A0A077Z970_TRITR Loading...

Dihydrolipoyl dehydrogenase

AlphaFold DB , UniProt , Accession A0A077Z970, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 469 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
1M34.3Very low66Low247 Ų24782.9 Ų82.9100%1.21748%0.475SS*.  0101.40-74.7179.5179.700107.5S3M1-S3 PolarHBondContact O-N 3.22Å
2L28.4Very low68.7Low185 Ų18576 Ų7697%0.96944%0.435SS*.  trans-75.6103.2172.7-77.4151.7000106.9S4L2-S4 PolarHBondContact O-N 2.8Å; L2-S4 VanDerWaalsContact O-N 3.14Å
3S33.6Very low71Confident110 Ų11070.9 Ų70.977%0.76941%0.406SS*.  trans-65.2113.717166.10000107.5M1 T5M1-S3 PolarHBondContact O-N 3.22Å; S3-T5 PolarHBondContact O-N 3.01Å
4S40.2Very low73Confident97 Ų9766.6 Ų66.668%0.67839%0.385SS*.  trans-61.6101.9175.953.70000109.2L2 S6L2-S4 PolarHBondContact O-N 2.8Å; L2-S4 VanDerWaalsContact O-N 3.14Å; S4-S6 PolarHBondContact O-N 3.13Å
5T50Low74.7Confident88 Ų8862.2 Ų62.254%0.5436%0.359SS..  trans-63.682.7157.244.20000106.4S3 D7S3-T5 PolarHBondContact O-N 3.01Å; T5-D7 PolarHBondContact O-N 3.37Å
6S59.9Low76.2Confident35 Ų3559.1 Ų59.125%0.24534%0.344CS..  trans-83.2102.6-176.195.80000105.8S4 V8 K32S4-S6 PolarHBondContact O-N 3.13Å; S6-V8 PolarHBondContact O-N 2.9Å; S6-K32 PolarHBondContact OG-NZ 3.04Å
7D86.7Confident77.6Confident106 Ų10656.4 Ų56.457%0.56733%0.329SS*.  trans-51.3130.6174.7-68.1-31.3000108.9T5 K32 K140T5-D7 PolarHBondContact O-N 3.37Å; D7-K32 WeakPolarHBondContact O-CD 3.22Å; D7-K32 PolarHBondContact O-NZ 2.94Å; D7-K140 WeakPolarHBondContact OD1-CB 3.31Å
8V96.8Very high78.7Confident3 Ų353.4 Ų53.42%0.01831%0.313CS..EExtended strand (participates in β ladder)trans-116.9148.1178.1-65.90000110S6 I10 V11 K32 A34 K140 T141 K142S6-V8 PolarHBondContact O-N 2.9Å; V8-I10 VanDerWaalsContact C-N 3.32Å; V8-V11 HydrophobicContact CG2-CG2 3.51Å; V8-K32 WeakPolarHBondContact CB-O 3.42Å; V8-K32 HydrophobicContact CG1-CD 4.24Å; V8-K32 HydrophobicContact CG1-CG 4.15Å; V8-A34 HydrophobicContact CG1-CB 4.38Å; V8-A34 HydrophobicContact CG2-CB 4.45Å; V8-K140 PolarHBondContact N-O 2.9Å; V8-K140 VanDerWaalsContact N-O 3.14Å; V8-T141 WeakPolarHBondContact O-CA 3.37Å; V8-T141 WeakPolarHBondContact O-CB 3.5Å; V8-T141 PolarHBondContact O-OG1 2.86Å; V8-K142 PolarHBondContact O-N 3.35Å
9D98.3Very high79.8Confident41 Ų4150.6 Ų50.622%0.21930%0.297CS..EExtended strand (participates in β ladder)trans-72.7-30.6179.6-64.2-56.1000111.8M31 K32 K142 N143D9-M31 HydrophobicContact CB-CB 3.93Å; D9-M31 HydrophobicContact CB-CG 4.43Å; D9-K32 PolarHBondContact N-O 2.65Å; D9-K32 WeakPolarHBondContact OD2-CB 3.47Å; D9-K32 PolarHBondContact OD2-N 2.83Å; D9-K142 WeakPolarHBondContact O-CB 3.4Å; D9-K142 WeakPolarHBondContact OD1-CE 3.09Å; D9-K142 IonicContact OD1-NZ 2.72Å; D9-K142 PolarHBondContact OD1-NZ 3Å; D9-N143 PolarHBondContact O-N 3.26Å; D9-N143 VanDerWaalsContact O-N 3.11Å; D9-N143 PolarHBondContact O-ND2 2.86Å; D9-N143 VanDerWaalsContact O-ND2 3.09Å
10I98.8Very high80.8Confident0 Ų049.8 Ų49.80%029%0.288CS..EExtended strand (participates in β ladder)trans-148.5138.8177.2-170.9170000112.2V8 V12 A26 M31 K32 T33 A34 T141 N143 L145 V339 I342V8-I10 VanDerWaalsContact C-N 3.32Å; I10-V12 HydrophobicContact CD1-CG2 4.48Å; I10-V12 HydrophobicContact CG1-CG2 4.43Å; I10-A26 HydrophobicContact CG2-CB 3.92Å; I10-M31 HydrophobicContact CG2-CB 4.26Å; I10-M31 HydrophobicContact CG2-SD 4.33Å; I10-K32 PolarHBondContact N-O 2.71Å; I10-T33 HydrophobicContact CG2-CG2 3.79Å; I10-T33 WeakPolarHBondContact CG2-OG1 3.31Å; I10-A34 PolarHBondContact O-N 2.95Å; I10-T141 WeakPolarHBondContact CA-OG1 3.37Å; I10-T141 PolarHBondContact N-OG1 2.7Å; I10-N143 VanDerWaalsContact CA-O 3.31Å; I10-N143 WeakPolarHBondContact CA-O 3.32Å; I10-N143 HydrophobicContact CB-CB 4.36Å; I10-N143 HydrophobicContact CG1-CB 4.15Å; I10-L145 HydrophobicContact CD1-CB 4.09Å; I10-L145 HydrophobicContact CG1-CB 4.49Å; I10-V339 HydrophobicContact CD1-CG1 4.17Å; I10-I342 HydrophobicContact CD1-CD1 3.92Å
11V98.8Very high81.6Confident0 Ų048.6 Ų48.60%028%0.282CS..EExtended strand (participates in β ladder)trans-110.3120.9165.3177.20000109V8 I13 A34 V36 V127 L139 T141 N143 I144 L145V8-V11 HydrophobicContact CG2-CG2 3.51Å; V11-I13 HydrophobicContact CG1-CG1 4.3Å; V11-A34 CarbonylContact C-O 3.58Å; V11-A34 WeakPolarHBondContact CA-O 3.28Å; V11-A34 HydrophobicContact CG2-CB 4.43Å; V11-V36 HydrophobicContact CG1-CG2 3.98Å; V11-V127 HydrophobicContact CB-CG2 4.3Å; V11-V127 HydrophobicContact CG1-CB 4.32Å; V11-V127 HydrophobicContact CG1-CG1 4.41Å; V11-V127 HydrophobicContact CG1-CG2 4.05Å; V11-L139 HydrophobicContact CG1-CD1 4.37Å; V11-L139 HydrophobicContact CG2-CB 4.13Å; V11-L139 HydrophobicContact CG2-CD1 4.18Å; V11-T141 HydrophobicContact CB-CG2 4.2Å; V11-T141 HydrophobicContact CG2-CG2 3.8Å; V11-T141 PolarHBondContact N-OG1 3Å; V11-N143 PolarHBondContact N-O 2.69Å; V11-I144 WeakPolarHBondContact O-CA 3.31Å; V11-L145 PolarHBondContact O-N 2.96Å
12V98.9Very high84.7Confident0 Ų036.8 Ų36.80%022%0.224CC..EExtended strand (participates in β ladder)trans-95.7127171.3-172.40000109.4I10 A23 A34 C35 V36 L145 A147I10-V12 HydrophobicContact CD1-CG2 4.48Å; I10-V12 HydrophobicContact CG1-CG2 4.43Å; V12-A23 HydrophobicContact CB-CB 4.39Å; V12-A23 HydrophobicContact CG2-CB 3.95Å; V12-A34 PolarHBondContact N-O 3.16Å; V12-C35 HydrophobicContact CB-CB 4.5Å; V12-C35 CarbonylContact O-C 3.59Å; V12-C35 WeakPolarHBondContact O-CA 3.36Å; V12-V36 PolarHBondContact O-N 3.38Å; V12-L145 CarbonylContact C-O 3.58Å; V12-L145 WeakPolarHBondContact CA-O 3.47Å; V12-L145 HydrophobicContact CG1-CD2 4.31Å; V12-L145 HydrophobicContact CG1-CG 4.4Å; V12-L145 HydrophobicContact CG2-CB 4.3Å; V12-L145 HydrophobicContact CG2-CD2 4.2Å; V12-A147 HydrophobicContact CG1-CB 4.32Å
13I98.9Very high88.1Confident10 Ų1028 Ų285%0.05118%0.178CC..EExtended strand (participates in β ladder)trans-104109.4179.1-58.8173.5000109.1V11 A119 I121 V127 I144 L145 A147 S148 L287V11-I13 HydrophobicContact CG1-CG1 4.3Å; I13-A119 HydrophobicContact CB-CB 4.41Å; I13-A119 HydrophobicContact CD1-CB 4.01Å; I13-A119 HydrophobicContact CG1-CB 3.87Å; I13-A119 HydrophobicContact CG2-CB 3.8Å; I13-I121 HydrophobicContact CD1-CD1 4.12Å; I13-I121 HydrophobicContact CD1-CG1 3.75Å; I13-V127 HydrophobicContact CD1-CG1 4.29Å; I13-V127 HydrophobicContact CD1-CG2 4.21Å; I13-I144 HydrophobicContact CD1-CG2 3.79Å; I13-I144 HydrophobicContact CG1-CG2 4.39Å; I13-L145 PolarHBondContact N-O 2.85Å; I13-A147 CarbonylContact O-C 3.59Å; I13-A147 VanDerWaalsContact O-CA 3.32Å; I13-A147 WeakPolarHBondContact O-CA 3.37Å; I13-A147 PolarHBondContact O-N 2.79Å; I13-S148 PolarHBondContact O-N 3.45Å; I13-L287 HydrophobicContact CG2-CD2 4.11Å
14G98.8Very high91.2Very high11 Ų1123.7 Ų23.711%0.11315%0.146CC..  trans102.8137.6-176.100000112.4G19 V36G14-G19 WeakPolarHBondContact O-CA 3.33Å; G14-V36 WeakPolarHBondContact CA-O 3.4Å; G14-V36 PolarHBondContact N-O 2.99Å
15S98.8Very high94Very high0 Ų021.3 Ų21.30%012%0.123CC..  trans-11324.6-176.973.80000114Y20 E37 L42 G43 G44S15-Y20 WeakPolarHBondContact O-CD1 3.31Å; S15-E37 WeakPolarHBondContact CB-OE2 3.34Å; S15-E37 PolarHBondContact N-OE2 2.97Å; S15-E37 VanDerWaalsContact OG-CD 3.29Å; S15-E37 VanDerWaalsContact OG-CG 3.27Å; S15-E37 WeakPolarHBondContact OG-CG 3.43Å; S15-E37 PolarHBondContact OG-OE2 3.26Å; S15-L42 VanDerWaalsContact CB-CD2 3.5Å; S15-L42 WeakPolarHBondContact OG-CA 3.41Å; S15-G43 CarbonylContact O-C 3.56Å; S15-G43 WeakPolarHBondContact O-CA 2.87Å; S15-G43 PolarHBondContact O-N 2.82Å; S15-G43 PolarHBondContact OG-N 3.01Å; S15-G44 PolarHBondContact O-N 3.17Å
16G98.8Very high96.3Very high12 Ų1217.1 Ų17.112%0.12410%0.098CC..SBendtrans-64.1178.1168.200000112.6G18 G19 Y20G16-G18 VanDerWaalsContact C-N 3.35Å; G16-G18 PolarHBondContact O-N 3.12Å; G16-G19 PolarHBondContact O-N 3.3Å; G16-Y20 WeakPolarHBondContact O-CD1 3.44Å; G16-Y20 PolarHBondContact O-N 2.8Å
17P98.8Very high98.1Very high13 Ų1316.5 Ų16.58%0.0849%0.094CC..Hα-helixtrans-41.6-55.4179.2-3236.9000114.2G19 Y20 V21 C46 A328 E332P17-G19 PolarHBondContact O-N 2.6Å; P17-Y20 VanDerWaalsContact CA-CE1 3.5Å; P17-Y20 HydrophobicContact CB-CE1 4.48Å; P17-V21 VanDerWaalsContact O-CB 3.27Å; P17-V21 WeakPolarHBondContact O-CB 3.37Å; P17-V21 VanDerWaalsContact O-CG2 3.23Å; P17-V21 WeakPolarHBondContact O-CG2 3.19Å; P17-V21 PolarHBondContact O-N 3.5Å; P17-C46 HydrophobicContact CG-CB 3.49Å; P17-C46 VanDerWaalsContact CG-CB 3.49Å; P17-A328 HydrophobicContact CB-CB 4.11Å; P17-A328 HydrophobicContact CG-CB 3.89Å; P17-E332 HydrophobicContact CB-CG 3.63Å
18G98.8Very high98.7Very high3 Ų317.2 Ų17.23%0.0319%0.094CC..Hα-helixtrans-63.4-41.4177.300000114.4G16 A22 A331G16-G18 VanDerWaalsContact C-N 3.35Å; G16-G18 PolarHBondContact O-N 3.12Å; G18-A22 WeakPolarHBondContact O-CB 3.4Å; G18-A22 PolarHBondContact O-N 2.94Å; G18-A331 VanDerWaalsContact CA-C 3.42Å; G18-A331 WeakPolarHBondContact CA-O 3.05Å
19G98.9Very high98.8Very high1 Ų119.5 Ų19.51%0.0111%0.106CC..Hα-helixtrans-69-51.8-176.400000113.6G14 G16 P17 V21 A22 A23 A147G14-G19 WeakPolarHBondContact O-CA 3.33Å; G16-G19 PolarHBondContact O-N 3.3Å; P17-G19 PolarHBondContact O-N 2.6Å; G19-V21 PolarHBondContact O-N 3.25Å; G19-A22 PolarHBondContact O-N 3.35Å; G19-A23 WeakPolarHBondContact O-CB 3.42Å; G19-A23 PolarHBondContact O-N 3.48Å; G19-A147 VanDerWaalsContact CA-CB 3.48Å
20Y98.8Very high98.8Very high33 Ų3320.7 Ų20.713%0.12913%0.128CC..Hα-helixtrans-69.9-34.8-177.385.6-105.5000111.8S15 G16 P17 I24 V103 E332S15-Y20 WeakPolarHBondContact O-CD1 3.31Å; G16-Y20 WeakPolarHBondContact O-CD1 3.44Å; G16-Y20 PolarHBondContact O-N 2.8Å; P17-Y20 VanDerWaalsContact CA-CE1 3.5Å; P17-Y20 HydrophobicContact CB-CE1 4.48Å; Y20-I24 HydrophobicContact CD2-CD1 3.94Å; Y20-I24 HydrophobicContact CE2-CD1 4.48Å; Y20-I24 VanDerWaalsContact O-CG1 3.31Å; Y20-I24 WeakPolarHBondContact O-CG1 3.44Å; Y20-I24 PolarHBondContact O-N 3.22Å; Y20-I24 VanDerWaalsContact O-N 3.09Å; Y20-V103 HydrophobicContact CD1-CG1 4.39Å; Y20-V103 HydrophobicContact CD2-CG1 3.88Å; Y20-V103 HydrophobicContact CD2-CG2 4.41Å; Y20-V103 HydrophobicContact CE2-CG2 4.37Å; Y20-V103 HydrophobicContact CG-CG1 3.8Å; Y20-E332 PolarHBondContact OH-OE1 2.74Å
21V98.9Very high98.8Very high25 Ų2521.7 Ų21.715%0.15213%0.133CC..Hα-helixtrans-67.2-45.7174.8172.90000110.7P17 G19 A23 I24 K25 E332 I336P17-V21 VanDerWaalsContact O-CB 3.27Å; P17-V21 WeakPolarHBondContact O-CB 3.37Å; P17-V21 VanDerWaalsContact O-CG2 3.23Å; P17-V21 WeakPolarHBondContact O-CG2 3.19Å; P17-V21 PolarHBondContact O-N 3.5Å; G19-V21 PolarHBondContact O-N 3.25Å; V21-A23 VanDerWaalsContact C-N 3.33Å; V21-A23 PolarHBondContact O-N 2.98Å; V21-I24 PolarHBondContact O-N 3.42Å; V21-K25 WeakPolarHBondContact O-CB 2.88Å; V21-K25 PolarHBondContact O-N 3.01Å; V21-E332 HydrophobicContact CB-CG 4.43Å; V21-E332 HydrophobicContact CG1-CB 4.44Å; V21-E332 HydrophobicContact CG2-CB 4.33Å; V21-E332 HydrophobicContact CG2-CG 3.85Å; V21-I336 HydrophobicContact CG1-CD1 3.91Å; V21-I336 HydrophobicContact CG1-CG1 3.6Å
22A98.9Very high98.7Very high0 Ų026 Ų260%015%0.152CC..Hα-helixtrans-59.3-43.2175.400000112.1G18 G19 I24 K25 A26 L145 I318 V339G18-A22 WeakPolarHBondContact O-CB 3.4Å; G18-A22 PolarHBondContact O-N 2.94Å; G19-A22 PolarHBondContact O-N 3.35Å; A22-I24 PolarHBondContact O-N 3.18Å; A22-K25 PolarHBondContact O-N 3.03Å; A22-A26 VanDerWaalsContact O-CB 3.29Å; A22-A26 WeakPolarHBondContact O-CB 3.06Å; A22-A26 PolarHBondContact O-N 3.23Å; A22-L145 HydrophobicContact CB-CD2 3.41Å; A22-L145 VanDerWaalsContact CB-CD2 3.41Å; A22-I318 HydrophobicContact CB-CD1 4.24Å; A22-V339 HydrophobicContact CB-CG1 4.02Å
23A98.9Very high98.7Very high0 Ų026.2 Ų26.20%015%0.153CC..Hα-helixtrans-62.4-43178.700000112.3V12 G19 V21 A27 T33 C35 F107 V112V12-A23 HydrophobicContact CB-CB 4.39Å; V12-A23 HydrophobicContact CG2-CB 3.95Å; G19-A23 WeakPolarHBondContact O-CB 3.42Å; G19-A23 PolarHBondContact O-N 3.48Å; V21-A23 VanDerWaalsContact C-N 3.33Å; V21-A23 PolarHBondContact O-N 2.98Å; A23-A27 PolarHBondContact O-N 2.96Å; A23-A27 VanDerWaalsContact O-N 3.16Å; A23-T33 HydrophobicContact CB-CG2 3.95Å; A23-T33 WeakPolarHBondContact O-CG2 3.28Å; A23-C35 HydrophobicContact CB-CB 4.08Å; A23-F107 HydrophobicContact CB-CE1 4.28Å; A23-F107 HydrophobicContact CB-CZ 4.22Å; A23-V112 HydrophobicContact CB-CG1 4.04Å; A23-V112 HydrophobicContact CB-CG2 4.46Å; A23-V112 WeakPolarHBondContact O-CG2 3.47Å
24I98.9Very high98.7Very high20 Ų2025.7 Ų25.710%0.10315%0.15CC..Hα-helixtrans-63.1-49.1175.3-72.2165.8000110.3Y20 V21 A22 A26 A27 Q28 L106 F107Y20-I24 HydrophobicContact CD2-CD1 3.94Å; Y20-I24 HydrophobicContact CE2-CD1 4.48Å; Y20-I24 VanDerWaalsContact O-CG1 3.31Å; Y20-I24 WeakPolarHBondContact O-CG1 3.44Å; Y20-I24 PolarHBondContact O-N 3.22Å; Y20-I24 VanDerWaalsContact O-N 3.09Å; V21-I24 PolarHBondContact O-N 3.42Å; A22-I24 PolarHBondContact O-N 3.18Å; I24-A26 PolarHBondContact O-N 2.98Å; I24-A27 PolarHBondContact O-N 3.21Å; I24-Q28 HydrophobicContact CG2-CG 4.48Å; I24-Q28 WeakPolarHBondContact O-CG 3.24Å; I24-Q28 PolarHBondContact O-N 3.31Å; I24-L106 HydrophobicContact CD1-CB 3.8Å; I24-L106 HydrophobicContact CD1-CD1 4.24Å; I24-F107 HydrophobicContact CD1-CD1 4.2Å; I24-F107 HydrophobicContact CD1-CE1 4.25Å; I24-F107 HydrophobicContact CG1-CD1 3.91Å; I24-F107 HydrophobicContact CG1-CE1 3.99Å
25K98.8Very high98.7Very high47 Ų4725.2 Ų25.220%0.20415%0.145CC..Hα-helixtrans-64.4-40.8-177.9-178.168.5-179.5-159.70111.9V21 A22 A27 Q28 L29 I336 V339 E340V21-K25 WeakPolarHBondContact O-CB 2.88Å; V21-K25 PolarHBondContact O-N 3.01Å; A22-K25 PolarHBondContact O-N 3.03Å; K25-A27 VanDerWaalsContact C-N 3.34Å; K25-A27 PolarHBondContact O-N 2.74Å; K25-Q28 WeakPolarHBondContact O-CB 3Å; K25-Q28 PolarHBondContact O-N 2.95Å; K25-L29 HydrophobicContact CG-CD1 4.32Å; K25-L29 WeakPolarHBondContact O-CG 3.33Å; K25-L29 PolarHBondContact O-N 2.91Å; K25-I336 HydrophobicContact CD-CG2 4.37Å; K25-I336 HydrophobicContact CG-CG2 4.27Å; K25-V339 HydrophobicContact CB-CG2 3.76Å; K25-V339 HydrophobicContact CG-CG2 3.46Å; K25-V339 VanDerWaalsContact CG-CG2 3.46Å; K25-E340 WeakPolarHBondContact CE-OE1 3.4Å; K25-E340 IonicContact NZ-OE1 2.63Å; K25-E340 PolarHBondContact NZ-OE1 3.03Å
26A98.8Very high98.7Very high0 Ų025.3 Ų25.30%015%0.146CC..Hα-helixtrans-59.3-44.6174.400000111.8I10 A22 I24 Q28 L29 G30 M31 T33 V339I10-A26 HydrophobicContact CG2-CB 3.92Å; A22-A26 VanDerWaalsContact O-CB 3.29Å; A22-A26 WeakPolarHBondContact O-CB 3.06Å; A22-A26 PolarHBondContact O-N 3.23Å; I24-A26 PolarHBondContact O-N 2.98Å; A26-Q28 VanDerWaalsContact C-N 3.33Å; A26-Q28 PolarHBondContact O-N 2.85Å; A26-L29 CarbonylContact O-C 3.5Å; A26-L29 PolarHBondContact O-N 2.96Å; A26-L29 VanDerWaalsContact O-N 3.13Å; A26-G30 PolarHBondContact O-N 2.79Å; A26-M31 HydrophobicContact CB-CB 4.29Å; A26-M31 HydrophobicContact CB-SD 3.98Å; A26-M31 VanDerWaalsContact O-CB 3.31Å; A26-M31 WeakPolarHBondContact O-CB 3.37Å; A26-M31 PolarHBondContact O-N 2.88Å; A26-T33 HydrophobicContact CB-CG2 4.37Å; A26-V339 HydrophobicContact CB-CB 4.17Å; A26-V339 HydrophobicContact CB-CG1 4.06Å
27A98.7Very high98.7Very high21 Ų2125.3 Ų25.317%0.17414%0.143CC..Hα-helixtrans-63.6-38.2175.800000112.6A23 I24 K25 L29 G30 N110 V112A23-A27 PolarHBondContact O-N 2.96Å; A23-A27 VanDerWaalsContact O-N 3.16Å; I24-A27 PolarHBondContact O-N 3.21Å; K25-A27 VanDerWaalsContact C-N 3.34Å; K25-A27 PolarHBondContact O-N 2.74Å; A27-L29 VanDerWaalsContact C-N 3.27Å; A27-L29 PolarHBondContact O-N 3.48Å; A27-G30 PolarHBondContact O-N 3.43Å; A27-N110 HydrophobicContact CB-CB 4.28Å; A27-N110 VanDerWaalsContact CB-O 3.31Å; A27-N110 WeakPolarHBondContact CB-O 3.49Å; A27-V112 HydrophobicContact CB-CG2 3.83Å
28Q98.7Very high98.6Very high121 Ų12128.6 Ų28.657%0.56516%0.155SC*.Hα-helixtrans-64.4-30.7173.4-70.6173.2-6.500112.9I24 K25 A26 G30 N110I24-Q28 HydrophobicContact CG2-CG 4.48Å; I24-Q28 WeakPolarHBondContact O-CG 3.24Å; I24-Q28 PolarHBondContact O-N 3.31Å; K25-Q28 WeakPolarHBondContact O-CB 3Å; K25-Q28 PolarHBondContact O-N 2.95Å; A26-Q28 VanDerWaalsContact C-N 3.33Å; A26-Q28 PolarHBondContact O-N 2.85Å; Q28-G30 PolarHBondContact O-N 2.8Å; Q28-N110 WeakPolarHBondContact CG-OD1 3.49Å; Q28-N110 PolarHBondContact NE2-OD1 2.92Å
29L98.6Very high98.6Very high52 Ų5231.5 Ų31.527%0.27217%0.17SC..THydrogen-bonded Turntrans-79.14.2172.9-65.9170.8000113.1K25 A26 A27 V339 E340 N343K25-L29 HydrophobicContact CG-CD1 4.32Å; K25-L29 WeakPolarHBondContact O-CG 3.33Å; K25-L29 PolarHBondContact O-N 2.91Å; A26-L29 CarbonylContact O-C 3.5Å; A26-L29 PolarHBondContact O-N 2.96Å; A26-L29 VanDerWaalsContact O-N 3.13Å; A27-L29 VanDerWaalsContact C-N 3.27Å; A27-L29 PolarHBondContact O-N 3.48Å; L29-V339 HydrophobicContact CD1-CG2 4.12Å; L29-E340 HydrophobicContact CD1-CG 4.02Å; L29-N343 HydrophobicContact CD1-CB 4.13Å
30G98Very high98.4Very high65 Ų6536.7 Ų36.767%0.6720%0.198SC*.THydrogen-bonded Turntrans89.65.7175.800000114.9A26 A27 Q28A26-G30 PolarHBondContact O-N 2.79Å; A27-G30 PolarHBondContact O-N 3.43Å; Q28-G30 PolarHBondContact O-N 2.8Å
31M98.5Very high98.4Very high21 Ų2137.9 Ų37.910%0.10321%0.209CC..  trans-77.4131.7177.6-58.7-178.5-174.100110.8D9 I10 A26 T33 I342 N343D9-M31 HydrophobicContact CB-CB 3.93Å; D9-M31 HydrophobicContact CB-CG 4.43Å; I10-M31 HydrophobicContact CG2-CB 4.26Å; I10-M31 HydrophobicContact CG2-SD 4.33Å; A26-M31 HydrophobicContact CB-CB 4.29Å; A26-M31 HydrophobicContact CB-SD 3.98Å; A26-M31 VanDerWaalsContact O-CB 3.31Å; A26-M31 WeakPolarHBondContact O-CB 3.37Å; A26-M31 PolarHBondContact O-N 2.88Å; M31-T33 PolarHBondContact O-N 2.86Å; M31-T33 VanDerWaalsContact O-N 3.1Å; M31-T33 PolarHBondContact O-OG1 2.68Å; M31-I342 HydrophobicContact CE-CB 4.18Å; M31-I342 HydrophobicContact CE-CG2 3.71Å; M31-I342 HydrophobicContact SD-CG2 4.27Å; M31-N343 HydrophobicContact CE-CB 3.63Å
32K98.4Very high98.4Very high91 Ų9137 Ų3740%0.39620%0.203SC..  trans-68.4110.5167.9-171.2-178.5169.6-156.10108.8S6 D7 V8 D9 I10S6-K32 PolarHBondContact OG-NZ 3.04Å; D7-K32 WeakPolarHBondContact O-CD 3.22Å; D7-K32 PolarHBondContact O-NZ 2.94Å; V8-K32 WeakPolarHBondContact CB-O 3.42Å; V8-K32 HydrophobicContact CG1-CD 4.24Å; V8-K32 HydrophobicContact CG1-CG 4.15Å; D9-K32 PolarHBondContact N-O 2.65Å; D9-K32 WeakPolarHBondContact OD2-CB 3.47Å; D9-K32 PolarHBondContact OD2-N 2.83Å; I10-K32 PolarHBondContact N-O 2.71Å
33T98.7Very high98.4Very high4 Ų437 Ų373%0.02520%0.203CC..EExtended strand (participates in β ladder)trans-118.5131.2-164-59.60000112.1I10 A23 A26 M31 V112 Q113I10-T33 HydrophobicContact CG2-CG2 3.79Å; I10-T33 WeakPolarHBondContact CG2-OG1 3.31Å; A23-T33 HydrophobicContact CB-CG2 3.95Å; A23-T33 WeakPolarHBondContact O-CG2 3.28Å; A26-T33 HydrophobicContact CB-CG2 4.37Å; M31-T33 PolarHBondContact O-N 2.86Å; M31-T33 VanDerWaalsContact O-N 3.1Å; M31-T33 PolarHBondContact O-OG1 2.68Å; T33-V112 HydrophobicContact CG2-CG1 4.3Å; T33-V112 HydrophobicContact CG2-CG2 4.48Å; T33-Q113 PolarHBondContact O-N 3.35Å
34A98.6Very high98.3Very high0 Ų037.4 Ų37.40%021%0.207CC..EExtended strand (participates in β ladder)trans-113.4142.8167.100000110.6V8 I10 V11 V12 Q113 I115V8-A34 HydrophobicContact CG1-CB 4.38Å; V8-A34 HydrophobicContact CG2-CB 4.45Å; I10-A34 PolarHBondContact O-N 2.95Å; V11-A34 CarbonylContact C-O 3.58Å; V11-A34 WeakPolarHBondContact CA-O 3.28Å; V11-A34 HydrophobicContact CG2-CB 4.43Å; V12-A34 PolarHBondContact N-O 3.16Å; A34-Q113 CarbonylContact C-O 3.59Å; A34-Q113 WeakPolarHBondContact CA-O 3.37Å; A34-Q113 HydrophobicContact CB-CB 4.23Å; A34-I115 HydrophobicContact CB-CD1 4.19Å
35C98.8Very high98.3Very high0 Ų038.6 Ų38.60%022%0.215CC..EExtended strand (participates in β ladder)trans-124.2126.2173.6-175.80000109.1V12 A23 F107 V112 Q113 H114 I115V12-C35 HydrophobicContact CB-CB 4.5Å; V12-C35 CarbonylContact O-C 3.59Å; V12-C35 WeakPolarHBondContact O-CA 3.36Å; A23-C35 HydrophobicContact CB-CB 4.08Å; C35-F107 HydrophobicContact CB-CE2 3.63Å; C35-F107 HydrophobicContact CB-CZ 3.84Å; C35-V112 HydrophobicContact CB-CG1 3.92Å; C35-Q113 PolarHBondContact N-O 2.84Å; C35-H114 WeakPolarHBondContact O-CA 3.16Å; C35-I115 PolarHBondContact O-N 2.93Å
36V98.6Very high98.3Very high3 Ų337.2 Ų37.22%0.01821%0.211CC..EExtended strand (participates in β ladder)trans-105.4128.5-179.2-171.70000110V11 V12 G14 I115 G117 A119 V129 L139V11-V36 HydrophobicContact CG1-CG2 3.98Å; V12-V36 PolarHBondContact O-N 3.38Å; G14-V36 WeakPolarHBondContact CA-O 3.4Å; G14-V36 PolarHBondContact N-O 2.99Å; V36-I115 VanDerWaalsContact CA-O 3.29Å; V36-I115 WeakPolarHBondContact CA-O 3.46Å; V36-I115 HydrophobicContact CG2-CB 4.35Å; V36-G117 WeakPolarHBondContact CG1-O 2.89Å; V36-A119 HydrophobicContact CB-CB 4.08Å; V36-A119 HydrophobicContact CG1-CB 3.79Å; V36-A119 HydrophobicContact CG2-CB 4.43Å; V36-V129 HydrophobicContact CG1-CB 4.47Å; V36-V129 HydrophobicContact CG1-CG1 3.69Å; V36-V129 HydrophobicContact CG1-CG2 3.94Å; V36-V129 HydrophobicContact CG2-CG2 3.8Å; V36-L139 HydrophobicContact CG2-CD1 4.13Å
37E98.5Very high98.2Very high12 Ų1237.9 Ų37.96%0.05621%0.214CC..EExtended strand (participates in β ladder)trans-133.4132.5176.617753.5-105.300110.1S15 D39 L42 I115 Q116 G117S15-E37 WeakPolarHBondContact CB-OE2 3.34Å; S15-E37 PolarHBondContact N-OE2 2.97Å; S15-E37 VanDerWaalsContact OG-CD 3.29Å; S15-E37 VanDerWaalsContact OG-CG 3.27Å; S15-E37 WeakPolarHBondContact OG-CG 3.43Å; S15-E37 PolarHBondContact OG-OE2 3.26Å; E37-D39 HydrophobicContact CG-CB 4.26Å; E37-D39 WeakPolarHBondContact OE1-CB 3.02Å; E37-D39 PolarHBondContact OE1-N 3.08Å; E37-L42 HydrophobicContact CB-CD2 4Å; E37-L42 HydrophobicContact CG-CD2 4.35Å; E37-I115 PolarHBondContact N-O 2.84Å; E37-I115 VanDerWaalsContact N-O 3.13Å; E37-Q116 CarbonylContact O-C 3.6Å; E37-Q116 VanDerWaalsContact O-CA 3.25Å; E37-Q116 WeakPolarHBondContact O-CA 3.48Å; E37-G117 CarbonylContact C-O 3.46Å; E37-G117 VanDerWaalsContact C-O 3.31Å; E37-G117 PolarHBondContact O-N 3.23Å
38K97.6Very high98.2Very high82 Ų8238.5 Ų38.536%0.35722%0.215SC..  trans-85.3-27.8-179.665.8176.2-178.363.50112.4G117 H118 R132K38-G117 VanDerWaalsContact CA-O 3.29Å; K38-G117 WeakPolarHBondContact CA-O 3.41Å; K38-G117 PolarHBondContact N-O 3.3Å; K38-H118 HydrophobicContact CB-CB 4.49Å; K38-R132 PolarHBondContact O-NH2 2.68Å
39D97.2Very high98.2Very high63 Ų6335.1 Ų35.134%0.33720%0.203SC..SBendtrans-75.8171.7-177.3-65.5-13.5000111.6E37 T41 Q116E37-D39 HydrophobicContact CG-CB 4.26Å; E37-D39 WeakPolarHBondContact OE1-CB 3.02Å; E37-D39 PolarHBondContact OE1-N 3.08Å; D39-T41 VanDerWaalsContact C-N 3.31Å; D39-Q116 PolarHBondContact O-NE2 3.15Å
40D96.2Very high98.1Very high111 Ų11133.6 Ų33.659%0.59420%0.199SC*.SBendtrans-71-27.9-178-78.5-63.7000113.9R132D40-R132 IonicContact OD1-CZ 2.74Å; D40-R132 IonicContact OD1-NH1 3.43Å; D40-R132 PolarHBondContact OD1-NH1 2.77Å; D40-R132 IonicContact OD1-NH2 3.24Å; D40-R132 PolarHBondContact OD1-NH2 3.41Å; D40-R132 VanDerWaalsContact OD1-NH2 3.07Å; D40-R132 IonicContact OD2-CZ 3.45Å; D40-R132 IonicContact OD2-NH1 3.93Å; D40-R132 PolarHBondContact OD2-NH1 2.75Å; D40-R132 IonicContact OD2-NH2 2.79Å; D40-R132 PolarHBondContact OD2-NH2 2.91Å
41T98Very high98.1Very high58 Ų5832.4 Ų32.436%0.35618%0.18SC..SBendtrans-135.6147.6-173.544.40000110.3D39 N48D39-T41 VanDerWaalsContact C-N 3.31Å; T41-N48 PolarHBondContact OG1-OD1 2.96Å
42L98.6Very high98.1Very high7 Ų733.7 Ų33.74%0.03719%0.187CC..SBendtrans-68.4168.8174-60.3171.1000111.3S15 E37 N48 T100 V103 A104 F107S15-L42 VanDerWaalsContact CB-CD2 3.5Å; S15-L42 WeakPolarHBondContact OG-CA 3.41Å; E37-L42 HydrophobicContact CB-CD2 4Å; E37-L42 HydrophobicContact CG-CD2 4.35Å; L42-N48 PolarHBondContact O-ND2 2.59Å; L42-N48 VanDerWaalsContact O-ND2 3.11Å; L42-T100 VanDerWaalsContact O-CG2 3.28Å; L42-T100 WeakPolarHBondContact O-CG2 3.4Å; L42-V103 HydrophobicContact CB-CB 4.1Å; L42-V103 HydrophobicContact CB-CG1 3.76Å; L42-V103 HydrophobicContact CD1-CB 4.47Å; L42-V103 HydrophobicContact CD1-CG1 3.92Å; L42-V103 HydrophobicContact CG-CG1 4.47Å; L42-A104 HydrophobicContact CD1-CB 4.16Å; L42-F107 HydrophobicContact CD1-CD2 3.61Å; L42-F107 HydrophobicContact CD1-CE2 3.73Å; L42-F107 HydrophobicContact CD1-CG 4.24Å; L42-F107 HydrophobicContact CD1-CZ 4.46Å; L42-F107 HydrophobicContact CD2-CE2 3.91Å; L42-F107 HydrophobicContact CG-CE2 4.47Å
43G98.5Very high98.1Very high0 Ų029.4 Ų29.40%017%0.168CC..SBendtrans102.6-6.4173.300000114.8S15 L47S15-G43 CarbonylContact O-C 3.56Å; S15-G43 WeakPolarHBondContact O-CA 2.87Å; S15-G43 PolarHBondContact O-N 2.82Å; S15-G43 PolarHBondContact OG-N 3.01Å; G43-L47 PolarHBondContact O-N 3.27Å
44G98.5Very high98.1Very high7 Ų729.6 Ų29.67%0.07217%0.17CC..Hα-helixtrans52.9-150.517600000114.2S15 C46 N48S15-G44 PolarHBondContact O-N 3.17Å; G44-C46 PolarHBondContact O-N 3.4Å; G44-N48 PolarHBondContact N-ND2 3.43Å; G44-N48 WeakPolarHBondContact O-CB 3.46Å; G44-N48 PolarHBondContact O-N 3.08Å; G44-N48 PolarHBondContact O-ND2 2.99Å
45T98.5Very high98.1Very high46 Ų4632.3 Ų32.328%0.28218%0.182SC..Hα-helixtrans-57.2-47.7-175.9-53.40000112.5L47 N48 V49 G50 R280T45-L47 PolarHBondContact O-N 3.14Å; T45-N48 PolarHBondContact O-N 3.16Å; T45-V49 HydrophobicContact CG2-CG2 4.02Å; T45-V49 CarbonylContact O-C 3.24Å; T45-V49 PolarHBondContact O-N 3.46Å; T45-G50 WeakPolarHBondContact O-CA 3.27Å; T45-G50 PolarHBondContact O-N 2.91Å; T45-R280 PolarHBondContact OG1-NH2 3.23Å
46C98.1Very high98.1Very high17 Ų1732.8 Ų32.812%0.11519%0.185CC..Hα-helixtrans-63-43-169.5-173.30000112.9P17 G44 G50 C51 I52 A328P17-C46 HydrophobicContact CG-CB 3.49Å; P17-C46 VanDerWaalsContact CG-CB 3.49Å; G44-C46 PolarHBondContact O-N 3.4Å; C46-G50 CarbonylContact O-C 3.59Å; C46-C51 VanDerWaalsContact CA-SG 3.51Å; C46-C51 HydrophobicContact CB-CB 4.25Å; C46-C51 WeakPolarHBondContact CB-SG 3.19Å; C46-C51 PolarHBondContact O-N 3.07Å; C46-C51 WeakPolarHBondContact SG-CB 3.38Å; C46-C51 CovalentContact SG-SG 2.05Å; C46-C51 PolarHBondContact SG-SG 3.27Å; C46-I52 PolarHBondContact O-N 3.21Å; C46-A328 HydrophobicContact CB-CB 4.41Å
47L97.7Very high98.1Very high14 Ų1432.7 Ų32.77%0.07319%0.185CC..Hα-helixtrans-78.8-40.5179.4-88.862.6000112.2G43 T45 I52 P53 V96 L99 T100 V103G43-L47 PolarHBondContact O-N 3.27Å; T45-L47 PolarHBondContact O-N 3.14Å; L47-I52 HydrophobicContact CD1-CG1 4.31Å; L47-I52 HydrophobicContact CG-CG1 4.16Å; L47-P53 WeakPolarHBondContact O-CD 3.34Å; L47-V96 WeakPolarHBondContact O-CG1 3.2Å; L47-V96 WeakPolarHBondContact O-CG2 3.36Å; L47-L99 HydrophobicContact CD2-CB 4.15Å; L47-L99 HydrophobicContact CG-CB 4.47Å; L47-T100 HydrophobicContact CB-CG2 4.16Å; L47-T100 HydrophobicContact CD2-CG2 4.36Å; L47-V103 HydrophobicContact CD2-CG2 3.71Å
48N98.5Very high98.1Very high34 Ų3432.4 Ų32.418%0.18218%0.184CC..Hα-helixtrans-88-42.9-168.7-64.9-76.5000113.4T41 L42 G44 T45 T100T41-N48 PolarHBondContact OG1-OD1 2.96Å; L42-N48 PolarHBondContact O-ND2 2.59Å; L42-N48 VanDerWaalsContact O-ND2 3.11Å; G44-N48 PolarHBondContact N-ND2 3.43Å; G44-N48 WeakPolarHBondContact O-CB 3.46Å; G44-N48 PolarHBondContact O-N 3.08Å; G44-N48 PolarHBondContact O-ND2 2.99Å; T45-N48 PolarHBondContact O-N 3.16Å; N48-T100 WeakPolarHBondContact OD1-CG2 3.24Å
49V98.1Very high98.1Very high51 Ų5132.8 Ų32.831%0.30919%0.189SC..THydrogen-bonded Turntrans-141.221.1-168.2-63.10000113.6T45 T169 L172T45-V49 HydrophobicContact CG2-CG2 4.02Å; T45-V49 CarbonylContact O-C 3.24Å; T45-V49 PolarHBondContact O-N 3.46Å; V49-T169 HydrophobicContact CB-CG2 4.36Å; V49-T169 HydrophobicContact CG1-CG2 3.92Å; V49-L172 WeakPolarHBondContact O-CD1 3.43Å
50G97.7Very high98.2Very high20 Ų2030.7 Ų30.721%0.20618%0.18CC..SBendtrans-137.9-114.8-172.500000112.9T45 C46 P53 S54T45-G50 WeakPolarHBondContact O-CA 3.27Å; T45-G50 PolarHBondContact O-N 2.91Å; C46-G50 CarbonylContact O-C 3.59Å; G50-P53 WeakPolarHBondContact O-CD 3.49Å; G50-P53 WeakPolarHBondContact O-CG 3.32Å; G50-S54 WeakPolarHBondContact O-CB 3.37Å; G50-S54 PolarHBondContact O-N 2.99Å; G50-S54 VanDerWaalsContact O-N 3.09Å; G50-S54 PolarHBondContact O-OG 2.9Å
51C97.3Very high98.3Very high40 Ų4025.4 Ų25.427%0.2715%0.152SC..Hα-helixtrans-53.7-59-171.7-33.60000113C46 S54 K55C46-C51 VanDerWaalsContact CA-SG 3.51Å; C46-C51 HydrophobicContact CB-CB 4.25Å; C46-C51 WeakPolarHBondContact CB-SG 3.19Å; C46-C51 PolarHBondContact O-N 3.07Å; C46-C51 WeakPolarHBondContact SG-CB 3.38Å; C46-C51 CovalentContact SG-SG 2.05Å; C46-C51 PolarHBondContact SG-SG 3.27Å; C51-S54 PolarHBondContact O-N 3.33Å; C51-S54 PolarHBondContact O-OG 3.49Å; C51-K55 WeakPolarHBondContact O-CB 3.29Å; C51-K55 WeakPolarHBondContact O-CD 3.49Å; C51-K55 PolarHBondContact O-N 2.92Å
52I98.2Very high98.3Very high47 Ų4725.7 Ų25.724%0.24115%0.146CC..Hα-helixtrans-60.9-52.4-173.2-60.8-54000111.9C46 L47 S54 K55 S56 A95 V96 L99C46-I52 PolarHBondContact O-N 3.21Å; L47-I52 HydrophobicContact CD1-CG1 4.31Å; L47-I52 HydrophobicContact CG-CG1 4.16Å; I52-S54 VanDerWaalsContact C-N 3.33Å; I52-S54 PolarHBondContact O-N 3.35Å; I52-K55 PolarHBondContact O-N 3.4Å; I52-S56 WeakPolarHBondContact O-CB 3.38Å; I52-S56 PolarHBondContact O-N 2.77Å; I52-A95 HydrophobicContact CG2-CB 4.49Å; I52-V96 HydrophobicContact CG2-CG2 4.04Å; I52-L99 HydrophobicContact CB-CD1 4.41Å; I52-L99 HydrophobicContact CD1-CD1 3.81Å; I52-L99 HydrophobicContact CG1-CD1 3.89Å; I52-L99 HydrophobicContact CG2-CD1 3.64Å
53P98.4Very high98.3Very high1 Ų129.1 Ų29.11%0.00616%0.164CC..Hα-helixtrans-63.6-3717923.1-33.2000112.6L47 G50 L57 K92 V96 L172L47-P53 WeakPolarHBondContact O-CD 3.34Å; G50-P53 WeakPolarHBondContact O-CD 3.49Å; G50-P53 WeakPolarHBondContact O-CG 3.32Å; P53-L57 WeakPolarHBondContact O-CG 2.95Å; P53-L57 PolarHBondContact O-N 3.38Å; P53-K92 HydrophobicContact CB-CD 3.69Å; P53-K92 HydrophobicContact CB-CG 3.77Å; P53-V96 HydrophobicContact CB-CG2 4.25Å; P53-L172 HydrophobicContact CB-CD1 4.06Å; P53-L172 HydrophobicContact CB-CD2 4.11Å; P53-L172 HydrophobicContact CG-CD1 3.77Å
54S98.1Very high98.2Very high8 Ų831.4 Ų31.46%0.05617%0.173CC..Hα-helixtrans-67.6-42.617879.50000112G50 C51 I52 S56 L57 L58 E192G50-S54 WeakPolarHBondContact O-CB 3.37Å; G50-S54 PolarHBondContact O-N 2.99Å; G50-S54 VanDerWaalsContact O-N 3.09Å; G50-S54 PolarHBondContact O-OG 2.9Å; C51-S54 PolarHBondContact O-N 3.33Å; C51-S54 PolarHBondContact O-OG 3.49Å; I52-S54 VanDerWaalsContact C-N 3.33Å; I52-S54 PolarHBondContact O-N 3.35Å; S54-S56 VanDerWaalsContact C-N 3.33Å; S54-S56 PolarHBondContact O-N 2.76Å; S54-L57 PolarHBondContact O-N 3.36Å; S54-L58 WeakPolarHBondContact O-CB 3.45Å; S54-L58 VanDerWaalsContact O-CG 3.32Å; S54-L58 WeakPolarHBondContact O-CG 3.42Å; S54-L58 PolarHBondContact O-N 3.48Å; S54-E192 PolarHBondContact OG-OE2 2.96Å
55K98.5Very high98.2Very high57 Ų5732.1 Ų32.125%0.24818%0.176CC..Hα-helixtrans-65.7-37.5179.1-8670.5-163.4160.90111.6C51 I52 L57 L58 N59 E192 Y359C51-K55 WeakPolarHBondContact O-CB 3.29Å; C51-K55 WeakPolarHBondContact O-CD 3.49Å; C51-K55 PolarHBondContact O-N 2.92Å; I52-K55 PolarHBondContact O-N 3.4Å; K55-L57 VanDerWaalsContact C-N 3.33Å; K55-L57 PolarHBondContact O-N 2.95Å; K55-L58 PolarHBondContact O-N 2.96Å; K55-N59 WeakPolarHBondContact O-CB 3.49Å; K55-N59 PolarHBondContact O-N 3.11Å; K55-E192 IonicContact NZ-OE1 3.23Å; K55-E192 PolarHBondContact NZ-OE1 3.21Å; K55-E192 IonicContact NZ-OE2 2.62Å; K55-E192 PolarHBondContact NZ-OE2 3.47Å; K55-Y359 HydrophobicContact CD-CD2 4.33Å; K55-Y359 HydrophobicContact CD-CG 4.29Å; K55-Y359 HydrophobicContact CG-CD1 4.18Å; K55-Y359 HydrophobicContact CG-CG 4.23Å; K55-Y359 VanDerWaalsContact NZ-CD2 3.28Å
56S98.7Very high98Very high11 Ų1131.7 Ų31.78%0.07717%0.17CC..Hα-helixtrans-59.3-43.8174.1-1520000112.3I52 S54 S60 Q91 K92I52-S56 WeakPolarHBondContact O-CB 3.38Å; I52-S56 PolarHBondContact O-N 2.77Å; S54-S56 VanDerWaalsContact C-N 3.33Å; S54-S56 PolarHBondContact O-N 2.76Å; S56-S60 WeakPolarHBondContact O-CB 3.33Å; S56-S60 PolarHBondContact O-N 2.92Å; S56-S60 VanDerWaalsContact O-N 3.11Å; S56-S60 PolarHBondContact O-OG 3.46Å; S56-Q91 PolarHBondContact OG-NE2 3.4Å; S56-Q91 PolarHBondContact OG-OE1 3.38Å; S56-K92 WeakPolarHBondContact OG-CA 3.38Å
57L98.8Very high98Very high1 Ų131.4 Ų31.41%0.00517%0.17CC..Hα-helixtrans-76.1-36.3178.8-66.2-179.1000112.7P53 S54 K55 S60 S61 M88 M89 K92 L172 V196P53-L57 WeakPolarHBondContact O-CG 2.95Å; P53-L57 PolarHBondContact O-N 3.38Å; S54-L57 PolarHBondContact O-N 3.36Å; K55-L57 VanDerWaalsContact C-N 3.33Å; K55-L57 PolarHBondContact O-N 2.95Å; L57-S60 PolarHBondContact O-N 3.32Å; L57-S61 WeakPolarHBondContact O-CB 3.49Å; L57-S61 PolarHBondContact O-N 3.41Å; L57-S61 PolarHBondContact O-OG 3Å; L57-M88 HydrophobicContact CD2-CG 3.92Å; L57-M88 HydrophobicContact CD2-SD 4.24Å; L57-M89 HydrophobicContact CD1-CE 4.1Å; L57-M89 HydrophobicContact CD1-SD 4.39Å; L57-M89 HydrophobicContact CD2-CE 4.18Å; L57-M89 HydrophobicContact CD2-SD 4.04Å; L57-K92 HydrophobicContact CD1-CD 4.19Å; L57-K92 HydrophobicContact CD2-CB 4.31Å; L57-K92 HydrophobicContact CD2-CD 4.41Å; L57-K92 HydrophobicContact CG-CD 4.18Å; L57-K92 HydrophobicContact CG-CG 4.39Å; L57-L172 HydrophobicContact CD1-CD2 3.92Å; L57-V196 HydrophobicContact CB-CG1 3.85Å; L57-V196 HydrophobicContact CB-CG2 4.04Å; L57-V196 HydrophobicContact CD1-CG1 4.5Å
58L98.8Very high97.8Very high6 Ų635.6 Ų35.63%0.03119%0.187CC..Hα-helixtrans-59.5-47.6173.5-79161.4000111.1S54 K55 S61 R62 E192 V196 Y359S54-L58 WeakPolarHBondContact O-CB 3.45Å; S54-L58 VanDerWaalsContact O-CG 3.32Å; S54-L58 WeakPolarHBondContact O-CG 3.42Å; S54-L58 PolarHBondContact O-N 3.48Å; K55-L58 PolarHBondContact O-N 2.96Å; L58-S61 PolarHBondContact O-OG 3.44Å; L58-S61 VanDerWaalsContact O-OG 3.08Å; L58-R62 VanDerWaalsContact O-CB 3.25Å; L58-R62 WeakPolarHBondContact O-CB 3.35Å; L58-R62 PolarHBondContact O-N 3.09Å; L58-E192 HydrophobicContact CD1-CB 4.06Å; L58-E192 HydrophobicContact CD1-CG 3.9Å; L58-E192 HydrophobicContact CD2-CB 4.42Å; L58-V196 HydrophobicContact CB-CG2 4.39Å; L58-V196 HydrophobicContact CD2-CG2 3.7Å; L58-V196 HydrophobicContact CG-CG2 3.72Å; L58-Y359 WeakPolarHBondContact CD1-O 3.44Å
59N98.4Very high97.5Very high89 Ų8940.5 Ų40.548%0.47621%0.207SC..Hα-helixtrans-61.6-50.2176.3-178.766.3000111.6K55 S61 R62 I63K55-N59 WeakPolarHBondContact O-CB 3.49Å; K55-N59 PolarHBondContact O-N 3.11Å; N59-S61 PolarHBondContact O-N 3.4Å; N59-R62 WeakPolarHBondContact O-CB 3.34Å; N59-R62 PolarHBondContact O-N 2.89Å; N59-I63 WeakPolarHBondContact O-CG1 3.48Å; N59-I63 PolarHBondContact O-N 3.08Å
60S98.5Very high97Very high20 Ų2039.7 Ų39.714%0.1421%0.208CC..Hα-helixtrans-64.6-41-177.5-57.10000112.7S56 L57 Y64S56-S60 WeakPolarHBondContact O-CB 3.33Å; S56-S60 PolarHBondContact O-N 2.92Å; S56-S60 VanDerWaalsContact O-N 3.11Å; S56-S60 PolarHBondContact O-OG 3.46Å; L57-S60 PolarHBondContact O-N 3.32Å; S60-Y64 WeakPolarHBondContact O-CB 3.18Å; S60-Y64 PolarHBondContact O-N 3.44Å; S60-Y64 VanDerWaalsContact O-N 3.07Å
61S98.7Very high96.8Very high0 Ų042.2 Ų42.20%021%0.212CC..Hα-helixtrans-70.8-32.2177.263.10000112.8L57 L58 N59 V65L57-S61 WeakPolarHBondContact O-CB 3.49Å; L57-S61 PolarHBondContact O-N 3.41Å; L57-S61 PolarHBondContact O-OG 3Å; L58-S61 PolarHBondContact O-OG 3.44Å; L58-S61 VanDerWaalsContact O-OG 3.08Å; N59-S61 PolarHBondContact O-N 3.4Å; S61-V65 PolarHBondContact O-N 2.83Å
62R97.7Very high96.8Very high63 Ų6342.4 Ų42.424%0.23821%0.209CC..Hα-helixtrans-61.5-53.8171.1176.5-176172.6165.95.4110.8L58 N59 Y64 V65 E66 H361 D399L58-R62 VanDerWaalsContact O-CB 3.25Å; L58-R62 WeakPolarHBondContact O-CB 3.35Å; L58-R62 PolarHBondContact O-N 3.09Å; N59-R62 WeakPolarHBondContact O-CB 3.34Å; N59-R62 PolarHBondContact O-N 2.89Å; R62-Y64 VanDerWaalsContact C-N 3.25Å; R62-Y64 PolarHBondContact O-N 3.25Å; R62-V65 WeakPolarHBondContact O-CG1 3.28Å; R62-V65 PolarHBondContact O-N 3.06Å; R62-V65 VanDerWaalsContact O-N 3.16Å; R62-E66 HydrophobicContact CG-CG 4.39Å; R62-E66 WeakPolarHBondContact CG-OE1 3.34Å; R62-E66 IonicContact CZ-OE1 2.7Å; R62-E66 IonicContact NE-OE1 2.7Å; R62-E66 PolarHBondContact NE-OE1 2.92Å; R62-E66 IonicContact NH2-OE1 2.71Å; R62-E66 PolarHBondContact NH2-OE1 3.39Å; R62-E66 WeakPolarHBondContact O-CB 3.34Å; R62-E66 WeakPolarHBondContact O-CG 3.19Å; R62-E66 PolarHBondContact O-N 3.09Å; R62-H361 PolarHBondContact NH1-ND1 3Å; R62-H361 PolarHBondContact NH2-CE1 3.47Å; R62-D399 IonicContact NH2-OD2 3.45Å
63I97.6Very high96.7Very high80 Ų8042.9 Ų42.941%0.4122%0.22SC..Hα-helixtrans-56.7-44178.8-65.5165.6000110.4N59 A67N59-I63 WeakPolarHBondContact O-CG1 3.48Å; N59-I63 PolarHBondContact O-N 3.08Å; I63-A67 WeakPolarHBondContact O-CB 3.43Å; I63-A67 PolarHBondContact O-N 3.1Å
64Y98.2Very high96.5Very high47 Ų4746.1 Ų46.118%0.18424%0.242CC..Hα-helixtrans-60-48.7177.5173.1-107.2000112.6S60 R62 A67 K68 L83 R199 L200S60-Y64 WeakPolarHBondContact O-CB 3.18Å; S60-Y64 PolarHBondContact O-N 3.44Å; S60-Y64 VanDerWaalsContact O-N 3.07Å; R62-Y64 VanDerWaalsContact C-N 3.25Å; R62-Y64 PolarHBondContact O-N 3.25Å; Y64-A67 PolarHBondContact O-N 3.26Å; Y64-K68 VanDerWaalsContact O-CB 3.3Å; Y64-K68 WeakPolarHBondContact O-CB 3.49Å; Y64-K68 PolarHBondContact O-N 2.61Å; Y64-L83 HydrophobicContact CE2-CB 3.91Å; Y64-R199 WeakPolarHBondContact CD1-O 3.11Å; Y64-R199 WeakPolarHBondContact CE1-O 3.23Å; Y64-L200 HydrophobicContact CD1-CD2 3.9Å; Y64-L200 HydrophobicContact CE1-CD2 4.46Å; Y64-L200 HydrophobicContact CG-CD2 4.43Å
65V96.8Very high96.3Very high23 Ų2350.4 Ų50.414%0.13926%0.261CS..Hα-helixtrans-70.6-34.6-177.179.20000112.1S61 R62 K68 K69 R199S61-V65 PolarHBondContact O-N 2.83Å; R62-V65 WeakPolarHBondContact O-CG1 3.28Å; R62-V65 PolarHBondContact O-N 3.06Å; R62-V65 VanDerWaalsContact O-N 3.16Å; V65-K68 PolarHBondContact O-N 3.42Å; V65-K69 HydrophobicContact CG2-CB 4.35Å; V65-K69 HydrophobicContact CG2-CD 3.55Å; V65-K69 HydrophobicContact CG2-CG 3.72Å; V65-K69 VanDerWaalsContact O-CB 3.31Å; V65-K69 WeakPolarHBondContact O-CB 3.32Å; V65-K69 PolarHBondContact O-N 2.85Å; V65-R199 HydrophobicContact CB-CB 4.05Å; V65-R199 HydrophobicContact CB-CG 4.1Å; V65-R199 HydrophobicContact CG1-CB 4.36Å; V65-R199 HydrophobicContact CG1-CG 3.92Å; V65-R199 HydrophobicContact CG2-CB 4.44Å; V65-R199 HydrophobicContact CG2-CG 4.37Å
66E96.1Very high96.2Very high36 Ų3650.6 Ų50.617%0.16828%0.28CS..Hα-helixtrans-62.4-44.3173.8-75.7174.8177.300111.3R62 Y71 F72R62-E66 HydrophobicContact CG-CG 4.39Å; R62-E66 WeakPolarHBondContact CG-OE1 3.34Å; R62-E66 IonicContact CZ-OE1 2.7Å; R62-E66 IonicContact NE-OE1 2.7Å; R62-E66 PolarHBondContact NE-OE1 2.92Å; R62-E66 IonicContact NH2-OE1 2.71Å; R62-E66 PolarHBondContact NH2-OE1 3.39Å; R62-E66 WeakPolarHBondContact O-CB 3.34Å; R62-E66 WeakPolarHBondContact O-CG 3.19Å; R62-E66 PolarHBondContact O-N 3.09Å; E66-Y71 HydrophobicContact CB-CD1 4.07Å; E66-Y71 HydrophobicContact CB-CG 4.41Å; E66-Y71 HydrophobicContact CG-CD1 4.32Å; E66-Y71 WeakPolarHBondContact O-CB 3.24Å; E66-Y71 PolarHBondContact O-N 3.1Å; E66-Y71 VanDerWaalsContact O-N 3.12Å; E66-F72 HydrophobicContact CB-CD1 4.3Å; E66-F72 HydrophobicContact CB-CE1 4.12Å; E66-F72 PolarHBondContact O-N 2.87Å
67A96.8Very high96.1Very high12 Ų1254.1 Ų54.110%0.09930%0.297CS..Hα-helixtrans-64.9-40.2175.100000112I63 Y64 F72 F81I63-A67 WeakPolarHBondContact O-CB 3.43Å; I63-A67 PolarHBondContact O-N 3.1Å; Y64-A67 PolarHBondContact O-N 3.26Å; A67-F72 HydrophobicContact CB-CD1 4.13Å; A67-F72 HydrophobicContact CB-CD2 3.85Å; A67-F72 HydrophobicContact CB-CE1 4.19Å; A67-F72 HydrophobicContact CB-CE2 3.9Å; A67-F72 HydrophobicContact CB-CG 3.98Å; A67-F72 HydrophobicContact CB-CZ 4.08Å; A67-F81 HydrophobicContact CB-CB 4.11Å; A67-F81 HydrophobicContact CB-CD1 4.02Å; A67-F81 HydrophobicContact CB-CD2 3.72Å; A67-F81 HydrophobicContact CB-CE1 4.41Å; A67-F81 HydrophobicContact CB-CE2 4.12Å; A67-F81 HydrophobicContact CB-CG 3.66Å; A67-F81 HydrophobicContact CB-CZ 4.45Å; A67-F81 VanDerWaalsContact O-CD2 3.28Å; A67-F81 WeakPolarHBondContact O-CD2 3.41Å
68K94.9Very high95.9Very high102 Ų10261 Ų6144%0.44333%0.334SS..Hα-helixtrans-82.7-34.8-174-162.962.7168.2-170.70114.7Y64 V65 F81Y64-K68 VanDerWaalsContact O-CB 3.3Å; Y64-K68 WeakPolarHBondContact O-CB 3.49Å; Y64-K68 PolarHBondContact O-N 2.61Å; V65-K68 PolarHBondContact O-N 3.42Å; K68-F81 PolarHBondContact NZ-O 3.18Å
69K90.8Very high95.6Very high137 Ų13763.1 Ų63.160%0.59636%0.357SS*.THydrogen-bonded Turntrans-100.527.7-174.6-64.1-164.5-178.8176.90113.3V65V65-K69 HydrophobicContact CG2-CB 4.35Å; V65-K69 HydrophobicContact CG2-CD 3.55Å; V65-K69 HydrophobicContact CG2-CG 3.72Å; V65-K69 VanDerWaalsContact O-CB 3.31Å; V65-K69 WeakPolarHBondContact O-CB 3.32Å; V65-K69 PolarHBondContact O-N 2.85Å
70G88.4Confident95.5Very high33 Ų3365 Ų6534%0.3437%0.367SS..THydrogen-bonded Turntrans89.6-2.3163.200000116.3F72 A73 S74G70-F72 VanDerWaalsContact C-N 3.33Å; G70-F72 PolarHBondContact O-N 3.38Å; G70-A73 PolarHBondContact O-N 2.79Å; G70-S74 WeakPolarHBondContact O-CB 3.41Å; G70-S74 PolarHBondContact O-N 3.3Å
71Y94.1Very high95.3Very high73 Ų7366.7 Ų66.729%0.28637%0.372SS..Hα-helixtrans-59.8-47.5172.8178.6-102.9000110E66 A73 S74 Q75 V397 N398E66-Y71 HydrophobicContact CB-CD1 4.07Å; E66-Y71 HydrophobicContact CB-CG 4.41Å; E66-Y71 HydrophobicContact CG-CD1 4.32Å; E66-Y71 WeakPolarHBondContact O-CB 3.24Å; E66-Y71 PolarHBondContact O-N 3.1Å; E66-Y71 VanDerWaalsContact O-N 3.12Å; Y71-A73 PolarHBondContact O-N 2.88Å; Y71-S74 WeakPolarHBondContact O-CB 3.26Å; Y71-S74 PolarHBondContact O-N 2.83Å; Y71-S74 VanDerWaalsContact O-N 3.1Å; Y71-S74 PolarHBondContact O-OG 2.76Å; Y71-Q75 HydrophobicContact CE1-CG 4.17Å; Y71-Q75 HydrophobicContact CE2-CG 4.5Å; Y71-Q75 WeakPolarHBondContact O-CG 3.41Å; Y71-Q75 PolarHBondContact O-N 2.99Å; Y71-V397 WeakPolarHBondContact CE2-O 3.32Å; Y71-V397 PolarHBondContact OH-O 3Å; Y71-N398 HydrophobicContact CE2-CB 4.42Å
72F96Very high95.2Very high45 Ų4572.4 Ų72.420%0.19740%0.402CS..Hα-helixtrans-59.8-45.1177.1-83.638.4000112.2E66 A67 G70 S74 Q75 G76 I77 F81E66-F72 HydrophobicContact CB-CD1 4.3Å; E66-F72 HydrophobicContact CB-CE1 4.12Å; E66-F72 PolarHBondContact O-N 2.87Å; A67-F72 HydrophobicContact CB-CD1 4.13Å; A67-F72 HydrophobicContact CB-CD2 3.85Å; A67-F72 HydrophobicContact CB-CE1 4.19Å; A67-F72 HydrophobicContact CB-CE2 3.9Å; A67-F72 HydrophobicContact CB-CG 3.98Å; A67-F72 HydrophobicContact CB-CZ 4.08Å; G70-F72 VanDerWaalsContact C-N 3.33Å; G70-F72 PolarHBondContact O-N 3.38Å; F72-S74 VanDerWaalsContact C-N 3.29Å; F72-S74 PolarHBondContact O-N 2.77Å; F72-Q75 CarbonylContact O-C 3.57Å; F72-Q75 WeakPolarHBondContact O-CA 3.47Å; F72-Q75 WeakPolarHBondContact O-CB 3.45Å; F72-Q75 PolarHBondContact O-N 2.79Å; F72-G76 PolarHBondContact O-N 2.72Å; F72-I77 CarbonylContact C-O 3.53Å; F72-I77 HydrophobicContact CB-CB 4.07Å; F72-I77 HydrophobicContact CB-CG2 4.36Å; F72-I77 HydrophobicContact CD2-CB 4.28Å; F72-I77 HydrophobicContact CD2-CG2 3.77Å; F72-I77 HydrophobicContact CG-CB 4.45Å; F72-I77 HydrophobicContact CG-CG2 4.42Å; F72-I77 WeakPolarHBondContact O-CB 3.41Å; F72-I77 PolarHBondContact O-N 3.49Å; F72-F81 HydrophobicContact CB-CE2 4.37Å; F72-F81 HydrophobicContact CD2-CE1 4.15Å; F72-F81 HydrophobicContact CD2-CE2 4.21Å; F72-F81 AromaticContact CD2-CZ 3.71Å; F72-F81 HydrophobicContact CD2-CZ 3.71Å; F72-F81 HydrophobicContact CE2-CE1 4.45Å; F72-F81 HydrophobicContact CE2-CZ 4.44Å
73A95.6Very high95.2Very high57 Ų5772 Ų7247%0.47141%0.405SS..Hα-helixtrans-60.2-38.417600000112.1G70 Y71 Q75 G76 I77G70-A73 PolarHBondContact O-N 2.79Å; Y71-A73 PolarHBondContact O-N 2.88Å; A73-Q75 PolarHBondContact O-N 2.67Å; A73-G76 PolarHBondContact O-N 2.83Å; A73-I77 PolarHBondContact N-O 2.95Å
74S95Very high95.2Very high69 Ų6972.2 Ų72.248%0.48341%0.406SS..Hα-helixtrans-64.2-21.2174.780.30000113.5G70 Y71 F72G70-S74 WeakPolarHBondContact O-CB 3.41Å; G70-S74 PolarHBondContact O-N 3.3Å; Y71-S74 WeakPolarHBondContact O-CB 3.26Å; Y71-S74 PolarHBondContact O-N 2.83Å; Y71-S74 VanDerWaalsContact O-N 3.1Å; Y71-S74 PolarHBondContact O-OG 2.76Å; F72-S74 VanDerWaalsContact C-N 3.29Å; F72-S74 PolarHBondContact O-N 2.77Å
75Q94.8Very high95.2Very high97 Ų9770.9 Ų70.945%0.45340%0.403SS..THydrogen-bonded Turntrans-95.97.7175.2-55.9-52.5-60.400112.7Y71 F72 A73 I77Y71-Q75 HydrophobicContact CE1-CG 4.17Å; Y71-Q75 HydrophobicContact CE2-CG 4.5Å; Y71-Q75 WeakPolarHBondContact O-CG 3.41Å; Y71-Q75 PolarHBondContact O-N 2.99Å; F72-Q75 CarbonylContact O-C 3.57Å; F72-Q75 WeakPolarHBondContact O-CA 3.47Å; F72-Q75 WeakPolarHBondContact O-CB 3.45Å; F72-Q75 PolarHBondContact O-N 2.79Å; A73-Q75 PolarHBondContact O-N 2.67Å; Q75-I77 VanDerWaalsContact C-N 3.33Å; Q75-I77 HydrophobicContact CB-CD1 4.33Å; Q75-I77 HydrophobicContact CB-CG1 4.45Å
76G96.1Very high95.3Very high62 Ų6273.2 Ų73.264%0.63942%0.424SS*.THydrogen-bonded Turntrans73.323.1-177.300000114.1F72 A73F72-G76 PolarHBondContact O-N 2.72Å; A73-G76 PolarHBondContact O-N 2.83Å
77I96.9Very high95.4Very high84 Ų8476.1 Ų76.143%0.43144%0.441SS..  trans-105.7102.3177-56.2169.7000108.8F72 A73 Q75 F81F72-I77 CarbonylContact C-O 3.53Å; F72-I77 HydrophobicContact CB-CB 4.07Å; F72-I77 HydrophobicContact CB-CG2 4.36Å; F72-I77 HydrophobicContact CD2-CB 4.28Å; F72-I77 HydrophobicContact CD2-CG2 3.77Å; F72-I77 HydrophobicContact CG-CB 4.45Å; F72-I77 HydrophobicContact CG-CG2 4.42Å; F72-I77 WeakPolarHBondContact O-CB 3.41Å; F72-I77 PolarHBondContact O-N 3.49Å; A73-I77 PolarHBondContact N-O 2.95Å; Q75-I77 VanDerWaalsContact C-N 3.33Å; Q75-I77 HydrophobicContact CB-CD1 4.33Å; Q75-I77 HydrophobicContact CB-CG1 4.45Å; I77-F81 HydrophobicContact CG2-CZ 4.45Å
78D94.4Very high95.5Very high146 Ų14676.6 Ų76.678%0.78144%0.441SS*.  trans-94142.1176.3-65-50.4000111.7
79G92.9Very high95.7Very high50 Ų5073.1 Ų73.152%0.51543%0.427SS..  trans179162.3177.200000113.9F81G79-F81 WeakPolarHBondContact O-CD2 3.24Å; G79-F81 WeakPolarHBondContact O-CE2 3.45Å
80N94.4Very high96Very high128 Ų12873.3 Ų73.368%0.68443%0.428SS*.  trans-95.398.2170.9-172.311.2000110.4N82N80-N82 PolarHBondContact ND2-ND2 3.41Å
81F95.5Very high96.5Very high57 Ų5775.7 Ų75.725%0.2543%0.43CS..  trans-93.1114.8-178.4-48.4-70.4000110.7A67 K68 F72 I77 G79A67-F81 HydrophobicContact CB-CB 4.11Å; A67-F81 HydrophobicContact CB-CD1 4.02Å; A67-F81 HydrophobicContact CB-CD2 3.72Å; A67-F81 HydrophobicContact CB-CE1 4.41Å; A67-F81 HydrophobicContact CB-CE2 4.12Å; A67-F81 HydrophobicContact CB-CG 3.66Å; A67-F81 HydrophobicContact CB-CZ 4.45Å; A67-F81 VanDerWaalsContact O-CD2 3.28Å; A67-F81 WeakPolarHBondContact O-CD2 3.41Å; K68-F81 PolarHBondContact NZ-O 3.18Å; F72-F81 HydrophobicContact CB-CE2 4.37Å; F72-F81 HydrophobicContact CD2-CE1 4.15Å; F72-F81 HydrophobicContact CD2-CE2 4.21Å; F72-F81 AromaticContact CD2-CZ 3.71Å; F72-F81 HydrophobicContact CD2-CZ 3.71Å; F72-F81 HydrophobicContact CE2-CE1 4.45Å; F72-F81 HydrophobicContact CE2-CZ 4.44Å; I77-F81 HydrophobicContact CG2-CZ 4.45Å; G79-F81 WeakPolarHBondContact O-CD2 3.24Å; G79-F81 WeakPolarHBondContact O-CE2 3.45Å
82N96.1Very high96.7Very high119 Ų11973.4 Ų73.464%0.63642%0.422SS*.  trans-116.4141.8-179.9-65.8-58000111N80N80-N82 PolarHBondContact ND2-ND2 3.41Å
83L98Very high96.8Very high55 Ų5573.7 Ų73.729%0.28843%0.433SS..  trans-75.1126.6175.8177.160.9000110.7Y64 L85 M88 V177 L200Y64-L83 HydrophobicContact CE2-CB 3.91Å; L83-L85 HydrophobicContact CG-CB 4.43Å; L83-M88 HydrophobicContact CD1-CE 3.61Å; L83-V177 HydrophobicContact CD2-CG2 3.61Å; L83-L200 HydrophobicContact CD1-CD2 3.87Å; L83-L200 HydrophobicContact CD2-CB 4.25Å; L83-L200 HydrophobicContact CD2-CD2 4.21Å
84N98.1Very high97Very high84 Ų8473.9 Ų73.945%0.44943%0.428SS..  trans-114.892.9161-176.2-32.3000108.5A86 N87 M88N84-A86 VanDerWaalsContact C-N 3.31Å; N84-A86 PolarHBondContact O-N 3.39Å; N84-A86 PolarHBondContact OD1-N 3.26Å; N84-N87 HydrophobicContact CB-CB 4.29Å; N84-N87 PolarHBondContact ND2-ND2 3.03Å; N84-N87 PolarHBondContact O-N 3.31Å; N84-N87 PolarHBondContact OD1-N 2.84Å; N84-M88 PolarHBondContact O-N 3.03Å; N84-M88 VanDerWaalsContact O-N 3.16Å
85L98.5Very high97.1Very high20 Ų2071.6 Ų71.611%0.10541%0.413CS..Hα-helixtrans-63.4-36.9-175.3-175.760.7000112.1L83 N87 M88 M89 V177 W197 L200L83-L85 HydrophobicContact CG-CB 4.43Å; L85-N87 VanDerWaalsContact C-N 3.34Å; L85-N87 PolarHBondContact O-N 3.14Å; L85-M88 WeakPolarHBondContact O-CB 3.48Å; L85-M88 PolarHBondContact O-N 3.25Å; L85-M89 HydrophobicContact CD1-CE 3.99Å; L85-M89 HydrophobicContact CD1-CG 4.3Å; L85-M89 HydrophobicContact CG-CG 4.36Å; L85-M89 WeakPolarHBondContact O-CG 3.24Å; L85-M89 PolarHBondContact O-N 2.81Å; L85-V177 HydrophobicContact CD2-CG2 4.33Å; L85-W197 HydrophobicContact CD1-CH2 4.28Å; L85-W197 HydrophobicContact CD1-CZ3 4.24Å; L85-W197 HydrophobicContact CD2-CH2 4.48Å; L85-W197 HydrophobicContact CD2-CZ3 4.3Å; L85-L200 HydrophobicContact CD1-CD1 4.21Å
86A98.4Very high97.3Very high72 Ų7268 Ų6860%0.59540%0.398SS*.Hα-helixtrans-60.4-42.5178.100000111.9N84 M89 K90N84-A86 VanDerWaalsContact C-N 3.31Å; N84-A86 PolarHBondContact O-N 3.39Å; N84-A86 PolarHBondContact OD1-N 3.26Å; A86-M89 PolarHBondContact O-N 3.47Å; A86-K90 WeakPolarHBondContact O-CB 3.47Å; A86-K90 PolarHBondContact O-N 3.39Å
87N98.4Very high97.4Very high96 Ų9672.9 Ų72.951%0.51340%0.402SS..Hα-helixtrans-68.4-37.6175.3-80.4-10.8000112.5N84 L85 K90 Q91N84-N87 HydrophobicContact CB-CB 4.29Å; N84-N87 PolarHBondContact ND2-ND2 3.03Å; N84-N87 PolarHBondContact O-N 3.31Å; N84-N87 PolarHBondContact OD1-N 2.84Å; L85-N87 VanDerWaalsContact C-N 3.34Å; L85-N87 PolarHBondContact O-N 3.14Å; N87-K90 PolarHBondContact O-N 2.89Å; N87-Q91 PolarHBondContact O-N 2.98Å
88M98.6Very high97.5Very high22 Ų2275.3 Ų75.311%0.10841%0.411CS..Hα-helixtrans-61.9-45.8174.7-171.9177.5-65.100111.2L57 L83 N84 L85 K90 Q91 K92 L200L57-M88 HydrophobicContact CD2-CG 3.92Å; L57-M88 HydrophobicContact CD2-SD 4.24Å; L83-M88 HydrophobicContact CD1-CE 3.61Å; N84-M88 PolarHBondContact O-N 3.03Å; N84-M88 VanDerWaalsContact O-N 3.16Å; L85-M88 WeakPolarHBondContact O-CB 3.48Å; L85-M88 PolarHBondContact O-N 3.25Å; M88-K90 VanDerWaalsContact C-N 3.34Å; M88-K90 PolarHBondContact O-N 3.24Å; M88-Q91 PolarHBondContact O-N 3.3Å; M88-K92 PolarHBondContact O-N 3.05Å; M88-K92 VanDerWaalsContact O-N 3.08Å; M88-L200 HydrophobicContact CE-CD2 3.8Å; M88-L200 HydrophobicContact SD-CD1 4.15Å; M88-L200 HydrophobicContact SD-CD2 4.03Å
89M98.5Very high97.7Very high30 Ų3072.1 Ų72.115%0.14839%0.394CS..Hα-helixtrans-65.6-36.1175.9-71.2-61.4174.900112.5L57 L85 A86 K92 A93 W197L57-M89 HydrophobicContact CD1-CE 4.1Å; L57-M89 HydrophobicContact CD1-SD 4.39Å; L57-M89 HydrophobicContact CD2-CE 4.18Å; L57-M89 HydrophobicContact CD2-SD 4.04Å; L85-M89 HydrophobicContact CD1-CE 3.99Å; L85-M89 HydrophobicContact CD1-CG 4.3Å; L85-M89 HydrophobicContact CG-CG 4.36Å; L85-M89 WeakPolarHBondContact O-CG 3.24Å; L85-M89 PolarHBondContact O-N 2.81Å; A86-M89 PolarHBondContact O-N 3.47Å; M89-K92 WeakPolarHBondContact O-CB 3.29Å; M89-K92 PolarHBondContact O-N 2.82Å; M89-K92 HydrophobicContact SD-CD 4.32Å; M89-A93 WeakPolarHBondContact O-CB 3.48Å; M89-A93 PolarHBondContact O-N 3.21Å; M89-W197 HydrophobicContact CE-CH2 3.55Å; M89-W197 HydrophobicContact CE-CZ2 3.87Å
90K98.5Very high98Very high141 Ų14170.3 Ų70.361%0.61337%0.372SS*.Hα-helixtrans-64.2-41.4173.4-177.2-178.2177.6-177.50112A86 N87 M88 A93 T94A86-K90 WeakPolarHBondContact O-CB 3.47Å; A86-K90 PolarHBondContact O-N 3.39Å; N87-K90 PolarHBondContact O-N 2.89Å; M88-K90 VanDerWaalsContact C-N 3.34Å; M88-K90 PolarHBondContact O-N 3.24Å; K90-A93 PolarHBondContact O-N 3.47Å; K90-T94 WeakPolarHBondContact O-CB 3.36Å; K90-T94 PolarHBondContact O-N 3.21Å; K90-T94 PolarHBondContact O-OG1 3.03Å
91Q98.3Very high98.1Very high83 Ų8365.7 Ų65.739%0.38836%0.355SS..Hα-helixtrans-61.7-46175.7178.2-78.6-23.600110.5S56 N87 M88 A93 T94 A95S56-Q91 PolarHBondContact OG-NE2 3.4Å; S56-Q91 PolarHBondContact OG-OE1 3.38Å; N87-Q91 PolarHBondContact O-N 2.98Å; M88-Q91 PolarHBondContact O-N 3.3Å; Q91-A93 PolarHBondContact O-N 3.23Å; Q91-T94 WeakPolarHBondContact O-CB 3.35Å; Q91-T94 PolarHBondContact O-N 3Å; Q91-A95 PolarHBondContact O-N 3.3Å
92K98.6Very high98.3Very high24 Ų2463.9 Ų63.910%0.10435%0.352CS..Hα-helixtrans-54.5-52.7173-178.3-15073162.20111.5P53 S56 L57 M88 M89 T94 A95 V96 L172 S173P53-K92 HydrophobicContact CB-CD 3.69Å; P53-K92 HydrophobicContact CB-CG 3.77Å; S56-K92 WeakPolarHBondContact OG-CA 3.38Å; L57-K92 HydrophobicContact CD1-CD 4.19Å; L57-K92 HydrophobicContact CD2-CB 4.31Å; L57-K92 HydrophobicContact CD2-CD 4.41Å; L57-K92 HydrophobicContact CG-CD 4.18Å; L57-K92 HydrophobicContact CG-CG 4.39Å; M88-K92 PolarHBondContact O-N 3.05Å; M88-K92 VanDerWaalsContact O-N 3.08Å; M89-K92 WeakPolarHBondContact O-CB 3.29Å; M89-K92 PolarHBondContact O-N 2.82Å; M89-K92 HydrophobicContact SD-CD 4.32Å; K92-T94 VanDerWaalsContact C-N 3.25Å; K92-T94 PolarHBondContact O-N 3.28Å; K92-A95 PolarHBondContact O-N 3.45Å; K92-V96 WeakPolarHBondContact O-CG2 3.25Å; K92-V96 PolarHBondContact O-N 3.09Å; K92-L172 PolarHBondContact NZ-O 3.24Å; K92-S173 PolarHBondContact NZ-OG 3.15Å
93A98.3Very high98.4Very high52 Ų5258.4 Ų58.443%0.4332%0.324SS..Hα-helixtrans-61.9-33.8-179.700000112.6M89 K90 Q91 K97M89-A93 WeakPolarHBondContact O-CB 3.48Å; M89-A93 PolarHBondContact O-N 3.21Å; K90-A93 PolarHBondContact O-N 3.47Å; Q91-A93 PolarHBondContact O-N 3.23Å; A93-K97 VanDerWaalsContact O-CB 3.29Å; A93-K97 WeakPolarHBondContact O-CB 3.34Å; A93-K97 PolarHBondContact O-N 3.21Å
94T98.6Very high98.4Very high60 Ų6057.3 Ų57.337%0.36832%0.322SS..Hα-helixtrans-65.4-47.2175.9-58.70000111.1K90 Q91 K92 V96 K97 Q98K90-T94 WeakPolarHBondContact O-CB 3.36Å; K90-T94 PolarHBondContact O-N 3.21Å; K90-T94 PolarHBondContact O-OG1 3.03Å; Q91-T94 WeakPolarHBondContact O-CB 3.35Å; Q91-T94 PolarHBondContact O-N 3Å; K92-T94 VanDerWaalsContact C-N 3.25Å; K92-T94 PolarHBondContact O-N 3.28Å; T94-V96 PolarHBondContact O-N 3.06Å; T94-K97 PolarHBondContact O-N 2.96Å; T94-Q98 HydrophobicContact CG2-CG 4.42Å; T94-Q98 WeakPolarHBondContact O-CB 3.06Å; T94-Q98 VanDerWaalsContact O-CG 3.31Å; T94-Q98 WeakPolarHBondContact O-CG 3.49Å; T94-Q98 PolarHBondContact O-N 3.44Å
95A98.4Very high98.4Very high22 Ų2258.9 Ų58.918%0.18233%0.328CS..Hα-helixtrans-60.1-46.8177.200000111.6I52 Q91 K92 K97 Q98 L99I52-A95 HydrophobicContact CG2-CB 4.49Å; Q91-A95 PolarHBondContact O-N 3.3Å; K92-A95 PolarHBondContact O-N 3.45Å; A95-K97 PolarHBondContact O-N 2.88Å; A95-Q98 PolarHBondContact O-N 3.27Å; A95-L99 WeakPolarHBondContact O-CG 3.48Å; A95-L99 PolarHBondContact O-N 3.13Å
96V98.6Very high98.4Very high21 Ų2162 Ų6213%0.12735%0.345CS..Hα-helixtrans-58.4-51175.8173.90000110.8L47 I52 P53 K92 T94 Q98 L99 T100L47-V96 WeakPolarHBondContact O-CG1 3.2Å; L47-V96 WeakPolarHBondContact O-CG2 3.36Å; I52-V96 HydrophobicContact CG2-CG2 4.04Å; P53-V96 HydrophobicContact CB-CG2 4.25Å; K92-V96 WeakPolarHBondContact O-CG2 3.25Å; K92-V96 PolarHBondContact O-N 3.09Å; T94-V96 PolarHBondContact O-N 3.06Å; V96-Q98 VanDerWaalsContact C-N 3.33Å; V96-Q98 PolarHBondContact O-N 2.63Å; V96-L99 PolarHBondContact O-N 3.41Å; V96-T100 HydrophobicContact CG1-CG2 4.17Å; V96-T100 WeakPolarHBondContact O-CG2 3.46Å; V96-T100 PolarHBondContact O-N 2.92Å; V96-T100 PolarHBondContact O-OG1 2.78Å; V96-T100 VanDerWaalsContact O-OG1 3.09Å
97K98.6Very high98.4Very high165 Ų16558.8 Ų58.872%0.71732%0.317SS*.Hα-helixtrans-59.3-41.2-180-178.2178.9179.3179.40112.8A93 T94 A95 T100 G101A93-K97 VanDerWaalsContact O-CB 3.29Å; A93-K97 WeakPolarHBondContact O-CB 3.34Å; A93-K97 PolarHBondContact O-N 3.21Å; T94-K97 PolarHBondContact O-N 2.96Å; A95-K97 PolarHBondContact O-N 2.88Å; K97-T100 PolarHBondContact O-OG1 2.94Å; K97-G101 PolarHBondContact O-N 2.8Å; K97-G101 VanDerWaalsContact O-N 3.08Å
98Q98.5Very high98.4Very high135 Ų13562.7 Ų62.763%0.63133%0.325SS*.Hα-helixtrans-64.9-45.6178.6-76.6174.8-2200111.3T94 A95 V96 G102T94-Q98 HydrophobicContact CG2-CG 4.42Å; T94-Q98 WeakPolarHBondContact O-CB 3.06Å; T94-Q98 VanDerWaalsContact O-CG 3.31Å; T94-Q98 WeakPolarHBondContact O-CG 3.49Å; T94-Q98 PolarHBondContact O-N 3.44Å; A95-Q98 PolarHBondContact O-N 3.27Å; V96-Q98 VanDerWaalsContact C-N 3.33Å; V96-Q98 PolarHBondContact O-N 2.63Å; Q98-G102 PolarHBondContact O-N 2.91Å
99L98.2Very high98.4Very high79 Ų7964.7 Ų64.741%0.41435%0.351SS..Hα-helixtrans-71.2-42.3-177.5-70.8169.1000112.4L47 I52 A95 V96 G101 G102 V103L47-L99 HydrophobicContact CD2-CB 4.15Å; L47-L99 HydrophobicContact CG-CB 4.47Å; I52-L99 HydrophobicContact CB-CD1 4.41Å; I52-L99 HydrophobicContact CD1-CD1 3.81Å; I52-L99 HydrophobicContact CG1-CD1 3.89Å; I52-L99 HydrophobicContact CG2-CD1 3.64Å; A95-L99 WeakPolarHBondContact O-CG 3.48Å; A95-L99 PolarHBondContact O-N 3.13Å; V96-L99 PolarHBondContact O-N 3.41Å; L99-G101 PolarHBondContact O-N 3.49Å; L99-G102 WeakPolarHBondContact O-CA 3.47Å; L99-G102 PolarHBondContact O-N 3.32Å; L99-V103 PolarHBondContact O-N 3.14Å
100T98.2Very high98.4Very high11 Ų1165.2 Ų65.27%0.06735%0.354CS..Hα-helixtrans-65.8-39.1176.159.20000111.9L42 L47 N48 V96 K97 G102 V103 A104L42-T100 VanDerWaalsContact O-CG2 3.28Å; L42-T100 WeakPolarHBondContact O-CG2 3.4Å; L47-T100 HydrophobicContact CB-CG2 4.16Å; L47-T100 HydrophobicContact CD2-CG2 4.36Å; N48-T100 WeakPolarHBondContact OD1-CG2 3.24Å; V96-T100 HydrophobicContact CG1-CG2 4.17Å; V96-T100 WeakPolarHBondContact O-CG2 3.46Å; V96-T100 PolarHBondContact O-N 2.92Å; V96-T100 PolarHBondContact O-OG1 2.78Å; V96-T100 VanDerWaalsContact O-OG1 3.09Å; K97-T100 PolarHBondContact O-OG1 2.94Å; T100-G102 VanDerWaalsContact C-N 3.28Å; T100-G102 PolarHBondContact O-N 3.05Å; T100-V103 PolarHBondContact O-N 2.89Å; T100-A104 PolarHBondContact O-N 2.79Å
101G98.2Very high98.4Very high31 Ų3167.3 Ų67.332%0.3236%0.363SS..Hα-helixtrans-61.8-35.5169.600000112.8K97 L99 A104 M105K97-G101 PolarHBondContact O-N 2.8Å; K97-G101 VanDerWaalsContact O-N 3.08Å; L99-G101 PolarHBondContact O-N 3.49Å; G101-A104 PolarHBondContact O-N 2.71Å; G101-M105 WeakPolarHBondContact O-CG 3.43Å; G101-M105 PolarHBondContact O-N 2.8Å
102G98.3Very high98.4Very high19 Ų1963.9 Ų63.920%0.19635%0.348CS..Hα-helixtrans-58-48.4171.500000112.8Q98 L99 T100 A104 M105 L106Q98-G102 PolarHBondContact O-N 2.91Å; L99-G102 WeakPolarHBondContact O-CA 3.47Å; L99-G102 PolarHBondContact O-N 3.32Å; T100-G102 VanDerWaalsContact C-N 3.28Å; T100-G102 PolarHBondContact O-N 3.05Å; G102-A104 VanDerWaalsContact C-N 3.32Å; G102-A104 PolarHBondContact O-N 3.26Å; G102-M105 WeakPolarHBondContact O-CB 3.1Å; G102-M105 PolarHBondContact O-N 2.79Å; G102-M105 VanDerWaalsContact O-N 3.08Å; G102-L106 WeakPolarHBondContact O-CG 3.37Å; G102-L106 PolarHBondContact O-N 2.62Å
103V98.4Very high98.4Very high5 Ų566.1 Ų66.13%0.0336%0.359CS..Hα-helixtrans-60.2-42.5176.5-177.40000111.2Y20 L42 L47 L99 T100 M105 L106 F107Y20-V103 HydrophobicContact CD1-CG1 4.39Å; Y20-V103 HydrophobicContact CD2-CG1 3.88Å; Y20-V103 HydrophobicContact CD2-CG2 4.41Å; Y20-V103 HydrophobicContact CE2-CG2 4.37Å; Y20-V103 HydrophobicContact CG-CG1 3.8Å; L42-V103 HydrophobicContact CB-CB 4.1Å; L42-V103 HydrophobicContact CB-CG1 3.76Å; L42-V103 HydrophobicContact CD1-CB 4.47Å; L42-V103 HydrophobicContact CD1-CG1 3.92Å; L42-V103 HydrophobicContact CG-CG1 4.47Å; L47-V103 HydrophobicContact CD2-CG2 3.71Å; L99-V103 PolarHBondContact O-N 3.14Å; T100-V103 PolarHBondContact O-N 2.89Å; V103-M105 VanDerWaalsContact C-N 3.29Å; V103-M105 PolarHBondContact O-N 3.47Å; V103-L106 WeakPolarHBondContact O-CB 3.3Å; V103-L106 PolarHBondContact O-N 3.02Å; V103-L106 VanDerWaalsContact O-N 3.15Å; V103-F107 HydrophobicContact CG1-CD1 4.41Å; V103-F107 HydrophobicContact CG1-CE1 4.22Å; V103-F107 PolarHBondContact O-N 3.37Å
104A98.2Very high98.3Very high32 Ų3267.3 Ų67.326%0.26436%0.355SS..Hα-helixtrans-62.9-34.7175.700000112.8L42 T100 G101 G102 R108L42-A104 HydrophobicContact CD1-CB 4.16Å; T100-A104 PolarHBondContact O-N 2.79Å; G101-A104 PolarHBondContact O-N 2.71Å; G102-A104 VanDerWaalsContact C-N 3.32Å; G102-A104 PolarHBondContact O-N 3.26Å; A104-R108 PolarHBondContact O-N 2.81Å
105M98.4Very high98.2Very high116 Ų11664.8 Ų64.857%0.57134%0.34SS*.Hα-helixtrans-67.5-42.6171.9-72.2-173.4-67.300112G101 G102 V103 F107 R108 G109G101-M105 WeakPolarHBondContact O-CG 3.43Å; G101-M105 PolarHBondContact O-N 2.8Å; G102-M105 WeakPolarHBondContact O-CB 3.1Å; G102-M105 PolarHBondContact O-N 2.79Å; G102-M105 VanDerWaalsContact O-N 3.08Å; V103-M105 VanDerWaalsContact C-N 3.29Å; V103-M105 PolarHBondContact O-N 3.47Å; M105-F107 VanDerWaalsContact C-N 3.34Å; M105-F107 PolarHBondContact O-N 2.93Å; M105-R108 PolarHBondContact O-N 2.7Å; M105-G109 PolarHBondContact O-N 2.92Å
106L98.4Very high98.2Very high86 Ų8667.2 Ų67.245%0.4535%0.347SS..Hα-helixtrans-61.4-40.9177.2-70.2171.4000112.1I24 G102 V103 G109 N110I24-L106 HydrophobicContact CD1-CB 3.8Å; I24-L106 HydrophobicContact CD1-CD1 4.24Å; G102-L106 WeakPolarHBondContact O-CG 3.37Å; G102-L106 PolarHBondContact O-N 2.62Å; V103-L106 WeakPolarHBondContact O-CB 3.3Å; V103-L106 PolarHBondContact O-N 3.02Å; V103-L106 VanDerWaalsContact O-N 3.15Å; L106-G109 PolarHBondContact O-N 3.14Å; L106-N110 PolarHBondContact O-N 3.01Å; L106-N110 PolarHBondContact O-ND2 3.2Å
107F98.5Very high98.2Very high4 Ų466.4 Ų66.42%0.01834%0.343CS..Hα-helixtrans-60.3-46.4174.7-84.515.7000112A23 I24 C35 L42 V103 M105 G109 N110 K111 V112 H114A23-F107 HydrophobicContact CB-CE1 4.28Å; A23-F107 HydrophobicContact CB-CZ 4.22Å; I24-F107 HydrophobicContact CD1-CD1 4.2Å; I24-F107 HydrophobicContact CD1-CE1 4.25Å; I24-F107 HydrophobicContact CG1-CD1 3.91Å; I24-F107 HydrophobicContact CG1-CE1 3.99Å; C35-F107 HydrophobicContact CB-CE2 3.63Å; C35-F107 HydrophobicContact CB-CZ 3.84Å; L42-F107 HydrophobicContact CD1-CD2 3.61Å; L42-F107 HydrophobicContact CD1-CE2 3.73Å; L42-F107 HydrophobicContact CD1-CG 4.24Å; L42-F107 HydrophobicContact CD1-CZ 4.46Å; L42-F107 HydrophobicContact CD2-CE2 3.91Å; L42-F107 HydrophobicContact CG-CE2 4.47Å; V103-F107 HydrophobicContact CG1-CD1 4.41Å; V103-F107 HydrophobicContact CG1-CE1 4.22Å; V103-F107 PolarHBondContact O-N 3.37Å; M105-F107 VanDerWaalsContact C-N 3.34Å; M105-F107 PolarHBondContact O-N 2.93Å; F107-G109 VanDerWaalsContact C-N 3.35Å; F107-G109 PolarHBondContact O-N 3.3Å; F107-N110 CarbonylContact O-C 3.31Å; F107-N110 PolarHBondContact O-N 3.29Å; F107-K111 PolarHBondContact O-N 2.85Å; F107-V112 HydrophobicContact CB-CB 4.08Å; F107-V112 HydrophobicContact CD1-CB 4.15Å; F107-V112 HydrophobicContact CD1-CG1 4.19Å; F107-V112 HydrophobicContact CD1-CG2 4.42Å; F107-V112 HydrophobicContact CD2-CB 4.29Å; F107-V112 HydrophobicContact CD2-CG1 3.86Å; F107-V112 HydrophobicContact CE1-CG1 4.28Å; F107-V112 HydrophobicContact CE2-CG1 3.99Å; F107-V112 HydrophobicContact CG-CB 3.93Å; F107-V112 HydrophobicContact CG-CG1 3.96Å; F107-V112 HydrophobicContact CZ-CG1 4.19Å; F107-V112 PolarHBondContact O-N 2.66Å; F107-H114 HydrophobicContact CD2-CB 4.14Å
108R98.1Very high98.1Very high179 Ų17960.7 Ų60.768%0.67532%0.318SS*.Hα-helixtrans-60.9-43.7175.4-72.1-173.7-70.3-125.10.3111.9A104 M105 N110 K111A104-R108 PolarHBondContact O-N 2.81Å; M105-R108 PolarHBondContact O-N 2.7Å; R108-N110 VanDerWaalsContact C-N 3.29Å; R108-N110 PolarHBondContact O-N 3.22Å; R108-K111 PolarHBondContact O-N 3.35Å
109G98.3Very high98.1Very high63 Ų6354.4 Ų54.465%0.64929%0.29SS*.Hα-helixtrans-61.5-35.4178.100000113.4M105 L106 F107M105-G109 PolarHBondContact O-N 2.92Å; L106-G109 PolarHBondContact O-N 3.14Å; F107-G109 VanDerWaalsContact C-N 3.35Å; F107-G109 PolarHBondContact O-N 3.3Å
110N98.7Very high98.1Very high41 Ų4152.6 Ų52.622%0.21928%0.282CS..THydrogen-bonded Turntrans-96.46.4178.8-67-87000113.5A27 Q28 L106 F107 R108 V112A27-N110 HydrophobicContact CB-CB 4.28Å; A27-N110 VanDerWaalsContact CB-O 3.31Å; A27-N110 WeakPolarHBondContact CB-O 3.49Å; Q28-N110 WeakPolarHBondContact CG-OD1 3.49Å; Q28-N110 PolarHBondContact NE2-OD1 2.92Å; L106-N110 PolarHBondContact O-N 3.01Å; L106-N110 PolarHBondContact O-ND2 3.2Å; F107-N110 CarbonylContact O-C 3.31Å; F107-N110 PolarHBondContact O-N 3.29Å; R108-N110 VanDerWaalsContact C-N 3.29Å; R108-N110 PolarHBondContact O-N 3.22Å; N110-V112 HydrophobicContact CB-CG2 4.25Å; N110-V112 PolarHBondContact O-N 2.96Å
111K98Very high98.2Very high186 Ų18652.1 Ų52.181%0.80928%0.279SS*.THydrogen-bonded Turntrans5731.2-178.5-51.2177-177.9178.40114.2F107 R108F107-K111 PolarHBondContact O-N 2.85Å; R108-K111 PolarHBondContact O-N 3.35Å
112V98.6Very high98.1Very high11 Ų1153.2 Ų53.27%0.06728%0.279CS..  trans-75.1124.9171.6175.60000108.7A23 A27 T33 C35 F107 N110 H114A23-V112 HydrophobicContact CB-CG1 4.04Å; A23-V112 HydrophobicContact CB-CG2 4.46Å; A23-V112 WeakPolarHBondContact O-CG2 3.47Å; A27-V112 HydrophobicContact CB-CG2 3.83Å; T33-V112 HydrophobicContact CG2-CG1 4.3Å; T33-V112 HydrophobicContact CG2-CG2 4.48Å; C35-V112 HydrophobicContact CB-CG1 3.92Å; F107-V112 HydrophobicContact CB-CB 4.08Å; F107-V112 HydrophobicContact CD1-CB 4.15Å; F107-V112 HydrophobicContact CD1-CG1 4.19Å; F107-V112 HydrophobicContact CD1-CG2 4.42Å; F107-V112 HydrophobicContact CD2-CB 4.29Å; F107-V112 HydrophobicContact CD2-CG1 3.86Å; F107-V112 HydrophobicContact CE1-CG1 4.28Å; F107-V112 HydrophobicContact CE2-CG1 3.99Å; F107-V112 HydrophobicContact CG-CB 3.93Å; F107-V112 HydrophobicContact CG-CG1 3.96Å; F107-V112 HydrophobicContact CZ-CG1 4.19Å; F107-V112 PolarHBondContact O-N 2.66Å; N110-V112 HydrophobicContact CB-CG2 4.25Å; N110-V112 PolarHBondContact O-N 2.96Å; V112-H114 PolarHBondContact O-N 2.91Å
113Q98Very high98.1Very high70 Ų7054.2 Ų54.233%0.32728%0.284SS..EExtended strand (participates in β ladder)trans-75.9109.9174.7-174.8-175.54.300109.6T33 A34 C35 I115T33-Q113 PolarHBondContact O-N 3.35Å; A34-Q113 CarbonylContact C-O 3.59Å; A34-Q113 WeakPolarHBondContact CA-O 3.37Å; A34-Q113 HydrophobicContact CB-CB 4.23Å; C35-Q113 PolarHBondContact N-O 2.84Å; Q113-I115 HydrophobicContact CG-CD1 4.3Å; Q113-I115 HydrophobicContact CG-CG1 3.98Å
114H97.6Very high98.1Very high77 Ų7756.5 Ų56.536%0.35630%0.299SS..EExtended strand (participates in β ladder)trans-81.3128169.5176-145.2000110.3C35 F107 V112C35-H114 WeakPolarHBondContact O-CA 3.16Å; F107-H114 HydrophobicContact CD2-CB 4.14Å; V112-H114 PolarHBondContact O-N 2.91Å
115I97.1Very high98Very high8 Ų858.7 Ų58.74%0.04131%0.306CS..EExtended strand (participates in β ladder)trans-124.2116.3174.3-52.9171.1000108.1A34 C35 V36 E37 Q113 V129 L139A34-I115 HydrophobicContact CB-CD1 4.19Å; C35-I115 PolarHBondContact O-N 2.93Å; V36-I115 VanDerWaalsContact CA-O 3.29Å; V36-I115 WeakPolarHBondContact CA-O 3.46Å; V36-I115 HydrophobicContact CG2-CB 4.35Å; E37-I115 PolarHBondContact N-O 2.84Å; E37-I115 VanDerWaalsContact N-O 3.13Å; Q113-I115 HydrophobicContact CG-CD1 4.3Å; Q113-I115 HydrophobicContact CG-CG1 3.98Å; I115-V129 HydrophobicContact CG2-CB 4.34Å; I115-V129 HydrophobicContact CG2-CG1 3.86Å; I115-V129 HydrophobicContact CG2-CG2 4.39Å; I115-L139 HydrophobicContact CD1-CD1 3.41Å; I115-L139 VanDerWaalsContact CD1-CD1 3.41Å; I115-L139 HydrophobicContact CD1-CD2 3.72Å; I115-L139 HydrophobicContact CD1-CG 4.15Å
116Q97.4Very high98Very high73 Ų7354.7 Ų54.734%0.34129%0.286SS..EExtended strand (participates in β ladder)trans-84.9121.9178.7-164.8179.814.300110.5E37 D39E37-Q116 CarbonylContact O-C 3.6Å; E37-Q116 VanDerWaalsContact O-CA 3.25Å; E37-Q116 WeakPolarHBondContact O-CA 3.48Å; D39-Q116 PolarHBondContact O-NE2 3.15Å
117G97.7Very high98Very high3 Ų350.6 Ų50.63%0.03126%0.264CS..SBendtrans159.1175.1179.400000113V36 E37 K38 A130V36-G117 WeakPolarHBondContact CG1-O 2.89Å; E37-G117 CarbonylContact C-O 3.46Å; E37-G117 VanDerWaalsContact C-O 3.31Å; E37-G117 PolarHBondContact O-N 3.23Å; K38-G117 VanDerWaalsContact CA-O 3.29Å; K38-G117 WeakPolarHBondContact CA-O 3.41Å; K38-G117 PolarHBondContact N-O 3.3Å; G117-A130 CarbonylContact C-O 3.57Å; G117-A130 WeakPolarHBondContact CA-O 3.23Å
118H98.2Very high98Very high45 Ų4551.6 Ų51.621%0.20827%0.271CS..EExtended strand (participates in β ladder)trans-88.3118.4175.5-171.788.9000109.9K38 V129 A130 N286K38-H118 HydrophobicContact CB-CB 4.49Å; H118-V129 CarbonylContact O-C 3.58Å; H118-V129 WeakPolarHBondContact O-CA 3.32Å; H118-A130 PolarHBondContact N-O 3.21Å; H118-A130 PolarHBondContact O-N 3.39Å; H118-N286 PolarHBondContact NE2-O 2.88Å
119A98.2Very high97.9Very high3 Ų343 Ų433%0.02524%0.238CC..EExtended strand (participates in β ladder)trans-84.8136.4176.100000111.8I13 V36 V127 T128I13-A119 HydrophobicContact CB-CB 4.41Å; I13-A119 HydrophobicContact CD1-CB 4.01Å; I13-A119 HydrophobicContact CG1-CB 3.87Å; I13-A119 HydrophobicContact CG2-CB 3.8Å; V36-A119 HydrophobicContact CB-CB 4.08Å; V36-A119 HydrophobicContact CG1-CB 3.79Å; V36-A119 HydrophobicContact CG2-CB 4.43Å; A119-V127 HydrophobicContact CB-CG1 3.61Å; A119-T128 CarbonylContact C-O 3.56Å; A119-T128 WeakPolarHBondContact CA-O 3.46Å
120T98.5Very high97.9Very high42 Ų4242.5 Ų42.526%0.25823%0.228SC..EExtended strand (participates in β ladder)trans-129.5127.3170.5-58.90000108.6T122 T128 N286T120-T122 PolarHBondContact O-N 3.48Å; T120-T128 PolarHBondContact N-O 3.33Å; T120-T128 PolarHBondContact O-N 3.48Å; T120-N286 PolarHBondContact OG1-O 3.01Å
121I98.7Very high97.8Very high0 Ų043.8 Ų43.80%023%0.231CC..EExtended strand (participates in β ladder)trans-74.5112176.5-57.2170.2000107.7I13 S123 V127 I144 I146 L287 L289 V292 I315I13-I121 HydrophobicContact CD1-CD1 4.12Å; I13-I121 HydrophobicContact CD1-CG1 3.75Å; I121-S123 WeakPolarHBondContact CG2-O 3.01Å; I121-V127 HydrophobicContact CG1-CG2 4.49Å; I121-I144 HydrophobicContact CD1-CG2 4.03Å; I121-I144 HydrophobicContact CG1-CD1 4.41Å; I121-I144 HydrophobicContact CG1-CG2 4.23Å; I121-I144 HydrophobicContact CG2-CD1 3.87Å; I121-I146 HydrophobicContact CD1-CD1 3.71Å; I121-I146 HydrophobicContact CD1-CG1 3.97Å; I121-L287 WeakPolarHBondContact CB-O 3.34Å; I121-L287 WeakPolarHBondContact CG1-O 3.43Å; I121-L287 PolarHBondContact N-O 2.84Å; I121-L289 HydrophobicContact CD1-CD2 4.44Å; I121-V292 HydrophobicContact CG2-CG1 3.63Å; I121-V292 HydrophobicContact CG2-CG2 4.15Å; I121-I315 HydrophobicContact CD1-CG2 4.43Å; I121-I315 HydrophobicContact CG2-CD1 3.99Å
122T97.5Very high97.4Very high54 Ų5442.1 Ų42.133%0.33122%0.22SC..EExtended strand (participates in β ladder)trans-99.8-17.9-176.748.20000112.9T120 E126 T128T120-T122 PolarHBondContact O-N 3.48Å; T122-E126 PolarHBondContact N-O 3.45Å; T122-E126 WeakPolarHBondContact OG1-CG 3.41Å; T122-E126 PolarHBondContact OG1-O 3.3Å; T122-E126 PolarHBondContact OG1-OE1 2.86Å; T122-T128 VanDerWaalsContact CG2-OG1 3.3Å; T122-T128 WeakPolarHBondContact CG2-OG1 3.41Å; T122-T128 PolarHBondContact OG1-OG1 3.39Å
123S97.6Very high97.2Very high41 Ų4147.1 Ų47.129%0.28725%0.246SC..EExtended strand (participates in β ladder)trans-159.3171.3169.477.40000109.9I121 N125 E126 V292I121-S123 WeakPolarHBondContact CG2-O 3.01Å; S123-N125 PolarHBondContact O-N 3.12Å; S123-N125 PolarHBondContact OG-N 3.11Å; S123-E126 PolarHBondContact N-O 2.78Å; S123-E126 PolarHBondContact O-N 3.28Å; S123-E126 WeakPolarHBondContact OG-CB 3.43Å; S123-E126 PolarHBondContact OG-N 3.34Å; S123-V292 VanDerWaalsContact C-CG1 3.48Å
124P97.7Very high96.9Very high53 Ų5347.2 Ų47.234%0.34427%0.267SS..THydrogen-bonded Turntrans-54.2-18.4178.7-29.738.1000116V292 V312 S314P124-V292 HydrophobicContact CG-CG1 4.39Å; P124-V312 HydrophobicContact CB-CG1 3.86Å; P124-V312 HydrophobicContact CG-CG1 4.23Å; P124-S314 PolarHBondContact O-OG 2.86Å
125N97.2Very high96.9Very high77 Ų7746.8 Ų46.841%0.41227%0.269SS..THydrogen-bonded Turntrans-133.518.3-176.2-66.4105.3000112.7S123 K140 T141 K142S123-N125 PolarHBondContact O-N 3.12Å; S123-N125 PolarHBondContact OG-N 3.11Å; N125-K140 WeakPolarHBondContact O-CA 3.39Å; N125-T141 VanDerWaalsContact CA-O 3.28Å; N125-T141 WeakPolarHBondContact CA-O 3.35Å; N125-T141 WeakPolarHBondContact CB-O 3.3Å; N125-T141 PolarHBondContact ND2-O 2.92Å; N125-T141 PolarHBondContact O-N 2.89Å; N125-K142 PolarHBondContact ND2-O 3.35Å; N125-K142 VanDerWaalsContact ND2-O 3.14Å
126E97.9Very high96.8Very high32 Ų3250.5 Ų50.515%0.1530%0.296CS..EExtended strand (participates in β ladder)trans-140.2133.1179.2-169.5-179.292.200111.5T122 S123 K138 L139T122-E126 PolarHBondContact N-O 3.45Å; T122-E126 WeakPolarHBondContact OG1-CG 3.41Å; T122-E126 PolarHBondContact OG1-O 3.3Å; T122-E126 PolarHBondContact OG1-OE1 2.86Å; S123-E126 PolarHBondContact N-O 2.78Å; S123-E126 PolarHBondContact O-N 3.28Å; S123-E126 WeakPolarHBondContact OG-CB 3.43Å; S123-E126 PolarHBondContact OG-N 3.34Å; E126-K138 IonicContact OE1-NZ 2.81Å; E126-K138 PolarHBondContact OE1-NZ 2.91Å; E126-K138 IonicContact OE2-NZ 3.8Å; E126-L139 WeakPolarHBondContact CA-O 3.25Å
127V98.2Very high96.7Very high0 Ų049.5 Ų49.50%029%0.291CS..EExtended strand (participates in β ladder)trans-117.8131.1170.2178.80000108.5V11 I13 A119 I121 V129 L139 I144V11-V127 HydrophobicContact CB-CG2 4.3Å; V11-V127 HydrophobicContact CG1-CB 4.32Å; V11-V127 HydrophobicContact CG1-CG1 4.41Å; V11-V127 HydrophobicContact CG1-CG2 4.05Å; I13-V127 HydrophobicContact CD1-CG1 4.29Å; I13-V127 HydrophobicContact CD1-CG2 4.21Å; A119-V127 HydrophobicContact CB-CG1 3.61Å; I121-V127 HydrophobicContact CG1-CG2 4.49Å; V127-V129 HydrophobicContact CG1-CG2 4.31Å; V127-L139 PolarHBondContact N-O 2.99Å; V127-L139 PolarHBondContact O-N 2.87Å; V127-I144 HydrophobicContact CG2-CD1 3.64Å; V127-I144 HydrophobicContact CG2-CG1 3.91Å; V127-I144 HydrophobicContact CG2-CG2 4.23Å
128T97.9Very high96.7Very high25 Ų2554.6 Ų54.615%0.15331%0.313CS..EExtended strand (participates in β ladder)trans-100.2129.8169.6-60.60000109.3A119 T120 T122 E137A119-T128 CarbonylContact C-O 3.56Å; A119-T128 WeakPolarHBondContact CA-O 3.46Å; T120-T128 PolarHBondContact N-O 3.33Å; T120-T128 PolarHBondContact O-N 3.48Å; T122-T128 VanDerWaalsContact CG2-OG1 3.3Å; T122-T128 WeakPolarHBondContact CG2-OG1 3.41Å; T122-T128 PolarHBondContact OG1-OG1 3.39Å; T128-E137 CarbonylContact C-O 3.58Å; T128-E137 WeakPolarHBondContact CA-O 3.47Å
129V98Very high96.6Very high0 Ų052.7 Ų52.70%030%0.304CS..EExtended strand (participates in β ladder)trans-109.5112.9179.8-174.10000109.4V36 I115 H118 V127 S136 E137 L139V36-V129 HydrophobicContact CG1-CB 4.47Å; V36-V129 HydrophobicContact CG1-CG1 3.69Å; V36-V129 HydrophobicContact CG1-CG2 3.94Å; V36-V129 HydrophobicContact CG2-CG2 3.8Å; I115-V129 HydrophobicContact CG2-CB 4.34Å; I115-V129 HydrophobicContact CG2-CG1 3.86Å; I115-V129 HydrophobicContact CG2-CG2 4.39Å; H118-V129 CarbonylContact O-C 3.58Å; H118-V129 WeakPolarHBondContact O-CA 3.32Å; V127-V129 HydrophobicContact CG1-CG2 4.31Å; V129-S136 CarbonylContact O-C 3.59Å; V129-S136 VanDerWaalsContact O-CA 3.23Å; V129-S136 WeakPolarHBondContact O-CA 3.48Å; V129-E137 PolarHBondContact N-O 3.39Å; V129-E137 PolarHBondContact O-N 2.99Å; V129-L139 HydrophobicContact CG2-CD1 3.78Å; V129-L139 HydrophobicContact CG2-CG 4.38Å
130A97.5Very high96.6Very high51 Ų5157.8 Ų57.842%0.42133%0.325SS..EExtended strand (participates in β ladder)trans-82.9117.7172.100000110G117 H118G117-A130 CarbonylContact C-O 3.57Å; G117-A130 WeakPolarHBondContact CA-O 3.23Å; H118-A130 PolarHBondContact N-O 3.21Å; H118-A130 PolarHBondContact O-N 3.39Å
131K96Very high96.6Very high68 Ų6856.1 Ų56.130%0.29632%0.316SS..  trans-90.3161.1-178.9-61.4-174.9-174.8173.90110.9D133 G134 T135 E137K131-D133 VanDerWaalsContact CB-OD1 3.3Å; K131-D133 WeakPolarHBondContact CB-OD1 3.29Å; K131-D133 PolarHBondContact O-N 2.78Å; K131-G134 PolarHBondContact O-N 2.96Å; K131-G134 VanDerWaalsContact O-N 3.09Å; K131-T135 PolarHBondContact N-O 2.82Å; K131-E137 VanDerWaalsContact CE-OE2 3.26Å; K131-E137 WeakPolarHBondContact CE-OE2 3.35Å; K131-E137 IonicContact NZ-OE2 2.7Å; K131-E137 PolarHBondContact NZ-OE2 2.78Å
132R90.7Very high96.5Very high151 Ų15162.2 Ų62.257%0.5734%0.342SS*.THydrogen-bonded Turntrans-67-21.5-178-68.2-173.5176.7-173.55.6114.3K38 D40 G134K38-R132 PolarHBondContact O-NH2 2.68Å; D40-R132 IonicContact OD1-CZ 2.74Å; D40-R132 IonicContact OD1-NH1 3.43Å; D40-R132 PolarHBondContact OD1-NH1 2.77Å; D40-R132 IonicContact OD1-NH2 3.24Å; D40-R132 PolarHBondContact OD1-NH2 3.41Å; D40-R132 VanDerWaalsContact OD1-NH2 3.07Å; D40-R132 IonicContact OD2-CZ 3.45Å; D40-R132 IonicContact OD2-NH1 3.93Å; D40-R132 PolarHBondContact OD2-NH1 2.75Å; D40-R132 IonicContact OD2-NH2 2.79Å; D40-R132 PolarHBondContact OD2-NH2 2.91Å; R132-G134 PolarHBondContact O-N 3.28Å
133D92.7Very high96.6Very high116 Ų11661.2 Ų61.262%0.6233%0.334SS*.THydrogen-bonded Turntrans-80.24.6174.864.81.5000113.1K131 T135K131-D133 VanDerWaalsContact CB-OD1 3.3Å; K131-D133 WeakPolarHBondContact CB-OD1 3.29Å; K131-D133 PolarHBondContact O-N 2.78Å; D133-T135 VanDerWaalsContact C-N 3.26Å; D133-T135 PolarHBondContact O-N 2.96Å; D133-T135 VanDerWaalsContact OD1-CB 3.3Å; D133-T135 WeakPolarHBondContact OD1-CB 3.42Å; D133-T135 WeakPolarHBondContact OD1-CG2 3.49Å; D133-T135 PolarHBondContact OD1-N 2.79Å; D133-T135 PolarHBondContact OD1-OG1 2.87Å; D133-T135 PolarHBondContact OD2-OG1 3.03Å
134G93.3Very high96.7Very high73 Ų7359.2 Ų59.275%0.75332%0.321SS*.SBendtrans82.2-2.5-17800000114K131 R132K131-G134 PolarHBondContact O-N 2.96Å; K131-G134 VanDerWaalsContact O-N 3.09Å; R132-G134 PolarHBondContact O-N 3.28Å
135T96Very high96.7Very high68 Ų6856.7 Ų56.742%0.41730%0.304SS..  trans-78.7161.6173.669.60000111.2K131 D133K131-T135 PolarHBondContact N-O 2.82Å; D133-T135 VanDerWaalsContact C-N 3.26Å; D133-T135 PolarHBondContact O-N 2.96Å; D133-T135 VanDerWaalsContact OD1-CB 3.3Å; D133-T135 WeakPolarHBondContact OD1-CB 3.42Å; D133-T135 WeakPolarHBondContact OD1-CG2 3.49Å; D133-T135 PolarHBondContact OD1-N 2.79Å; D133-T135 PolarHBondContact OD1-OG1 2.87Å; D133-T135 PolarHBondContact OD2-OG1 3.03Å
136S95.9Very high96.8Very high86 Ų8653 Ų5360%0.60129%0.285SS*.EExtended strand (participates in β ladder)trans-128.8148.3171.659.40000111.1V129V129-S136 CarbonylContact O-C 3.59Å; V129-S136 VanDerWaalsContact O-CA 3.23Å; V129-S136 WeakPolarHBondContact O-CA 3.48Å
137E95.3Very high96.9Very high51 Ų5152 Ų5224%0.23828%0.282CS..EExtended strand (participates in β ladder)trans-125.3134.7176-179175.3166.100109.5T128 V129 K131 L139T128-E137 CarbonylContact C-O 3.58Å; T128-E137 WeakPolarHBondContact CA-O 3.47Å; V129-E137 PolarHBondContact N-O 3.39Å; V129-E137 PolarHBondContact O-N 2.99Å; K131-E137 VanDerWaalsContact CE-OE2 3.26Å; K131-E137 WeakPolarHBondContact CE-OE2 3.35Å; K131-E137 IonicContact NZ-OE2 2.7Å; K131-E137 PolarHBondContact NZ-OE2 2.78Å; E137-L139 HydrophobicContact CG-CD2 4.23Å
138K96.7Very high96.9Very high110 Ų11053 Ų5348%0.47829%0.289SS..EExtended strand (participates in β ladder)trans-99.1129.6175.2-69.8-174.8164-136.40110.5E126E126-K138 IonicContact OE1-NZ 2.81Å; E126-K138 PolarHBondContact OE1-NZ 2.91Å; E126-K138 IonicContact OE2-NZ 3.8Å
139L97.2Very high96.9Very high6 Ų652.6 Ų52.63%0.03129%0.29CS..EExtended strand (participates in β ladder)trans-113.2113.6177.2-56.2173.8000108.7V11 V36 I115 E126 V127 V129 E137V11-L139 HydrophobicContact CG1-CD1 4.37Å; V11-L139 HydrophobicContact CG2-CB 4.13Å; V11-L139 HydrophobicContact CG2-CD1 4.18Å; V36-L139 HydrophobicContact CG2-CD1 4.13Å; I115-L139 HydrophobicContact CD1-CD1 3.41Å; I115-L139 VanDerWaalsContact CD1-CD1 3.41Å; I115-L139 HydrophobicContact CD1-CD2 3.72Å; I115-L139 HydrophobicContact CD1-CG 4.15Å; E126-L139 WeakPolarHBondContact CA-O 3.25Å; V127-L139 PolarHBondContact N-O 2.99Å; V127-L139 PolarHBondContact O-N 2.87Å; V129-L139 HydrophobicContact CG2-CD1 3.78Å; V129-L139 HydrophobicContact CG2-CG 4.38Å; E137-L139 HydrophobicContact CG-CD2 4.23Å
140K97.8Very high96.9Very high109 Ų10953.1 Ų53.147%0.47429%0.293SS..EExtended strand (participates in β ladder)trans-82.1134.1168.4-72.4-174.6179.6-176.70109.5D7 V8 N125D7-K140 WeakPolarHBondContact OD1-CB 3.31Å; V8-K140 PolarHBondContact N-O 2.9Å; V8-K140 VanDerWaalsContact N-O 3.14Å; N125-K140 WeakPolarHBondContact O-CA 3.39Å
141T98.3Very high97Very high8 Ų853.3 Ų53.35%0.04929%0.285CS..EExtended strand (participates in β ladder)trans-149.4152-176.1-168.80000114.4V8 I10 V11 N125 N143 I144V8-T141 WeakPolarHBondContact O-CA 3.37Å; V8-T141 WeakPolarHBondContact O-CB 3.5Å; V8-T141 PolarHBondContact O-OG1 2.86Å; I10-T141 WeakPolarHBondContact CA-OG1 3.37Å; I10-T141 PolarHBondContact N-OG1 2.7Å; V11-T141 HydrophobicContact CB-CG2 4.2Å; V11-T141 HydrophobicContact CG2-CG2 3.8Å; V11-T141 PolarHBondContact N-OG1 3Å; N125-T141 VanDerWaalsContact CA-O 3.28Å; N125-T141 WeakPolarHBondContact CA-O 3.35Å; N125-T141 WeakPolarHBondContact CB-O 3.3Å; N125-T141 PolarHBondContact ND2-O 2.92Å; N125-T141 PolarHBondContact O-N 2.89Å; T141-N143 WeakPolarHBondContact CG2-O 3.21Å; T141-N143 PolarHBondContact OG1-N 2.9Å; T141-N143 PolarHBondContact OG1-O 3.45Å; T141-N143 VanDerWaalsContact OG1-O 3.05Å; T141-I144 HydrophobicContact CG2-CD1 4.26Å; T141-I144 HydrophobicContact CG2-CG1 3.54Å
142K98.1Very high97.1Very high127 Ų12751.7 Ų51.755%0.55228%0.281SS*.EExtended strand (participates in β ladder)trans-74.2-39.8173.6-60.8175.9-176.1160.40111.7V8 D9 N125 S314V8-K142 PolarHBondContact O-N 3.35Å; D9-K142 WeakPolarHBondContact O-CB 3.4Å; D9-K142 WeakPolarHBondContact OD1-CE 3.09Å; D9-K142 IonicContact OD1-NZ 2.72Å; D9-K142 PolarHBondContact OD1-NZ 3Å; N125-K142 PolarHBondContact ND2-O 3.35Å; N125-K142 VanDerWaalsContact ND2-O 3.14Å; K142-S314 WeakPolarHBondContact O-CB 3.22Å
143N98.7Very high97.4Very high33 Ų3346.4 Ų46.418%0.17627%0.266CS..EExtended strand (participates in β ladder)trans-132.7146.4-176.6-53.7-77.2000111.7D9 I10 V11 T141 S314 F316D9-N143 PolarHBondContact O-N 3.26Å; D9-N143 VanDerWaalsContact O-N 3.11Å; D9-N143 PolarHBondContact O-ND2 2.86Å; D9-N143 VanDerWaalsContact O-ND2 3.09Å; I10-N143 VanDerWaalsContact CA-O 3.31Å; I10-N143 WeakPolarHBondContact CA-O 3.32Å; I10-N143 HydrophobicContact CB-CB 4.36Å; I10-N143 HydrophobicContact CG1-CB 4.15Å; V11-N143 PolarHBondContact N-O 2.69Å; T141-N143 WeakPolarHBondContact CG2-O 3.21Å; T141-N143 PolarHBondContact OG1-N 2.9Å; T141-N143 PolarHBondContact OG1-O 3.45Å; T141-N143 VanDerWaalsContact OG1-O 3.05Å; N143-S314 CarbonylContact C-O 3.59Å; N143-S314 VanDerWaalsContact CA-O 3.31Å; N143-S314 WeakPolarHBondContact CA-O 3.24Å; N143-F316 HydrophobicContact CB-CE2 4.43Å
144I98.8Very high97.6Very high0 Ų043.9 Ų43.90%026%0.255CS..EExtended strand (participates in β ladder)trans-121.5129.1173.4-58.9170000108.1V11 I13 I121 V127 T141 I146 S314 I315 F316V11-I144 WeakPolarHBondContact O-CA 3.31Å; I13-I144 HydrophobicContact CD1-CG2 3.79Å; I13-I144 HydrophobicContact CG1-CG2 4.39Å; I121-I144 HydrophobicContact CD1-CG2 4.03Å; I121-I144 HydrophobicContact CG1-CD1 4.41Å; I121-I144 HydrophobicContact CG1-CG2 4.23Å; I121-I144 HydrophobicContact CG2-CD1 3.87Å; V127-I144 HydrophobicContact CG2-CD1 3.64Å; V127-I144 HydrophobicContact CG2-CG1 3.91Å; V127-I144 HydrophobicContact CG2-CG2 4.23Å; T141-I144 HydrophobicContact CG2-CD1 4.26Å; T141-I144 HydrophobicContact CG2-CG1 3.54Å; I144-I146 HydrophobicContact CG2-CG1 4.46Å; I144-S314 PolarHBondContact N-O 2.93Å; I144-I315 HydrophobicContact CB-CG1 4.22Å; I144-I315 HydrophobicContact CB-CG2 4.41Å; I144-I315 HydrophobicContact CD1-CD1 4.39Å; I144-I315 HydrophobicContact CD1-CG1 4.3Å; I144-I315 CarbonylContact O-C 3.59Å; I144-I315 WeakPolarHBondContact O-CA 3.44Å; I144-F316 PolarHBondContact O-N 3.01Å
145L98.9Very high97.7Very high0 Ų042.3 Ų42.30%023%0.228CC..EExtended strand (participates in β ladder)trans-114.8113.7175.1176.960.7000110.1I10 V11 V12 I13 A22 F316 I318 V339I10-L145 HydrophobicContact CD1-CB 4.09Å; I10-L145 HydrophobicContact CG1-CB 4.49Å; V11-L145 PolarHBondContact O-N 2.96Å; V12-L145 CarbonylContact C-O 3.58Å; V12-L145 WeakPolarHBondContact CA-O 3.47Å; V12-L145 HydrophobicContact CG1-CD2 4.31Å; V12-L145 HydrophobicContact CG1-CG 4.4Å; V12-L145 HydrophobicContact CG2-CB 4.3Å; V12-L145 HydrophobicContact CG2-CD2 4.2Å; I13-L145 PolarHBondContact N-O 2.85Å; A22-L145 HydrophobicContact CB-CD2 3.41Å; A22-L145 VanDerWaalsContact CB-CD2 3.41Å; L145-F316 HydrophobicContact CD1-CB 3.72Å; L145-I318 HydrophobicContact CD1-CB 4.45Å; L145-I318 HydrophobicContact CD1-CD1 4.13Å; L145-I318 HydrophobicContact CD1-CG1 3.93Å; L145-I318 HydrophobicContact CD1-CG2 3.89Å; L145-I318 HydrophobicContact CD2-CD1 3.98Å; L145-I318 HydrophobicContact CG-CD1 4.25Å; L145-I318 HydrophobicContact CG-CG1 4.37Å; L145-V339 HydrophobicContact CD2-CG1 4.14Å
146I98.9Very high97.7Very high0 Ų044.6 Ų44.60%024%0.244CC..EExtended strand (participates in β ladder)trans-86.3112.5178.4-54.9168.9000108.9I121 I144 L287 L289 I302 I315 F316 A317 I318I121-I146 HydrophobicContact CD1-CD1 3.71Å; I121-I146 HydrophobicContact CD1-CG1 3.97Å; I144-I146 HydrophobicContact CG2-CG1 4.46Å; I146-L287 HydrophobicContact CG2-CD1 3.88Å; I146-L289 HydrophobicContact CD1-CD2 3.76Å; I146-I302 HydrophobicContact CB-CD1 4.28Å; I146-I302 HydrophobicContact CD1-CD1 3.88Å; I146-I302 HydrophobicContact CG2-CD1 3.72Å; I146-I315 HydrophobicContact CD1-CG2 3.69Å; I146-I315 HydrophobicContact CG1-CG2 4.16Å; I146-F316 WeakPolarHBondContact CB-O 3.33Å; I146-F316 PolarHBondContact N-O 3.33Å; I146-A317 HydrophobicContact CB-CB 4.03Å; I146-A317 VanDerWaalsContact O-CA 3.29Å; I146-A317 WeakPolarHBondContact O-CA 3.48Å; I146-I318 PolarHBondContact O-N 3.03Å
147A98.9Very high97.6Very high10 Ų1044.4 Ų44.48%0.08326%0.256CS..  trans-125.841.517500000110.1V12 I13 G19 G149 I318V12-A147 HydrophobicContact CG1-CB 4.32Å; I13-A147 CarbonylContact O-C 3.59Å; I13-A147 VanDerWaalsContact O-CA 3.32Å; I13-A147 WeakPolarHBondContact O-CA 3.37Å; I13-A147 PolarHBondContact O-N 2.79Å; G19-A147 VanDerWaalsContact CA-CB 3.48Å; A147-G149 PolarHBondContact O-N 2.97Å; A147-I318 HydrophobicContact CB-CD1 4.16Å; A147-I318 HydrophobicContact CB-CG1 3.93Å
148S98.7Very high97.7Very high22 Ų2242.6 Ų42.615%0.15425%0.247CC..  trans-70.2-10.7-17159.20000114.5I13 Y283I13-S148 PolarHBondContact O-N 3.45Å; S148-Y283 VanDerWaalsContact CB-O 3.25Å; S148-Y283 WeakPolarHBondContact CB-O 3.49Å; S148-Y283 PolarHBondContact OG-O 2.85Å
149G98.7Very high97.7Very high16 Ų1645.6 Ų45.617%0.16526%0.263CS..  trans75.5-141.6170.100000113.7A147 Y283A147-G149 PolarHBondContact O-N 2.97Å; G149-Y283 PolarHBondContact O-N 2.96Å
150S98.8Very high97.7Very high11 Ų1147.6 Ų47.68%0.07727%0.273CS..EExtended strand (participates in β ladder)trans-141.5166.7-174.351.90000112.5R280 R281 D320S150-R280 PolarHBondContact O-NH2 3.45Å; S150-R280 PolarHBondContact OG-NE 3.48Å; S150-R280 PolarHBondContact OG-NH2 3.13Å; S150-R281 CarbonylContact C-O 3.35Å; S150-R281 WeakPolarHBondContact CA-O 3.47Å; S150-R281 WeakPolarHBondContact CB-O 3.36Å; S150-D320 WeakPolarHBondContact CB-OD2 3.32Å; S150-D320 PolarHBondContact OG-OD2 2.84Å
151E98.2Very high97.6Very high55 Ų5545.7 Ų45.726%0.25727%0.268SS..EExtended strand (participates in β ladder)trans-129.5171.6171.761.4177-164.200111.2R280 R281 Y283E151-R280 CarbonylContact O-C 3.59Å; E151-R280 VanDerWaalsContact O-CA 3.27Å; E151-R280 WeakPolarHBondContact O-CA 3.42Å; E151-R281 HydrophobicContact CG-CG 3.75Å; E151-R281 PolarHBondContact N-O 2.99Å; E151-R281 PolarHBondContact O-N 3.5Å; E151-R281 IonicContact OE1-CZ 3.2Å; E151-R281 IonicContact OE1-NE 3.45Å; E151-R281 PolarHBondContact OE1-NE 3.07Å; E151-R281 IonicContact OE1-NH2 3.41Å; E151-R281 PolarHBondContact OE1-NH2 3.17Å; E151-Y283 HydrophobicContact CB-CD2 4.41Å; E151-Y283 HydrophobicContact CG-CD2 4.34Å; E151-Y283 WeakPolarHBondContact OE2-CD2 3.42Å
152V98.1Very high97.6Very high34 Ų3449 Ų4921%0.20628%0.283CS..EExtended strand (participates in β ladder)trans-66.6133.3178175.90000109.2P154 I160V152-P154 WeakPolarHBondContact O-CD 3.44Å; V152-I160 HydrophobicContact CG1-CD1 4.14Å
153T98.1Very high97.4Very high40 Ų4050.9 Ų50.925%0.24529%0.291CS..PPolyproline II helixtrans-72.4117.5171.2-62.10000108.8V278 G279 R280T153-V278 HydrophobicContact CG2-CG2 4.3Å; T153-G279 PolarHBondContact N-O 2.93Å; T153-G279 VanDerWaalsContact N-O 3.11Å; T153-G279 PolarHBondContact OG1-O 3.39Å; T153-R280 WeakPolarHBondContact OG1-CA 3.44Å; T153-R280 PolarHBondContact OG1-N 3.43Å; T153-R280 PolarHBondContact OG1-O 3.11Å
154P95.7Very high97.3Very high62 Ų6252.4 Ų52.440%0.40330%0.295SS..PPolyproline II helixtrans-66.9149.4177.728.9-34.4000110.2V152V152-P154 WeakPolarHBondContact O-CD 3.44Å
155F96.8Very high97.3Very high41 Ų4152.5 Ų52.518%0.1830%0.295CS..BIsolated β-bridgetrans-94.6119.2172-166.3-76.5000109.2G157 I158 I184 V243 V276 V278F155-G157 PolarHBondContact O-N 3.03Å; F155-I158 HydrophobicContact CB-CB 4.25Å; F155-I158 HydrophobicContact CD1-CB 4.16Å; F155-I158 HydrophobicContact CD1-CD1 3.5Å; F155-I158 VanDerWaalsContact CD1-CD1 3.5Å; F155-I158 HydrophobicContact CD1-CG1 3.76Å; F155-I158 HydrophobicContact CE1-CD1 3.86Å; F155-I158 HydrophobicContact CE1-CG1 4.35Å; F155-I158 HydrophobicContact CG-CD1 4.1Å; F155-I158 PolarHBondContact O-N 3.39Å; F155-I184 HydrophobicContact CD2-CG2 4.02Å; F155-I184 HydrophobicContact CE2-CG2 3.82Å; F155-V243 HydrophobicContact CE1-CG1 4.5Å; F155-V243 HydrophobicContact CE2-CB 4.44Å; F155-V243 HydrophobicContact CZ-CB 3.91Å; F155-V243 HydrophobicContact CZ-CG1 4.32Å; F155-V243 WeakPolarHBondContact CZ-O 3.5Å; F155-V276 HydrophobicContact CB-CG1 3.75Å; F155-V278 HydrophobicContact CD2-CG1 3.8Å; F155-V278 HydrophobicContact CD2-CG2 4.36Å; F155-V278 HydrophobicContact CE2-CG1 4.21Å
156P94.9Very high97.2Very high116 Ų11652.6 Ų52.675%0.75330%0.296SS*.THydrogen-bonded Turntrans-54125.1-178-27.335.4000112.5I158P156-I158 VanDerWaalsContact C-N 3.33Å
157G94.6Very high97.2Very high82 Ų8252.7 Ų52.785%0.84530%0.297SS*.THydrogen-bonded Turntrans81.81.4179.800000115.7F155F155-G157 PolarHBondContact O-N 3.03Å
158I96.6Very high97.2Very high13 Ų1352.9 Ų52.97%0.06730%0.297CS..BIsolated β-bridgetrans-120.2112.6172.9-59.3179000108.4F155 P156 V165 I184 V243 A246 L274 V276F155-I158 HydrophobicContact CB-CB 4.25Å; F155-I158 HydrophobicContact CD1-CB 4.16Å; F155-I158 HydrophobicContact CD1-CD1 3.5Å; F155-I158 VanDerWaalsContact CD1-CD1 3.5Å; F155-I158 HydrophobicContact CD1-CG1 3.76Å; F155-I158 HydrophobicContact CE1-CD1 3.86Å; F155-I158 HydrophobicContact CE1-CG1 4.35Å; F155-I158 HydrophobicContact CG-CD1 4.1Å; F155-I158 PolarHBondContact O-N 3.39Å; P156-I158 VanDerWaalsContact C-N 3.33Å; I158-V165 HydrophobicContact CG2-CG1 3.72Å; I158-I184 HydrophobicContact CD1-CD1 3.74Å; I158-V243 HydrophobicContact CD1-CG1 4.06Å; I158-A246 HydrophobicContact CD1-CB 3.69Å; I158-A246 HydrophobicContact CG1-CB 3.98Å; I158-A246 HydrophobicContact CG2-CB 4.21Å; I158-L274 HydrophobicContact CG2-CD2 4.35Å; I158-V276 HydrophobicContact CG2-CG2 4.19Å
159E96.2Very high97.2Very high173 Ų17354.5 Ų54.581%0.80831%0.306SS*.  trans-84.2129175.9-171175.3177.900110.3V165E159-V165 WeakPolarHBondContact O-CG1 3.46Å
160I97.6Very high97.1Very high48 Ų4854.3 Ų54.325%0.24630%0.304CS..  trans-85118.3174.7-67.2169.5000107.7V152 E162 V165 V276V152-I160 HydrophobicContact CG1-CD1 4.14Å; I160-E162 HydrophobicContact CG2-CG 3.93Å; I160-V165 CarbonylContact C-O 3.57Å; I160-V165 WeakPolarHBondContact CA-O 3.38Å; I160-V165 HydrophobicContact CG1-CG1 4.32Å; I160-V165 WeakPolarHBondContact CG2-O 3.43Å; I160-V276 HydrophobicContact CD1-CB 4Å; I160-V276 HydrophobicContact CD1-CG1 4.26Å; I160-V276 HydrophobicContact CD1-CG2 4.5Å; I160-V276 HydrophobicContact CG1-CB 4.25Å; I160-V276 HydrophobicContact CG1-CG2 4.2Å
161D96.1Very high97.1Very high69 Ų6953.8 Ų53.837%0.36930%0.301SS..  trans-101.5-6.8-179.770.33.4000113.5K163 R164 V165D161-K163 PolarHBondContact O-N 3.45Å; D161-K163 VanDerWaalsContact O-N 3.11Å; D161-K163 PolarHBondContact OD1-N 3.49Å; D161-R164 PolarHBondContact OD1-N 3.01Å; D161-V165 PolarHBondContact N-O 3.35Å; D161-V165 PolarHBondContact OD1-N 3.35Å; D161-V165 VanDerWaalsContact OD1-O 3.07Å
162E97.4Very high97.1Very high78 Ų7851.4 Ų51.436%0.36429%0.29SS..SBendtrans53.323.7-174.5-56.6-67.5-169.500114.3I160 V165 L166 S167 G170I160-E162 HydrophobicContact CG2-CG 3.93Å; E162-V165 PolarHBondContact N-O 3.47Å; E162-L166 WeakPolarHBondContact OE2-CA 3.35Å; E162-S167 VanDerWaalsContact OE1-CB 3.23Å; E162-S167 WeakPolarHBondContact OE1-CB 3.38Å; E162-S167 PolarHBondContact OE1-N 3.14Å; E162-S167 PolarHBondContact OE1-OG 3.36Å; E162-S167 PolarHBondContact OE2-N 3.48Å; E162-G170 VanDerWaalsContact OE2-CA 3.24Å; E162-G170 WeakPolarHBondContact OE2-CA 3.23Å; E162-G170 PolarHBondContact OE2-N 3.26Å
163K94.9Very high97.1Very high166 Ų16653.3 Ų53.372%0.72230%0.304SS*.SBendtrans-117.7-51.3173.3-66.6177.6-176.8175.50111.7D161D161-K163 PolarHBondContact O-N 3.45Å; D161-K163 VanDerWaalsContact O-N 3.11Å; D161-K163 PolarHBondContact OD1-N 3.49Å
164R96Very high97.1Very high64 Ų6452.1 Ų52.124%0.24230%0.297CS..SBendtrans-128.5-33.3178.4-57.4-178.461.2179.95.7111.9D161 G250 D251 I253 D272 V273 L274D161-R164 PolarHBondContact OD1-N 3.01Å; R164-G250 PolarHBondContact NH1-O 3.39Å; R164-D251 VanDerWaalsContact NH2-C 3.27Å; R164-D251 PolarHBondContact NH2-O 3.44Å; R164-I253 HydrophobicContact CB-CD1 3.72Å; R164-I253 HydrophobicContact CB-CG1 4.47Å; R164-I253 VanDerWaalsContact O-CD1 3.31Å; R164-I253 WeakPolarHBondContact O-CD1 3.44Å; R164-D272 PolarHBondContact NE-O 2.9Å; R164-D272 PolarHBondContact NH2-O 2.55Å; R164-V273 CarbonylContact O-C 3.55Å; R164-V273 WeakPolarHBondContact O-CA 2.95Å; R164-L274 PolarHBondContact O-N 3.17Å
165V98.2Very high97.1Very high3 Ų356.3 Ų56.32%0.01832%0.316CS..EExtended strand (participates in β ladder)trans-101.9104168.6-173.90000107.2I158 E159 I160 D161 E162 T248 I253 L274 V276I158-V165 HydrophobicContact CG2-CG1 3.72Å; E159-V165 WeakPolarHBondContact O-CG1 3.46Å; I160-V165 CarbonylContact C-O 3.57Å; I160-V165 WeakPolarHBondContact CA-O 3.38Å; I160-V165 HydrophobicContact CG1-CG1 4.32Å; I160-V165 WeakPolarHBondContact CG2-O 3.43Å; D161-V165 PolarHBondContact N-O 3.35Å; D161-V165 PolarHBondContact OD1-N 3.35Å; D161-V165 VanDerWaalsContact OD1-O 3.07Å; E162-V165 PolarHBondContact N-O 3.47Å; V165-T248 HydrophobicContact CG2-CG2 3.67Å; V165-I253 HydrophobicContact CG2-CD1 3.91Å; V165-L274 CarbonylContact C-O 3.26Å; V165-L274 WeakPolarHBondContact CA-O 2.99Å; V165-L274 HydrophobicContact CG1-CD2 4.17Å; V165-L274 HydrophobicContact CG1-CG 4.49Å; V165-L274 HydrophobicContact CG2-CB 4.47Å; V165-L274 HydrophobicContact CG2-CD2 4.44Å; V165-V276 HydrophobicContact CG1-CG2 3.97Å
166L98.5Very high97.2Very high1 Ų157 Ų571%0.00533%0.329CS..EExtended strand (participates in β ladder)trans-108.2150.7-167.3-49.3-179.1000111.1E162 A171 L174 V273 L274 V276E162-L166 WeakPolarHBondContact OE2-CA 3.35Å; L166-A171 HydrophobicContact CD1-CB 4.22Å; L166-L174 HydrophobicContact CD1-CD1 4.22Å; L166-L174 HydrophobicContact CD1-CD2 3.64Å; L166-L174 HydrophobicContact CD1-CG 4Å; L166-V273 HydrophobicContact CD1-CG1 3.41Å; L166-V273 VanDerWaalsContact CD1-CG1 3.41Å; L166-V273 HydrophobicContact CG-CG1 3.91Å; L166-L274 PolarHBondContact N-O 3.12Å; L166-V276 PolarHBondContact O-N 3.45Å
167S98.7Very high97.3Very high3 Ų353.5 Ų53.52%0.02131%0.305CS..  trans-85.6-173.3152.777.70000110.3E162 T169 G170 A171 L275E162-S167 VanDerWaalsContact OE1-CB 3.23Å; E162-S167 WeakPolarHBondContact OE1-CB 3.38Å; E162-S167 PolarHBondContact OE1-N 3.14Å; E162-S167 PolarHBondContact OE1-OG 3.36Å; E162-S167 PolarHBondContact OE2-N 3.48Å; S167-T169 PolarHBondContact O-N 3.06Å; S167-T169 WeakPolarHBondContact OG-CB 3.49Å; S167-T169 PolarHBondContact OG-N 3.39Å; S167-T169 PolarHBondContact OG-OG1 2.93Å; S167-G170 PolarHBondContact O-N 3.2Å; S167-A171 WeakPolarHBondContact O-CB 3.49Å; S167-A171 PolarHBondContact O-N 3.34Å; S167-A171 VanDerWaalsContact O-N 3.13Å; S167-L275 VanDerWaalsContact O-CD1 3.31Å; S167-L275 WeakPolarHBondContact O-CD1 3.42Å
168S98.2Very high97.5Very high14 Ų1450.1 Ų50.110%0.09827%0.268CS..Hα-helixtrans-56.8-29.6168.355.40000112.7L172S168-L172 WeakPolarHBondContact O-CD1 3.36Å; S168-L172 VanDerWaalsContact O-CG 3.22Å; S168-L172 WeakPolarHBondContact O-CG 3.1Å; S168-L172 PolarHBondContact O-N 3.18Å
169T98.1Very high97.6Very high56 Ų5657.6 Ų57.634%0.34430%0.3SS..Hα-helixtrans-64.8-52.3-179.5-56.80000111.5V49 S167 L172V49-T169 HydrophobicContact CB-CG2 4.36Å; V49-T169 HydrophobicContact CG1-CG2 3.92Å; S167-T169 PolarHBondContact O-N 3.06Å; S167-T169 WeakPolarHBondContact OG-CB 3.49Å; S167-T169 PolarHBondContact OG-N 3.39Å; S167-T169 PolarHBondContact OG-OG1 2.93Å; T169-L172 PolarHBondContact O-N 3.21Å
170G98.1Very high97.7Very high12 Ų1253.5 Ų53.512%0.12428%0.277CS..Hα-helixtrans-64-41175.900000112.2E162 S167 L172 S173 L174E162-G170 VanDerWaalsContact OE2-CA 3.24Å; E162-G170 WeakPolarHBondContact OE2-CA 3.23Å; E162-G170 PolarHBondContact OE2-N 3.26Å; S167-G170 PolarHBondContact O-N 3.2Å; G170-L172 PolarHBondContact O-N 3.32Å; G170-L172 VanDerWaalsContact O-N 3.12Å; G170-S173 CarbonylContact O-C 3.55Å; G170-S173 PolarHBondContact O-N 3.24Å; G170-L174 PolarHBondContact O-N 3.2Å
171A98.4Very high97.7Very high0 Ų051.2 Ų51.20%027%0.266CS..Hα-helixtrans-65.3-15.9179.800000114.3L166 S167 S173 M181 L193 W197 L275L166-A171 HydrophobicContact CD1-CB 4.22Å; S167-A171 WeakPolarHBondContact O-CB 3.49Å; S167-A171 PolarHBondContact O-N 3.34Å; S167-A171 VanDerWaalsContact O-N 3.13Å; A171-S173 VanDerWaalsContact C-N 3.34Å; A171-M181 HydrophobicContact CB-CE 4.44Å; A171-L193 HydrophobicContact CB-CD1 4.07Å; A171-W197 VanDerWaalsContact O-CZ2 3.24Å; A171-W197 WeakPolarHBondContact O-CZ2 3.43Å; A171-W197 PolarHBondContact O-NE1 3.19Å; A171-L275 HydrophobicContact CB-CD1 3.91Å; A171-L275 HydrophobicContact CB-CD2 4.27Å
172L98.5Very high97.9Very high5 Ų548.2 Ų48.23%0.02625%0.25CC..THydrogen-bonded Turntrans-85.7-3.8172.7-74.7168.3000113.5V49 P53 L57 K92 S168 T169 G170 L193V49-L172 WeakPolarHBondContact O-CD1 3.43Å; P53-L172 HydrophobicContact CB-CD1 4.06Å; P53-L172 HydrophobicContact CB-CD2 4.11Å; P53-L172 HydrophobicContact CG-CD1 3.77Å; L57-L172 HydrophobicContact CD1-CD2 3.92Å; K92-L172 PolarHBondContact NZ-O 3.24Å; S168-L172 WeakPolarHBondContact O-CD1 3.36Å; S168-L172 VanDerWaalsContact O-CG 3.22Å; S168-L172 WeakPolarHBondContact O-CG 3.1Å; S168-L172 PolarHBondContact O-N 3.18Å; T169-L172 PolarHBondContact O-N 3.21Å; G170-L172 PolarHBondContact O-N 3.32Å; G170-L172 VanDerWaalsContact O-N 3.12Å; L172-L193 HydrophobicContact CD2-CD2 3.62Å; L172-L193 HydrophobicContact CG-CD2 4.21Å
173S97.6Very high97.9Very high73 Ų7344.5 Ų44.551%0.5123%0.232SC..SBendtrans-140.521.6-169.3-52.30000113.9K92 G170 A171K92-S173 PolarHBondContact NZ-OG 3.15Å; G170-S173 CarbonylContact O-C 3.55Å; G170-S173 PolarHBondContact O-N 3.24Å; A171-S173 VanDerWaalsContact C-N 3.34Å
174L97.9Very high98.1Very high16 Ų1636.9 Ų36.98%0.08420%0.199CC..  trans-58.1139.9171.4-72.8175.2000111.1L166 G170 P178 W197 V273L166-L174 HydrophobicContact CD1-CD1 4.22Å; L166-L174 HydrophobicContact CD1-CD2 3.64Å; L166-L174 HydrophobicContact CD1-CG 4Å; G170-L174 PolarHBondContact O-N 3.2Å; L174-P178 HydrophobicContact CD1-CG 4.2Å; L174-W197 HydrophobicContact CB-CH2 3.53Å; L174-W197 HydrophobicContact CB-CZ2 3.66Å; L174-W197 HydrophobicContact CB-CZ3 4.31Å; L174-W197 HydrophobicContact CD1-CD2 4.2Å; L174-W197 HydrophobicContact CD1-CH2 4.13Å; L174-W197 HydrophobicContact CD1-CZ2 3.76Å; L174-W197 HydrophobicContact CD1-CZ3 4.47Å; L174-W197 HydrophobicContact CG-CH2 4.35Å; L174-W197 HydrophobicContact CG-CZ2 4.05Å; L174-V273 HydrophobicContact CD1-CG1 4.43Å; L174-V273 HydrophobicContact CD2-CG2 4.34Å
175D96.3Very high98.2Very high150 Ų15034 Ų3480%0.80219%0.19SC*.SBendtrans-87.8-17.2-17960.9-11.1000113.4
176A97.7Very high98.2Very high55 Ų5534 Ų3446%0.45519%0.19SC..SBendtrans-139.7156.3174.500000111.4P178A176-P178 WeakPolarHBondContact O-CD 3.4Å
177V98.5Very high98.2Very high42 Ų4234.7 Ų34.726%0.25520%0.198SC..  trans-71.5121.2170.9-177.80000108.2L83 L85 W197 L200 A202L83-V177 HydrophobicContact CD2-CG2 3.61Å; L85-V177 HydrophobicContact CD2-CG2 4.33Å; V177-W197 HydrophobicContact CG1-CE3 4.47Å; V177-W197 HydrophobicContact CG2-CZ3 4.25Å; V177-L200 HydrophobicContact CG1-CB 4.2Å; V177-L200 HydrophobicContact CG2-CB 3.87Å; V177-A202 HydrophobicContact CG1-CB 4.14Å
178P98Very high98.2Very high11 Ų1136.9 Ų36.97%0.07121%0.211CC..  trans-66.4146.4177.527.6-32.5000110L174 A176 M181 A202 V273L174-P178 HydrophobicContact CD1-CG 4.2Å; A176-P178 WeakPolarHBondContact O-CD 3.4Å; P178-M181 HydrophobicContact CG-CB 4.16Å; P178-M181 HydrophobicContact CG-SD 4.5Å; P178-A202 HydrophobicContact CG-CB 4.04Å; P178-A202 VanDerWaalsContact O-CA 3.3Å; P178-A202 WeakPolarHBondContact O-CA 3.48Å; P178-A202 WeakPolarHBondContact O-CB 3.43Å; P178-V273 HydrophobicContact CB-CB 4.09Å; P178-V273 HydrophobicContact CB-CG2 3.83Å; P178-V273 HydrophobicContact CG-CG2 4.48Å
179K98.3Very high98.2Very high170 Ų17039 Ų3974%0.73922%0.221SC*.SBendtrans-72-44.2176.1-54.4175.3178172.80109.8D203 D272K179-D203 WeakPolarHBondContact O-CB 3.36Å; K179-D203 PolarHBondContact O-N 2.99Å; K179-D272 WeakPolarHBondContact CA-OD2 3.47Å; K179-D272 WeakPolarHBondContact CB-OD2 3.4Å; K179-D272 PolarHBondContact N-OD2 2.88Å
180R98.5Very high98.3Very high87 Ų8736.3 Ų36.333%0.32820%0.204SC..EExtended strand (participates in β ladder)trans-128.7128176.9-68-179.3-67.2176.51.8110.2D203 E270 C271 D272 V273R180-D203 WeakPolarHBondContact CA-O 3.39Å; R180-D203 HydrophobicContact CG-CB 4.29Å; R180-E270 IonicContact CZ-OE2 2.8Å; R180-E270 IonicContact NH1-OE2 3.98Å; R180-E270 PolarHBondContact NH1-OE2 2.96Å; R180-E270 IonicContact NH2-OE2 2.79Å; R180-E270 PolarHBondContact NH2-OE2 3.02Å; R180-C271 HydrophobicContact CB-CB 4.25Å; R180-C271 WeakPolarHBondContact O-CB 3.46Å; R180-D272 PolarHBondContact N-OD2 2.96Å; R180-D272 PolarHBondContact O-N 3.2Å; R180-V273 PolarHBondContact O-N 2.96Å
181M98.8Very high98.3Very high1 Ų135.8 Ų35.81%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-123.9123.2176.3-175.4178-173.700109.9A171 P178 I183 W197 D203 V204 T205 V273 L275A171-M181 HydrophobicContact CB-CE 4.44Å; P178-M181 HydrophobicContact CG-CB 4.16Å; P178-M181 HydrophobicContact CG-SD 4.5Å; M181-I183 HydrophobicContact CE-CD1 4.35Å; M181-I183 HydrophobicContact CE-CG1 4.2Å; M181-I183 HydrophobicContact CG-CG1 4.25Å; M181-W197 HydrophobicContact SD-CB 3.84Å; M181-W197 HydrophobicContact SD-CG 3.9Å; M181-D203 PolarHBondContact N-O 3.17Å; M181-V204 HydrophobicContact CB-CG2 4.27Å; M181-V204 WeakPolarHBondContact O-CA 3.26Å; M181-T205 PolarHBondContact O-N 3.24Å; M181-V273 WeakPolarHBondContact CA-O 3.34Å; M181-V273 HydrophobicContact CG-CG1 4.48Å; M181-L275 HydrophobicContact CE-CB 3.44Å; M181-L275 VanDerWaalsContact CE-CB 3.44Å; M181-L275 HydrophobicContact CE-CD2 3.63Å; M181-L275 HydrophobicContact CE-CG 4.15Å
182V98.8Very high98.3Very high5 Ų536 Ų363%0.0320%0.199CC..EExtended strand (participates in β ladder)trans-100.4139168.1169.90000108.7T205 V207 V255 L269 C271 V273 L274 L275V182-T205 CarbonylContact C-O 3.59Å; V182-T205 WeakPolarHBondContact CA-O 3.49Å; V182-V207 HydrophobicContact CG1-CG2 4.14Å; V182-V255 HydrophobicContact CB-CG2 4.39Å; V182-V255 HydrophobicContact CG1-CG1 4.39Å; V182-V255 HydrophobicContact CG1-CG2 4.17Å; V182-L269 HydrophobicContact CG2-CB 4.17Å; V182-L269 HydrophobicContact CG2-CD1 4.3Å; V182-C271 HydrophobicContact CB-CB 4.08Å; V182-C271 HydrophobicContact CG2-CB 3.75Å; V182-V273 PolarHBondContact N-O 3.38Å; V182-V273 VanDerWaalsContact N-O 3.08Å; V182-L274 HydrophobicContact CB-CD1 3.91Å; V182-L274 HydrophobicContact CG1-CD1 3.69Å; V182-L274 CarbonylContact O-C 3.51Å; V182-L274 WeakPolarHBondContact O-CA 3.49Å; V182-L274 WeakPolarHBondContact O-CD1 3.39Å; V182-L275 PolarHBondContact O-N 2.82Å
183I98.9Very high98.3Very high0 Ų035.9 Ų35.90%020%0.199CC..EExtended strand (participates in β ladder)trans-119.3127.2178.8-54.5-179000108.2M181 G185 G190 V204 T205 A206 V207 F235 L275 C277M181-I183 HydrophobicContact CE-CD1 4.35Å; M181-I183 HydrophobicContact CE-CG1 4.2Å; M181-I183 HydrophobicContact CG-CG1 4.25Å; I183-G185 WeakPolarHBondContact CG2-O 3.25Å; I183-G190 WeakPolarHBondContact CD1-O 3.49Å; I183-V204 HydrophobicContact CD1-CG1 3.56Å; I183-V204 HydrophobicContact CG1-CG1 4.12Å; I183-T205 PolarHBondContact N-O 3.06Å; I183-A206 HydrophobicContact CB-CB 4.2Å; I183-A206 CarbonylContact O-C 3.43Å; I183-A206 WeakPolarHBondContact O-CA 3.22Å; I183-V207 PolarHBondContact O-N 3.03Å; I183-F235 HydrophobicContact CD1-CZ 4.02Å; I183-L275 CarbonylContact C-O 3.13Å; I183-L275 WeakPolarHBondContact CA-O 3.37Å; I183-L275 HydrophobicContact CD1-CD2 4.31Å; I183-L275 HydrophobicContact CG1-CB 4.25Å; I183-L275 HydrophobicContact CG1-CD2 4.28Å; I183-L275 HydrophobicContact CG2-CB 4.43Å; I183-L275 HydrophobicContact CG2-CD2 4.05Å; I183-L275 HydrophobicContact CG2-CG 4.18Å; I183-C277 WeakPolarHBondContact CG2-SG 3.47Å
184I98.6Very high98.4Very high6 Ų632.4 Ų32.43%0.03118%0.175CC..EExtended strand (participates in β ladder)trans-96.1108.1171.6-47.4-177.2000108.1F155 I158 V243 L274 L275 V276 C277 V278F155-I184 HydrophobicContact CD2-CG2 4.02Å; F155-I184 HydrophobicContact CE2-CG2 3.82Å; I158-I184 HydrophobicContact CD1-CD1 3.74Å; I184-V243 HydrophobicContact CD1-CB 4.31Å; I184-V243 HydrophobicContact CD1-CG1 3.92Å; I184-V243 HydrophobicContact CD1-CG2 4.05Å; I184-V243 HydrophobicContact CG1-CG2 4.04Å; I184-V243 HydrophobicContact CG2-CB 4.41Å; I184-V243 HydrophobicContact CG2-CG2 3.82Å; I184-L274 HydrophobicContact CD1-CD1 3.95Å; I184-L274 HydrophobicContact CD1-CD2 4.16Å; I184-L274 HydrophobicContact CD1-CG 4.35Å; I184-L274 HydrophobicContact CG1-CD1 3.73Å; I184-L275 PolarHBondContact N-O 3.34Å; I184-V276 HydrophobicContact CD1-CG2 4.36Å; I184-C277 CarbonylContact O-C 3.33Å; I184-C277 PolarHBondContact O-N 3.08Å; I184-C277 PolarHBondContact O-SG 2.74Å; I184-V278 HydrophobicContact CB-CG1 4.24Å; I184-V278 HydrophobicContact CG2-CG1 3.54Å; I184-V278 PolarHBondContact O-N 2.94Å
185G98.3Very high98.4Very high5 Ų531.7 Ų31.75%0.05217%0.171CC..  trans105118.1-175.800000112.5I183 G187 V207 E208 C277I183-G185 WeakPolarHBondContact CG2-O 3.25Å; G185-G187 VanDerWaalsContact C-N 3.34Å; G185-V207 PolarHBondContact N-O 3.05Å; G185-E208 WeakPolarHBondContact CA-OE2 3.48Å; G185-C277 PolarHBondContact O-SG 3.29Å
186A98.5Very high98.6Very high1 Ų124.5 Ų24.51%0.00813%0.133CC..  trans-98.629.817400000112.3V191 A206 E208 V213 G214 F237A186-V191 HydrophobicContact CB-CG1 4.46Å; A186-A206 HydrophobicContact CB-CB 4.2Å; A186-E208 HydrophobicContact CB-CB 3.69Å; A186-E208 HydrophobicContact CB-CG 3.98Å; A186-E208 PolarHBondContact N-OE2 2.87Å; A186-V213 HydrophobicContact CB-CB 4.32Å; A186-V213 HydrophobicContact CB-CG1 3.94Å; A186-G214 PolarHBondContact O-N 3.46Å; A186-F237 HydrophobicContact CB-CD1 4.31Å; A186-F237 HydrophobicContact CB-CE1 4.31Å
187G98.2Very high98.6Very high17 Ų1721.9 Ų21.918%0.17511%0.111CC..SBendtrans-71-179.7166.700000112.5G185 I189 G190 V191G185-G187 VanDerWaalsContact C-N 3.34Å; G187-I189 PolarHBondContact O-N 3.16Å; G187-G190 PolarHBondContact O-N 2.92Å; G187-V191 WeakPolarHBondContact O-CG2 3.49Å; G187-V191 PolarHBondContact O-N 3.39Å
188V98.5Very high98.6Very high49 Ų4920.9 Ų20.930%0.29710%0.103SC..Hα-helixtrans-47.1-52.1-176.3-179.70000113.2G190 V191 E192 G214 I358V188-G190 PolarHBondContact O-N 3.19Å; V188-V191 VanDerWaalsContact O-CG2 3.26Å; V188-V191 WeakPolarHBondContact O-CG2 3.41Å; V188-E192 WeakPolarHBondContact O-CB 3.33Å; V188-E192 WeakPolarHBondContact O-CG 3.28Å; V188-E192 PolarHBondContact O-N 2.84Å; V188-G214 WeakPolarHBondContact CG2-O 3.38Å; V188-I358 HydrophobicContact CB-CG1 4.48Å; V188-I358 HydrophobicContact CG1-CB 4.5Å; V188-I358 HydrophobicContact CG1-CG1 4.1Å; V188-I358 HydrophobicContact CG1-CG2 4.33Å; V188-I358 HydrophobicContact CG2-CD1 4.11Å; V188-I358 HydrophobicContact CG2-CG1 3.96Å
189I98.5Very high98.6Very high58 Ų5820.9 Ų20.930%0.29710%0.102SC..Hα-helixtrans-63.3-43.4-178.1-65.4170.3000111.2G187 E192 L193 C277 R280G187-I189 PolarHBondContact O-N 3.16Å; I189-E192 PolarHBondContact O-N 2.95Å; I189-L193 HydrophobicContact CG2-CD1 3.81Å; I189-L193 HydrophobicContact CG2-CG 4.31Å; I189-L193 WeakPolarHBondContact O-CB 3.3Å; I189-L193 WeakPolarHBondContact O-CG 3.18Å; I189-L193 PolarHBondContact O-N 3.17Å; I189-C277 HydrophobicContact CG2-CB 4.11Å; I189-R280 HydrophobicContact CD1-CG 4.46Å
190G98.5Very high98.7Very high0 Ų013.2 Ų13.20%07%0.069CC..Hα-helixtrans-64.3-44.7-178.200000112.3I183 G187 V188 G194 C277I183-G190 WeakPolarHBondContact CD1-O 3.49Å; G187-G190 PolarHBondContact O-N 2.92Å; V188-G190 PolarHBondContact O-N 3.19Å; G190-G194 WeakPolarHBondContact O-CA 3.25Å; G190-G194 PolarHBondContact O-N 2.89Å; G190-C277 WeakPolarHBondContact CA-SG 3.42Å
191V98.8Very high98.6Very high0 Ų011.9 Ų11.90%08%0.083CC..Hα-helixtrans-71.4-34.6178.4-60.90000112.5A186 G187 V188 S195 F226 L230 F237 I358 T360A186-V191 HydrophobicContact CB-CG1 4.46Å; G187-V191 WeakPolarHBondContact O-CG2 3.49Å; G187-V191 PolarHBondContact O-N 3.39Å; V188-V191 VanDerWaalsContact O-CG2 3.26Å; V188-V191 WeakPolarHBondContact O-CG2 3.41Å; V191-S195 VanDerWaalsContact O-CB 3.22Å; V191-S195 WeakPolarHBondContact O-CB 3.4Å; V191-S195 PolarHBondContact O-N 3.02Å; V191-S195 PolarHBondContact O-OG 2.93Å; V191-F226 HydrophobicContact CB-CE1 4.46Å; V191-F226 HydrophobicContact CB-CZ 4.39Å; V191-F226 HydrophobicContact CG2-CE1 3.99Å; V191-F226 HydrophobicContact CG2-CZ 4.04Å; V191-L230 HydrophobicContact CB-CD1 4.28Å; V191-L230 HydrophobicContact CG1-CD1 4.48Å; V191-F237 HydrophobicContact CG1-CE1 4.28Å; V191-I358 HydrophobicContact CG2-CG2 3.75Å; V191-T360 HydrophobicContact CG2-CG2 4.43Å
192E98.8Very high98.6Very high5 Ų512.1 Ų12.12%0.0238%0.084CC..Hα-helixtrans-64.4-56.7174.6-80-169.7178.900111.1S54 K55 L58 V188 I189 G194 S195 V196 I358 Y359S54-E192 PolarHBondContact OG-OE2 2.96Å; K55-E192 IonicContact NZ-OE1 3.23Å; K55-E192 PolarHBondContact NZ-OE1 3.21Å; K55-E192 IonicContact NZ-OE2 2.62Å; K55-E192 PolarHBondContact NZ-OE2 3.47Å; L58-E192 HydrophobicContact CD1-CB 4.06Å; L58-E192 HydrophobicContact CD1-CG 3.9Å; L58-E192 HydrophobicContact CD2-CB 4.42Å; V188-E192 WeakPolarHBondContact O-CB 3.33Å; V188-E192 WeakPolarHBondContact O-CG 3.28Å; V188-E192 PolarHBondContact O-N 2.84Å; I189-E192 PolarHBondContact O-N 2.95Å; E192-G194 PolarHBondContact O-N 2.75Å; E192-S195 WeakPolarHBondContact O-CB 3.4Å; E192-S195 PolarHBondContact O-N 2.98Å; E192-V196 PolarHBondContact O-N 2.7Å; E192-I358 HydrophobicContact CG-CG2 4.09Å; E192-Y359 WeakPolarHBondContact OE1-CD2 2.98Å; E192-Y359 PolarHBondContact OE1-N 3.26Å
193L98.8Very high98.6Very high3 Ų314.9 Ų14.92%0.01610%0.099CC..Hα-helixtrans-68.4-36.5-176.9-63.5-177.8000112A171 L172 I189 S195 V196 W197 L275A171-L193 HydrophobicContact CB-CD1 4.07Å; L172-L193 HydrophobicContact CD2-CD2 3.62Å; L172-L193 HydrophobicContact CG-CD2 4.21Å; I189-L193 HydrophobicContact CG2-CD1 3.81Å; I189-L193 HydrophobicContact CG2-CG 4.31Å; I189-L193 WeakPolarHBondContact O-CB 3.3Å; I189-L193 WeakPolarHBondContact O-CG 3.18Å; I189-L193 PolarHBondContact O-N 3.17Å; L193-S195 VanDerWaalsContact C-N 3.32Å; L193-S195 PolarHBondContact O-N 3.45Å; L193-V196 WeakPolarHBondContact O-CB 3.31Å; L193-V196 PolarHBondContact O-N 2.99Å; L193-W197 PolarHBondContact O-N 3.48Å; L193-W197 VanDerWaalsContact O-N 3.11Å; L193-L275 HydrophobicContact CB-CD2 3.96Å; L193-L275 HydrophobicContact CD1-CD2 4.05Å
194G98.8Very high98.6Very high0 Ų014.9 Ų14.90%010%0.099CC..Hα-helixtrans-61.5-40.8172.100000112.4G190 E192 V196 W197 Q198 F235G190-G194 WeakPolarHBondContact O-CA 3.25Å; G190-G194 PolarHBondContact O-N 2.89Å; E192-G194 PolarHBondContact O-N 2.75Å; G194-V196 PolarHBondContact O-N 3.3Å; G194-W197 PolarHBondContact O-N 3.03Å; G194-Q198 WeakPolarHBondContact O-CB 3.31Å; G194-Q198 PolarHBondContact O-N 3.34Å; G194-F235 VanDerWaalsContact C-CE2 3.42Å
195S98.9Very high98.6Very high0 Ų015.6 Ų15.60%010%0.104CC..Hα-helixtrans-64.7-39.9176.4-64.70000111.7V191 E192 L193 R199V191-S195 VanDerWaalsContact O-CB 3.22Å; V191-S195 WeakPolarHBondContact O-CB 3.4Å; V191-S195 PolarHBondContact O-N 3.02Å; V191-S195 PolarHBondContact O-OG 2.93Å; E192-S195 WeakPolarHBondContact O-CB 3.4Å; E192-S195 PolarHBondContact O-N 2.98Å; L193-S195 VanDerWaalsContact C-N 3.32Å; L193-S195 PolarHBondContact O-N 3.45Å; S195-R199 WeakPolarHBondContact O-CB 3.39Å; S195-R199 VanDerWaalsContact O-CD 3.24Å; S195-R199 WeakPolarHBondContact O-CD 3.24Å; S195-R199 WeakPolarHBondContact O-CG 3.46Å; S195-R199 PolarHBondContact O-N 3.03Å
196V98.9Very high98.7Very high0 Ų015.4 Ų15.40%010%0.101CC..Hα-helixtrans-55.2-58.5173.7170.70000110L57 L58 E192 L193 G194 Q198 R199 L200L57-V196 HydrophobicContact CB-CG1 3.85Å; L57-V196 HydrophobicContact CB-CG2 4.04Å; L57-V196 HydrophobicContact CD1-CG1 4.5Å; L58-V196 HydrophobicContact CB-CG2 4.39Å; L58-V196 HydrophobicContact CD2-CG2 3.7Å; L58-V196 HydrophobicContact CG-CG2 3.72Å; E192-V196 PolarHBondContact O-N 2.7Å; L193-V196 WeakPolarHBondContact O-CB 3.31Å; L193-V196 PolarHBondContact O-N 2.99Å; G194-V196 PolarHBondContact O-N 3.3Å; V196-Q198 PolarHBondContact O-N 3.24Å; V196-R199 PolarHBondContact O-N 3.31Å; V196-L200 HydrophobicContact CG1-CD1 4.16Å; V196-L200 VanDerWaalsContact O-CG 3.32Å; V196-L200 WeakPolarHBondContact O-CG 3.1Å; V196-L200 PolarHBondContact O-N 3.09Å
197W98.8Very high98.7Very high0 Ų015.4 Ų15.40%010%0.102CC..Hα-helixtrans-69.2-34.4-173.3-68.2114.1000112.8L85 M89 A171 L174 V177 M181 L193 G194 L200 G201 A202 V204L85-W197 HydrophobicContact CD1-CH2 4.28Å; L85-W197 HydrophobicContact CD1-CZ3 4.24Å; L85-W197 HydrophobicContact CD2-CH2 4.48Å; L85-W197 HydrophobicContact CD2-CZ3 4.3Å; M89-W197 HydrophobicContact CE-CH2 3.55Å; M89-W197 HydrophobicContact CE-CZ2 3.87Å; A171-W197 VanDerWaalsContact O-CZ2 3.24Å; A171-W197 WeakPolarHBondContact O-CZ2 3.43Å; A171-W197 PolarHBondContact O-NE1 3.19Å; L174-W197 HydrophobicContact CB-CH2 3.53Å; L174-W197 HydrophobicContact CB-CZ2 3.66Å; L174-W197 HydrophobicContact CB-CZ3 4.31Å; L174-W197 HydrophobicContact CD1-CD2 4.2Å; L174-W197 HydrophobicContact CD1-CH2 4.13Å; L174-W197 HydrophobicContact CD1-CZ2 3.76Å; L174-W197 HydrophobicContact CD1-CZ3 4.47Å; L174-W197 HydrophobicContact CG-CH2 4.35Å; L174-W197 HydrophobicContact CG-CZ2 4.05Å; V177-W197 HydrophobicContact CG1-CE3 4.47Å; V177-W197 HydrophobicContact CG2-CZ3 4.25Å; M181-W197 HydrophobicContact SD-CB 3.84Å; M181-W197 HydrophobicContact SD-CG 3.9Å; L193-W197 PolarHBondContact O-N 3.48Å; L193-W197 VanDerWaalsContact O-N 3.11Å; G194-W197 PolarHBondContact O-N 3.03Å; W197-L200 HydrophobicContact CE3-CD1 3.89Å; W197-L200 HydrophobicContact CZ3-CD1 3.86Å; W197-L200 PolarHBondContact O-N 3.43Å; W197-G201 PolarHBondContact O-N 3.06Å; W197-A202 HydrophobicContact CB-CB 4.12Å; W197-A202 VanDerWaalsContact O-CB 3.3Å; W197-A202 WeakPolarHBondContact O-CB 3.18Å; W197-A202 PolarHBondContact O-N 3.48Å; W197-V204 HydrophobicContact CB-CG2 4.47Å
198Q98.8Very high98.7Very high20 Ų2015.8 Ų15.89%0.09310%0.099CC..Hα-helixtrans-61.7-44.8174.8-170-83-32.200111.8G194 V196 L200 G201 V204 Q233G194-Q198 WeakPolarHBondContact O-CB 3.31Å; G194-Q198 PolarHBondContact O-N 3.34Å; V196-Q198 PolarHBondContact O-N 3.24Å; Q198-L200 PolarHBondContact O-N 2.88Å; Q198-G201 PolarHBondContact O-N 3.22Å; Q198-G201 VanDerWaalsContact O-N 3.09Å; Q198-V204 HydrophobicContact CB-CB 4.15Å; Q198-V204 HydrophobicContact CB-CG2 3.66Å; Q198-V204 HydrophobicContact CG-CB 4.48Å; Q198-V204 HydrophobicContact CG-CG2 4.34Å; Q198-Q233 PolarHBondContact NE2-O 3.48Å
199R98.6Very high98.7Very high11 Ų1118.8 Ų18.84%0.04211%0.108CC..Hα-helixtrans-62.8-32.5177.2-72.6166.7-170169.30.8112.6Y64 V65 S195 V196 G201Y64-R199 WeakPolarHBondContact CD1-O 3.11Å; Y64-R199 WeakPolarHBondContact CE1-O 3.23Å; V65-R199 HydrophobicContact CB-CB 4.05Å; V65-R199 HydrophobicContact CB-CG 4.1Å; V65-R199 HydrophobicContact CG1-CB 4.36Å; V65-R199 HydrophobicContact CG1-CG 3.92Å; V65-R199 HydrophobicContact CG2-CB 4.44Å; V65-R199 HydrophobicContact CG2-CG 4.37Å; S195-R199 WeakPolarHBondContact O-CB 3.39Å; S195-R199 VanDerWaalsContact O-CD 3.24Å; S195-R199 WeakPolarHBondContact O-CD 3.24Å; S195-R199 WeakPolarHBondContact O-CG 3.46Å; S195-R199 PolarHBondContact O-N 3.03Å; V196-R199 PolarHBondContact O-N 3.31Å; R199-G201 VanDerWaalsContact C-N 3.3Å
200L98.6Very high98.6Very high9 Ų918.8 Ų18.85%0.04711%0.108CC..Hα-helixtrans-78.8-12.5177.7-61-179.8000113.3Y64 L83 L85 M88 V177 V196 W197 Q198Y64-L200 HydrophobicContact CD1-CD2 3.9Å; Y64-L200 HydrophobicContact CE1-CD2 4.46Å; Y64-L200 HydrophobicContact CG-CD2 4.43Å; L83-L200 HydrophobicContact CD1-CD2 3.87Å; L83-L200 HydrophobicContact CD2-CB 4.25Å; L83-L200 HydrophobicContact CD2-CD2 4.21Å; L85-L200 HydrophobicContact CD1-CD1 4.21Å; M88-L200 HydrophobicContact CE-CD2 3.8Å; M88-L200 HydrophobicContact SD-CD1 4.15Å; M88-L200 HydrophobicContact SD-CD2 4.03Å; V177-L200 HydrophobicContact CG1-CB 4.2Å; V177-L200 HydrophobicContact CG2-CB 3.87Å; V196-L200 HydrophobicContact CG1-CD1 4.16Å; V196-L200 VanDerWaalsContact O-CG 3.32Å; V196-L200 WeakPolarHBondContact O-CG 3.1Å; V196-L200 PolarHBondContact O-N 3.09Å; W197-L200 HydrophobicContact CE3-CD1 3.89Å; W197-L200 HydrophobicContact CZ3-CD1 3.86Å; W197-L200 PolarHBondContact O-N 3.43Å; Q198-L200 PolarHBondContact O-N 2.88Å
201G98Very high98.5Very high60 Ų6020.7 Ų20.762%0.61913%0.128SC*.THydrogen-bonded Turntrans124.32.7171.900000115.9W197 Q198 R199W197-G201 PolarHBondContact O-N 3.06Å; Q198-G201 PolarHBondContact O-N 3.22Å; Q198-G201 VanDerWaalsContact O-N 3.09Å; R199-G201 VanDerWaalsContact C-N 3.3Å
202A98.7Very high98.5Very high5 Ų522.3 Ų22.34%0.04114%0.136CC..  trans-72.4143.8176.600000112V177 P178 W197 V204V177-A202 HydrophobicContact CG1-CB 4.14Å; P178-A202 HydrophobicContact CG-CB 4.04Å; P178-A202 VanDerWaalsContact O-CA 3.3Å; P178-A202 WeakPolarHBondContact O-CA 3.48Å; P178-A202 WeakPolarHBondContact O-CB 3.43Å; W197-A202 HydrophobicContact CB-CB 4.12Å; W197-A202 VanDerWaalsContact O-CB 3.3Å; W197-A202 WeakPolarHBondContact O-CB 3.18Å; W197-A202 PolarHBondContact O-N 3.48Å; A202-V204 HydrophobicContact CB-CG2 3.87Å; A202-V204 PolarHBondContact O-N 3.45Å
203D98.8Very high98.5Very high63 Ų6322.1 Ų22.134%0.33714%0.135SC..EExtended strand (participates in β ladder)trans-79.9105.7163.3-174.57.3000109.2K179 R180 M181 K236K179-D203 WeakPolarHBondContact O-CB 3.36Å; K179-D203 PolarHBondContact O-N 2.99Å; R180-D203 WeakPolarHBondContact CA-O 3.39Å; R180-D203 HydrophobicContact CG-CB 4.29Å; M181-D203 PolarHBondContact N-O 3.17Å; D203-K236 VanDerWaalsContact OD1-CE 3.24Å; D203-K236 WeakPolarHBondContact OD1-CE 3.38Å; D203-K236 IonicContact OD1-NZ 2.93Å; D203-K236 PolarHBondContact OD1-NZ 3.28Å; D203-K236 IonicContact OD2-NZ 2.67Å; D203-K236 PolarHBondContact OD2-NZ 2.81Å
204V98.9Very high98.4Very high0 Ų022 Ų220%013%0.134CC..EExtended strand (participates in β ladder)trans-107126.7-171.8-175.90000110.9M181 I183 W197 Q198 A202 F235 K236M181-V204 HydrophobicContact CB-CG2 4.27Å; M181-V204 WeakPolarHBondContact O-CA 3.26Å; I183-V204 HydrophobicContact CD1-CG1 3.56Å; I183-V204 HydrophobicContact CG1-CG1 4.12Å; W197-V204 HydrophobicContact CB-CG2 4.47Å; Q198-V204 HydrophobicContact CB-CB 4.15Å; Q198-V204 HydrophobicContact CB-CG2 3.66Å; Q198-V204 HydrophobicContact CG-CB 4.48Å; Q198-V204 HydrophobicContact CG-CG2 4.34Å; A202-V204 HydrophobicContact CB-CG2 3.87Å; A202-V204 PolarHBondContact O-N 3.45Å; V204-F235 HydrophobicContact CB-CE1 4.47Å; V204-F235 HydrophobicContact CG1-CD1 4.15Å; V204-F235 HydrophobicContact CG1-CE1 3.61Å; V204-F235 HydrophobicContact CG1-CE2 4.32Å; V204-F235 HydrophobicContact CG1-CZ 3.72Å; V204-K236 PolarHBondContact O-N 3.49Å
205T98.9Very high98.3Very high22 Ų2222.9 Ų22.914%0.13514%0.143CC..EExtended strand (participates in β ladder)trans-124.3118.4171.1-56.80000110.5M181 V182 I183 K236 K238M181-T205 PolarHBondContact O-N 3.24Å; V182-T205 CarbonylContact C-O 3.59Å; V182-T205 WeakPolarHBondContact CA-O 3.49Å; I183-T205 PolarHBondContact N-O 3.06Å; T205-K236 CarbonylContact C-O 3.28Å; T205-K236 WeakPolarHBondContact CA-O 3.49Å; T205-K236 HydrophobicContact CG2-CB 4.16Å; T205-K238 HydrophobicContact CG2-CD 4.42Å; T205-K238 HydrophobicContact CG2-CG 4.41Å
206A98.9Very high98.1Very high0 Ų030.1 Ų30.10%018%0.177CC..EExtended strand (participates in β ladder)trans-91.8129.8170.100000110.8I183 A186 F235 K236 F237 K238I183-A206 HydrophobicContact CB-CB 4.2Å; I183-A206 CarbonylContact O-C 3.43Å; I183-A206 WeakPolarHBondContact O-CA 3.22Å; A186-A206 HydrophobicContact CB-CB 4.2Å; A206-F235 HydrophobicContact CB-CE1 3.62Å; A206-F235 HydrophobicContact CB-CZ 4.17Å; A206-K236 PolarHBondContact N-O 2.92Å; A206-F237 HydrophobicContact CB-CD1 3.86Å; A206-F237 HydrophobicContact CB-CE1 4.03Å; A206-F237 CarbonylContact O-C 3.35Å; A206-F237 WeakPolarHBondContact O-CA 3.45Å; A206-K238 PolarHBondContact O-N 2.96Å
207V98.8Very high97.9Very high2 Ų231.3 Ų31.31%0.01219%0.19CC..EExtended strand (participates in β ladder)trans-105.2123.8173.8-175.60000107.8V182 I183 G185 K238 T241 V243 V257 L269V182-V207 HydrophobicContact CG1-CG2 4.14Å; I183-V207 PolarHBondContact O-N 3.03Å; G185-V207 PolarHBondContact N-O 3.05Å; V207-K238 WeakPolarHBondContact CA-O 3.37Å; V207-K238 HydrophobicContact CG2-CB 4.38Å; V207-T241 HydrophobicContact CG1-CG2 3.56Å; V207-V243 HydrophobicContact CB-CG2 4.2Å; V207-V243 HydrophobicContact CG1-CG2 3.76Å; V207-V257 HydrophobicContact CG1-CG1 4.08Å; V207-V257 HydrophobicContact CG2-CG1 4.35Å; V207-L269 HydrophobicContact CG2-CD1 3.7Å
208E98.4Very high97.9Very high25 Ų2531.4 Ų31.412%0.11719%0.19CC..  trans-131.8132.8-176177.451.8-105.800110.3G185 A186 L210 K238 L239 N240 T241G185-E208 WeakPolarHBondContact CA-OE2 3.48Å; A186-E208 HydrophobicContact CB-CB 3.69Å; A186-E208 HydrophobicContact CB-CG 3.98Å; A186-E208 PolarHBondContact N-OE2 2.87Å; E208-L210 HydrophobicContact CG-CB 4Å; E208-L210 PolarHBondContact OE1-N 2.73Å; E208-K238 PolarHBondContact N-O 2.68Å; E208-L239 HydrophobicContact CB-CD2 3.79Å; E208-L239 HydrophobicContact CG-CD2 4.27Å; E208-L239 CarbonylContact O-C 3.52Å; E208-N240 PolarHBondContact O-N 2.81Å; E208-T241 CarbonylContact C-O 3.22Å; E208-T241 VanDerWaalsContact C-O 3.24Å; E208-T241 PolarHBondContact O-N 3.29Å; E208-T241 VanDerWaalsContact O-O 3.09Å
209F97.6Very high97.9Very high111 Ų11130.4 Ų30.449%0.48719%0.186SC..SBendtrans-69.6-38.8177.5-179.7-90.1000110.8N240 T241 K242 V260F209-N240 WeakPolarHBondContact O-CA 3.4Å; F209-T241 WeakPolarHBondContact CA-O 3.16Å; F209-T241 PolarHBondContact N-O 2.89Å; F209-K242 HydrophobicContact CD2-CB 4.03Å; F209-K242 HydrophobicContact CD2-CG 4.37Å; F209-K242 HydrophobicContact CE2-CB 4.38Å; F209-K242 HydrophobicContact CE2-CD 4.42Å; F209-V260 HydrophobicContact CD2-CG2 3.49Å; F209-V260 VanDerWaalsContact CD2-CG2 3.49Å; F209-V260 HydrophobicContact CE1-CG1 4.42Å; F209-V260 HydrophobicContact CE2-CB 4.33Å; F209-V260 HydrophobicContact CE2-CG1 3.81Å; F209-V260 HydrophobicContact CE2-CG2 3.57Å; F209-V260 HydrophobicContact CG-CG2 4.11Å; F209-V260 HydrophobicContact CZ-CG1 3.75Å; F209-V260 HydrophobicContact CZ-CG2 4.23Å
210L96.9Very high97.9Very high58 Ų5833 Ų3330%0.30420%0.199SC..SBendtrans-71.7166.1176.8-58.6178.1000112.2E208 H212 N240E208-L210 HydrophobicContact CG-CB 4Å; E208-L210 PolarHBondContact OE1-N 2.73Å; L210-H212 VanDerWaalsContact C-N 3.3Å; L210-H212 PolarHBondContact O-N 2.87Å; L210-N240 PolarHBondContact O-N 3.47Å
211G97.4Very high97.9Very high41 Ų4135.4 Ų35.442%0.42321%0.21SC..SBendtrans-87.39.1-179.400000114.7
212H98.5Very high98Very high34 Ų3432.6 Ų32.616%0.15718%0.181CC..SBendtrans-152.6164.2-172.872.8-86.3000111.8L210 G215 M220L210-H212 VanDerWaalsContact C-N 3.3Å; L210-H212 PolarHBondContact O-N 2.87Å; H212-G215 PolarHBondContact NE2-O 3.01Å; H212-M220 HydrophobicContact CB-CE 4.47Å; H212-M220 HydrophobicContact CB-SD 4Å
213V98.5Very high98Very high0 Ų032.4 Ų32.40%018%0.179CC..SBendtrans-107.8162.2180-57.10000111.9A186 S223 F226 E227 F237 L239A186-V213 HydrophobicContact CB-CB 4.32Å; A186-V213 HydrophobicContact CB-CG1 3.94Å; V213-S223 PolarHBondContact N-OG 3.36Å; V213-S223 VanDerWaalsContact N-OG 3.13Å; V213-S223 PolarHBondContact O-OG 2.96Å; V213-F226 HydrophobicContact CG2-CD1 3.89Å; V213-E227 HydrophobicContact CG1-CB 4.42Å; V213-E227 HydrophobicContact CG1-CG 4.31Å; V213-E227 HydrophobicContact CG2-CB 3.82Å; V213-F237 HydrophobicContact CG1-CD1 3.65Å; V213-F237 HydrophobicContact CG1-CE1 3.66Å; V213-F237 HydrophobicContact CG1-CG 4.25Å; V213-F237 HydrophobicContact CG1-CZ 4.27Å; V213-L239 HydrophobicContact CG1-CD1 4.38Å; V213-L239 HydrophobicContact CG1-CD2 3.77Å
214G97.7Very high98Very high0 Ų036.6 Ų36.60%020%0.195CC..SBendtrans95.4-5.9174.300000114.7A186 V188A186-G214 PolarHBondContact O-N 3.46Å; V188-G214 WeakPolarHBondContact CG2-O 3.38Å
215G95.6Very high98Very high19 Ų1938 Ų3820%0.19620%0.202CC..  trans89.8-161.8173.900000113.9H212 I218H212-G215 PolarHBondContact NE2-O 3.01Å; G215-I218 WeakPolarHBondContact O-CG2 3.3Å
216Q94Very high98Very high152 Ų15237 Ų3771%0.7120%0.196SC*.SBendtrans-78.9143.7-177.5-65.8-64.8-16.700111.2I218Q216-I218 VanDerWaalsContact C-N 3.33Å; Q216-I218 PolarHBondContact O-N 2.9Å
217G96Very high97.9Very high26 Ų2639.6 Ų39.627%0.26821%0.208SC..SBendtrans87.8-18.3174.300000115.7N370G217-N370 PolarHBondContact O-ND2 3.47Å
218I98.7Very high97.9Very high1 Ų146.6 Ų46.61%0.00523%0.234CC..  trans-60.2140173.5-166.3171.1000111G215 Q216 M220 V222 I358 V364 W366G215-I218 WeakPolarHBondContact O-CG2 3.3Å; Q216-I218 VanDerWaalsContact C-N 3.33Å; Q216-I218 PolarHBondContact O-N 2.9Å; I218-M220 HydrophobicContact CG2-CE 3.9Å; I218-M220 WeakPolarHBondContact O-CE 3.47Å; I218-V222 HydrophobicContact CD1-CG1 4.26Å; I218-V222 HydrophobicContact CG1-CB 4.46Å; I218-V222 HydrophobicContact CG1-CG1 4.25Å; I218-I358 HydrophobicContact CD1-CD1 4.4Å; I218-V364 HydrophobicContact CD1-CG1 4.1Å; I218-W366 HydrophobicContact CB-CH2 4.25Å; I218-W366 HydrophobicContact CB-CZ2 4.39Å; I218-W366 HydrophobicContact CB-CZ3 4.39Å; I218-W366 HydrophobicContact CD1-CZ3 4.47Å; I218-W366 HydrophobicContact CG1-CE3 4.42Å; I218-W366 HydrophobicContact CG1-CZ3 4.31Å
219D98.8Very high98Very high0 Ų045.5 Ų45.50%023%0.229CC..  trans-65.6135.2171.7176-82.6000111.2E221 V222 S223 N370 E371 K405 H419D219-E221 VanDerWaalsContact C-N 3.31Å; D219-E221 PolarHBondContact O-N 3.4Å; D219-E221 WeakPolarHBondContact OD1-CB 3.47Å; D219-E221 PolarHBondContact OD1-N 2.91Å; D219-V222 HydrophobicContact CB-CB 4.22Å; D219-V222 HydrophobicContact CB-CG2 4.09Å; D219-V222 WeakPolarHBondContact O-CB 3.4Å; D219-V222 PolarHBondContact O-N 3.4Å; D219-V222 VanDerWaalsContact O-N 3.14Å; D219-V222 PolarHBondContact OD1-N 2.86Å; D219-S223 PolarHBondContact O-N 3.03Å; D219-N370 HydrophobicContact CB-CB 4Å; D219-E371 PolarHBondContact OD2-N 2.93Å; D219-K405 IonicContact OD1-NZ 2.88Å; D219-K405 PolarHBondContact OD1-NZ 3.35Å; D219-K405 WeakPolarHBondContact OD2-CE 3.36Å; D219-K405 IonicContact OD2-NZ 2.6Å; D219-K405 PolarHBondContact OD2-NZ 3.3Å; D219-H419 HydrophobicContact CB-CB 4.39Å
220M98.7Very high98Very high64 Ų6440.2 Ų40.232%0.31521%0.206SC..Hα-helixtrans-66.7-28.3-171.6-70.5-60.199.800114.1H212 I218 K224 E372H212-M220 HydrophobicContact CB-CE 4.47Å; H212-M220 HydrophobicContact CB-SD 4Å; I218-M220 HydrophobicContact CG2-CE 3.9Å; I218-M220 WeakPolarHBondContact O-CE 3.47Å; M220-K224 WeakPolarHBondContact O-CB 3.38Å; M220-K224 PolarHBondContact O-N 3.08Å; M220-E372 HydrophobicContact CB-CG 4.45Å; M220-E372 VanDerWaalsContact CG-CD 3.43Å; M220-E372 HydrophobicContact CG-CG 3.7Å; M220-E372 WeakPolarHBondContact CG-OE2 3.27Å; M220-E372 PolarHBondContact N-OE2 2.87Å
221E98.8Very high98.1Very high60 Ų6040.7 Ų40.728%0.2821%0.211SC..Hα-helixtrans-73.5-37.7174.6-175.3-178.2-162.500111.5D219 N225 K385 F403 K405D219-E221 VanDerWaalsContact C-N 3.31Å; D219-E221 PolarHBondContact O-N 3.4Å; D219-E221 WeakPolarHBondContact OD1-CB 3.47Å; D219-E221 PolarHBondContact OD1-N 2.91Å; E221-N225 PolarHBondContact O-N 2.78Å; E221-N225 VanDerWaalsContact O-N 3.08Å; E221-N225 PolarHBondContact O-ND2 3.39Å; E221-K385 IonicContact OE1-NZ 2.65Å; E221-K385 PolarHBondContact OE1-NZ 3.35Å; E221-K385 WeakPolarHBondContact OE2-CE 3.06Å; E221-K385 IonicContact OE2-NZ 2.83Å; E221-K385 PolarHBondContact OE2-NZ 3.12Å; E221-F403 HydrophobicContact CG-CZ 4.1Å; E221-K405 WeakPolarHBondContact OE2-CE 3.35Å; E221-K405 IonicContact OE2-NZ 2.68Å; E221-K405 PolarHBondContact OE2-NZ 3.05Å
222V98.9Very high98.1Very high2 Ų245.5 Ų45.51%0.01222%0.217CC..Hα-helixtrans-63.7-48.2172.6175.50000110.1I218 D219 K224 N225 F226 V364 F403 H419 I421I218-V222 HydrophobicContact CD1-CG1 4.26Å; I218-V222 HydrophobicContact CG1-CB 4.46Å; I218-V222 HydrophobicContact CG1-CG1 4.25Å; D219-V222 HydrophobicContact CB-CB 4.22Å; D219-V222 HydrophobicContact CB-CG2 4.09Å; D219-V222 WeakPolarHBondContact O-CB 3.4Å; D219-V222 PolarHBondContact O-N 3.4Å; D219-V222 VanDerWaalsContact O-N 3.14Å; D219-V222 PolarHBondContact OD1-N 2.86Å; V222-K224 PolarHBondContact O-N 2.9Å; V222-N225 PolarHBondContact O-N 2.88Å; V222-F226 VanDerWaalsContact O-CB 3.24Å; V222-F226 WeakPolarHBondContact O-CB 3.3Å; V222-F226 PolarHBondContact O-N 3.43Å; V222-V364 HydrophobicContact CG1-CG1 3.56Å; V222-F403 HydrophobicContact CG2-CE2 3.9Å; V222-F403 HydrophobicContact CG2-CZ 4Å; V222-H419 HydrophobicContact CG2-CB 3.87Å; V222-I421 HydrophobicContact CG1-CB 4.09Å; V222-I421 HydrophobicContact CG1-CG2 4.2Å
223S98.8Very high98.1Very high1 Ų146 Ų461%0.00722%0.219CC..Hα-helixtrans-56.3-46.3177-177.40000112.4V213 D219 N225 F226 E227V213-S223 PolarHBondContact N-OG 3.36Å; V213-S223 VanDerWaalsContact N-OG 3.13Å; V213-S223 PolarHBondContact O-OG 2.96Å; D219-S223 PolarHBondContact O-N 3.03Å; S223-N225 PolarHBondContact O-N 3Å; S223-F226 WeakPolarHBondContact O-CB 3.42Å; S223-F226 PolarHBondContact O-N 3.29Å; S223-E227 PolarHBondContact O-N 3.43Å
224K98.7Very high98Very high151 Ų15147.6 Ų47.666%0.65724%0.235SC*.Hα-helixtrans-62.6-42.3177.5-178.8179178.51800112.9M220 V222 F226 R228M220-K224 WeakPolarHBondContact O-CB 3.38Å; M220-K224 PolarHBondContact O-N 3.08Å; V222-K224 PolarHBondContact O-N 2.9Å; K224-F226 VanDerWaalsContact C-N 3.34Å; K224-R228 WeakPolarHBondContact O-CB 3.14Å; K224-R228 PolarHBondContact O-N 2.79Å; K224-R228 VanDerWaalsContact O-N 3.17Å
225N98.7Very high98.1Very high30 Ų3047.7 Ų47.716%0.1624%0.236CC..Hα-helixtrans-69.8-36.4176.9-83.7-80.4000111.6E221 V222 S223 R228 I229 F403E221-N225 PolarHBondContact O-N 2.78Å; E221-N225 VanDerWaalsContact O-N 3.08Å; E221-N225 PolarHBondContact O-ND2 3.39Å; V222-N225 PolarHBondContact O-N 2.88Å; S223-N225 PolarHBondContact O-N 3Å; N225-R228 PolarHBondContact O-N 3.07Å; N225-R228 PolarHBondContact OD1-NH2 3.11Å; N225-I229 WeakPolarHBondContact O-CD1 3.5Å; N225-I229 VanDerWaalsContact O-CG1 3.26Å; N225-I229 WeakPolarHBondContact O-CG1 3.43Å; N225-I229 PolarHBondContact O-N 3.45Å; N225-F403 HydrophobicContact CB-CE1 3.92Å
226F98.8Very high98.3Very high0 Ų051.6 Ų51.60%025%0.247CC..Hα-helixtrans-61.6-50.5176.2-176.1-145.9000111.8V191 V213 V222 S223 K224 R228 I229 L230 I358 T360 V364 I421V191-F226 HydrophobicContact CB-CE1 4.46Å; V191-F226 HydrophobicContact CB-CZ 4.39Å; V191-F226 HydrophobicContact CG2-CE1 3.99Å; V191-F226 HydrophobicContact CG2-CZ 4.04Å; V213-F226 HydrophobicContact CG2-CD1 3.89Å; V222-F226 VanDerWaalsContact O-CB 3.24Å; V222-F226 WeakPolarHBondContact O-CB 3.3Å; V222-F226 PolarHBondContact O-N 3.43Å; S223-F226 WeakPolarHBondContact O-CB 3.42Å; S223-F226 PolarHBondContact O-N 3.29Å; K224-F226 VanDerWaalsContact C-N 3.34Å; F226-R228 VanDerWaalsContact C-N 3.34Å; F226-R228 PolarHBondContact O-N 2.98Å; F226-I229 PolarHBondContact O-N 3.12Å; F226-L230 HydrophobicContact CD2-CD1 4.02Å; F226-L230 HydrophobicContact CD2-CG 3.92Å; F226-L230 HydrophobicContact CE1-CD1 4.14Å; F226-L230 HydrophobicContact CE2-CD1 3.46Å; F226-L230 VanDerWaalsContact CE2-CD1 3.46Å; F226-L230 HydrophobicContact CE2-CD2 3.92Å; F226-L230 HydrophobicContact CE2-CG 3.62Å; F226-L230 HydrophobicContact CZ-CD1 3.54Å; F226-L230 HydrophobicContact CZ-CG 4.24Å; F226-L230 WeakPolarHBondContact O-CG 3.43Å; F226-L230 PolarHBondContact O-N 3.39Å; F226-I358 HydrophobicContact CE1-CD1 3.84Å; F226-I358 HydrophobicContact CE1-CG2 4.28Å; F226-I358 HydrophobicContact CZ-CD1 4.5Å; F226-I358 HydrophobicContact CZ-CG2 3.96Å; F226-T360 HydrophobicContact CE2-CG2 4.14Å; F226-T360 WeakPolarHBondContact CE2-OG1 3.39Å; F226-T360 HydrophobicContact CZ-CG2 3.81Å; F226-T360 VanDerWaalsContact CZ-OG1 3.23Å; F226-T360 WeakPolarHBondContact CZ-OG1 3.47Å; F226-V364 HydrophobicContact CB-CG2 4.38Å; F226-V364 HydrophobicContact CD1-CG2 4.04Å; F226-V364 HydrophobicContact CD2-CG2 3.69Å; F226-V364 HydrophobicContact CE1-CG2 4.2Å; F226-V364 HydrophobicContact CE2-CG2 3.87Å; F226-V364 HydrophobicContact CG-CG2 3.79Å; F226-V364 HydrophobicContact CZ-CG2 4.11Å; F226-I421 HydrophobicContact CB-CD1 3.74Å; F226-I421 HydrophobicContact CD2-CD1 4.16Å; F226-I421 HydrophobicContact CG-CD1 4.34Å
227E98.7Very high98.5Very high55 Ų5545.9 Ų45.926%0.25722%0.22SC..Hα-helixtrans-52.6-52.2173.6-174.1-168.9170.400110.9V213 S223 I229 L230 T231 F237 L239V213-E227 HydrophobicContact CG1-CB 4.42Å; V213-E227 HydrophobicContact CG1-CG 4.31Å; V213-E227 HydrophobicContact CG2-CB 3.82Å; S223-E227 PolarHBondContact O-N 3.43Å; E227-I229 VanDerWaalsContact C-N 3.31Å; E227-I229 PolarHBondContact O-N 2.79Å; E227-L230 PolarHBondContact O-N 2.77Å; E227-T231 WeakPolarHBondContact O-CB 3.37Å; E227-T231 PolarHBondContact O-N 3.44Å; E227-T231 PolarHBondContact O-OG1 3.05Å; E227-T231 VanDerWaalsContact O-OG1 3.05Å; E227-F237 HydrophobicContact CG-CD2 3.79Å; E227-F237 HydrophobicContact CG-CE2 4.17Å; E227-F237 HydrophobicContact CG-CG 4.29Å; E227-L239 WeakPolarHBondContact OE1-CD1 3.36Å
228R98.7Very high98.6Very high149 Ų14947.4 Ų47.456%0.56222%0.22SC*.Hα-helixtrans-57-42.8-179.2-177177.667119.3-3.4112.6K224 N225 F226 R232K224-R228 WeakPolarHBondContact O-CB 3.14Å; K224-R228 PolarHBondContact O-N 2.79Å; K224-R228 VanDerWaalsContact O-N 3.17Å; N225-R228 PolarHBondContact O-N 3.07Å; N225-R228 PolarHBondContact OD1-NH2 3.11Å; F226-R228 VanDerWaalsContact C-N 3.34Å; F226-R228 PolarHBondContact O-N 2.98Å; R228-R232 PolarHBondContact O-N 2.96Å
229I98.6Very high98.6Very high1 Ų148.8 Ų48.81%0.00523%0.227CC..Hα-helixtrans-68.6-46.2-179.6-68.3161.1000110.3N225 F226 E227 T231 R232 Q233 P362 D401 I421N225-I229 WeakPolarHBondContact O-CD1 3.5Å; N225-I229 VanDerWaalsContact O-CG1 3.26Å; N225-I229 WeakPolarHBondContact O-CG1 3.43Å; N225-I229 PolarHBondContact O-N 3.45Å; F226-I229 PolarHBondContact O-N 3.12Å; E227-I229 VanDerWaalsContact C-N 3.31Å; E227-I229 PolarHBondContact O-N 2.79Å; I229-T231 VanDerWaalsContact C-N 3.33Å; I229-T231 PolarHBondContact O-N 3.08Å; I229-R232 WeakPolarHBondContact O-CB 3.18Å; I229-R232 PolarHBondContact O-N 3.4Å; I229-Q233 WeakPolarHBondContact O-CG 3.33Å; I229-Q233 PolarHBondContact O-N 2.84Å; I229-Q233 VanDerWaalsContact O-N 3.15Å; I229-P362 HydrophobicContact CD1-CG 4.13Å; I229-P362 VanDerWaalsContact CG2-CD 3.45Å; I229-P362 HydrophobicContact CG2-CG 3.98Å; I229-D401 HydrophobicContact CD1-CB 4.13Å; I229-I421 HydrophobicContact CD1-CD1 3.82Å; I229-I421 HydrophobicContact CD1-CG1 4.48Å
230L98.8Very high98.5Very high0 Ų052.4 Ų52.40%025%0.246CC..Hα-helixtrans-63.4-38.2176.8-68.1-172.7000112.1V191 F226 E227 R232 Q233 G234 F235 F237V191-L230 HydrophobicContact CB-CD1 4.28Å; V191-L230 HydrophobicContact CG1-CD1 4.48Å; F226-L230 HydrophobicContact CD2-CD1 4.02Å; F226-L230 HydrophobicContact CD2-CG 3.92Å; F226-L230 HydrophobicContact CE1-CD1 4.14Å; F226-L230 HydrophobicContact CE2-CD1 3.46Å; F226-L230 VanDerWaalsContact CE2-CD1 3.46Å; F226-L230 HydrophobicContact CE2-CD2 3.92Å; F226-L230 HydrophobicContact CE2-CG 3.62Å; F226-L230 HydrophobicContact CZ-CD1 3.54Å; F226-L230 HydrophobicContact CZ-CG 4.24Å; F226-L230 WeakPolarHBondContact O-CG 3.43Å; F226-L230 PolarHBondContact O-N 3.39Å; E227-L230 PolarHBondContact O-N 2.77Å; L230-R232 PolarHBondContact O-N 2.82Å; L230-Q233 WeakPolarHBondContact O-CB 3.39Å; L230-Q233 PolarHBondContact O-N 3.19Å; L230-Q233 VanDerWaalsContact O-N 3.09Å; L230-G234 PolarHBondContact O-N 2.78Å; L230-F235 HydrophobicContact CB-CB 4.12Å; L230-F235 VanDerWaalsContact O-CB 3.29Å; L230-F235 WeakPolarHBondContact O-CB 3.41Å; L230-F235 PolarHBondContact O-N 2.95Å; L230-F237 HydrophobicContact CB-CE2 3.89Å; L230-F237 HydrophobicContact CB-CZ 4.06Å; L230-F237 HydrophobicContact CD1-CZ 3.92Å
231T98.7Very high98.5Very high69 Ų6950.1 Ų50.142%0.42324%0.236SC..Hα-helixtrans-61.9-41.7173.7-61.20000112.4E227 I229 Q233 G234 F235 F237E227-T231 WeakPolarHBondContact O-CB 3.37Å; E227-T231 PolarHBondContact O-N 3.44Å; E227-T231 PolarHBondContact O-OG1 3.05Å; E227-T231 VanDerWaalsContact O-OG1 3.05Å; I229-T231 VanDerWaalsContact C-N 3.33Å; I229-T231 PolarHBondContact O-N 3.08Å; T231-Q233 PolarHBondContact O-N 2.97Å; T231-G234 WeakPolarHBondContact O-CA 3.48Å; T231-G234 PolarHBondContact O-N 2.75Å; T231-F235 VanDerWaalsContact CA-O 3.24Å; T231-F235 WeakPolarHBondContact CA-O 3.34Å; T231-F235 PolarHBondContact OG1-O 3.39Å; T231-F237 WeakPolarHBondContact OG1-CD2 3.38Å
232R97.8Very high98.5Very high142 Ų14251.5 Ų51.554%0.53624%0.241SC..Hα-helixtrans-62.2-28.8174.1-173.117762.1-144.9-3.9112.6R228 I229 L230 G234 D401R228-R232 PolarHBondContact O-N 2.96Å; I229-R232 WeakPolarHBondContact O-CB 3.18Å; I229-R232 PolarHBondContact O-N 3.4Å; L230-R232 PolarHBondContact O-N 2.82Å; R232-G234 PolarHBondContact O-N 3.11Å; R232-D401 IonicContact CZ-OD1 3.59Å; R232-D401 IonicContact CZ-OD2 2.74Å; R232-D401 IonicContact NH1-OD1 3.97Å; R232-D401 IonicContact NH2-OD1 2.78Å; R232-D401 PolarHBondContact NH2-OD1 3.44Å; R232-D401 IonicContact NH2-OD2 2.68Å; R232-D401 PolarHBondContact NH2-OD2 2.88Å
233Q97.5Very high98.4Very high45 Ų4551.8 Ų51.821%0.2124%0.243CC..Hα-helixtrans-74.2-15.4174.6-64.9173.914.700113.2Q198 I229 L230 T231 H361Q198-Q233 PolarHBondContact NE2-O 3.48Å; I229-Q233 WeakPolarHBondContact O-CG 3.33Å; I229-Q233 PolarHBondContact O-N 2.84Å; I229-Q233 VanDerWaalsContact O-N 3.15Å; L230-Q233 WeakPolarHBondContact O-CB 3.39Å; L230-Q233 PolarHBondContact O-N 3.19Å; L230-Q233 VanDerWaalsContact O-N 3.09Å; T231-Q233 PolarHBondContact O-N 2.97Å; Q233-H361 PolarHBondContact NE2-O 3.5Å
234G98.2Very high98.3Very high33 Ų3354.2 Ų54.234%0.3426%0.257SS..THydrogen-bonded Turntrans110.46.2-179.700000114.4L230 T231 R232L230-G234 PolarHBondContact O-N 2.78Å; T231-G234 WeakPolarHBondContact O-CA 3.48Å; T231-G234 PolarHBondContact O-N 2.75Å; R232-G234 PolarHBondContact O-N 3.11Å
235F98.7Very high98.2Very high1 Ų149.1 Ų49.10%0.00424%0.241CC..  trans-79.8119.8176.3-157.5-41000110.1I183 G194 V204 A206 L230 T231 F237I183-F235 HydrophobicContact CD1-CZ 4.02Å; G194-F235 VanDerWaalsContact C-CE2 3.42Å; V204-F235 HydrophobicContact CB-CE1 4.47Å; V204-F235 HydrophobicContact CG1-CD1 4.15Å; V204-F235 HydrophobicContact CG1-CE1 3.61Å; V204-F235 HydrophobicContact CG1-CE2 4.32Å; V204-F235 HydrophobicContact CG1-CZ 3.72Å; A206-F235 HydrophobicContact CB-CE1 3.62Å; A206-F235 HydrophobicContact CB-CZ 4.17Å; L230-F235 HydrophobicContact CB-CB 4.12Å; L230-F235 VanDerWaalsContact O-CB 3.29Å; L230-F235 WeakPolarHBondContact O-CB 3.41Å; L230-F235 PolarHBondContact O-N 2.95Å; T231-F235 VanDerWaalsContact CA-O 3.24Å; T231-F235 WeakPolarHBondContact CA-O 3.34Å; T231-F235 PolarHBondContact OG1-O 3.39Å; F235-F237 HydrophobicContact CB-CE2 4.25Å; F235-F237 HydrophobicContact CB-CZ 4.44Å; F235-F237 HydrophobicContact CD1-CE1 4.02Å; F235-F237 HydrophobicContact CD1-CE2 4.06Å; F235-F237 AromaticContact CD1-CZ 3.72Å; F235-F237 HydrophobicContact CD1-CZ 3.72Å; F235-F237 HydrophobicContact CD2-CZ 4.42Å; F235-F237 AromaticContact CE1-CE1 3.92Å; F235-F237 HydrophobicContact CE1-CE1 3.92Å; F235-F237 HydrophobicContact CE1-CZ 4.04Å; F235-F237 HydrophobicContact CG-CE2 4.23Å; F235-F237 AromaticContact CG-CZ 3.96Å; F235-F237 HydrophobicContact CG-CZ 3.96Å; F235-F237 HydrophobicContact CZ-CE1 4.41Å; F235-F237 HydrophobicContact CZ-CZ 4.49Å
236K98.9Very high98.2Very high101 Ų10148.6 Ų48.644%0.43924%0.241SC..EExtended strand (participates in β ladder)trans-90.3142.5179.8-59.5165.7-175.2168.50111.7D203 V204 T205 A206D203-K236 VanDerWaalsContact OD1-CE 3.24Å; D203-K236 WeakPolarHBondContact OD1-CE 3.38Å; D203-K236 IonicContact OD1-NZ 2.93Å; D203-K236 PolarHBondContact OD1-NZ 3.28Å; D203-K236 IonicContact OD2-NZ 2.67Å; D203-K236 PolarHBondContact OD2-NZ 2.81Å; V204-K236 PolarHBondContact O-N 3.49Å; T205-K236 CarbonylContact C-O 3.28Å; T205-K236 WeakPolarHBondContact CA-O 3.49Å; T205-K236 HydrophobicContact CG2-CB 4.16Å; A206-K236 PolarHBondContact N-O 2.92Å
237F98.8Very high98Very high32 Ų3251.3 Ų51.314%0.1426%0.263CS..EExtended strand (participates in β ladder)trans-123.5141.6175.4-63.6-81.3000111.3A186 V191 A206 V213 E227 L230 T231 F235 L239A186-F237 HydrophobicContact CB-CD1 4.31Å; A186-F237 HydrophobicContact CB-CE1 4.31Å; V191-F237 HydrophobicContact CG1-CE1 4.28Å; A206-F237 HydrophobicContact CB-CD1 3.86Å; A206-F237 HydrophobicContact CB-CE1 4.03Å; A206-F237 CarbonylContact O-C 3.35Å; A206-F237 WeakPolarHBondContact O-CA 3.45Å; V213-F237 HydrophobicContact CG1-CD1 3.65Å; V213-F237 HydrophobicContact CG1-CE1 3.66Å; V213-F237 HydrophobicContact CG1-CG 4.25Å; V213-F237 HydrophobicContact CG1-CZ 4.27Å; E227-F237 HydrophobicContact CG-CD2 3.79Å; E227-F237 HydrophobicContact CG-CE2 4.17Å; E227-F237 HydrophobicContact CG-CG 4.29Å; L230-F237 HydrophobicContact CB-CE2 3.89Å; L230-F237 HydrophobicContact CB-CZ 4.06Å; L230-F237 HydrophobicContact CD1-CZ 3.92Å; T231-F237 WeakPolarHBondContact OG1-CD2 3.38Å; F235-F237 HydrophobicContact CB-CE2 4.25Å; F235-F237 HydrophobicContact CB-CZ 4.44Å; F235-F237 HydrophobicContact CD1-CE1 4.02Å; F235-F237 HydrophobicContact CD1-CE2 4.06Å; F235-F237 AromaticContact CD1-CZ 3.72Å; F235-F237 HydrophobicContact CD1-CZ 3.72Å; F235-F237 HydrophobicContact CD2-CZ 4.42Å; F235-F237 AromaticContact CE1-CE1 3.92Å; F235-F237 HydrophobicContact CE1-CE1 3.92Å; F235-F237 HydrophobicContact CE1-CZ 4.04Å; F235-F237 HydrophobicContact CG-CE2 4.23Å; F235-F237 AromaticContact CG-CZ 3.96Å; F235-F237 HydrophobicContact CG-CZ 3.96Å; F235-F237 HydrophobicContact CZ-CE1 4.41Å; F235-F237 HydrophobicContact CZ-CZ 4.49Å; F237-L239 HydrophobicContact CB-CD2 4.06Å; F237-L239 HydrophobicContact CB-CG 4.21Å; F237-L239 HydrophobicContact CD1-CD2 4.37Å
238K98.4Very high97.6Very high59 Ų5953 Ų5326%0.25728%0.277SS..EExtended strand (participates in β ladder)trans-12386.3165.4-77.8-178169.8-760107.9T205 A206 V207 E208 T241 E267 L269T205-K238 HydrophobicContact CG2-CD 4.42Å; T205-K238 HydrophobicContact CG2-CG 4.41Å; A206-K238 PolarHBondContact O-N 2.96Å; V207-K238 WeakPolarHBondContact CA-O 3.37Å; V207-K238 HydrophobicContact CG2-CB 4.38Å; E208-K238 PolarHBondContact N-O 2.68Å; K238-T241 HydrophobicContact CB-CG2 4.41Å; K238-T241 WeakPolarHBondContact O-CB 3.5Å; K238-E267 VanDerWaalsContact CD-OE1 3.3Å; K238-E267 WeakPolarHBondContact CD-OE1 3.43Å; K238-E267 WeakPolarHBondContact CE-OE1 3.11Å; K238-E267 IonicContact NZ-OE1 3.87Å; K238-E267 PolarHBondContact NZ-OE1 2.82Å; K238-E267 IonicContact NZ-OE2 3.69Å; K238-E267 PolarHBondContact NZ-OE2 2.78Å; K238-L269 HydrophobicContact CD-CD1 4.09Å; K238-L269 HydrophobicContact CD-CD2 4.4Å
239L98.3Very high96.7Very high30 Ų3048.1 Ų48.116%0.15727%0.273CS..  trans-83.2159.9177.5-51-173.6000110.6E208 V213 E227 F237 T241E208-L239 HydrophobicContact CB-CD2 3.79Å; E208-L239 HydrophobicContact CG-CD2 4.27Å; E208-L239 CarbonylContact O-C 3.52Å; V213-L239 HydrophobicContact CG1-CD1 4.38Å; V213-L239 HydrophobicContact CG1-CD2 3.77Å; E227-L239 WeakPolarHBondContact OE1-CD1 3.36Å; F237-L239 HydrophobicContact CB-CD2 4.06Å; F237-L239 HydrophobicContact CB-CG 4.21Å; F237-L239 HydrophobicContact CD1-CD2 4.37Å; L239-T241 PolarHBondContact O-N 3.47Å; L239-T241 PolarHBondContact O-OG1 2.77Å
240N98.1Very high96Very high75 Ų7551.1 Ų51.140%0.40130%0.304SS..SBendtrans53.137.4-172.3-54.3-85.9000112E208 F209 L210 V260E208-N240 PolarHBondContact O-N 2.81Å; F209-N240 WeakPolarHBondContact O-CA 3.4Å; L210-N240 PolarHBondContact O-N 3.47Å; N240-V260 WeakPolarHBondContact O-CB 3.46Å; N240-V260 WeakPolarHBondContact O-CG2 3.32Å; N240-V260 PolarHBondContact O-N 3.31Å
241T98.5Very high95.5Very high16 Ų1658.4 Ų58.410%0.09834%0.343CS..EExtended strand (participates in β ladder)trans-127127-176.3-60.10000110V207 E208 F209 K238 L239 V257 E258V207-T241 HydrophobicContact CG1-CG2 3.56Å; E208-T241 CarbonylContact C-O 3.22Å; E208-T241 VanDerWaalsContact C-O 3.24Å; E208-T241 PolarHBondContact O-N 3.29Å; E208-T241 VanDerWaalsContact O-O 3.09Å; F209-T241 WeakPolarHBondContact CA-O 3.16Å; F209-T241 PolarHBondContact N-O 2.89Å; K238-T241 HydrophobicContact CB-CG2 4.41Å; K238-T241 WeakPolarHBondContact O-CB 3.5Å; L239-T241 PolarHBondContact O-N 3.47Å; L239-T241 PolarHBondContact O-OG1 2.77Å; T241-V257 HydrophobicContact CG2-CB 3.57Å; T241-V257 HydrophobicContact CG2-CG1 4.35Å; T241-V257 HydrophobicContact CG2-CG2 3.66Å; T241-E258 CarbonylContact C-O 3.45Å; T241-E258 WeakPolarHBondContact CA-O 3.39Å
242K97.7Very high95.4Very high90 Ų9056.2 Ų56.239%0.39133%0.33SS..EExtended strand (participates in β ladder)trans-98.1131.7178.8176.1176.9161.2-141.70109.6F209 V257 E258 V260F209-K242 HydrophobicContact CD2-CB 4.03Å; F209-K242 HydrophobicContact CD2-CG 4.37Å; F209-K242 HydrophobicContact CE2-CB 4.38Å; F209-K242 HydrophobicContact CE2-CD 4.42Å; K242-V257 CarbonylContact O-C 3.5Å; K242-V257 VanDerWaalsContact O-CA 3.23Å; K242-V257 WeakPolarHBondContact O-CA 3.32Å; K242-E258 HydrophobicContact CB-CG 4.06Å; K242-E258 HydrophobicContact CD-CG 4.49Å; K242-E258 WeakPolarHBondContact CD-OE1 3.39Å; K242-E258 WeakPolarHBondContact CE-OE1 3.43Å; K242-E258 HydrophobicContact CG-CG 4.49Å; K242-E258 PolarHBondContact N-O 2.9Å; K242-E258 IonicContact NZ-OE1 3.13Å; K242-E258 PolarHBondContact NZ-OE1 3.38Å; K242-E258 PolarHBondContact O-N 3.44Å; K242-V260 HydrophobicContact CB-CG2 4.09Å
243V98.1Very high95.4Very high8 Ų849.5 Ų49.55%0.04831%0.305CS..EExtended strand (participates in β ladder)trans-80.6132166.9-178.40000108.9F155 I158 I184 V207 V255 V257F155-V243 HydrophobicContact CE1-CG1 4.5Å; F155-V243 HydrophobicContact CE2-CB 4.44Å; F155-V243 HydrophobicContact CZ-CB 3.91Å; F155-V243 HydrophobicContact CZ-CG1 4.32Å; F155-V243 WeakPolarHBondContact CZ-O 3.5Å; I158-V243 HydrophobicContact CD1-CG1 4.06Å; I184-V243 HydrophobicContact CD1-CB 4.31Å; I184-V243 HydrophobicContact CD1-CG1 3.92Å; I184-V243 HydrophobicContact CD1-CG2 4.05Å; I184-V243 HydrophobicContact CG1-CG2 4.04Å; I184-V243 HydrophobicContact CG2-CB 4.41Å; I184-V243 HydrophobicContact CG2-CG2 3.82Å; V207-V243 HydrophobicContact CB-CG2 4.2Å; V207-V243 HydrophobicContact CG1-CG2 3.76Å; V243-V255 HydrophobicContact CG1-CG1 3.8Å; V243-V255 HydrophobicContact CG2-CG1 4.36Å; V243-V257 HydrophobicContact CG2-CG1 3.99Å
244T96.7Very high95.4Very high52 Ų5251.4 Ų51.432%0.31931%0.312SS..EExtended strand (participates in β ladder)trans-105.5-30.3178.360.90000112.8T256 E258T244-T256 PolarHBondContact N-O 2.96Å; T244-T256 WeakPolarHBondContact OG1-CB 3.45Å; T244-T256 WeakPolarHBondContact OG1-CG2 3.2Å; T244-T256 PolarHBondContact OG1-O 3.44Å; T244-E258 HydrophobicContact CG2-CB 4.48Å; T244-E258 VanDerWaalsContact CG2-CD 3.48Å; T244-E258 HydrophobicContact CG2-CG 3.79Å
245S96.7Very high95.4Very high43 Ų4349.9 Ų49.930%0.30130%0.296SS..EExtended strand (participates in β ladder)trans-164.5159.3178.756.70000111.5T256S245-T256 PolarHBondContact O-N 3.42Å; S245-T256 WeakPolarHBondContact OG-CB 3.41Å; S245-T256 PolarHBondContact OG-OG1 3.01Å
246A97.4Very high95.3Very high20 Ų2050.1 Ų50.117%0.16530%0.298CS..EExtended strand (participates in β ladder)trans-132121.5165.300000109I158 I253 K254 V255 L274I158-A246 HydrophobicContact CD1-CB 3.69Å; I158-A246 HydrophobicContact CG1-CB 3.98Å; I158-A246 HydrophobicContact CG2-CB 4.21Å; A246-I253 HydrophobicContact CB-CG2 4.24Å; A246-K254 CarbonylContact C-O 3.04Å; A246-K254 WeakPolarHBondContact CA-O 3.32Å; A246-V255 HydrophobicContact CB-CG2 4.42Å; A246-L274 HydrophobicContact CB-CD2 3.42Å; A246-L274 VanDerWaalsContact CB-CD2 3.42Å
247A95.3Very high95.3Very high57 Ų5745.3 Ų45.347%0.47128%0.277SS..EExtended strand (participates in β ladder)trans-106.1119.1178.700000110.1G249 K254A247-G249 PolarHBondContact O-N 2.78Å; A247-K254 PolarHBondContact N-O 3.43Å; A247-K254 PolarHBondContact O-N 3.42Å
248T90.7Very high95.3Very high90 Ų9045.3 Ų45.355%0.55228%0.277SS*.EExtended strand (participates in β ladder)trans-8399.9170.754.70000108.4V165 I253V165-T248 HydrophobicContact CG2-CG2 3.67Å; T248-I253 HydrophobicContact CG2-CG1 4.28Å
249G78.4Confident95.2Very high46 Ų4643.8 Ų43.847%0.47428%0.276SS..EExtended strand (participates in β ladder)trans-148.2120.8-177.600000112.3A247 T252A247-G249 PolarHBondContact O-N 2.78Å; G249-T252 VanDerWaalsContact O-O 3.06Å
250G85.2Confident95.1Very high64 Ų6444.9 Ų44.966%0.6628%0.284SS*.THydrogen-bonded Turntrans70.2-145.9-175.300000112.8R164 T252R164-G250 PolarHBondContact NH1-O 3.39Å; G250-T252 VanDerWaalsContact C-N 3.32Å; G250-T252 PolarHBondContact O-N 2.82Å
251D88.6Confident94.9Very high153 Ų15350.5 Ų50.582%0.81830%0.304SS*.THydrogen-bonded Turntrans-76.8-15.5-173.6-63.5-25.3000113.6R164R164-D251 VanDerWaalsContact NH2-C 3.27Å; R164-D251 PolarHBondContact NH2-O 3.44Å
252T95.1Very high94.8Very high24 Ų2452.5 Ų52.515%0.14731%0.314CS..EExtended strand (participates in β ladder)trans-127162.6-175.861.50000111.8G249 G250 C271G249-T252 VanDerWaalsContact O-O 3.06Å; G250-T252 VanDerWaalsContact C-N 3.32Å; G250-T252 PolarHBondContact O-N 2.82Å; T252-C271 CarbonylContact C-O 3.58Å; T252-C271 WeakPolarHBondContact CA-O 3.15Å
253I97.9Very high94.5Very high0 Ų052.2 Ų52.20%032%0.324CS..EExtended strand (participates in β ladder)trans-99.2127.8167.8-58.3168.3000107.3R164 V165 A246 T248 V255 E270 C271 L274R164-I253 HydrophobicContact CB-CD1 3.72Å; R164-I253 HydrophobicContact CB-CG1 4.47Å; R164-I253 VanDerWaalsContact O-CD1 3.31Å; R164-I253 WeakPolarHBondContact O-CD1 3.44Å; V165-I253 HydrophobicContact CG2-CD1 3.91Å; A246-I253 HydrophobicContact CB-CG2 4.24Å; T248-I253 HydrophobicContact CG2-CG1 4.28Å; I253-V255 HydrophobicContact CG2-CG2 4.12Å; I253-E270 WeakPolarHBondContact O-CA 3.49Å; I253-C271 PolarHBondContact N-O 3.09Å; I253-C271 PolarHBondContact O-N 3.35Å; I253-L274 HydrophobicContact CD1-CB 3.82Å; I253-L274 HydrophobicContact CG2-CB 4.49Å; I253-L274 HydrophobicContact CG2-CD2 4.32Å
254K97.4Very high94.3Very high86 Ų8656.3 Ų56.337%0.37435%0.353SS..EExtended strand (participates in β ladder)trans-96.2111.3173.5-66.5-173.3175-165.70110A246 A247 L269 E270A246-K254 CarbonylContact C-O 3.04Å; A246-K254 WeakPolarHBondContact CA-O 3.32Å; A247-K254 PolarHBondContact N-O 3.43Å; A247-K254 PolarHBondContact O-N 3.42Å; K254-L269 CarbonylContact C-O 3.54Å; K254-L269 WeakPolarHBondContact CA-O 3.31Å; K254-E270 HydrophobicContact CG-CG 4.32Å
255V98.3Very high94.1Very high0 Ų060.4 Ų60.40%037%0.366CS..EExtended strand (participates in β ladder)trans-99.2112.4177.2-172.40000108.1V182 V243 A246 I253 V257 L269 L274V182-V255 HydrophobicContact CB-CG2 4.39Å; V182-V255 HydrophobicContact CG1-CG1 4.39Å; V182-V255 HydrophobicContact CG1-CG2 4.17Å; V243-V255 HydrophobicContact CG1-CG1 3.8Å; V243-V255 HydrophobicContact CG2-CG1 4.36Å; A246-V255 HydrophobicContact CB-CG2 4.42Å; I253-V255 HydrophobicContact CG2-CG2 4.12Å; V255-V257 HydrophobicContact CG1-CG1 4.01Å; V255-L269 HydrophobicContact CB-CB 4.31Å; V255-L269 PolarHBondContact N-O 2.96Å; V255-L269 PolarHBondContact O-N 3.23Å; V255-L274 HydrophobicContact CG2-CD1 3.84Å; V255-L274 HydrophobicContact CG2-CD2 4.11Å
256T97.8Very high94.1Very high7 Ų765.9 Ų65.94%0.04338%0.38CS..EExtended strand (participates in β ladder)trans-84.9131174.5-60.90000109.7T244 S245 R266T244-T256 PolarHBondContact N-O 2.96Å; T244-T256 WeakPolarHBondContact OG1-CB 3.45Å; T244-T256 WeakPolarHBondContact OG1-CG2 3.2Å; T244-T256 PolarHBondContact OG1-O 3.44Å; S245-T256 PolarHBondContact O-N 3.42Å; S245-T256 WeakPolarHBondContact OG-CB 3.41Å; S245-T256 PolarHBondContact OG-OG1 3.01Å; T256-R266 HydrophobicContact CG2-CG 3.8Å
257V98.1Very high94.1Very high0 Ų068.3 Ų68.30%039%0.388CS..EExtended strand (participates in β ladder)trans-132.2155.6176.6-49.30000112.1V207 T241 K242 V243 V255 R266 E267 L269V207-V257 HydrophobicContact CG1-CG1 4.08Å; V207-V257 HydrophobicContact CG2-CG1 4.35Å; T241-V257 HydrophobicContact CG2-CB 3.57Å; T241-V257 HydrophobicContact CG2-CG1 4.35Å; T241-V257 HydrophobicContact CG2-CG2 3.66Å; K242-V257 CarbonylContact O-C 3.5Å; K242-V257 VanDerWaalsContact O-CA 3.23Å; K242-V257 WeakPolarHBondContact O-CA 3.32Å; V243-V257 HydrophobicContact CG2-CG1 3.99Å; V255-V257 HydrophobicContact CG1-CG1 4.01Å; V257-R266 WeakPolarHBondContact O-CA 3.45Å; V257-E267 HydrophobicContact CG2-CG 3.26Å; V257-E267 VanDerWaalsContact CG2-OE1 3.23Å; V257-E267 WeakPolarHBondContact CG2-OE1 3.38Å; V257-E267 PolarHBondContact N-O 2.05Å; V257-E267 PolarHBondContact O-N 3.05Å; V257-L269 HydrophobicContact CG1-CD1 4.29Å
258E97.7Very high94.1Very high32 Ų3270.8 Ų70.815%0.1539%0.39CS..EExtended strand (participates in β ladder)trans-136.7151.1176.468.2-173.6178.900110.8T241 K242 T244 V260 S263 K265T241-E258 CarbonylContact C-O 3.45Å; T241-E258 WeakPolarHBondContact CA-O 3.39Å; K242-E258 HydrophobicContact CB-CG 4.06Å; K242-E258 HydrophobicContact CD-CG 4.49Å; K242-E258 WeakPolarHBondContact CD-OE1 3.39Å; K242-E258 WeakPolarHBondContact CE-OE1 3.43Å; K242-E258 HydrophobicContact CG-CG 4.49Å; K242-E258 PolarHBondContact N-O 2.9Å; K242-E258 IonicContact NZ-OE1 3.13Å; K242-E258 PolarHBondContact NZ-OE1 3.38Å; K242-E258 PolarHBondContact O-N 3.44Å; T244-E258 HydrophobicContact CG2-CB 4.48Å; T244-E258 VanDerWaalsContact CG2-CD 3.48Å; T244-E258 HydrophobicContact CG2-CG 3.79Å; E258-V260 PolarHBondContact O-N 3.23Å; E258-S263 WeakPolarHBondContact OE2-CB 3.46Å; E258-K265 WeakPolarHBondContact CA-O 3.47Å
259A97.6Very high94.5Very high27 Ų2767.9 Ų67.922%0.22337%0.371CS..EExtended strand (participates in β ladder)trans-66.1134.9172.800000110.3K261 D262 K265A259-K261 PolarHBondContact O-N 3.16Å; A259-K261 VanDerWaalsContact O-N 3.14Å; A259-D262 HydrophobicContact CB-CB 4.43Å; A259-D262 CarbonylContact O-C 3.57Å; A259-D262 VanDerWaalsContact O-C 3.28Å; A259-D262 PolarHBondContact O-N 3.2Å; A259-K265 HydrophobicContact CB-CB 4.05Å; A259-K265 HydrophobicContact CB-CD 4.42Å; A259-K265 PolarHBondContact N-O 3.22Å
260V95.6Very high95.3Very high53 Ų5369.4 Ų69.432%0.32137%0.366SS..THydrogen-bonded Turntrans-58.2-34.1-176.9168.80000112.4F209 N240 K242 E258F209-V260 HydrophobicContact CD2-CG2 3.49Å; F209-V260 VanDerWaalsContact CD2-CG2 3.49Å; F209-V260 HydrophobicContact CE1-CG1 4.42Å; F209-V260 HydrophobicContact CE2-CB 4.33Å; F209-V260 HydrophobicContact CE2-CG1 3.81Å; F209-V260 HydrophobicContact CE2-CG2 3.57Å; F209-V260 HydrophobicContact CG-CG2 4.11Å; F209-V260 HydrophobicContact CZ-CG1 3.75Å; F209-V260 HydrophobicContact CZ-CG2 4.23Å; N240-V260 WeakPolarHBondContact O-CB 3.46Å; N240-V260 WeakPolarHBondContact O-CG2 3.32Å; N240-V260 PolarHBondContact O-N 3.31Å; K242-V260 HydrophobicContact CB-CG2 4.09Å; E258-V260 PolarHBondContact O-N 3.23Å
261K95.1Very high96Very high192 Ų19266.3 Ų66.384%0.83533%0.334SS*.THydrogen-bonded Turntrans-92.5-5.9-179.3-66.4-178.5177.5177.30114A259A259-K261 PolarHBondContact O-N 3.16Å; A259-K261 VanDerWaalsContact O-N 3.14Å
262D94.5Very high96.4Very high58 Ų5860.9 Ų60.931%0.3131%0.305SS..EExtended strand (participates in β ladder)trans-157.994-174.2-175.8-3.3000111A259 S264 K265A259-D262 HydrophobicContact CB-CB 4.43Å; A259-D262 CarbonylContact O-C 3.57Å; A259-D262 VanDerWaalsContact O-C 3.28Å; A259-D262 PolarHBondContact O-N 3.2Å; D262-S264 PolarHBondContact O-N 2.63Å; D262-S264 VanDerWaalsContact O-N 3.14Å; D262-S264 WeakPolarHBondContact OD1-CB 3.41Å; D262-S264 PolarHBondContact OD1-N 3.3Å; D262-S264 VanDerWaalsContact OD1-N 3.08Å; D262-S264 PolarHBondContact OD1-OG 3.41Å; D262-K265 HydrophobicContact CB-CD 4.3Å; D262-K265 HydrophobicContact CB-CG 4.41Å; D262-K265 PolarHBondContact O-N 3.11Å; D262-K265 VanDerWaalsContact O-N 3.14Å; D262-K265 WeakPolarHBondContact OD2-CE 3.31Å; D262-K265 IonicContact OD2-NZ 3.95Å
263S91.8Very high96.5Very high84 Ų8460.3 Ų60.359%0.58730%0.302SS*.EExtended strand (participates in β ladder)trans-66.6-11.4-179.160.70000113.9E258 K265E258-S263 WeakPolarHBondContact OE2-CB 3.46Å; S263-K265 VanDerWaalsContact C-N 3.27Å
264S93.6Very high96.6Very high95 Ų9560.3 Ų60.366%0.66430%0.302SS*.EExtended strand (participates in β ladder)trans-73.9-22.1174.776.30000112.3D262 R266D262-S264 PolarHBondContact O-N 2.63Å; D262-S264 VanDerWaalsContact O-N 3.14Å; D262-S264 WeakPolarHBondContact OD1-CB 3.41Å; D262-S264 PolarHBondContact OD1-N 3.3Å; D262-S264 VanDerWaalsContact OD1-N 3.08Å; D262-S264 PolarHBondContact OD1-OG 3.41Å; S264-R266 PolarHBondContact O-N 2.74Å
265K94.1Very high96.6Very high138 Ų13856.2 Ų56.260%0.628%0.284SS*.EExtended strand (participates in β ladder)trans-83.963.9176.8-66.1-178.2-179176.40111E258 A259 D262 S263E258-K265 WeakPolarHBondContact CA-O 3.47Å; A259-K265 HydrophobicContact CB-CB 4.05Å; A259-K265 HydrophobicContact CB-CD 4.42Å; A259-K265 PolarHBondContact N-O 3.22Å; D262-K265 HydrophobicContact CB-CD 4.3Å; D262-K265 HydrophobicContact CB-CG 4.41Å; D262-K265 PolarHBondContact O-N 3.11Å; D262-K265 VanDerWaalsContact O-N 3.14Å; D262-K265 WeakPolarHBondContact OD2-CE 3.31Å; D262-K265 IonicContact OD2-NZ 3.95Å; S263-K265 VanDerWaalsContact C-N 3.27Å
266R95.6Very high96.6Very high157 Ų15756.2 Ų56.259%0.59228%0.284SS*.EExtended strand (participates in β ladder)trans-86.7137.5176.8-172.7175.9173.8166.84110.6T256 V257 S264T256-R266 HydrophobicContact CG2-CG 3.8Å; V257-R266 WeakPolarHBondContact O-CA 3.45Å; S264-R266 PolarHBondContact O-N 2.74Å
267E96.9Very high96.6Very high71 Ų7156.5 Ų56.533%0.33229%0.286SS..EExtended strand (participates in β ladder)trans-139.8160173.470.1-173.3161.300110.4K238 V257K238-E267 VanDerWaalsContact CD-OE1 3.3Å; K238-E267 WeakPolarHBondContact CD-OE1 3.43Å; K238-E267 WeakPolarHBondContact CE-OE1 3.11Å; K238-E267 IonicContact NZ-OE1 3.87Å; K238-E267 PolarHBondContact NZ-OE1 2.82Å; K238-E267 IonicContact NZ-OE2 3.69Å; K238-E267 PolarHBondContact NZ-OE2 2.78Å; V257-E267 HydrophobicContact CG2-CG 3.26Å; V257-E267 VanDerWaalsContact CG2-OE1 3.23Å; V257-E267 WeakPolarHBondContact CG2-OE1 3.38Å; V257-E267 PolarHBondContact N-O 2.05Å; V257-E267 PolarHBondContact O-N 3.05Å
268E97Very high96.6Very high110 Ų11059.5 Ų59.551%0.51430%0.304SS..EExtended strand (participates in β ladder)trans-111.6130.4172.6-68-171.6170.500109.9
269L97.3Very high96.5Very high28 Ų2859.5 Ų59.515%0.14731%0.313CS..EExtended strand (participates in β ladder)trans-102.4142.4168.6-58177.5000109.2V182 V207 K238 K254 V255 V257V182-L269 HydrophobicContact CG2-CB 4.17Å; V182-L269 HydrophobicContact CG2-CD1 4.3Å; V207-L269 HydrophobicContact CG2-CD1 3.7Å; K238-L269 HydrophobicContact CD-CD1 4.09Å; K238-L269 HydrophobicContact CD-CD2 4.4Å; K254-L269 CarbonylContact C-O 3.54Å; K254-L269 WeakPolarHBondContact CA-O 3.31Å; V255-L269 HydrophobicContact CB-CB 4.31Å; V255-L269 PolarHBondContact N-O 2.96Å; V255-L269 PolarHBondContact O-N 3.23Å; V257-L269 HydrophobicContact CG1-CD1 4.29Å
270E97.2Very high96.6Very high78 Ų7860.8 Ų60.836%0.36431%0.312SS..EExtended strand (participates in β ladder)trans-114.3134.4173.8-71.2-170.4171.900111.2R180 I253 K254R180-E270 IonicContact CZ-OE2 2.8Å; R180-E270 IonicContact NH1-OE2 3.98Å; R180-E270 PolarHBondContact NH1-OE2 2.96Å; R180-E270 IonicContact NH2-OE2 2.79Å; R180-E270 PolarHBondContact NH2-OE2 3.02Å; I253-E270 WeakPolarHBondContact O-CA 3.49Å; K254-E270 HydrophobicContact CG-CG 4.32Å
271C98.3Very high96.7Very high0 Ų063.2 Ų63.20%032%0.315CS..EExtended strand (participates in β ladder)trans-142.9162.5177.159.50000112.3R180 V182 T252 I253 V273R180-C271 HydrophobicContact CB-CB 4.25Å; R180-C271 WeakPolarHBondContact O-CB 3.46Å; V182-C271 HydrophobicContact CB-CB 4.08Å; V182-C271 HydrophobicContact CG2-CB 3.75Å; T252-C271 CarbonylContact C-O 3.58Å; T252-C271 WeakPolarHBondContact CA-O 3.15Å; I253-C271 PolarHBondContact N-O 3.09Å; I253-C271 PolarHBondContact O-N 3.35Å; C271-V273 PolarHBondContact SG-O 3.05Å; C271-V273 VanDerWaalsContact SG-O 3.4Å
272D97.1Very high96.9Very high38 Ų3855 Ų5520%0.20328%0.281CS..SBendtrans-84.2-37.5172.4-47.8-56.7000110.2R164 K179 R180R164-D272 PolarHBondContact NE-O 2.9Å; R164-D272 PolarHBondContact NH2-O 2.55Å; K179-D272 WeakPolarHBondContact CA-OD2 3.47Å; K179-D272 WeakPolarHBondContact CB-OD2 3.4Å; K179-D272 PolarHBondContact N-OD2 2.88Å; R180-D272 PolarHBondContact N-OD2 2.96Å; R180-D272 PolarHBondContact O-N 3.2Å
273V98.2Very high97Very high12 Ų1254.4 Ų54.47%0.07328%0.275CS..EExtended strand (participates in β ladder)trans-128.4134.3-178.6173.40000110R164 L166 L174 P178 R180 M181 V182 C271R164-V273 CarbonylContact O-C 3.55Å; R164-V273 WeakPolarHBondContact O-CA 2.95Å; L166-V273 HydrophobicContact CD1-CG1 3.41Å; L166-V273 VanDerWaalsContact CD1-CG1 3.41Å; L166-V273 HydrophobicContact CG-CG1 3.91Å; L174-V273 HydrophobicContact CD1-CG1 4.43Å; L174-V273 HydrophobicContact CD2-CG2 4.34Å; P178-V273 HydrophobicContact CB-CB 4.09Å; P178-V273 HydrophobicContact CB-CG2 3.83Å; P178-V273 HydrophobicContact CG-CG2 4.48Å; R180-V273 PolarHBondContact O-N 2.96Å; M181-V273 WeakPolarHBondContact CA-O 3.34Å; M181-V273 HydrophobicContact CG-CG1 4.48Å; V182-V273 PolarHBondContact N-O 3.38Å; V182-V273 VanDerWaalsContact N-O 3.08Å; C271-V273 PolarHBondContact SG-O 3.05Å; C271-V273 VanDerWaalsContact SG-O 3.4Å
274L98.7Very high97.3Very high0 Ų051.8 Ų51.80%026%0.256CS..EExtended strand (participates in β ladder)trans-112122.8171.917960.7000109.1I158 R164 V165 L166 V182 I184 A246 I253 V255 V276I158-L274 HydrophobicContact CG2-CD2 4.35Å; R164-L274 PolarHBondContact O-N 3.17Å; V165-L274 CarbonylContact C-O 3.26Å; V165-L274 WeakPolarHBondContact CA-O 2.99Å; V165-L274 HydrophobicContact CG1-CD2 4.17Å; V165-L274 HydrophobicContact CG1-CG 4.49Å; V165-L274 HydrophobicContact CG2-CB 4.47Å; V165-L274 HydrophobicContact CG2-CD2 4.44Å; L166-L274 PolarHBondContact N-O 3.12Å; V182-L274 HydrophobicContact CB-CD1 3.91Å; V182-L274 HydrophobicContact CG1-CD1 3.69Å; V182-L274 CarbonylContact O-C 3.51Å; V182-L274 WeakPolarHBondContact O-CA 3.49Å; V182-L274 WeakPolarHBondContact O-CD1 3.39Å; I184-L274 HydrophobicContact CD1-CD1 3.95Å; I184-L274 HydrophobicContact CD1-CD2 4.16Å; I184-L274 HydrophobicContact CD1-CG 4.35Å; I184-L274 HydrophobicContact CG1-CD1 3.73Å; A246-L274 HydrophobicContact CB-CD2 3.42Å; A246-L274 VanDerWaalsContact CB-CD2 3.42Å; I253-L274 HydrophobicContact CD1-CB 3.82Å; I253-L274 HydrophobicContact CG2-CB 4.49Å; I253-L274 HydrophobicContact CG2-CD2 4.32Å; V255-L274 HydrophobicContact CG2-CD1 3.84Å; V255-L274 HydrophobicContact CG2-CD2 4.11Å; L274-V276 HydrophobicContact CG-CG2 4.45Å
275L98.8Very high97.3Very high0 Ų050.2 Ų50.20%024%0.242CC..EExtended strand (participates in β ladder)trans-100122.2171.2167.860.2000110S167 A171 M181 V182 I183 I184 L193 C277S167-L275 VanDerWaalsContact O-CD1 3.31Å; S167-L275 WeakPolarHBondContact O-CD1 3.42Å; A171-L275 HydrophobicContact CB-CD1 3.91Å; A171-L275 HydrophobicContact CB-CD2 4.27Å; M181-L275 HydrophobicContact CE-CB 3.44Å; M181-L275 VanDerWaalsContact CE-CB 3.44Å; M181-L275 HydrophobicContact CE-CD2 3.63Å; M181-L275 HydrophobicContact CE-CG 4.15Å; V182-L275 PolarHBondContact O-N 2.82Å; I183-L275 CarbonylContact C-O 3.13Å; I183-L275 WeakPolarHBondContact CA-O 3.37Å; I183-L275 HydrophobicContact CD1-CD2 4.31Å; I183-L275 HydrophobicContact CG1-CB 4.25Å; I183-L275 HydrophobicContact CG1-CD2 4.28Å; I183-L275 HydrophobicContact CG2-CB 4.43Å; I183-L275 HydrophobicContact CG2-CD2 4.05Å; I183-L275 HydrophobicContact CG2-CG 4.18Å; I184-L275 PolarHBondContact N-O 3.34Å; L193-L275 HydrophobicContact CB-CD2 3.96Å; L193-L275 HydrophobicContact CD1-CD2 4.05Å; L275-C277 HydrophobicContact CD1-CB 4.28Å; L275-C277 HydrophobicContact CG-CB 4.26Å
276V98.6Very high97.4Very high0 Ų049.1 Ų49.10%024%0.243CC..EExtended strand (participates in β ladder)trans-98.3108.8173.2-174.60000109F155 I158 I160 V165 L166 I184 L274F155-V276 HydrophobicContact CB-CG1 3.75Å; I158-V276 HydrophobicContact CG2-CG2 4.19Å; I160-V276 HydrophobicContact CD1-CB 4Å; I160-V276 HydrophobicContact CD1-CG1 4.26Å; I160-V276 HydrophobicContact CD1-CG2 4.5Å; I160-V276 HydrophobicContact CG1-CB 4.25Å; I160-V276 HydrophobicContact CG1-CG2 4.2Å; V165-V276 HydrophobicContact CG1-CG2 3.97Å; L166-V276 PolarHBondContact O-N 3.45Å; I184-V276 HydrophobicContact CD1-CG2 4.36Å; L274-V276 HydrophobicContact CG-CG2 4.45Å
277C97.3Very high97.5Very high14 Ų1441.9 Ų41.910%0.09522%0.216CC..  trans-140.748.9-179.558.40000112.2I183 I184 G185 I189 G190 L275 G279I183-C277 WeakPolarHBondContact CG2-SG 3.47Å; I184-C277 CarbonylContact O-C 3.33Å; I184-C277 PolarHBondContact O-N 3.08Å; I184-C277 PolarHBondContact O-SG 2.74Å; G185-C277 PolarHBondContact O-SG 3.29Å; I189-C277 HydrophobicContact CG2-CB 4.11Å; G190-C277 WeakPolarHBondContact CA-SG 3.42Å; L275-C277 HydrophobicContact CD1-CB 4.28Å; L275-C277 HydrophobicContact CG-CB 4.26Å; C277-G279 PolarHBondContact O-N 2.7Å
278V97.1Very high97.6Very high63 Ų6338.5 Ų38.538%0.38220%0.2SC..SBendtrans-74.9-4.2-179-64.70000114.7T153 F155 I184T153-V278 HydrophobicContact CG2-CG2 4.3Å; F155-V278 HydrophobicContact CD2-CG1 3.8Å; F155-V278 HydrophobicContact CD2-CG2 4.36Å; F155-V278 HydrophobicContact CE2-CG1 4.21Å; I184-V278 HydrophobicContact CB-CG1 4.24Å; I184-V278 HydrophobicContact CG2-CG1 3.54Å; I184-V278 PolarHBondContact O-N 2.94Å
279G96.8Very high97.6Very high32 Ų3233.6 Ų33.633%0.3318%0.178SC..  trans150.1-176.317700000112.6T153 C277T153-G279 PolarHBondContact N-O 2.93Å; T153-G279 VanDerWaalsContact N-O 3.11Å; T153-G279 PolarHBondContact OG1-O 3.39Å; C277-G279 PolarHBondContact O-N 2.7Å
280R98.3Very high97.6Very high53 Ų5338.8 Ų38.820%0.220%0.201CC..EExtended strand (participates in β ladder)trans-124.8157.1172-61.9-17762.873.22.9108.8T45 S150 E151 T153 I189 M326T45-R280 PolarHBondContact OG1-NH2 3.23Å; S150-R280 PolarHBondContact O-NH2 3.45Å; S150-R280 PolarHBondContact OG-NE 3.48Å; S150-R280 PolarHBondContact OG-NH2 3.13Å; E151-R280 CarbonylContact O-C 3.59Å; E151-R280 VanDerWaalsContact O-CA 3.27Å; E151-R280 WeakPolarHBondContact O-CA 3.42Å; T153-R280 WeakPolarHBondContact OG1-CA 3.44Å; T153-R280 PolarHBondContact OG1-N 3.43Å; T153-R280 PolarHBondContact OG1-O 3.11Å; I189-R280 HydrophobicContact CD1-CG 4.46Å; R280-M326 HydrophobicContact CB-CE 3.64Å; R280-M326 HydrophobicContact CB-SD 4.2Å
281R98Very high97.5Very high105 Ų10538.5 Ų38.540%0.39621%0.208SC..EExtended strand (participates in β ladder)trans-133.1151.8176.566.6-179.1-174.2-173.40.5111.1S150 E151S150-R281 CarbonylContact C-O 3.35Å; S150-R281 WeakPolarHBondContact CA-O 3.47Å; S150-R281 WeakPolarHBondContact CB-O 3.36Å; E151-R281 HydrophobicContact CG-CG 3.75Å; E151-R281 PolarHBondContact N-O 2.99Å; E151-R281 PolarHBondContact O-N 3.5Å; E151-R281 IonicContact OE1-CZ 3.2Å; E151-R281 IonicContact OE1-NE 3.45Å; E151-R281 PolarHBondContact OE1-NE 3.07Å; E151-R281 IonicContact OE1-NH2 3.41Å; E151-R281 PolarHBondContact OE1-NH2 3.17Å
282P98.8Very high97.5Very high18 Ų1839.4 Ų39.412%0.11721%0.213CC..EExtended strand (participates in β ladder)trans-50.7139.1174.6-29.236.9000112.6T284 G300 R301P282-T284 HydrophobicContact CB-CG2 4.39Å; P282-G300 WeakPolarHBondContact CB-O 2.93Å; P282-R301 HydrophobicContact CB-CG 4.5Å; P282-R301 HydrophobicContact CG-CB 4.17Å; P282-R301 HydrophobicContact CG-CG 3.37Å
283Y98.4Very high97.5Very high46 Ų4640 Ų4018%0.1823%0.229CC..  trans-99.2102.7171-177.9-99.9000109.4S148 G149 E151S148-Y283 VanDerWaalsContact CB-O 3.25Å; S148-Y283 WeakPolarHBondContact CB-O 3.49Å; S148-Y283 PolarHBondContact OG-O 2.85Å; G149-Y283 PolarHBondContact O-N 2.96Å; E151-Y283 HydrophobicContact CB-CD2 4.41Å; E151-Y283 HydrophobicContact CG-CD2 4.34Å; E151-Y283 WeakPolarHBondContact OE2-CD2 3.42Å
284T96.9Very high97.5Very high30 Ų3039.9 Ų39.918%0.18423%0.227CC..  trans-120.88.2179.254.50000113.2P282 N286 L289 V296 G300 I302P282-T284 HydrophobicContact CB-CG2 4.39Å; T284-N286 PolarHBondContact O-N 3.12Å; T284-L289 HydrophobicContact CG2-CD1 4.25Å; T284-V296 HydrophobicContact CG2-CG1 4.18Å; T284-G300 WeakPolarHBondContact CG2-O 3.24Å; T284-I302 HydrophobicContact CG2-CD1 4.06Å; T284-I302 HydrophobicContact CG2-CG1 3.87Å
285T93.8Very high97.5Very high62 Ų6248.1 Ų48.138%0.3826%0.263SS..THydrogen-bonded Turntrans-62.9128.3-176.2-540000112.2L287T285-L287 PolarHBondContact O-N 2.92Å; T285-L287 VanDerWaalsContact O-N 3.13Å
286N95.9Very high97.5Very high114 Ų11451.2 Ų51.261%0.6128%0.282SS*.THydrogen-bonded Turntrans53.430.6174.5-59.7-25.8000114.6H118 T120 T284 G288H118-N286 PolarHBondContact NE2-O 2.88Å; T120-N286 PolarHBondContact OG1-O 3.01Å; T284-N286 PolarHBondContact O-N 3.12Å; N286-G288 VanDerWaalsContact C-N 3.32Å
287L98.1Very high97.4Very high5 Ų553 Ų533%0.02629%0.291CS..SBendtrans-81.6-9.5175.1-68.5-177.2000113.3I13 I121 I146 T285 L289I13-L287 HydrophobicContact CG2-CD2 4.11Å; I121-L287 WeakPolarHBondContact CB-O 3.34Å; I121-L287 WeakPolarHBondContact CG1-O 3.43Å; I121-L287 PolarHBondContact N-O 2.84Å; I146-L287 HydrophobicContact CG2-CD1 3.88Å; T285-L287 PolarHBondContact O-N 2.92Å; T285-L287 VanDerWaalsContact O-N 3.13Å; L287-L289 HydrophobicContact CB-CD2 4.23Å; L287-L289 HydrophobicContact CB-CG 4.12Å
288G98.3Very high97.4Very high0 Ų060 Ų600%032%0.322CS..  trans79.721.6-177.200000113.9N286 E290 S291N286-G288 VanDerWaalsContact C-N 3.32Å; G288-E290 WeakPolarHBondContact CA-OE1 3.39Å; G288-E290 PolarHBondContact O-N 2.83Å; G288-S291 VanDerWaalsContact O-CB 3.32Å; G288-S291 WeakPolarHBondContact O-CB 3.25Å; G288-S291 PolarHBondContact O-N 3.02Å
289L98.4Very high97.4Very high8 Ų863.4 Ų63.44%0.04233%0.332CS..THydrogen-bonded Turntrans-58.9-39.3-178.7-60-176.1000111.6I121 I146 T284 L287 S291 V292 G293 I294 V296 I302I121-L289 HydrophobicContact CD1-CD2 4.44Å; I146-L289 HydrophobicContact CD1-CD2 3.76Å; T284-L289 HydrophobicContact CG2-CD1 4.25Å; L287-L289 HydrophobicContact CB-CD2 4.23Å; L287-L289 HydrophobicContact CB-CG 4.12Å; L289-S291 VanDerWaalsContact C-N 3.28Å; L289-S291 PolarHBondContact O-N 3.2Å; L289-V292 CarbonylContact O-C 3.54Å; L289-V292 WeakPolarHBondContact O-CG2 3.37Å; L289-V292 PolarHBondContact O-N 2.65Å; L289-G293 PolarHBondContact O-N 2.94Å; L289-I294 HydrophobicContact CB-CB 4.21Å; L289-I294 HydrophobicContact CD2-CB 4.43Å; L289-I294 HydrophobicContact CD2-CG2 4.32Å; L289-I294 PolarHBondContact O-N 2.89Å; L289-V296 HydrophobicContact CD1-CG1 3.75Å; L289-I302 HydrophobicContact CD1-CD1 4.17Å; L289-I302 HydrophobicContact CD1-CG1 4.07Å; L289-I302 HydrophobicContact CD2-CD1 4.29Å
290E96.6Very high97.5Very high137 Ų13762.9 Ų62.964%0.6433%0.327SS*.G310 helixtrans-61.8-33.8175.666.7-69.416300112.8G288 V292 G293G288-E290 WeakPolarHBondContact CA-OE1 3.39Å; G288-E290 PolarHBondContact O-N 2.83Å; E290-V292 PolarHBondContact O-N 2.96Å; E290-G293 PolarHBondContact O-N 3.32Å
291S95.5Very high97.5Very high72 Ų7262.2 Ų62.250%0.50332%0.324SS..G310 helixtrans-68.1-21.1179.8-61.30000112.6G288 L289G288-S291 VanDerWaalsContact O-CB 3.32Å; G288-S291 WeakPolarHBondContact O-CB 3.25Å; G288-S291 PolarHBondContact O-N 3.02Å; L289-S291 VanDerWaalsContact C-N 3.28Å; L289-S291 PolarHBondContact O-N 3.2Å
292V97.9Very high97.5Very high19 Ų1957.3 Ų57.312%0.11531%0.306CS..G310 helixtrans-115.47.2177.7-65.30000113.1I121 S123 P124 L289 E290 I294 V312 I315I121-V292 HydrophobicContact CG2-CG1 3.63Å; I121-V292 HydrophobicContact CG2-CG2 4.15Å; S123-V292 VanDerWaalsContact C-CG1 3.48Å; P124-V292 HydrophobicContact CG-CG1 4.39Å; L289-V292 CarbonylContact O-C 3.54Å; L289-V292 WeakPolarHBondContact O-CG2 3.37Å; L289-V292 PolarHBondContact O-N 2.65Å; E290-V292 PolarHBondContact O-N 2.96Å; V292-I294 VanDerWaalsContact C-N 3.34Å; V292-I294 HydrophobicContact CG2-CB 4.45Å; V292-I294 HydrophobicContact CG2-CD1 3.74Å; V292-I294 HydrophobicContact CG2-CG1 3.95Å; V292-I294 PolarHBondContact O-N 3.27Å; V292-V312 HydrophobicContact CB-CG2 4.33Å; V292-V312 VanDerWaalsContact O-CG2 3.3Å; V292-V312 WeakPolarHBondContact O-CG2 3.34Å; V292-I315 HydrophobicContact CB-CD1 4.19Å; V292-I315 HydrophobicContact CG1-CD1 4.25Å; V292-I315 HydrophobicContact CG2-CD1 3.86Å
293G97.5Very high97.5Very high51 Ų5159.5 Ų59.553%0.52632%0.32SS..THydrogen-bonded Turntrans73.617176.100000115.5L289 E290L289-G293 PolarHBondContact O-N 2.94Å; E290-G293 PolarHBondContact O-N 3.32Å
294I98.6Very high97.5Very high9 Ų959.7 Ų59.75%0.04633%0.326CS..PPolyproline II helixtrans-79.9120.6174.6-65.5169.1000108.6L289 V292 I302 T310 V312 I315L289-I294 HydrophobicContact CB-CB 4.21Å; L289-I294 HydrophobicContact CD2-CB 4.43Å; L289-I294 HydrophobicContact CD2-CG2 4.32Å; L289-I294 PolarHBondContact O-N 2.89Å; V292-I294 VanDerWaalsContact C-N 3.34Å; V292-I294 HydrophobicContact CG2-CB 4.45Å; V292-I294 HydrophobicContact CG2-CD1 3.74Å; V292-I294 HydrophobicContact CG2-CG1 3.95Å; V292-I294 PolarHBondContact O-N 3.27Å; I294-I302 HydrophobicContact CG2-CG2 4.01Å; I294-T310 HydrophobicContact CD1-CG2 4.1Å; I294-T310 WeakPolarHBondContact CD1-OG1 3.46Å; I294-V312 HydrophobicContact CD1-CB 4.37Å; I294-V312 HydrophobicContact CD1-CG2 4.09Å; I294-V312 HydrophobicContact CG1-CG2 3.79Å; I294-I315 HydrophobicContact CD1-CB 4.13Å; I294-I315 HydrophobicContact CD1-CD1 3.93Å; I294-I315 HydrophobicContact CD1-CG2 3.8Å
295K97.9Very high97.6Very high173 Ų17361.7 Ų61.775%0.75234%0.336SS*.PPolyproline II helixtrans-96.9136.8175.3-63.5-177.4-178.5179.30110P303K295-P303 WeakPolarHBondContact O-CD 3.47Å
296V98.3Very high97.7Very high64 Ų6466 Ų6639%0.38836%0.357SS..PPolyproline II helixtrans-80.7157168.8-62.50000110.9T284 L289 R301 I302T284-V296 HydrophobicContact CG2-CG1 4.18Å; L289-V296 HydrophobicContact CD1-CG1 3.75Å; V296-R301 CarbonylContact C-O 3.57Å; V296-R301 WeakPolarHBondContact CA-O 3.25Å; V296-R301 WeakPolarHBondContact CB-O 3.46Å; V296-I302 HydrophobicContact CG1-CG1 4.4Å
297D97.9Very high97.8Very high38 Ų3866.6 Ų66.620%0.20335%0.35CS..  trans-79.1-177.5174.476.49.4000113.1K299 G300 R301 P303D297-K299 PolarHBondContact O-N 3.06Å; D297-K299 VanDerWaalsContact O-N 3.12Å; D297-K299 WeakPolarHBondContact OD1-CA 3.46Å; D297-K299 PolarHBondContact OD1-N 3.18Å; D297-G300 PolarHBondContact O-N 2.98Å; D297-G300 PolarHBondContact OD1-N 2.95Å; D297-R301 PolarHBondContact N-O 3.12Å; D297-R301 PolarHBondContact OD1-N 2.98Å; D297-R301 IonicContact OD1-NE 3.53Å; D297-R301 PolarHBondContact OD1-NE 3.05Å; D297-R301 IonicContact OD1-NH2 3.59Å; D297-R301 IonicContact OD2-CZ 3.82Å; D297-R301 IonicContact OD2-NE 2.68Å; D297-R301 PolarHBondContact OD2-NE 3.48Å; D297-R301 IonicContact OD2-NH2 3.34Å; D297-R301 PolarHBondContact OD2-NH2 3.01Å; D297-P303 HydrophobicContact CB-CG 4.44Å
298E97.1Very high97.9Very high160 Ų16066.5 Ų66.575%0.74835%0.35SS*.THydrogen-bonded Turntrans-64.5-15.4-177.975.1-70.116600114.4R301E298-R301 IonicContact OE1-NH2 2.98Å
299K96.7Very high97.9Very high136 Ų13669 Ų6959%0.59136%0.361SS*.THydrogen-bonded Turntrans-103.47.7175.2-56-169.8-173.7178.90112.2D297 R301D297-K299 PolarHBondContact O-N 3.06Å; D297-K299 VanDerWaalsContact O-N 3.12Å; D297-K299 WeakPolarHBondContact OD1-CA 3.46Å; D297-K299 PolarHBondContact OD1-N 3.18Å; K299-R301 VanDerWaalsContact C-N 3.31Å; K299-R301 HydrophobicContact CB-CG 4.43Å
300G97.8Very high97.9Very high21 Ų2169.3 Ų69.322%0.21636%0.363CS..SBendtrans77.711.3179.800000114.5P282 T284 D297P282-G300 WeakPolarHBondContact CB-O 2.93Å; T284-G300 WeakPolarHBondContact CG2-O 3.24Å; D297-G300 PolarHBondContact O-N 2.98Å; D297-G300 PolarHBondContact OD1-N 2.95Å
301R98.7Very high98Very high39 Ų3967.2 Ų67.215%0.14736%0.364CS..PPolyproline II helixtrans-82.2153.3179.1-58.6166.9-66.4-177.75.5110.4P282 V296 D297 E298 K299 P303 C321P282-R301 HydrophobicContact CB-CG 4.5Å; P282-R301 HydrophobicContact CG-CB 4.17Å; P282-R301 HydrophobicContact CG-CG 3.37Å; V296-R301 CarbonylContact C-O 3.57Å; V296-R301 WeakPolarHBondContact CA-O 3.25Å; V296-R301 WeakPolarHBondContact CB-O 3.46Å; D297-R301 PolarHBondContact N-O 3.12Å; D297-R301 PolarHBondContact OD1-N 2.98Å; D297-R301 IonicContact OD1-NE 3.53Å; D297-R301 PolarHBondContact OD1-NE 3.05Å; D297-R301 IonicContact OD1-NH2 3.59Å; D297-R301 IonicContact OD2-CZ 3.82Å; D297-R301 IonicContact OD2-NE 2.68Å; D297-R301 PolarHBondContact OD2-NE 3.48Å; D297-R301 IonicContact OD2-NH2 3.34Å; D297-R301 PolarHBondContact OD2-NH2 3.01Å; E298-R301 IonicContact OE1-NH2 2.98Å; K299-R301 VanDerWaalsContact C-N 3.31Å; K299-R301 HydrophobicContact CB-CG 4.43Å; R301-P303 WeakPolarHBondContact O-CD 3.11Å; R301-C321 CarbonylContact C-O 3.49Å; R301-C321 VanDerWaalsContact CA-O 3.28Å; R301-C321 WeakPolarHBondContact CA-O 3.39Å
302I98.8Very high98.1Very high1 Ų164.6 Ų64.61%0.00535%0.345CS..PPolyproline II helixtrans-83.3117.3172.7-59.3170.5000108.3I146 T284 L289 I294 V296 V304 T310 A317 C321 I322I146-I302 HydrophobicContact CB-CD1 4.28Å; I146-I302 HydrophobicContact CD1-CD1 3.88Å; I146-I302 HydrophobicContact CG2-CD1 3.72Å; T284-I302 HydrophobicContact CG2-CD1 4.06Å; T284-I302 HydrophobicContact CG2-CG1 3.87Å; L289-I302 HydrophobicContact CD1-CD1 4.17Å; L289-I302 HydrophobicContact CD1-CG1 4.07Å; L289-I302 HydrophobicContact CD2-CD1 4.29Å; I294-I302 HydrophobicContact CG2-CG2 4.01Å; V296-I302 HydrophobicContact CG1-CG1 4.4Å; I302-V304 HydrophobicContact CG2-CG1 4.46Å; I302-T310 HydrophobicContact CG2-CG2 3.65Å; I302-A317 HydrophobicContact CB-CB 4.03Å; I302-A317 HydrophobicContact CD1-CB 4.07Å; I302-A317 HydrophobicContact CG2-CB 3.8Å; I302-C321 PolarHBondContact N-O 3.39Å; I302-I322 HydrophobicContact CB-CG2 4.32Å; I302-I322 WeakPolarHBondContact O-CG2 3.23Å
303P98.7Very high98.1Very high65 Ų6568.6 Ų68.642%0.42237%0.371SS..PPolyproline II helixtrans-66.5135.2175.3-19.133.1000110.7K295 D297 R301K295-P303 WeakPolarHBondContact O-CD 3.47Å; D297-P303 HydrophobicContact CB-CG 4.44Å; R301-P303 WeakPolarHBondContact O-CD 3.11Å
304V98.8Very high98.1Very high50 Ų5067 Ų6730%0.30335%0.352SS..  trans-136.4157.9177.4-64.10000111.2I302 F308 Q309 T310 A317 I322I302-V304 HydrophobicContact CG2-CG1 4.46Å; V304-F308 WeakPolarHBondContact CG1-O 3.43Å; V304-Q309 CarbonylContact C-O 3.52Å; V304-Q309 WeakPolarHBondContact CA-O 3.48Å; V304-T310 HydrophobicContact CG1-CG2 4.23Å; V304-A317 HydrophobicContact CG1-CB 3.87Å; V304-I322 HydrophobicContact CG1-CG2 4.03Å; V304-I322 HydrophobicContact CG2-CB 4.32Å; V304-I322 HydrophobicContact CG2-CD1 3.87Å; V304-I322 HydrophobicContact CG2-CG2 4.3Å
305N98Very high98.2Very high72 Ų7266.6 Ų66.639%0.38535%0.35SS..  trans-85.7-176.4168.271.810.7000111.8R307 F308 Q309N305-R307 PolarHBondContact O-N 3.06Å; N305-R307 WeakPolarHBondContact OD1-CA 3.45Å; N305-R307 WeakPolarHBondContact OD1-CB 3.48Å; N305-R307 PolarHBondContact OD1-N 3.4Å; N305-F308 WeakPolarHBondContact O-CA 3.37Å; N305-F308 PolarHBondContact O-N 3.18Å; N305-F308 PolarHBondContact OD1-N 3.47Å; N305-Q309 PolarHBondContact N-O 3.27Å; N305-Q309 PolarHBondContact ND2-OE1 3.41Å; N305-Q309 VanDerWaalsContact ND2-OE1 3.11Å; N305-Q309 WeakPolarHBondContact OD1-CB 3.36Å; N305-Q309 PolarHBondContact OD1-N 3.32Å
306D96.8Very high98.2Very high153 Ų15358.6 Ų58.682%0.81832%0.315SS*.THydrogen-bonded Turntrans-65.2-7.3-179.4-55.8-25.1000114.6V347D306-V347 WeakPolarHBondContact O-CG1 3.05Å
307R98.1Very high98.2Very high125 Ų12555.6 Ų55.647%0.47230%0.297SS..THydrogen-bonded Turntrans-105.615.3171.8-64.3-172.8175-143.7-1.8112.6N305 Q309 F316 V347N305-R307 PolarHBondContact O-N 3.06Å; N305-R307 WeakPolarHBondContact OD1-CA 3.45Å; N305-R307 WeakPolarHBondContact OD1-CB 3.48Å; N305-R307 PolarHBondContact OD1-N 3.4Å; R307-Q309 HydrophobicContact CB-CG 4.29Å; R307-Q309 PolarHBondContact O-N 3.08Å; R307-F316 WeakPolarHBondContact O-CD1 3.25Å; R307-V347 HydrophobicContact CG-CB 4.43Å; R307-V347 HydrophobicContact CG-CG2 4.26Å
308F98.8Very high98.3Very high4 Ų453.8 Ų53.82%0.01829%0.287CS..SBendtrans62.816-177.2-49.1-72.8000114.3V304 N305 F316 A317 I318 I322 E334 L337 C338 V347 I349V304-F308 WeakPolarHBondContact CG1-O 3.43Å; N305-F308 WeakPolarHBondContact O-CA 3.37Å; N305-F308 PolarHBondContact O-N 3.18Å; N305-F308 PolarHBondContact OD1-N 3.47Å; F308-F316 CarbonylContact O-C 3.51Å; F308-F316 WeakPolarHBondContact O-CA 3.23Å; F308-F316 WeakPolarHBondContact O-CB 3.36Å; F308-A317 PolarHBondContact O-N 2.91Å; F308-I318 HydrophobicContact CB-CG2 4.03Å; F308-I318 HydrophobicContact CD1-CG2 4.16Å; F308-I318 HydrophobicContact CG-CG2 4.01Å; F308-I322 HydrophobicContact CD1-CD1 4.01Å; F308-I322 HydrophobicContact CE1-CD1 4.39Å; F308-E334 HydrophobicContact CD1-CB 4.47Å; F308-E334 HydrophobicContact CD1-CG 4.4Å; F308-E334 HydrophobicContact CE1-CB 3.91Å; F308-E334 HydrophobicContact CE1-CG 3.5Å; F308-E334 HydrophobicContact CZ-CB 3.95Å; F308-E334 HydrophobicContact CZ-CG 3.68Å; F308-L337 HydrophobicContact CE2-CB 4.01Å; F308-C338 HydrophobicContact CB-CB 4.21Å; F308-C338 HydrophobicContact CD2-CB 3.64Å; F308-C338 HydrophobicContact CE2-CB 4.4Å; F308-C338 HydrophobicContact CG-CB 4.19Å; F308-V347 HydrophobicContact CD2-CG1 4.08Å; F308-V347 HydrophobicContact CE2-CG1 3.55Å; F308-V347 HydrophobicContact CZ-CG1 4.44Å; F308-I349 HydrophobicContact CZ-CG2 4.19Å
309Q98.7Very high98.4Very high53 Ų5346.3 Ų46.325%0.24825%0.253CS..BIsolated β-bridgetrans-82.1136.4179.2-67.3169.8-29.600110.8V304 N305 R307 F316V304-Q309 CarbonylContact C-O 3.52Å; V304-Q309 WeakPolarHBondContact CA-O 3.48Å; N305-Q309 PolarHBondContact N-O 3.27Å; N305-Q309 PolarHBondContact ND2-OE1 3.41Å; N305-Q309 VanDerWaalsContact ND2-OE1 3.11Å; N305-Q309 WeakPolarHBondContact OD1-CB 3.36Å; N305-Q309 PolarHBondContact OD1-N 3.32Å; R307-Q309 HydrophobicContact CB-CG 4.29Å; R307-Q309 PolarHBondContact O-N 3.08Å; Q309-F316 HydrophobicContact CB-CD1 4.33Å; Q309-F316 HydrophobicContact CB-CE1 4.33Å; Q309-F316 HydrophobicContact CG-CD1 3.49Å; Q309-F316 VanDerWaalsContact CG-CD1 3.49Å; Q309-F316 HydrophobicContact CG-CE1 3.09Å; Q309-F316 HydrophobicContact CG-CG 4.38Å; Q309-F316 HydrophobicContact CG-CZ 3.67Å
310T98.8Very high98.5Very high14 Ų1441 Ų419%0.08623%0.231CC..  trans-77.1-172.5171.5720000111.2I294 I302 V304 V312 I315 A317I294-T310 HydrophobicContact CD1-CG2 4.1Å; I294-T310 WeakPolarHBondContact CD1-OG1 3.46Å; I302-T310 HydrophobicContact CG2-CG2 3.65Å; V304-T310 HydrophobicContact CG1-CG2 4.23Å; T310-V312 PolarHBondContact O-N 3.47Å; T310-V312 PolarHBondContact OG1-N 3.32Å; T310-V312 VanDerWaalsContact OG1-N 3.12Å; T310-V312 PolarHBondContact OG1-O 2.92Å; T310-I315 WeakPolarHBondContact CB-O 3.27Å; T310-I315 HydrophobicContact CG2-CG2 4.09Å; T310-I315 WeakPolarHBondContact CG2-O 3.47Å; T310-I315 PolarHBondContact N-O 3.17Å; T310-I315 PolarHBondContact OG1-O 3.4Å; T310-A317 HydrophobicContact CG2-CB 4.27Å
311S98.3Very high98.5Very high92 Ų9240 Ų4064%0.64322%0.221SC*.SBendtrans-63.3-13.617057.90000114.1
312V98.5Very high98.5Very high18 Ų1838.5 Ų38.511%0.10922%0.216CC..SBendtrans-104.5117.3174.7-178.60000108.5P124 V292 I294 T310 S314 I315P124-V312 HydrophobicContact CB-CG1 3.86Å; P124-V312 HydrophobicContact CG-CG1 4.23Å; V292-V312 HydrophobicContact CB-CG2 4.33Å; V292-V312 VanDerWaalsContact O-CG2 3.3Å; V292-V312 WeakPolarHBondContact O-CG2 3.34Å; I294-V312 HydrophobicContact CD1-CB 4.37Å; I294-V312 HydrophobicContact CD1-CG2 4.09Å; I294-V312 HydrophobicContact CG1-CG2 3.79Å; T310-V312 PolarHBondContact O-N 3.47Å; T310-V312 PolarHBondContact OG1-N 3.32Å; T310-V312 VanDerWaalsContact OG1-N 3.12Å; T310-V312 PolarHBondContact OG1-O 2.92Å; V312-S314 PolarHBondContact O-N 2.9Å; V312-I315 HydrophobicContact CB-CB 4.17Å; V312-I315 HydrophobicContact CB-CD1 4Å; V312-I315 HydrophobicContact CB-CG1 4.07Å; V312-I315 HydrophobicContact CG1-CB 4.42Å; V312-I315 HydrophobicContact CG1-CD1 3.83Å; V312-I315 HydrophobicContact CG1-CG1 3.83Å; V312-I315 HydrophobicContact CG2-CD1 4.44Å; V312-I315 PolarHBondContact O-N 3.47Å; V312-I315 VanDerWaalsContact O-O 3.11Å
313P97.8Very high98.5Very high103 Ų10344.8 Ų44.867%0.66925%0.245SC*.THydrogen-bonded Turntrans-59.5-25.5-169.2-2935.6000116.6
314S98.1Very high98.4Very high18 Ų1843.4 Ų43.413%0.12624%0.242CC..THydrogen-bonded Turntrans-88.6-3.9177.354.20000113.8P124 K142 N143 I144 V312P124-S314 PolarHBondContact O-OG 2.86Å; K142-S314 WeakPolarHBondContact O-CB 3.22Å; N143-S314 CarbonylContact C-O 3.59Å; N143-S314 VanDerWaalsContact CA-O 3.31Å; N143-S314 WeakPolarHBondContact CA-O 3.24Å; I144-S314 PolarHBondContact N-O 2.93Å; V312-S314 PolarHBondContact O-N 2.9Å
315I98.8Very high98.3Very high0 Ų043.2 Ų43.20%024%0.242CC..EExtended strand (participates in β ladder)trans-117.1127.7-175.5-53.4-178.7000109.7I121 I144 I146 V292 I294 T310 V312I121-I315 HydrophobicContact CD1-CG2 4.43Å; I121-I315 HydrophobicContact CG2-CD1 3.99Å; I144-I315 HydrophobicContact CB-CG1 4.22Å; I144-I315 HydrophobicContact CB-CG2 4.41Å; I144-I315 HydrophobicContact CD1-CD1 4.39Å; I144-I315 HydrophobicContact CD1-CG1 4.3Å; I144-I315 CarbonylContact O-C 3.59Å; I144-I315 WeakPolarHBondContact O-CA 3.44Å; I146-I315 HydrophobicContact CD1-CG2 3.69Å; I146-I315 HydrophobicContact CG1-CG2 4.16Å; V292-I315 HydrophobicContact CB-CD1 4.19Å; V292-I315 HydrophobicContact CG1-CD1 4.25Å; V292-I315 HydrophobicContact CG2-CD1 3.86Å; I294-I315 HydrophobicContact CD1-CB 4.13Å; I294-I315 HydrophobicContact CD1-CD1 3.93Å; I294-I315 HydrophobicContact CD1-CG2 3.8Å; T310-I315 WeakPolarHBondContact CB-O 3.27Å; T310-I315 HydrophobicContact CG2-CG2 4.09Å; T310-I315 WeakPolarHBondContact CG2-O 3.47Å; T310-I315 PolarHBondContact N-O 3.17Å; T310-I315 PolarHBondContact OG1-O 3.4Å; V312-I315 HydrophobicContact CB-CB 4.17Å; V312-I315 HydrophobicContact CB-CD1 4Å; V312-I315 HydrophobicContact CB-CG1 4.07Å; V312-I315 HydrophobicContact CG1-CB 4.42Å; V312-I315 HydrophobicContact CG1-CD1 3.83Å; V312-I315 HydrophobicContact CG1-CG1 3.83Å; V312-I315 HydrophobicContact CG2-CD1 4.44Å; V312-I315 PolarHBondContact O-N 3.47Å; V312-I315 VanDerWaalsContact O-O 3.11Å
316F98.9Very high98.4Very high5 Ų543.2 Ų43.22%0.02224%0.241CC..EExtended strand (participates in β ladder)trans-120.1159-177.6-59.3-107.4000109.8N143 I144 L145 I146 R307 F308 Q309 C338 I342N143-F316 HydrophobicContact CB-CE2 4.43Å; I144-F316 PolarHBondContact O-N 3.01Å; L145-F316 HydrophobicContact CD1-CB 3.72Å; I146-F316 WeakPolarHBondContact CB-O 3.33Å; I146-F316 PolarHBondContact N-O 3.33Å; R307-F316 WeakPolarHBondContact O-CD1 3.25Å; F308-F316 CarbonylContact O-C 3.51Å; F308-F316 WeakPolarHBondContact O-CA 3.23Å; F308-F316 WeakPolarHBondContact O-CB 3.36Å; Q309-F316 HydrophobicContact CB-CD1 4.33Å; Q309-F316 HydrophobicContact CB-CE1 4.33Å; Q309-F316 HydrophobicContact CG-CD1 3.49Å; Q309-F316 VanDerWaalsContact CG-CD1 3.49Å; Q309-F316 HydrophobicContact CG-CE1 3.09Å; Q309-F316 HydrophobicContact CG-CG 4.38Å; Q309-F316 HydrophobicContact CG-CZ 3.67Å; F316-C338 VanDerWaalsContact CD1-SG 3.52Å; F316-I342 HydrophobicContact CD1-CD1 4.22Å; F316-I342 HydrophobicContact CD1-CG1 4.2Å; F316-I342 HydrophobicContact CD2-CD1 3.88Å; F316-I342 HydrophobicContact CD2-CG1 4.3Å; F316-I342 HydrophobicContact CE1-CD1 4.1Å; F316-I342 HydrophobicContact CE1-CG1 3.6Å; F316-I342 HydrophobicContact CE2-CD1 3.81Å; F316-I342 HydrophobicContact CE2-CG1 3.79Å; F316-I342 HydrophobicContact CG-CD1 4.12Å; F316-I342 HydrophobicContact CZ-CD1 3.94Å; F316-I342 HydrophobicContact CZ-CG1 3.41Å; F316-I342 VanDerWaalsContact CZ-CG1 3.41Å
317A99Very high98.4Very high0 Ų038 Ų380%021%0.213CC..EExtended strand (participates in β ladder)trans-144.8142.1174.200000111.8I146 I302 V304 F308 T310 I322I146-A317 HydrophobicContact CB-CB 4.03Å; I146-A317 VanDerWaalsContact O-CA 3.29Å; I146-A317 WeakPolarHBondContact O-CA 3.48Å; I302-A317 HydrophobicContact CB-CB 4.03Å; I302-A317 HydrophobicContact CD1-CB 4.07Å; I302-A317 HydrophobicContact CG2-CB 3.8Å; V304-A317 HydrophobicContact CG1-CB 3.87Å; F308-A317 PolarHBondContact O-N 2.91Å; T310-A317 HydrophobicContact CG2-CB 4.27Å; A317-I322 HydrophobicContact CB-CG2 3.52Å
318I99Very high98.5Very high1 Ų133.3 Ų33.31%0.00520%0.2CC..  trans-142.1166.2-175.160.7169.9000112.4A22 L145 I146 A147 F308 C321 E334 G335 C338A22-I318 HydrophobicContact CB-CD1 4.24Å; L145-I318 HydrophobicContact CD1-CB 4.45Å; L145-I318 HydrophobicContact CD1-CD1 4.13Å; L145-I318 HydrophobicContact CD1-CG1 3.93Å; L145-I318 HydrophobicContact CD1-CG2 3.89Å; L145-I318 HydrophobicContact CD2-CD1 3.98Å; L145-I318 HydrophobicContact CG-CD1 4.25Å; L145-I318 HydrophobicContact CG-CG1 4.37Å; I146-I318 PolarHBondContact O-N 3.03Å; A147-I318 HydrophobicContact CB-CD1 4.16Å; A147-I318 HydrophobicContact CB-CG1 3.93Å; F308-I318 HydrophobicContact CB-CG2 4.03Å; F308-I318 HydrophobicContact CD1-CG2 4.16Å; F308-I318 HydrophobicContact CG-CG2 4.01Å; I318-C321 PolarHBondContact O-SG 3.43Å; I318-E334 HydrophobicContact CB-CB 3.99Å; I318-E334 HydrophobicContact CG2-CB 3.95Å; I318-G335 VanDerWaalsContact CD1-CA 3.42Å; I318-C338 HydrophobicContact CG2-CB 3.97Å
319G98.8Very high98.4Very high3 Ų336 Ų363%0.03121%0.213CC..G310 helixtrans73.9-139.5171.900000113C321 I322 K330 E334G319-C321 PolarHBondContact O-N 2.72Å; G319-I322 VanDerWaalsContact O-CG1 3.27Å; G319-I322 WeakPolarHBondContact O-CG1 3.35Å; G319-I322 PolarHBondContact O-N 2.73Å; G319-K330 PolarHBondContact O-NZ 3Å; G319-E334 WeakPolarHBondContact CA-OE2 3.17Å; G319-E334 PolarHBondContact N-OE2 3.36Å
320D98.8Very high98.4Very high25 Ų2533.5 Ų33.513%0.13420%0.201CC..G310 helixtrans-71.1-13.2-171.5-85.321.6000114.5S150 M326S150-D320 WeakPolarHBondContact CB-OD2 3.32Å; S150-D320 PolarHBondContact OG-OD2 2.84Å; D320-M326 HydrophobicContact CB-CE 3.86Å; D320-M326 VanDerWaalsContact OD1-CA 3.25Å; D320-M326 WeakPolarHBondContact OD1-CA 3.35Å; D320-M326 WeakPolarHBondContact OD1-CB 3.44Å
321C98.8Very high98.4Very high0 Ų033.2 Ų33.20%020%0.2CC..G310 helixtrans-88.3-3.7178.567.60000113.7R301 I302 I318 G319R301-C321 CarbonylContact C-O 3.49Å; R301-C321 VanDerWaalsContact CA-O 3.28Å; R301-C321 WeakPolarHBondContact CA-O 3.39Å; I302-C321 PolarHBondContact N-O 3.39Å; I318-C321 PolarHBondContact O-SG 3.43Å; G319-C321 PolarHBondContact O-N 2.72Å
322I98.7Very high98.5Very high6 Ų631.5 Ų31.53%0.03118%0.182CC..SBendtrans-116.5-175.5176.767.8160.5000111.5I302 V304 F308 A317 G319I302-I322 HydrophobicContact CB-CG2 4.32Å; I302-I322 WeakPolarHBondContact O-CG2 3.23Å; V304-I322 HydrophobicContact CG1-CG2 4.03Å; V304-I322 HydrophobicContact CG2-CB 4.32Å; V304-I322 HydrophobicContact CG2-CD1 3.87Å; V304-I322 HydrophobicContact CG2-CG2 4.3Å; F308-I322 HydrophobicContact CD1-CD1 4.01Å; F308-I322 HydrophobicContact CE1-CD1 4.39Å; A317-I322 HydrophobicContact CB-CG2 3.52Å; G319-I322 VanDerWaalsContact O-CG1 3.27Å; G319-I322 WeakPolarHBondContact O-CG1 3.35Å; G319-I322 PolarHBondContact O-N 2.73Å
323Q97.9Very high98.5Very high134 Ų13434.3 Ų34.363%0.62620%0.196SC*.SBendtrans-68.8155.4173.9-178.5171.67.600112.3K330Q323-K330 PolarHBondContact O-NZ 3.2Å
324G97.2Very high98.5Very high35 Ų3529.4 Ų29.436%0.36116%0.164SC..SBendtrans117.4-176.8174.200000113M326G324-M326 PolarHBondContact O-N 3.39Å
325P97.4Very high98.5Very high46 Ų4628.5 Ų28.530%0.29916%0.158SC..  trans-60.6132.5173.8-21.333.2000111.3L327 K330P325-L327 VanDerWaalsContact C-N 3.28Å; P325-L327 HydrophobicContact CB-CD1 3.79Å; P325-L327 HydrophobicContact CB-CG 3.99Å; P325-L327 PolarHBondContact O-N 3.45Å; P325-K330 VanDerWaalsContact O-CD 3.25Å; P325-K330 WeakPolarHBondContact O-CD 3.44Å; P325-K330 VanDerWaalsContact O-CE 3.25Å; P325-K330 WeakPolarHBondContact O-CE 3.49Å; P325-K330 WeakPolarHBondContact O-CG 3.47Å
326M98.4Very high98.6Very high72 Ų7230.8 Ų30.836%0.35517%0.17SC..  trans-84.671.7176.6-64.1178.278.800110.2R280 D320 G324R280-M326 HydrophobicContact CB-CE 3.64Å; R280-M326 HydrophobicContact CB-SD 4.2Å; D320-M326 HydrophobicContact CB-CE 3.86Å; D320-M326 VanDerWaalsContact OD1-CA 3.25Å; D320-M326 WeakPolarHBondContact OD1-CA 3.35Å; D320-M326 WeakPolarHBondContact OD1-CB 3.44Å; G324-M326 PolarHBondContact O-N 3.39Å
327L98.5Very high98.5Very high44 Ų4432 Ų3223%0.2318%0.177CC..  trans-126147.2-173.9-63.1174.5000110.6P325 K330 A331 I354 P355P325-L327 VanDerWaalsContact C-N 3.28Å; P325-L327 HydrophobicContact CB-CD1 3.79Å; P325-L327 HydrophobicContact CB-CG 3.99Å; P325-L327 PolarHBondContact O-N 3.45Å; L327-K330 HydrophobicContact CB-CB 4.04Å; L327-K330 WeakPolarHBondContact O-CB 3.5Å; L327-K330 PolarHBondContact O-N 3.36Å; L327-A331 PolarHBondContact O-N 2.93Å; L327-A331 VanDerWaalsContact O-N 3.11Å; L327-I354 HydrophobicContact CD1-CG2 3.97Å; L327-P355 WeakPolarHBondContact CD1-O 3.39Å
328A98.5Very high98.5Very high26 Ų2632 Ų3222%0.21518%0.177CC..Hα-helixtrans-62.4-51.8-176.100000112P17 C46 K330 A331 E332P17-A328 HydrophobicContact CB-CB 4.11Å; P17-A328 HydrophobicContact CG-CB 3.89Å; C46-A328 HydrophobicContact CB-CB 4.41Å; A328-K330 VanDerWaalsContact C-N 3.33Å; A328-K330 PolarHBondContact O-N 2.87Å; A328-A331 WeakPolarHBondContact O-CA 3.39Å; A328-A331 WeakPolarHBondContact O-CB 3.39Å; A328-A331 PolarHBondContact O-N 2.76Å; A328-E332 WeakPolarHBondContact O-CG 3.03Å; A328-E332 PolarHBondContact O-N 3.35Å
329H98.1Very high98.5Very high61 Ų6132 Ų3228%0.28218%0.176SC..Hα-helixtrans-63.8-35.4179.250.3-73000112.8A331 E332 D333 P355H329-A331 VanDerWaalsContact C-N 3.32Å; H329-A331 PolarHBondContact O-N 3.2Å; H329-E332 PolarHBondContact O-N 3.11Å; H329-D333 PolarHBondContact O-N 2.95Å; H329-P355 PolarHBondContact CE1-O 3.27Å; H329-P355 PolarHBondContact NE2-O 2.89Å
330K98.6Very high98.5Very high1 Ų134.5 Ų34.50%0.00419%0.187CC..Hα-helixtrans-55.6-48.2169177.5-85.2-158.2-165.60110.9G319 Q323 P325 L327 A328 E334 Y351 I354G319-K330 PolarHBondContact O-NZ 3Å; Q323-K330 PolarHBondContact O-NZ 3.2Å; P325-K330 VanDerWaalsContact O-CD 3.25Å; P325-K330 WeakPolarHBondContact O-CD 3.44Å; P325-K330 VanDerWaalsContact O-CE 3.25Å; P325-K330 WeakPolarHBondContact O-CE 3.49Å; P325-K330 WeakPolarHBondContact O-CG 3.47Å; L327-K330 HydrophobicContact CB-CB 4.04Å; L327-K330 WeakPolarHBondContact O-CB 3.5Å; L327-K330 PolarHBondContact O-N 3.36Å; A328-K330 VanDerWaalsContact C-N 3.33Å; A328-K330 PolarHBondContact O-N 2.87Å; K330-E334 VanDerWaalsContact CD-CD 3.47Å; K330-E334 HydrophobicContact CD-CG 4.28Å; K330-E334 WeakPolarHBondContact CD-OE1 3.5Å; K330-E334 WeakPolarHBondContact CD-OE2 3.34Å; K330-E334 WeakPolarHBondContact CE-OE1 3.42Å; K330-E334 WeakPolarHBondContact CE-OE2 3.38Å; K330-E334 IonicContact NZ-OE1 3.07Å; K330-E334 PolarHBondContact NZ-OE1 2.93Å; K330-E334 IonicContact NZ-OE2 3.67Å; K330-E334 PolarHBondContact NZ-OE2 2.84Å; K330-E334 WeakPolarHBondContact O-CB 3.46Å; K330-E334 VanDerWaalsContact O-CG 3.24Å; K330-E334 WeakPolarHBondContact O-CG 3.45Å; K330-E334 PolarHBondContact O-N 2.84Å; K330-Y351 HydrophobicContact CG-CE1 4.3Å; K330-I354 HydrophobicContact CB-CD1 3.88Å; K330-I354 HydrophobicContact CB-CG2 4.24Å; K330-I354 HydrophobicContact CG-CD1 3.63Å
331A98.9Very high98.5Very high7 Ų733.9 Ų33.96%0.05819%0.187CC..Hα-helixtrans-66.3-37.617900000112.4G18 L327 A328 H329 G335G18-A331 VanDerWaalsContact CA-C 3.42Å; G18-A331 WeakPolarHBondContact CA-O 3.05Å; L327-A331 PolarHBondContact O-N 2.93Å; L327-A331 VanDerWaalsContact O-N 3.11Å; A328-A331 WeakPolarHBondContact O-CA 3.39Å; A328-A331 WeakPolarHBondContact O-CB 3.39Å; A328-A331 PolarHBondContact O-N 2.76Å; H329-A331 VanDerWaalsContact C-N 3.32Å; H329-A331 PolarHBondContact O-N 3.2Å; A331-G335 PolarHBondContact O-N 2.96Å
332E98.9Very high98.5Very high57 Ų5735.6 Ų35.627%0.26620%0.196SC..Hα-helixtrans-61.2-50.4176.5-67.4176.5170.400111.4P17 Y20 V21 A328 H329 G335 I336P17-E332 HydrophobicContact CB-CG 3.63Å; Y20-E332 PolarHBondContact OH-OE1 2.74Å; V21-E332 HydrophobicContact CB-CG 4.43Å; V21-E332 HydrophobicContact CG1-CB 4.44Å; V21-E332 HydrophobicContact CG2-CB 4.33Å; V21-E332 HydrophobicContact CG2-CG 3.85Å; A328-E332 WeakPolarHBondContact O-CG 3.03Å; A328-E332 PolarHBondContact O-N 3.35Å; H329-E332 PolarHBondContact O-N 3.11Å; E332-G335 WeakPolarHBondContact O-CA 3.37Å; E332-G335 PolarHBondContact O-N 2.84Å; E332-G335 VanDerWaalsContact O-N 3.12Å; E332-I336 WeakPolarHBondContact O-CG1 3.39Å; E332-I336 PolarHBondContact O-N 3.26Å
333D98.7Very high98.5Very high76 Ų7639.6 Ų39.641%0.40622%0.217SC..Hα-helixtrans-64.6-44.8179.6-75.8-20.8000112H329 G335 I336 L337 I349H329-D333 PolarHBondContact O-N 2.95Å; D333-G335 PolarHBondContact O-N 3.49Å; D333-I336 PolarHBondContact O-N 3.45Å; D333-L337 WeakPolarHBondContact O-CB 3.47Å; D333-L337 VanDerWaalsContact O-CG 3.23Å; D333-L337 WeakPolarHBondContact O-CG 3.43Å; D333-L337 PolarHBondContact O-N 3.04Å; D333-I349 HydrophobicContact CB-CD1 4.18Å
334E98.9Very high98.4Very high0 Ų036.4 Ų36.40%022%0.22CC..Hα-helixtrans-57.6-37.8173.1-71.6-177.3160.700111.8F308 I318 G319 K330 C338 I349 Y351F308-E334 HydrophobicContact CD1-CB 4.47Å; F308-E334 HydrophobicContact CD1-CG 4.4Å; F308-E334 HydrophobicContact CE1-CB 3.91Å; F308-E334 HydrophobicContact CE1-CG 3.5Å; F308-E334 HydrophobicContact CZ-CB 3.95Å; F308-E334 HydrophobicContact CZ-CG 3.68Å; I318-E334 HydrophobicContact CB-CB 3.99Å; I318-E334 HydrophobicContact CG2-CB 3.95Å; G319-E334 WeakPolarHBondContact CA-OE2 3.17Å; G319-E334 PolarHBondContact N-OE2 3.36Å; K330-E334 VanDerWaalsContact CD-CD 3.47Å; K330-E334 HydrophobicContact CD-CG 4.28Å; K330-E334 WeakPolarHBondContact CD-OE1 3.5Å; K330-E334 WeakPolarHBondContact CD-OE2 3.34Å; K330-E334 WeakPolarHBondContact CE-OE1 3.42Å; K330-E334 WeakPolarHBondContact CE-OE2 3.38Å; K330-E334 IonicContact NZ-OE1 3.07Å; K330-E334 PolarHBondContact NZ-OE1 2.93Å; K330-E334 IonicContact NZ-OE2 3.67Å; K330-E334 PolarHBondContact NZ-OE2 2.84Å; K330-E334 WeakPolarHBondContact O-CB 3.46Å; K330-E334 VanDerWaalsContact O-CG 3.24Å; K330-E334 WeakPolarHBondContact O-CG 3.45Å; K330-E334 PolarHBondContact O-N 2.84Å; E334-C338 WeakPolarHBondContact O-CB 3.4Å; E334-C338 PolarHBondContact O-N 2.53Å; E334-I349 HydrophobicContact CG-CD1 3.95Å; E334-Y351 WeakPolarHBondContact OE1-CE1 3.21Å; E334-Y351 PolarHBondContact OE1-OH 2.91Å
335G98.9Very high98.5Very high0 Ų035.8 Ų35.80%021%0.214CC..Hα-helixtrans-62.1-4817500000113.3I318 A331 E332 D333 V339I318-G335 VanDerWaalsContact CD1-CA 3.42Å; A331-G335 PolarHBondContact O-N 2.96Å; E332-G335 WeakPolarHBondContact O-CA 3.37Å; E332-G335 PolarHBondContact O-N 2.84Å; E332-G335 VanDerWaalsContact O-N 3.12Å; D333-G335 PolarHBondContact O-N 3.49Å; G335-V339 WeakPolarHBondContact O-CG2 3.27Å; G335-V339 PolarHBondContact O-N 2.87Å
336I98.9Very high98.5Very high48 Ų4839.2 Ų39.225%0.24624%0.236CC..Hα-helixtrans-61.4-52.2177.3-66.7169.1000110.3V21 K25 E332 D333 C338 V339 E340V21-I336 HydrophobicContact CG1-CD1 3.91Å; V21-I336 HydrophobicContact CG1-CG1 3.6Å; K25-I336 HydrophobicContact CD-CG2 4.37Å; K25-I336 HydrophobicContact CG-CG2 4.27Å; E332-I336 WeakPolarHBondContact O-CG1 3.39Å; E332-I336 PolarHBondContact O-N 3.26Å; D333-I336 PolarHBondContact O-N 3.45Å; I336-C338 PolarHBondContact O-N 3.06Å; I336-V339 VanDerWaalsContact O-CG2 3.27Å; I336-V339 WeakPolarHBondContact O-CG2 3.28Å; I336-V339 PolarHBondContact O-N 2.76Å; I336-E340 WeakPolarHBondContact O-CG 3.12Å; I336-E340 PolarHBondContact O-N 2.7Å
337L98.8Very high98.5Very high30 Ų3037.2 Ų37.216%0.15723%0.228CC..Hα-helixtrans-66.3-38.6-175.2-67.9169000112F308 D333 E340 G341 V347 H348 I349F308-L337 HydrophobicContact CE2-CB 4.01Å; D333-L337 WeakPolarHBondContact O-CB 3.47Å; D333-L337 VanDerWaalsContact O-CG 3.23Å; D333-L337 WeakPolarHBondContact O-CG 3.43Å; D333-L337 PolarHBondContact O-N 3.04Å; L337-E340 PolarHBondContact O-N 2.83Å; L337-G341 PolarHBondContact O-N 3.26Å; L337-V347 HydrophobicContact CB-CG1 4.16Å; L337-H348 WeakPolarHBondContact CD1-O 3.35Å; L337-I349 HydrophobicContact CD1-CB 3.76Å; L337-I349 HydrophobicContact CD1-CD1 4.39Å; L337-I349 HydrophobicContact CD1-CG1 4.35Å
338C98.9Very high98.4Very high0 Ų041.9 Ų41.90%025%0.248CC..Hα-helixtrans-59.7-48.2175.8-178.70000111.4F308 F316 I318 E334 I336 G341 I342F308-C338 HydrophobicContact CB-CB 4.21Å; F308-C338 HydrophobicContact CD2-CB 3.64Å; F308-C338 HydrophobicContact CE2-CB 4.4Å; F308-C338 HydrophobicContact CG-CB 4.19Å; F316-C338 VanDerWaalsContact CD1-SG 3.52Å; I318-C338 HydrophobicContact CG2-CB 3.97Å; E334-C338 WeakPolarHBondContact O-CB 3.4Å; E334-C338 PolarHBondContact O-N 2.53Å; I336-C338 PolarHBondContact O-N 3.06Å; C338-G341 PolarHBondContact O-N 3.36Å; C338-I342 WeakPolarHBondContact O-CG1 3.44Å; C338-I342 PolarHBondContact O-N 3.04Å
339V98.8Very high98.4Very high0 Ų042.3 Ų42.30%025%0.246CC..Hα-helixtrans-75-30.5-176.8-58.40000112.6I10 A22 K25 A26 L29 L145 G335 I336 G341 I342 N343I10-V339 HydrophobicContact CD1-CG1 4.17Å; A22-V339 HydrophobicContact CB-CG1 4.02Å; K25-V339 HydrophobicContact CB-CG2 3.76Å; K25-V339 HydrophobicContact CG-CG2 3.46Å; K25-V339 VanDerWaalsContact CG-CG2 3.46Å; A26-V339 HydrophobicContact CB-CB 4.17Å; A26-V339 HydrophobicContact CB-CG1 4.06Å; L29-V339 HydrophobicContact CD1-CG2 4.12Å; L145-V339 HydrophobicContact CD2-CG1 4.14Å; G335-V339 WeakPolarHBondContact O-CG2 3.27Å; G335-V339 PolarHBondContact O-N 2.87Å; I336-V339 VanDerWaalsContact O-CG2 3.27Å; I336-V339 WeakPolarHBondContact O-CG2 3.28Å; I336-V339 PolarHBondContact O-N 2.76Å; V339-G341 VanDerWaalsContact C-N 3.34Å; V339-I342 PolarHBondContact O-N 2.92Å; V339-N343 WeakPolarHBondContact O-CB 3.24Å; V339-N343 PolarHBondContact O-N 3.33Å
340E98.7Very high98.4Very high57 Ų5742 Ų4227%0.26625%0.247SC..Hα-helixtrans-62.8-42.1168-73.9-179.3162.700111.2K25 L29 I336 L337 N343 G344 G345K25-E340 WeakPolarHBondContact CE-OE1 3.4Å; K25-E340 IonicContact NZ-OE1 2.63Å; K25-E340 PolarHBondContact NZ-OE1 3.03Å; L29-E340 HydrophobicContact CD1-CG 4.02Å; I336-E340 WeakPolarHBondContact O-CG 3.12Å; I336-E340 PolarHBondContact O-N 2.7Å; L337-E340 PolarHBondContact O-N 2.83Å; E340-N343 CarbonylContact O-C 3.57Å; E340-N343 WeakPolarHBondContact O-CA 3.35Å; E340-N343 WeakPolarHBondContact O-CB 3.08Å; E340-N343 PolarHBondContact O-N 3.11Å; E340-N343 VanDerWaalsContact O-N 3.12Å; E340-G344 PolarHBondContact O-N 2.7Å; E340-G345 WeakPolarHBondContact O-CA 3.5Å; E340-G345 PolarHBondContact O-N 2.77Å
341G98.6Very high98.3Very high12 Ų1246.3 Ų46.312%0.12426%0.264CS..Hα-helixtrans-62.2-42.2173.600000113.8L337 C338 V339 N343 G344 V347L337-G341 PolarHBondContact O-N 3.26Å; C338-G341 PolarHBondContact O-N 3.36Å; V339-G341 VanDerWaalsContact C-N 3.34Å; G341-N343 PolarHBondContact O-N 3.5Å; G341-G344 PolarHBondContact O-N 3.23Å; G341-V347 VanDerWaalsContact CA-CG2 3.49Å
342I98.5Very high98.2Very high36 Ų3648.4 Ų48.419%0.18527%0.274CS..Hα-helixtrans-59.3-36.5172.4-68.9167.5000110.5I10 M31 F316 C338 V339 G344I10-I342 HydrophobicContact CD1-CD1 3.92Å; M31-I342 HydrophobicContact CE-CB 4.18Å; M31-I342 HydrophobicContact CE-CG2 3.71Å; M31-I342 HydrophobicContact SD-CG2 4.27Å; F316-I342 HydrophobicContact CD1-CD1 4.22Å; F316-I342 HydrophobicContact CD1-CG1 4.2Å; F316-I342 HydrophobicContact CD2-CD1 3.88Å; F316-I342 HydrophobicContact CD2-CG1 4.3Å; F316-I342 HydrophobicContact CE1-CD1 4.1Å; F316-I342 HydrophobicContact CE1-CG1 3.6Å; F316-I342 HydrophobicContact CE2-CD1 3.81Å; F316-I342 HydrophobicContact CE2-CG1 3.79Å; F316-I342 HydrophobicContact CG-CD1 4.12Å; F316-I342 HydrophobicContact CZ-CD1 3.94Å; F316-I342 HydrophobicContact CZ-CG1 3.41Å; F316-I342 VanDerWaalsContact CZ-CG1 3.41Å; C338-I342 WeakPolarHBondContact O-CG1 3.44Å; C338-I342 PolarHBondContact O-N 3.04Å; V339-I342 PolarHBondContact O-N 2.92Å; I342-G344 PolarHBondContact O-N 3.5Å
343N97.9Very high98.2Very high90 Ų9045.9 Ų45.948%0.48126%0.263SS..THydrogen-bonded Turntrans-79.36.5176.3-156.154.1000114L29 M31 V339 E340 G341L29-N343 HydrophobicContact CD1-CB 4.13Å; M31-N343 HydrophobicContact CE-CB 3.63Å; V339-N343 WeakPolarHBondContact O-CB 3.24Å; V339-N343 PolarHBondContact O-N 3.33Å; E340-N343 CarbonylContact O-C 3.57Å; E340-N343 WeakPolarHBondContact O-CA 3.35Å; E340-N343 WeakPolarHBondContact O-CB 3.08Å; E340-N343 PolarHBondContact O-N 3.11Å; E340-N343 VanDerWaalsContact O-N 3.12Å; G341-N343 PolarHBondContact O-N 3.5Å
344G97.5Very high98.2Very high67 Ų6743 Ų4369%0.69125%0.247SC*.THydrogen-bonded Turntrans89.84.8177.700000115.5E340 G341 I342E340-G344 PolarHBondContact O-N 2.7Å; G341-G344 PolarHBondContact O-N 3.23Å; I342-G344 PolarHBondContact O-N 3.5Å
345G97.7Very high98.2Very high22 Ų2244.2 Ų44.223%0.22726%0.255CS..  trans-74.7168.417600000114E340E340-G345 WeakPolarHBondContact O-CA 3.5Å; E340-G345 PolarHBondContact O-N 2.77Å
346P97.7Very high98.2Very high117 Ų11745.3 Ų45.376%0.7626%0.262SS*.  trans-68.2152.2169.931-34.3000111
347V98.4Very high98.2Very high30 Ų3044 Ų4418%0.18226%0.257CS..  trans-126.4119.9176.7-175.40000107.9D306 R307 F308 L337 G341D306-V347 WeakPolarHBondContact O-CG1 3.05Å; R307-V347 HydrophobicContact CG-CB 4.43Å; R307-V347 HydrophobicContact CG-CG2 4.26Å; F308-V347 HydrophobicContact CD2-CG1 4.08Å; F308-V347 HydrophobicContact CE2-CG1 3.55Å; F308-V347 HydrophobicContact CZ-CG1 4.44Å; L337-V347 HydrophobicContact CB-CG1 4.16Å; G341-V347 VanDerWaalsContact CA-CG2 3.49Å
348H97.6Very high98.2Very high143 Ų14342.6 Ų42.666%0.66225%0.249SC*.  trans-150.8131.1176-176.966.9000110.2L337L337-H348 WeakPolarHBondContact CD1-O 3.35Å
349I97.1Very high98.2Very high34 Ų3447 Ų4717%0.17427%0.267CS..  trans-138.5129.2170.4-170.7167.8000107.9F308 D333 E334 L337 Y351 I354F308-I349 HydrophobicContact CZ-CG2 4.19Å; D333-I349 HydrophobicContact CB-CD1 4.18Å; E334-I349 HydrophobicContact CG-CD1 3.95Å; L337-I349 HydrophobicContact CD1-CB 3.76Å; L337-I349 HydrophobicContact CD1-CD1 4.39Å; L337-I349 HydrophobicContact CD1-CG1 4.35Å; I349-Y351 HydrophobicContact CD1-CE1 4.19Å; I349-Y351 HydrophobicContact CG2-CD2 4.19Å; I349-Y351 HydrophobicContact CG2-CE1 4.28Å; I349-Y351 HydrophobicContact CG2-CE2 3.61Å; I349-I354 HydrophobicContact CD1-CD1 4Å; I349-I354 HydrophobicContact CG1-CD1 4.41Å
350D97.7Very high98.2Very high54 Ų5447.2 Ų47.229%0.28927%0.268SS..  trans-95.3100.9169.3-174.40.9000109.6N352 C353D350-N352 PolarHBondContact O-N 2.85Å; D350-N352 VanDerWaalsContact O-N 3.12Å; D350-N352 WeakPolarHBondContact OD1-CB 3.37Å; D350-N352 PolarHBondContact OD1-N 3.42Å; D350-C353 HydrophobicContact CB-CB 4.17Å; D350-C353 PolarHBondContact O-N 3.36Å; D350-C353 PolarHBondContact OD2-SG 2.99Å
351Y97.5Very high98.1Very high92 Ų9246.2 Ų46.236%0.36126%0.263SS..G310 helixtrans-60.5-20.7176.9-68.8-74.7000113.6K330 E334 I349 C353 I354K330-Y351 HydrophobicContact CG-CE1 4.3Å; E334-Y351 WeakPolarHBondContact OE1-CE1 3.21Å; E334-Y351 PolarHBondContact OE1-OH 2.91Å; I349-Y351 HydrophobicContact CD1-CE1 4.19Å; I349-Y351 HydrophobicContact CG2-CD2 4.19Å; I349-Y351 HydrophobicContact CG2-CE1 4.28Å; I349-Y351 HydrophobicContact CG2-CE2 3.61Å; Y351-C353 VanDerWaalsContact C-N 3.27Å; Y351-I354 HydrophobicContact CD1-CD1 3.58Å; Y351-I354 HydrophobicContact CE1-CD1 4.18Å; Y351-I354 HydrophobicContact CG-CD1 4.44Å
352N97.8Very high98.1Very high52 Ų5245.7 Ų45.728%0.27826%0.257SS..G310 helixtrans-73.3-21.9174.5-173.573000112.3D350 G368 K369D350-N352 PolarHBondContact O-N 2.85Å; D350-N352 VanDerWaalsContact O-N 3.12Å; D350-N352 WeakPolarHBondContact OD1-CB 3.37Å; D350-N352 PolarHBondContact OD1-N 3.42Å; N352-G368 VanDerWaalsContact O-CA 3.3Å; N352-G368 WeakPolarHBondContact O-CA 3.45Å; N352-G368 PolarHBondContact O-N 3.28Å; N352-K369 WeakPolarHBondContact OD1-CE 3.27Å
353C98.3Very high98.1Very high4 Ų445.7 Ų45.73%0.02726%0.257CS..G310 helixtrans-93.72178.4-66.80000113.3D350 Y351 P355 V367 E437D350-C353 HydrophobicContact CB-CB 4.17Å; D350-C353 PolarHBondContact O-N 3.36Å; D350-C353 PolarHBondContact OD2-SG 2.99Å; Y351-C353 VanDerWaalsContact C-N 3.27Å; C353-P355 WeakPolarHBondContact O-CD 3.45Å; C353-V367 WeakPolarHBondContact O-CG2 3.45Å; C353-E437 HydrophobicContact CB-CG 3.92Å; C353-E437 WeakPolarHBondContact CB-OE1 3.34Å
354I98.5Very high98.2Very high16 Ų1641.5 Ų41.58%0.08223%0.234CC..  trans-78.9115.7175.1-61.4-176.7000109.8L327 K330 I349 Y351L327-I354 HydrophobicContact CD1-CG2 3.97Å; K330-I354 HydrophobicContact CB-CD1 3.88Å; K330-I354 HydrophobicContact CB-CG2 4.24Å; K330-I354 HydrophobicContact CG-CD1 3.63Å; I349-I354 HydrophobicContact CD1-CD1 4Å; I349-I354 HydrophobicContact CG1-CD1 4.41Å; Y351-I354 HydrophobicContact CD1-CD1 3.58Å; Y351-I354 HydrophobicContact CE1-CD1 4.18Å; Y351-I354 HydrophobicContact CG-CD1 4.44Å
355P98.5Very high98.2Very high25 Ų2538.3 Ų38.316%0.16220%0.201CC..  trans-73.8153.3179.432.1-35.8000111.2L327 H329 C353 W366 V367 I429 V433L327-P355 WeakPolarHBondContact CD1-O 3.39Å; H329-P355 PolarHBondContact CE1-O 3.27Å; H329-P355 PolarHBondContact NE2-O 2.89Å; C353-P355 WeakPolarHBondContact O-CD 3.45Å; P355-W366 CarbonylContact C-O 3.59Å; P355-W366 VanDerWaalsContact CA-O 3.31Å; P355-W366 WeakPolarHBondContact CA-O 3.42Å; P355-V367 HydrophobicContact CB-CB 4.31Å; P355-I429 HydrophobicContact CB-CG1 4.02Å; P355-I429 HydrophobicContact CB-CG2 3.96Å; P355-V433 HydrophobicContact CB-CG2 3.74Å; P355-V433 HydrophobicContact CG-CG2 3.72Å
356S98.8Very high98.3Very high22 Ų2238.2 Ų38.215%0.15419%0.194CC..EExtended strand (participates in β ladder)trans-118.2143.2168.8-66.40000109.6A365 W366S356-A365 CarbonylContact O-C 3.47Å; S356-A365 WeakPolarHBondContact O-CA 3.43Å; S356-W366 PolarHBondContact N-O 2.98Å; S356-W366 PolarHBondContact O-N 3.41Å
357V98.7Very high98.4Very high22 Ų2232.7 Ų32.713%0.13316%0.158CC..EExtended strand (participates in β ladder)trans-139.8135.8-177.7-172.20000110.9Y359 V364 A365 I429V357-Y359 HydrophobicContact CB-CD2 4.14Å; V357-Y359 HydrophobicContact CB-CE2 3.55Å; V357-Y359 HydrophobicContact CG1-CD1 4.24Å; V357-Y359 HydrophobicContact CG1-CD2 3.69Å; V357-Y359 HydrophobicContact CG1-CE1 4Å; V357-Y359 HydrophobicContact CG1-CE2 3.44Å; V357-Y359 VanDerWaalsContact CG1-CE2 3.44Å; V357-Y359 HydrophobicContact CG1-CG 4.12Å; V357-V364 CarbonylContact C-O 3.47Å; V357-V364 VanDerWaalsContact CA-O 3.31Å; V357-V364 WeakPolarHBondContact CA-O 3.44Å; V357-A365 HydrophobicContact CG1-CB 4.4Å; V357-A365 HydrophobicContact CG2-CB 4.02Å; V357-I429 HydrophobicContact CG2-CG2 4.26Å
358I98.8Very high98.4Very high0 Ų031.9 Ų31.90%016%0.156CC..EExtended strand (participates in β ladder)trans-113.1119.6168.9-47.8-178.3000107.6V188 V191 E192 I218 F226 T360 E363 V364 W366V188-I358 HydrophobicContact CB-CG1 4.48Å; V188-I358 HydrophobicContact CG1-CB 4.5Å; V188-I358 HydrophobicContact CG1-CG1 4.1Å; V188-I358 HydrophobicContact CG1-CG2 4.33Å; V188-I358 HydrophobicContact CG2-CD1 4.11Å; V188-I358 HydrophobicContact CG2-CG1 3.96Å; V191-I358 HydrophobicContact CG2-CG2 3.75Å; E192-I358 HydrophobicContact CG-CG2 4.09Å; I218-I358 HydrophobicContact CD1-CD1 4.4Å; F226-I358 HydrophobicContact CE1-CD1 3.84Å; F226-I358 HydrophobicContact CE1-CG2 4.28Å; F226-I358 HydrophobicContact CZ-CD1 4.5Å; F226-I358 HydrophobicContact CZ-CG2 3.96Å; I358-T360 HydrophobicContact CG2-CG2 4Å; I358-T360 PolarHBondContact O-N 3.12Å; I358-E363 WeakPolarHBondContact O-CA 3.43Å; I358-V364 HydrophobicContact CB-CB 4.1Å; I358-V364 HydrophobicContact CD1-CB 4.3Å; I358-V364 HydrophobicContact CG1-CB 4.29Å; I358-V364 PolarHBondContact N-O 2.86Å; I358-V364 PolarHBondContact O-N 3.47Å; I358-W366 HydrophobicContact CD1-CH2 4.36Å; I358-W366 HydrophobicContact CD1-CZ3 4.05Å; I358-W366 HydrophobicContact CG1-CH2 4.37Å; I358-W366 HydrophobicContact CG1-CZ3 3.97Å
359Y98.6Very high98.4Very high92 Ų9227.7 Ų27.736%0.36114%0.136SC..  trans-93.634.1-169.3-66.3-105.3000112.8K55 L58 E192 V357K55-Y359 HydrophobicContact CD-CD2 4.33Å; K55-Y359 HydrophobicContact CD-CG 4.29Å; K55-Y359 HydrophobicContact CG-CD1 4.18Å; K55-Y359 HydrophobicContact CG-CG 4.23Å; K55-Y359 VanDerWaalsContact NZ-CD2 3.28Å; L58-Y359 WeakPolarHBondContact CD1-O 3.44Å; E192-Y359 WeakPolarHBondContact OE1-CD2 2.98Å; E192-Y359 PolarHBondContact OE1-N 3.26Å; V357-Y359 HydrophobicContact CB-CD2 4.14Å; V357-Y359 HydrophobicContact CB-CE2 3.55Å; V357-Y359 HydrophobicContact CG1-CD1 4.24Å; V357-Y359 HydrophobicContact CG1-CD2 3.69Å; V357-Y359 HydrophobicContact CG1-CE1 4Å; V357-Y359 HydrophobicContact CG1-CE2 3.44Å; V357-Y359 VanDerWaalsContact CG1-CE2 3.44Å; V357-Y359 HydrophobicContact CG1-CG 4.12Å
360T98.7Very high98.5Very high4 Ų426.6 Ų26.63%0.02513%0.13CC..SBendtrans-67.6-174.8168.244.90000110.5V191 F226 I358 P362 E363V191-T360 HydrophobicContact CG2-CG2 4.43Å; F226-T360 HydrophobicContact CE2-CG2 4.14Å; F226-T360 WeakPolarHBondContact CE2-OG1 3.39Å; F226-T360 HydrophobicContact CZ-CG2 3.81Å; F226-T360 VanDerWaalsContact CZ-OG1 3.23Å; F226-T360 WeakPolarHBondContact CZ-OG1 3.47Å; I358-T360 HydrophobicContact CG2-CG2 4Å; I358-T360 PolarHBondContact O-N 3.12Å; T360-P362 VanDerWaalsContact C-C 3.46Å; T360-P362 CarbonylContact C-O 3.45Å; T360-P362 WeakPolarHBondContact CB-O 3.39Å; T360-P362 CarbonylContact O-C 3.51Å; T360-P362 VanDerWaalsContact O-C 3.26Å; T360-P362 PolarHBondContact OG1-O 3.33Å; T360-E363 WeakPolarHBondContact O-CG 3.31Å; T360-E363 PolarHBondContact O-N 3.3Å
361H98Very high98.5Very high36 Ų3625 Ų2517%0.16712%0.121CC..SBendtrans-129109.8170.4-176.759.9000107R62 Q233 D399R62-H361 PolarHBondContact NH1-ND1 3Å; R62-H361 PolarHBondContact NH2-CE1 3.47Å; Q233-H361 PolarHBondContact NE2-O 3.5Å; H361-D399 IonicContact CE1-OD1 2.7Å; H361-D399 PolarHBondContact CE1-OD1 2.9Å; H361-D399 IonicContact CE1-OD2 3.03Å; H361-D399 PolarHBondContact CE1-OD2 3.07Å; H361-D399 VanDerWaalsContact CE1-OD2 3.23Å; H361-D399 IonicContact NE2-OD1 2.73Å
362P98.4Very high98.6Very high1 Ų123 Ų231%0.00612%0.115CC..SBendcis-64.1157.90.529.8-35.9000112.9I229 T360 D401 I421I229-P362 HydrophobicContact CD1-CG 4.13Å; I229-P362 VanDerWaalsContact CG2-CD 3.45Å; I229-P362 HydrophobicContact CG2-CG 3.98Å; T360-P362 VanDerWaalsContact C-C 3.46Å; T360-P362 CarbonylContact C-O 3.45Å; T360-P362 WeakPolarHBondContact CB-O 3.39Å; T360-P362 CarbonylContact O-C 3.51Å; T360-P362 VanDerWaalsContact O-C 3.26Å; T360-P362 PolarHBondContact OG1-O 3.33Å; P362-D401 HydrophobicContact CG-CB 4.23Å; P362-I421 HydrophobicContact CB-CG1 4.28Å; P362-I421 HydrophobicContact CG-CD1 4.23Å; P362-I421 HydrophobicContact CG-CG1 3.88Å
363E98.8Very high98.6Very high37 Ų3723.3 Ų23.317%0.17312%0.115CC..EExtended strand (participates in β ladder)trans-72.9157169.7-67.4177.5176.700109.4I358 T360 I421 G422 N424 A425 G426I358-E363 WeakPolarHBondContact O-CA 3.43Å; T360-E363 WeakPolarHBondContact O-CG 3.31Å; T360-E363 PolarHBondContact O-N 3.3Å; E363-I421 WeakPolarHBondContact O-CA 3.49Å; E363-G422 PolarHBondContact N-O 3.03Å; E363-G422 VanDerWaalsContact N-O 3.11Å; E363-G422 PolarHBondContact O-N 3.34Å; E363-N424 WeakPolarHBondContact OE2-CA 3.33Å; E363-A425 HydrophobicContact CB-CB 3.73Å; E363-A425 PolarHBondContact OE2-N 3.29Å; E363-A425 VanDerWaalsContact OE2-N 3.08Å; E363-G426 PolarHBondContact OE2-N 2.97Å
364V98.9Very high98.6Very high1 Ų123.3 Ų23.31%0.00612%0.115CC..EExtended strand (participates in β ladder)trans-126.6130.9170.9-175.40000107.8I218 V222 F226 V357 I358 W366 I420 I421I218-V364 HydrophobicContact CD1-CG1 4.1Å; V222-V364 HydrophobicContact CG1-CG1 3.56Å; F226-V364 HydrophobicContact CB-CG2 4.38Å; F226-V364 HydrophobicContact CD1-CG2 4.04Å; F226-V364 HydrophobicContact CD2-CG2 3.69Å; F226-V364 HydrophobicContact CE1-CG2 4.2Å; F226-V364 HydrophobicContact CE2-CG2 3.87Å; F226-V364 HydrophobicContact CG-CG2 3.79Å; F226-V364 HydrophobicContact CZ-CG2 4.11Å; V357-V364 CarbonylContact C-O 3.47Å; V357-V364 VanDerWaalsContact CA-O 3.31Å; V357-V364 WeakPolarHBondContact CA-O 3.44Å; I358-V364 HydrophobicContact CB-CB 4.1Å; I358-V364 HydrophobicContact CD1-CB 4.3Å; I358-V364 HydrophobicContact CG1-CB 4.29Å; I358-V364 PolarHBondContact N-O 2.86Å; I358-V364 PolarHBondContact O-N 3.47Å; V364-W366 HydrophobicContact CG1-CE3 4.17Å; V364-W366 HydrophobicContact CG1-CZ3 4.24Å; V364-I420 CarbonylContact C-O 3.54Å; V364-I420 VanDerWaalsContact CA-O 3.31Å; V364-I420 WeakPolarHBondContact CA-O 3.43Å; V364-I421 HydrophobicContact CG2-CB 4.32Å; V364-I421 HydrophobicContact CG2-CD1 4.17Å; V364-I421 HydrophobicContact CG2-CG1 4.06Å
365A98.8Very high98.7Very high0 Ų027.9 Ų27.90%013%0.134CC..EExtended strand (participates in β ladder)trans-141.6145176.500000111.3S356 V357 I420 A425 I429S356-A365 CarbonylContact O-C 3.47Å; S356-A365 WeakPolarHBondContact O-CA 3.43Å; V357-A365 HydrophobicContact CG1-CB 4.4Å; V357-A365 HydrophobicContact CG2-CB 4.02Å; A365-I420 PolarHBondContact N-O 3.37Å; A365-I420 PolarHBondContact O-N 3.26Å; A365-A425 HydrophobicContact CB-CB 3.95Å; A365-A425 VanDerWaalsContact CB-O 3.25Å; A365-A425 WeakPolarHBondContact CB-O 3.32Å; A365-I429 HydrophobicContact CB-CB 3.72Å; A365-I429 HydrophobicContact CB-CD1 4.18Å; A365-I429 HydrophobicContact CB-CG1 3.96Å; A365-I429 HydrophobicContact CB-CG2 4.07Å
366W98.8Very high98.6Very high20 Ų2034.7 Ų34.78%0.07616%0.164CC..EExtended strand (participates in β ladder)trans-149.3156.1175.768.295000112.5I218 P355 S356 I358 V364 A418 H419I218-W366 HydrophobicContact CB-CH2 4.25Å; I218-W366 HydrophobicContact CB-CZ2 4.39Å; I218-W366 HydrophobicContact CB-CZ3 4.39Å; I218-W366 HydrophobicContact CD1-CZ3 4.47Å; I218-W366 HydrophobicContact CG1-CE3 4.42Å; I218-W366 HydrophobicContact CG1-CZ3 4.31Å; P355-W366 CarbonylContact C-O 3.59Å; P355-W366 VanDerWaalsContact CA-O 3.31Å; P355-W366 WeakPolarHBondContact CA-O 3.42Å; S356-W366 PolarHBondContact N-O 2.98Å; S356-W366 PolarHBondContact O-N 3.41Å; I358-W366 HydrophobicContact CD1-CH2 4.36Å; I358-W366 HydrophobicContact CD1-CZ3 4.05Å; I358-W366 HydrophobicContact CG1-CH2 4.37Å; I358-W366 HydrophobicContact CG1-CZ3 3.97Å; V364-W366 HydrophobicContact CG1-CE3 4.17Å; V364-W366 HydrophobicContact CG1-CZ3 4.24Å; W366-A418 CarbonylContact C-O 3.31Å; W366-A418 WeakPolarHBondContact CA-O 3.31Å; W366-H419 HydrophobicContact CB-CB 4.45Å; W366-H419 WeakPolarHBondContact CB-ND1 3.38Å
367V98.8Very high98.6Very high1 Ų138.6 Ų38.61%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-149.9150.9172.7640000109.3C353 P355 G417 A418 I429 A432 V433 L436C353-V367 WeakPolarHBondContact O-CG2 3.45Å; P355-V367 HydrophobicContact CB-CB 4.31Å; V367-G417 WeakPolarHBondContact O-CA 3.32Å; V367-A418 HydrophobicContact CG1-CB 4.25Å; V367-A418 PolarHBondContact N-O 2.93Å; V367-A418 PolarHBondContact O-N 3.13Å; V367-I429 HydrophobicContact CB-CD1 4.36Å; V367-I429 HydrophobicContact CB-CG1 4.26Å; V367-I429 HydrophobicContact CG1-CD1 3.83Å; V367-I429 HydrophobicContact CG1-CG1 4.04Å; V367-A432 HydrophobicContact CG1-CB 3.58Å; V367-V433 HydrophobicContact CB-CG2 4.25Å; V367-V433 HydrophobicContact CG1-CG2 4.3Å; V367-V433 HydrophobicContact CG2-CG2 3.97Å; V367-L436 HydrophobicContact CB-CD1 4.08Å; V367-L436 HydrophobicContact CG1-CD1 3.6Å; V367-L436 HydrophobicContact CG2-CD1 3.64Å
368G98.6Very high98.6Very high13 Ų1340.6 Ų40.613%0.13420%0.204CC..EExtended strand (participates in β ladder)trans77.1-157.9-173.400000113.2N352N352-G368 VanDerWaalsContact O-CA 3.3Å; N352-G368 WeakPolarHBondContact O-CA 3.45Å; N352-G368 PolarHBondContact O-N 3.28Å
369K98.7Very high98.6Very high56 Ų5642.7 Ų42.724%0.24322%0.217CC..  trans-81.4143.7-175.3-58.8-70.1-175.71520111.6N352 Q373 L374 E377 L407 L416 H419N352-K369 WeakPolarHBondContact OD1-CE 3.27Å; K369-Q373 HydrophobicContact CD-CB 4.3Å; K369-L374 HydrophobicContact CB-CD1 4.48Å; K369-L374 HydrophobicContact CB-CD2 3.65Å; K369-L374 HydrophobicContact CB-CG 3.87Å; K369-L374 HydrophobicContact CG-CD2 3.93Å; K369-E377 IonicContact NZ-OE1 2.72Å; K369-E377 PolarHBondContact NZ-OE1 3.23Å; K369-E377 IonicContact NZ-OE2 2.76Å; K369-L407 WeakPolarHBondContact O-CD1 3.43Å; K369-L416 PolarHBondContact N-O 3.32Å; K369-H419 PolarHBondContact O-CE1 3.41Å; K369-H419 PolarHBondContact O-NE2 3.18Å
370N98.7Very high98.6Very high10 Ų1046.4 Ų46.45%0.05324%0.235CC..  trans-85.6167.9165.36535.9000111.8G217 D219 E372 Q373 L374G217-N370 PolarHBondContact O-ND2 3.47Å; D219-N370 HydrophobicContact CB-CB 4Å; N370-E372 PolarHBondContact O-N 3.48Å; N370-E372 PolarHBondContact OD1-N 2.89Å; N370-Q373 PolarHBondContact O-N 3.44Å; N370-Q373 WeakPolarHBondContact OD1-CB 3.47Å; N370-Q373 WeakPolarHBondContact OD1-CG 3.41Å; N370-Q373 PolarHBondContact OD1-N 3.37Å; N370-L374 WeakPolarHBondContact O-CG 3.18Å; N370-L374 PolarHBondContact O-N 3.17Å
371E98.7Very high98.6Very high22 Ų2248.6 Ų48.610%0.10324%0.243CC..Hα-helixtrans-60-35.7180-84.1-160.1-143.200112.9D219 L374 K375 Y381 K405 L407D219-E371 PolarHBondContact OD2-N 2.93Å; E371-L374 PolarHBondContact O-N 3.09Å; E371-K375 VanDerWaalsContact O-CG 3.27Å; E371-K375 WeakPolarHBondContact O-CG 3.1Å; E371-K375 PolarHBondContact O-N 2.94Å; E371-K375 WeakPolarHBondContact OE2-CE 3.28Å; E371-K375 IonicContact OE2-NZ 3.69Å; E371-K375 PolarHBondContact OE2-NZ 2.92Å; E371-Y381 HydrophobicContact CG-CE2 3.73Å; E371-Y381 PolarHBondContact OE2-OH 2.99Å; E371-K405 VanDerWaalsContact CD-NZ 3.34Å; E371-K405 WeakPolarHBondContact OE1-CE 3.44Å; E371-K405 IonicContact OE1-NZ 2.86Å; E371-K405 PolarHBondContact OE1-NZ 2.82Å; E371-L407 HydrophobicContact CB-CD1 4.43Å; E371-L407 HydrophobicContact CG-CD1 3.82Å; E371-L407 HydrophobicContact CG-CD2 3.57Å; E371-L407 HydrophobicContact CG-CG 4.37Å
372E98.5Very high98.6Very high48 Ų4849.5 Ų49.522%0.22425%0.246CC..Hα-helixtrans-65-45.5-177.7-71.462.5-117.900110.9M220 N370 L374 K375 E376M220-E372 HydrophobicContact CB-CG 4.45Å; M220-E372 VanDerWaalsContact CG-CD 3.43Å; M220-E372 HydrophobicContact CG-CG 3.7Å; M220-E372 WeakPolarHBondContact CG-OE2 3.27Å; M220-E372 PolarHBondContact N-OE2 2.87Å; N370-E372 PolarHBondContact O-N 3.48Å; N370-E372 PolarHBondContact OD1-N 2.89Å; E372-L374 PolarHBondContact O-N 2.92Å; E372-K375 PolarHBondContact O-N 3.22Å; E372-K375 IonicContact OE1-NZ 2.71Å; E372-E376 WeakPolarHBondContact O-CG 3.23Å; E372-E376 PolarHBondContact O-N 2.84Å
373Q98.5Very high98.6Very high60 Ų6051.9 Ų51.928%0.2826%0.261SS..Hα-helixtrans-60.5-45.1174.5-74168.7-3100111.5K369 N370 K375 E376 E377K369-Q373 HydrophobicContact CD-CB 4.3Å; N370-Q373 PolarHBondContact O-N 3.44Å; N370-Q373 WeakPolarHBondContact OD1-CB 3.47Å; N370-Q373 WeakPolarHBondContact OD1-CG 3.41Å; N370-Q373 PolarHBondContact OD1-N 3.37Å; Q373-K375 VanDerWaalsContact C-N 3.31Å; Q373-K375 PolarHBondContact O-N 3.32Å; Q373-E376 PolarHBondContact O-N 3.11Å; Q373-E377 WeakPolarHBondContact O-CB 3.39Å; Q373-E377 VanDerWaalsContact O-CG 3.25Å; Q373-E377 WeakPolarHBondContact O-CG 3.34Å; Q373-E377 PolarHBondContact O-N 3.18Å
374L98.7Very high98.6Very high3 Ų350.1 Ų50.12%0.01625%0.253CS..Hα-helixtrans-64-37.1178.8-64.8-179.5000112.2K369 N370 E371 E372 G378 V379 Y381 L407 L416K369-L374 HydrophobicContact CB-CD1 4.48Å; K369-L374 HydrophobicContact CB-CD2 3.65Å; K369-L374 HydrophobicContact CB-CG 3.87Å; K369-L374 HydrophobicContact CG-CD2 3.93Å; N370-L374 WeakPolarHBondContact O-CG 3.18Å; N370-L374 PolarHBondContact O-N 3.17Å; E371-L374 PolarHBondContact O-N 3.09Å; E372-L374 PolarHBondContact O-N 2.92Å; L374-G378 PolarHBondContact O-N 2.94Å; L374-G378 VanDerWaalsContact O-N 3.16Å; L374-V379 HydrophobicContact CB-CB 4.41Å; L374-V379 HydrophobicContact CD2-CB 4.09Å; L374-V379 HydrophobicContact CD2-CG1 4.13Å; L374-V379 HydrophobicContact CD2-CG2 4.39Å; L374-V379 PolarHBondContact O-N 2.89Å; L374-Y381 HydrophobicContact CB-CD1 3.65Å; L374-Y381 HydrophobicContact CB-CE1 3.92Å; L374-Y381 HydrophobicContact CB-CG 4.31Å; L374-Y381 HydrophobicContact CD1-CD1 3.9Å; L374-Y381 HydrophobicContact CD1-CD2 4.15Å; L374-Y381 HydrophobicContact CD1-CG 3.68Å; L374-Y381 HydrophobicContact CG-CD1 4.43Å; L374-L407 HydrophobicContact CD1-CB 3.94Å; L374-L407 HydrophobicContact CD1-CD1 3.78Å; L374-L407 HydrophobicContact CD1-CG 4.45Å; L374-L416 HydrophobicContact CD1-CB 4.14Å; L374-L416 HydrophobicContact CD1-CD1 3.99Å; L374-L416 HydrophobicContact CD2-CB 4.35Å; L374-L416 HydrophobicContact CD2-CD1 4.03Å
375K98.6Very high98.5Very high113 Ų11352.8 Ų52.849%0.49126%0.264SS..Hα-helixtrans-65.2-46.4173.7-71.3165.8-162.81600111.4E371 E372 Q373 E377 G378 Y381E371-K375 VanDerWaalsContact O-CG 3.27Å; E371-K375 WeakPolarHBondContact O-CG 3.1Å; E371-K375 PolarHBondContact O-N 2.94Å; E371-K375 WeakPolarHBondContact OE2-CE 3.28Å; E371-K375 IonicContact OE2-NZ 3.69Å; E371-K375 PolarHBondContact OE2-NZ 2.92Å; E372-K375 PolarHBondContact O-N 3.22Å; E372-K375 IonicContact OE1-NZ 2.71Å; Q373-K375 VanDerWaalsContact C-N 3.31Å; Q373-K375 PolarHBondContact O-N 3.32Å; K375-E377 VanDerWaalsContact C-N 3.31Å; K375-E377 PolarHBondContact O-N 3.4Å; K375-G378 PolarHBondContact O-N 2.71Å; K375-G378 VanDerWaalsContact O-N 3.16Å; K375-Y381 WeakPolarHBondContact CE-OH 3.29Å; K375-Y381 HydrophobicContact CG-CE1 4.17Å
376E98.3Very high98.5Very high168 Ų16853 Ų5379%0.78527%0.265SS*.Hα-helixtrans-61.6-38.6177.8-74.6175.1-175.900112E372 Q373 G378E372-E376 WeakPolarHBondContact O-CG 3.23Å; E372-E376 PolarHBondContact O-N 2.84Å; Q373-E376 PolarHBondContact O-N 3.11Å; E376-G378 VanDerWaalsContact C-N 3.27Å; E376-G378 PolarHBondContact O-N 2.84Å
377E98.3Very high98.5Very high104 Ų10453.2 Ų53.249%0.48627%0.269SS..THydrogen-bonded Turntrans-79-5.8177.9-68.1171.8-167.200113.3K369 Q373 K375 V379K369-E377 IonicContact NZ-OE1 2.72Å; K369-E377 PolarHBondContact NZ-OE1 3.23Å; K369-E377 IonicContact NZ-OE2 2.76Å; Q373-E377 WeakPolarHBondContact O-CB 3.39Å; Q373-E377 VanDerWaalsContact O-CG 3.25Å; Q373-E377 WeakPolarHBondContact O-CG 3.34Å; Q373-E377 PolarHBondContact O-N 3.18Å; K375-E377 VanDerWaalsContact C-N 3.31Å; K375-E377 PolarHBondContact O-N 3.4Å; E377-V379 HydrophobicContact CB-CG2 3.89Å; E377-V379 PolarHBondContact O-N 2.95Å
378G98.3Very high98.4Very high63 Ų6353.3 Ų53.365%0.64927%0.27SS*.THydrogen-bonded Turntrans67.621.1-178.500000114.1L374 K375 E376L374-G378 PolarHBondContact O-N 2.94Å; L374-G378 VanDerWaalsContact O-N 3.16Å; K375-G378 PolarHBondContact O-N 2.71Å; K375-G378 VanDerWaalsContact O-N 3.16Å; E376-G378 VanDerWaalsContact C-N 3.27Å; E376-G378 PolarHBondContact O-N 2.84Å
379V98.5Very high98.3Very high45 Ų4557.7 Ų57.727%0.27329%0.289SS..  trans-77.1132.1-179.8177.60000109.5L374 E377 Y381 L416L374-V379 HydrophobicContact CB-CB 4.41Å; L374-V379 HydrophobicContact CD2-CB 4.09Å; L374-V379 HydrophobicContact CD2-CG1 4.13Å; L374-V379 HydrophobicContact CD2-CG2 4.39Å; L374-V379 PolarHBondContact O-N 2.89Å; E377-V379 HydrophobicContact CB-CG2 3.89Å; E377-V379 PolarHBondContact O-N 2.95Å; V379-Y381 WeakPolarHBondContact O-CD1 3.45Å; V379-Y381 PolarHBondContact O-N 2.81Å; V379-L416 HydrophobicContact CG1-CD1 3.83Å
380K98.6Very high98.2Very high170 Ų17056.4 Ų56.474%0.73929%0.289SS*.  trans-83.7111.9174.1-68.2-173.4-179.4-177.90109.9S410K380-S410 WeakPolarHBondContact O-CB 3.35Å; K380-S410 PolarHBondContact O-N 3.33Å; K380-S410 PolarHBondContact O-OG 2.57Å
381Y98.7Very high98.2Very high50 Ų5056.6 Ų56.620%0.19629%0.29CS..EExtended strand (participates in β ladder)trans-124.5159.3-178.869-83.3000111.9E371 L374 K375 V379 V383 L407 G408 S410E371-Y381 HydrophobicContact CG-CE2 3.73Å; E371-Y381 PolarHBondContact OE2-OH 2.99Å; L374-Y381 HydrophobicContact CB-CD1 3.65Å; L374-Y381 HydrophobicContact CB-CE1 3.92Å; L374-Y381 HydrophobicContact CB-CG 4.31Å; L374-Y381 HydrophobicContact CD1-CD1 3.9Å; L374-Y381 HydrophobicContact CD1-CD2 4.15Å; L374-Y381 HydrophobicContact CD1-CG 3.68Å; L374-Y381 HydrophobicContact CG-CD1 4.43Å; K375-Y381 WeakPolarHBondContact CE-OH 3.29Å; K375-Y381 HydrophobicContact CG-CE1 4.17Å; V379-Y381 WeakPolarHBondContact O-CD1 3.45Å; V379-Y381 PolarHBondContact O-N 2.81Å; Y381-V383 HydrophobicContact CD2-CG2 3.74Å; Y381-V383 HydrophobicContact CE2-CG2 3.42Å; Y381-V383 VanDerWaalsContact CE2-CG2 3.42Å; Y381-L407 HydrophobicContact CD2-CD2 4Å; Y381-L407 HydrophobicContact CE2-CD2 4.04Å; Y381-G408 CarbonylContact C-O 3.59Å; Y381-G408 WeakPolarHBondContact CA-O 3.49Å; Y381-G408 WeakPolarHBondContact CB-O 3.41Å; Y381-S410 WeakPolarHBondContact CA-OG 3.46Å; Y381-S410 PolarHBondContact N-OG 2.91Å; Y381-S410 PolarHBondContact O-OG 2.91Å
382K98.5Very high98Very high54 Ų5459.6 Ų59.624%0.23531%0.313CS..EExtended strand (participates in β ladder)trans-115156.6170.961.8-169.1-174.4164.30109.7L407 G408 D413 A460 F461K382-L407 WeakPolarHBondContact O-CA 3.48Å; K382-G408 PolarHBondContact N-O 3.2Å; K382-G408 PolarHBondContact O-N 2.94Å; K382-D413 WeakPolarHBondContact CE-OD1 3.41Å; K382-D413 IonicContact NZ-OD1 2.77Å; K382-D413 PolarHBondContact NZ-OD1 2.89Å; K382-A460 WeakPolarHBondContact CD-O 3.23Å; K382-A460 WeakPolarHBondContact CE-O 3.3Å; K382-A460 PolarHBondContact NZ-O 2.83Å; K382-A460 VanDerWaalsContact NZ-O 3.12Å; K382-F461 PolarHBondContact NZ-O 2.7Å; K382-F461 VanDerWaalsContact NZ-O 3.13Å
383V98.7Very high97.9Very high51 Ų5165.6 Ų65.631%0.30933%0.334SS..EExtended strand (participates in β ladder)trans-124.3131.5-171.4-173.20000110Y381 K385 K405 I406 L407Y381-V383 HydrophobicContact CD2-CG2 3.74Å; Y381-V383 HydrophobicContact CE2-CG2 3.42Å; Y381-V383 VanDerWaalsContact CE2-CG2 3.42Å; V383-K385 HydrophobicContact CG1-CD 4.42Å; V383-K385 HydrophobicContact CG1-CG 4.1Å; V383-K405 HydrophobicContact CG1-CG 4.31Å; V383-I406 WeakPolarHBondContact CA-O 3.31Å; V383-L407 HydrophobicContact CB-CD2 4.44Å; V383-L407 HydrophobicContact CG1-CD2 4.15Å; V383-L407 HydrophobicContact CG2-CD2 3.84Å
384G98.3Very high97.8Very high0 Ų062.8 Ų62.80%032%0.321CS..EExtended strand (participates in β ladder)trans-121.1141.8166.600000110.8K405 I406 A456G384-K405 CarbonylContact O-C 3.5Å; G384-K405 VanDerWaalsContact O-CA 3.31Å; G384-K405 WeakPolarHBondContact O-CA 3.34Å; G384-I406 PolarHBondContact N-O 3.47Å; G384-I406 PolarHBondContact O-N 3.19Å; G384-A456 WeakPolarHBondContact CA-O 3.34Å
385K98Very high97.6Very high58 Ų5869.5 Ų69.525%0.25235%0.35SS..EExtended strand (participates in β ladder)trans-141132.2-177.3-64.2177.8-168.1169.80110.7E221 V383 V404 K405 Q459E221-K385 IonicContact OE1-NZ 2.65Å; E221-K385 PolarHBondContact OE1-NZ 3.35Å; E221-K385 WeakPolarHBondContact OE2-CE 3.06Å; E221-K385 IonicContact OE2-NZ 2.83Å; E221-K385 PolarHBondContact OE2-NZ 3.12Å; V383-K385 HydrophobicContact CG1-CD 4.42Å; V383-K385 HydrophobicContact CG1-CG 4.1Å; K385-V404 CarbonylContact C-O 3.58Å; K385-V404 WeakPolarHBondContact CA-O 3.41Å; K385-K405 HydrophobicContact CG-CB 4.16Å; K385-K405 HydrophobicContact CG-CG 4.08Å; K385-Q459 PolarHBondContact O-OE1 2.96Å
386F98Very high97.4Very high3 Ų368.1 Ų68.11%0.01336%0.36CS..EExtended strand (participates in β ladder)trans-132119.1174-170.6-96.7000110.8A390 N391 F403 V404 A452 E455 A456 A465 N467 F468F386-A390 HydrophobicContact CE1-CB 4.07Å; F386-A390 HydrophobicContact CE2-CB 4.04Å; F386-A390 HydrophobicContact CZ-CB 3.6Å; F386-N391 HydrophobicContact CE1-CB 4.12Å; F386-F403 CarbonylContact O-C 3.53Å; F386-F403 VanDerWaalsContact O-CA 3.28Å; F386-F403 WeakPolarHBondContact O-CA 3.37Å; F386-F403 WeakPolarHBondContact O-CB 3.35Å; F386-V404 PolarHBondContact N-O 3.17Å; F386-V404 PolarHBondContact O-N 3.19Å; F386-A452 HydrophobicContact CD1-CB 3.91Å; F386-A452 HydrophobicContact CE1-CB 4.32Å; F386-E455 HydrophobicContact CB-CB 3.91Å; F386-E455 HydrophobicContact CD1-CB 3.99Å; F386-E455 HydrophobicContact CD2-CB 3.25Å; F386-E455 HydrophobicContact CD2-CG 3.93Å; F386-E455 HydrophobicContact CE1-CB 4.3Å; F386-E455 HydrophobicContact CE1-CG 4.4Å; F386-E455 HydrophobicContact CE2-CB 3.6Å; F386-E455 HydrophobicContact CE2-CG 3.7Å; F386-E455 HydrophobicContact CG-CB 3.43Å; F386-E455 VanDerWaalsContact CG-CB 3.43Å; F386-E455 HydrophobicContact CG-CG 4.32Å; F386-E455 HydrophobicContact CZ-CB 4.12Å; F386-E455 HydrophobicContact CZ-CG 3.96Å; F386-A456 HydrophobicContact CB-CB 3.98Å; F386-A465 HydrophobicContact CD2-CB 4.05Å; F386-A465 HydrophobicContact CE2-CB 4.4Å; F386-N467 HydrophobicContact CE2-CB 4Å; F386-N467 HydrophobicContact CZ-CB 3.95Å; F386-F468 HydrophobicContact CD2-CB 3.69Å; F386-F468 HydrophobicContact CD2-CG 4.48Å; F386-F468 HydrophobicContact CE2-CB 3.5Å; F386-F468 VanDerWaalsContact CE2-CB 3.5Å
387P98Very high97.2Very high25 Ų2563 Ų6316%0.16234%0.34CS..EExtended strand (participates in β ladder)trans-77.2142.5-178.231.1-33.5000112.1L389 A390 F468P387-L389 HydrophobicContact CB-CB 4.49Å; P387-L389 PolarHBondContact O-N 2.94Å; P387-A390 HydrophobicContact CG-CB 4.06Å; P387-A390 PolarHBondContact O-N 3.45Å; P387-F468 HydrophobicContact CG-CD1 4.12Å; P387-F468 HydrophobicContact CG-CD2 3.62Å; P387-F468 HydrophobicContact CG-CE1 4Å; P387-F468 HydrophobicContact CG-CE2 3.5Å; P387-F468 VanDerWaalsContact CG-CE2 3.5Å; P387-F468 HydrophobicContact CG-CG 3.95Å; P387-F468 HydrophobicContact CG-CZ 3.7Å
388F97.9Very high97Very high4 Ų462.6 Ų62.62%0.01834%0.341CS..G310 helixtrans-64.2-23175.1-80.6-73.7000112.8A390 N391 A394 G402 V404 I420 I421 P423 M428 A452F388-A390 PolarHBondContact O-N 3.25Å; F388-N391 HydrophobicContact CD1-CB 4.3Å; F388-N391 WeakPolarHBondContact O-CB 3.34Å; F388-N391 PolarHBondContact O-N 2.97Å; F388-A394 HydrophobicContact CB-CB 4.08Å; F388-A394 HydrophobicContact CD1-CB 4.09Å; F388-A394 VanDerWaalsContact O-CB 3.24Å; F388-A394 WeakPolarHBondContact O-CB 3.49Å; F388-G402 PolarHBondContact N-O 2.65Å; F388-V404 HydrophobicContact CE2-CG2 4.2Å; F388-V404 HydrophobicContact CZ-CG2 4.02Å; F388-I420 HydrophobicContact CE2-CG2 4.05Å; F388-I420 HydrophobicContact CZ-CG2 4.16Å; F388-I421 WeakPolarHBondContact CD2-O 3.45Å; F388-I421 WeakPolarHBondContact CE2-O 3.43Å; F388-P423 HydrophobicContact CD1-CG 3.71Å; F388-P423 HydrophobicContact CE1-CG 3.85Å; F388-P423 HydrophobicContact CG-CG 4.08Å; F388-P423 HydrophobicContact CZ-CG 4.33Å; F388-M428 HydrophobicContact CE1-CE 3.97Å; F388-M428 HydrophobicContact CZ-CE 3.88Å; F388-M428 HydrophobicContact CZ-SD 4.24Å; F388-A452 HydrophobicContact CD1-CB 4.36Å; F388-A452 HydrophobicContact CE1-CB 3.94Å; F388-A452 HydrophobicContact CZ-CB 4.48Å
389L96.6Very high96.8Very high104 Ų10460.5 Ų60.555%0.54532%0.315SS..G310 helixtrans-55.2-30.3169.2179.765000113.7P387 I400P387-L389 HydrophobicContact CB-CB 4.49Å; P387-L389 PolarHBondContact O-N 2.94Å; L389-I400 HydrophobicContact CD1-CB 4.3Å; L389-I400 HydrophobicContact CD1-CD1 3.68Å; L389-I400 HydrophobicContact CD1-CG2 4.47Å; L389-I400 PolarHBondContact N-O 3.45Å
390A96.7Very high96.7Very high29 Ų2961 Ų6124%0.2432%0.316CS..G310 helixtrans-92.8-5.1177.600000113.1F386 P387 F388 F468F386-A390 HydrophobicContact CE1-CB 4.07Å; F386-A390 HydrophobicContact CE2-CB 4.04Å; F386-A390 HydrophobicContact CZ-CB 3.6Å; P387-A390 HydrophobicContact CG-CB 4.06Å; P387-A390 PolarHBondContact O-N 3.45Å; F388-A390 PolarHBondContact O-N 3.25Å; A390-F468 HydrophobicContact CB-CB 4.24Å; A390-F468 HydrophobicContact CB-CD2 4.1Å; A390-F468 HydrophobicContact CB-CG 4.5Å
391N97Very high96.7Very high15 Ų1554.9 Ų54.98%0.0829%0.291CS..  trans-83.3128.7175.4176.8-98.6000111F386 F388 R393 A394 K395 E451 A452F386-N391 HydrophobicContact CE1-CB 4.12Å; F388-N391 HydrophobicContact CD1-CB 4.3Å; F388-N391 WeakPolarHBondContact O-CB 3.34Å; F388-N391 PolarHBondContact O-N 2.97Å; N391-R393 PolarHBondContact O-N 3.42Å; N391-R393 WeakPolarHBondContact OD1-CB 3.41Å; N391-R393 PolarHBondContact OD1-N 3.19Å; N391-R393 VanDerWaalsContact OD1-N 3.11Å; N391-A394 HydrophobicContact CB-CB 3.95Å; N391-A394 PolarHBondContact O-N 3.33Å; N391-A394 PolarHBondContact OD1-N 3.13Å; N391-K395 WeakPolarHBondContact O-CB 3.5Å; N391-K395 PolarHBondContact O-N 2.97Å; N391-E451 PolarHBondContact ND2-OE1 3.28Å; N391-A452 HydrophobicContact CB-CB 4.45Å
392S95.3Very high96.7Very high84 Ų8453.3 Ų53.359%0.58729%0.29SS*.Hα-helixtrans-59.1-43.9-177.6-63.40000113K395 A396S392-K395 PolarHBondContact O-N 3.25Å; S392-A396 WeakPolarHBondContact O-CB 3.39Å; S392-A396 PolarHBondContact O-N 2.87Å
393R96Very high96.7Very high174 Ų17451.7 Ų51.766%0.65728%0.283SS*.Hα-helixtrans-67.5-48.9-179.7-177.9-179.5178.8-177.9-0.6111.6N391 K395 A396 V397N391-R393 PolarHBondContact O-N 3.42Å; N391-R393 WeakPolarHBondContact OD1-CB 3.41Å; N391-R393 PolarHBondContact OD1-N 3.19Å; N391-R393 VanDerWaalsContact OD1-N 3.11Å; R393-K395 PolarHBondContact O-N 3.48Å; R393-A396 WeakPolarHBondContact O-CB 3.13Å; R393-A396 PolarHBondContact O-N 2.95Å; R393-A396 VanDerWaalsContact O-N 3.08Å; R393-V397 WeakPolarHBondContact O-CG2 3.29Å; R393-V397 PolarHBondContact O-N 3.45Å; R393-V397 VanDerWaalsContact O-N 3.09Å
394A96.2Very high96.7Very high2 Ų249.3 Ų49.32%0.01727%0.268CS..Hα-helixtrans-54.2-43.3176.200000111.4F388 N391 V397 N398 D399 P423F388-A394 HydrophobicContact CB-CB 4.08Å; F388-A394 HydrophobicContact CD1-CB 4.09Å; F388-A394 VanDerWaalsContact O-CB 3.24Å; F388-A394 WeakPolarHBondContact O-CB 3.49Å; N391-A394 HydrophobicContact CB-CB 3.95Å; N391-A394 PolarHBondContact O-N 3.33Å; N391-A394 PolarHBondContact OD1-N 3.13Å; A394-V397 PolarHBondContact O-N 3.15Å; A394-N398 PolarHBondContact O-N 3.29Å; A394-D399 VanDerWaalsContact CB-O 3.28Å; A394-D399 WeakPolarHBondContact CB-O 3.4Å; A394-D399 PolarHBondContact O-N 2.89Å; A394-P423 HydrophobicContact CB-CG 4.46Å
395K95.2Very high96.7Very high144 Ų14449.3 Ų49.363%0.62627%0.269SS*.Hα-helixtrans-66.7-40.3175.7-166.3166.4-175.6173.10113.1N391 S392 R393 V397 N398 I400N391-K395 WeakPolarHBondContact O-CB 3.5Å; N391-K395 PolarHBondContact O-N 2.97Å; S392-K395 PolarHBondContact O-N 3.25Å; R393-K395 PolarHBondContact O-N 3.48Å; K395-V397 VanDerWaalsContact C-N 3.28Å; K395-V397 PolarHBondContact O-N 3.36Å; K395-N398 PolarHBondContact O-N 3.08Å; K395-I400 HydrophobicContact CB-CG2 4.42Å
396A95.3Very high96.7Very high83 Ų8346.6 Ų46.669%0.68626%0.257SS*.Hα-helixtrans-64.3-31.3178.900000113.2S392 R393S392-A396 WeakPolarHBondContact O-CB 3.39Å; S392-A396 PolarHBondContact O-N 2.87Å; R393-A396 WeakPolarHBondContact O-CB 3.13Å; R393-A396 PolarHBondContact O-N 2.95Å; R393-A396 VanDerWaalsContact O-N 3.08Å
397V93.6Very high96.8Very high60 Ų6046.4 Ų46.436%0.36426%0.256SS..THydrogen-bonded Turntrans-1017.1177.4-53.90000113.3Y71 R393 A394 K395 D399Y71-V397 WeakPolarHBondContact CE2-O 3.32Å; Y71-V397 PolarHBondContact OH-O 3Å; R393-V397 WeakPolarHBondContact O-CG2 3.29Å; R393-V397 PolarHBondContact O-N 3.45Å; R393-V397 VanDerWaalsContact O-N 3.09Å; A394-V397 PolarHBondContact O-N 3.15Å; K395-V397 VanDerWaalsContact C-N 3.28Å; K395-V397 PolarHBondContact O-N 3.36Å; V397-D399 HydrophobicContact CG2-CB 3.78Å; V397-D399 PolarHBondContact O-N 3.4Å
398N93.2Very high96.8Very high97 Ų9745.2 Ų45.252%0.51925%0.248SC..THydrogen-bonded Turntrans5337.9-178.3-165.639.3000114.1Y71 A394 K395Y71-N398 HydrophobicContact CE2-CB 4.42Å; A394-N398 PolarHBondContact O-N 3.29Å; K395-N398 PolarHBondContact O-N 3.08Å
399D95.1Very high96.8Very high18 Ų1846.6 Ų46.610%0.09626%0.256CS..  trans-121.273.7178.1-167.5-3.8000108.8R62 H361 A394 V397 P423R62-D399 IonicContact NH2-OD2 3.45Å; H361-D399 IonicContact CE1-OD1 2.7Å; H361-D399 PolarHBondContact CE1-OD1 2.9Å; H361-D399 IonicContact CE1-OD2 3.03Å; H361-D399 PolarHBondContact CE1-OD2 3.07Å; H361-D399 VanDerWaalsContact CE1-OD2 3.23Å; H361-D399 IonicContact NE2-OD1 2.73Å; A394-D399 VanDerWaalsContact CB-O 3.28Å; A394-D399 WeakPolarHBondContact CB-O 3.4Å; A394-D399 PolarHBondContact O-N 2.89Å; V397-D399 HydrophobicContact CG2-CB 3.78Å; V397-D399 PolarHBondContact O-N 3.4Å; D399-P423 HydrophobicContact CB-CB 4.49Å
400I96.9Very high96.9Very high56 Ų5644.7 Ų44.729%0.28725%0.251SS..  trans-105.81.8-162.752.7161.2000114.1L389 K395L389-I400 HydrophobicContact CD1-CB 4.3Å; L389-I400 HydrophobicContact CD1-CD1 3.68Å; L389-I400 HydrophobicContact CD1-CG2 4.47Å; L389-I400 PolarHBondContact N-O 3.45Å; K395-I400 HydrophobicContact CB-CG2 4.42Å
401D97.8Very high96.9Very high42 Ų4252.6 Ų52.623%0.22528%0.28CS..  trans-72.4136.5-174.5-88.6-33000111.8I229 R232 P362 G422I229-D401 HydrophobicContact CD1-CB 4.13Å; R232-D401 IonicContact CZ-OD1 3.59Å; R232-D401 IonicContact CZ-OD2 2.74Å; R232-D401 IonicContact NH1-OD1 3.97Å; R232-D401 IonicContact NH2-OD1 2.78Å; R232-D401 PolarHBondContact NH2-OD1 3.44Å; R232-D401 IonicContact NH2-OD2 2.68Å; R232-D401 PolarHBondContact NH2-OD2 2.88Å; P362-D401 HydrophobicContact CG-CB 4.23Å; D401-G422 VanDerWaalsContact O-CA 3.24Å; D401-G422 WeakPolarHBondContact O-CA 3.25Å
402G98.3Very high97Very high17 Ų1756.2 Ų56.218%0.17530%0.303CS..  trans89-161.3171.900000115.4F388 I421F388-G402 PolarHBondContact N-O 2.65Å; G402-I421 CarbonylContact C-O 3.46Å; G402-I421 VanDerWaalsContact C-O 3.31Å; G402-I421 WeakPolarHBondContact CA-O 3.3Å
403F98.5Very high97.1Very high20 Ų2053 Ų539%0.08828%0.279CS..EExtended strand (participates in β ladder)trans-161.5162.7-171.855.5-92.3000111.5E221 V222 N225 F386 K405 I421E221-F403 HydrophobicContact CG-CZ 4.1Å; V222-F403 HydrophobicContact CG2-CE2 3.9Å; V222-F403 HydrophobicContact CG2-CZ 4Å; N225-F403 HydrophobicContact CB-CE1 3.92Å; F386-F403 CarbonylContact O-C 3.53Å; F386-F403 VanDerWaalsContact O-CA 3.28Å; F386-F403 WeakPolarHBondContact O-CA 3.37Å; F386-F403 WeakPolarHBondContact O-CB 3.35Å; F403-K405 HydrophobicContact CD2-CB 3.92Å; F403-K405 HydrophobicContact CE2-CB 3.81Å; F403-K405 HydrophobicContact CE2-CD 4.27Å; F403-I421 HydrophobicContact CD1-CG2 3.98Å; F403-I421 HydrophobicContact CD2-CG2 4.45Å; F403-I421 HydrophobicContact CE1-CG2 3.85Å; F403-I421 HydrophobicContact CE2-CG2 4.33Å; F403-I421 HydrophobicContact CG-CG2 4.28Å; F403-I421 HydrophobicContact CZ-CG2 4.04Å; F403-I421 PolarHBondContact N-O 3.05Å; F403-I421 PolarHBondContact O-N 3.02Å
404V98.6Very high97.2Very high0 Ų050.5 Ų50.50%027%0.269CS..EExtended strand (participates in β ladder)trans-95.1137.8160.9179.40000108.6K385 F386 F388 I406 I420 M428 A452 F453 A456K385-V404 CarbonylContact C-O 3.58Å; K385-V404 WeakPolarHBondContact CA-O 3.41Å; F386-V404 PolarHBondContact N-O 3.17Å; F386-V404 PolarHBondContact O-N 3.19Å; F388-V404 HydrophobicContact CE2-CG2 4.2Å; F388-V404 HydrophobicContact CZ-CG2 4.02Å; V404-I406 HydrophobicContact CG1-CD1 4.01Å; V404-I406 HydrophobicContact CG1-CG1 4.21Å; V404-I420 HydrophobicContact CG1-CG1 4.31Å; V404-I420 HydrophobicContact CG2-CG1 4.42Å; V404-I420 HydrophobicContact CG2-CG2 4.12Å; V404-M428 HydrophobicContact CG2-SD 3.92Å; V404-A452 HydrophobicContact CG2-CB 4.08Å; V404-F453 HydrophobicContact CG1-CD2 3.84Å; V404-F453 HydrophobicContact CG1-CE2 4.49Å; V404-A456 HydrophobicContact CB-CB 3.89Å; V404-A456 HydrophobicContact CG1-CB 3.61Å
405K98.8Very high97.4Very high1 Ų150.5 Ų50.50%0.00427%0.269CS..EExtended strand (participates in β ladder)trans-129.6128.4175.3173.4179.4177.4174.80110.2D219 E221 E371 V383 G384 K385 F403 H419D219-K405 IonicContact OD1-NZ 2.88Å; D219-K405 PolarHBondContact OD1-NZ 3.35Å; D219-K405 WeakPolarHBondContact OD2-CE 3.36Å; D219-K405 IonicContact OD2-NZ 2.6Å; D219-K405 PolarHBondContact OD2-NZ 3.3Å; E221-K405 WeakPolarHBondContact OE2-CE 3.35Å; E221-K405 IonicContact OE2-NZ 2.68Å; E221-K405 PolarHBondContact OE2-NZ 3.05Å; E371-K405 VanDerWaalsContact CD-NZ 3.34Å; E371-K405 WeakPolarHBondContact OE1-CE 3.44Å; E371-K405 IonicContact OE1-NZ 2.86Å; E371-K405 PolarHBondContact OE1-NZ 2.82Å; V383-K405 HydrophobicContact CG1-CG 4.31Å; G384-K405 CarbonylContact O-C 3.5Å; G384-K405 VanDerWaalsContact O-CA 3.31Å; G384-K405 WeakPolarHBondContact O-CA 3.34Å; K385-K405 HydrophobicContact CG-CB 4.16Å; K385-K405 HydrophobicContact CG-CG 4.08Å; F403-K405 HydrophobicContact CD2-CB 3.92Å; F403-K405 HydrophobicContact CE2-CB 3.81Å; F403-K405 HydrophobicContact CE2-CD 4.27Å; K405-H419 HydrophobicContact CB-CB 4.33Å; K405-H419 PolarHBondContact N-O 3.35Å; K405-H419 PolarHBondContact O-N 3.49Å
406I98.7Very high97.5Very high0 Ų045.1 Ų45.10%025%0.247CC..EExtended strand (participates in β ladder)trans-120.4136-178.7-56.1-62.8000109.3V383 G384 V404 I415 A418 F453 A456 A460V383-I406 WeakPolarHBondContact CA-O 3.31Å; G384-I406 PolarHBondContact N-O 3.47Å; G384-I406 PolarHBondContact O-N 3.19Å; V404-I406 HydrophobicContact CG1-CD1 4.01Å; V404-I406 HydrophobicContact CG1-CG1 4.21Å; I406-I415 HydrophobicContact CG2-CG1 4.47Å; I406-I415 HydrophobicContact CG2-CG2 4.49Å; I406-A418 HydrophobicContact CD1-CB 3.74Å; I406-F453 HydrophobicContact CD1-CD2 4.08Å; I406-F453 HydrophobicContact CD1-CE2 3.5Å; I406-F453 VanDerWaalsContact CD1-CE2 3.5Å; I406-F453 HydrophobicContact CD1-CZ 4.03Å; I406-A456 HydrophobicContact CG1-CB 3.73Å; I406-A460 HydrophobicContact CB-CB 4.4Å; I406-A460 HydrophobicContact CG2-CB 4.27Å
407L98.9Very high97.7Very high0 Ų041.1 Ų41.10%021%0.214CC..EExtended strand (participates in β ladder)trans-111.6119.3173.4-52-179.8000108K369 E371 L374 Y381 K382 V383 L416 G417K369-L407 WeakPolarHBondContact O-CD1 3.43Å; E371-L407 HydrophobicContact CB-CD1 4.43Å; E371-L407 HydrophobicContact CG-CD1 3.82Å; E371-L407 HydrophobicContact CG-CD2 3.57Å; E371-L407 HydrophobicContact CG-CG 4.37Å; L374-L407 HydrophobicContact CD1-CB 3.94Å; L374-L407 HydrophobicContact CD1-CD1 3.78Å; L374-L407 HydrophobicContact CD1-CG 4.45Å; Y381-L407 HydrophobicContact CD2-CD2 4Å; Y381-L407 HydrophobicContact CE2-CD2 4.04Å; K382-L407 WeakPolarHBondContact O-CA 3.48Å; V383-L407 HydrophobicContact CB-CD2 4.44Å; V383-L407 HydrophobicContact CG1-CD2 4.15Å; V383-L407 HydrophobicContact CG2-CD2 3.84Å; L407-L416 PolarHBondContact O-N 3.39Å; L407-G417 PolarHBondContact N-O 2.82Å; L407-G417 PolarHBondContact O-N 3.09Å
408G98.6Very high97.9Very high0 Ų038.3 Ų38.30%020%0.197CC..EExtended strand (participates in β ladder)trans-116.9149.4178.300000111.7Y381 K382 S410 R414Y381-G408 CarbonylContact C-O 3.59Å; Y381-G408 WeakPolarHBondContact CA-O 3.49Å; Y381-G408 WeakPolarHBondContact CB-O 3.41Å; K382-G408 PolarHBondContact N-O 3.2Å; K382-G408 PolarHBondContact O-N 2.94Å; G408-S410 PolarHBondContact O-N 3.29Å; G408-R414 CarbonylContact C-O 3.51Å; G408-R414 WeakPolarHBondContact CA-O 3.33Å
409D98.6Very high98.2Very high33 Ų3333.8 Ų33.818%0.17617%0.173CC..EExtended strand (participates in β ladder)trans-64.3132.6172.5-178.2-95.8000110.2K411 T412 D413 R414 L416D409-K411 PolarHBondContact O-N 2.87Å; D409-K411 WeakPolarHBondContact OD1-CA 3.49Å; D409-K411 WeakPolarHBondContact OD1-CB 3.29Å; D409-K411 PolarHBondContact OD1-N 3.06Å; D409-T412 WeakPolarHBondContact CB-OG1 3.49Å; D409-T412 VanDerWaalsContact CG-OG1 3.28Å; D409-T412 PolarHBondContact OD1-N 2.83Å; D409-T412 PolarHBondContact OD1-OG1 3.08Å; D409-D413 WeakPolarHBondContact O-CA 3.45Å; D409-D413 PolarHBondContact O-N 2.85Å; D409-R414 HydrophobicContact CB-CB 4.41Å; D409-R414 PolarHBondContact N-O 3.05Å; D409-L416 HydrophobicContact CB-CD1 4.07Å; D409-L416 HydrophobicContact CB-CD2 4.28Å; D409-L416 HydrophobicContact CB-CG 4.23Å
410S98Very high98.4Very high64 Ų6432.9 Ų32.945%0.44817%0.168SC..THydrogen-bonded Turntrans-68.9-20.4-174.1-62.20000113.7K380 Y381 G408K380-S410 WeakPolarHBondContact O-CB 3.35Å; K380-S410 PolarHBondContact O-N 3.33Å; K380-S410 PolarHBondContact O-OG 2.57Å; Y381-S410 WeakPolarHBondContact CA-OG 3.46Å; Y381-S410 PolarHBondContact N-OG 2.91Å; Y381-S410 PolarHBondContact O-OG 2.91Å; G408-S410 PolarHBondContact O-N 3.29Å
411K97.3Very high98.5Very high195 Ų19530.2 Ų30.285%0.84816%0.155SC*.THydrogen-bonded Turntrans-103.2-41-174.7-176.2-177.5177.7-173.20112.2D409D409-K411 PolarHBondContact O-N 2.87Å; D409-K411 WeakPolarHBondContact OD1-CA 3.49Å; D409-K411 WeakPolarHBondContact OD1-CB 3.29Å; D409-K411 PolarHBondContact OD1-N 3.06Å
412T98.2Very high98.5Very high90 Ų9028.2 Ų28.255%0.55214%0.144SC*.THydrogen-bonded Turntrans-105.7-9.3-171.964.10000113.4D409 R414D409-T412 WeakPolarHBondContact CB-OG1 3.49Å; D409-T412 VanDerWaalsContact CG-OG1 3.28Å; D409-T412 PolarHBondContact OD1-N 2.83Å; D409-T412 PolarHBondContact OD1-OG1 3.08Å; T412-R414 PolarHBondContact O-N 2.88Å; T412-R414 VanDerWaalsContact O-N 3.1Å
413D98.2Very high98.4Very high17 Ų1728.2 Ų28.29%0.09114%0.14CC..  trans643-174.9-161.650.1000114.9K382 D409 I415 S441 C442 E443 F461K382-D413 WeakPolarHBondContact CE-OD1 3.41Å; K382-D413 IonicContact NZ-OD1 2.77Å; K382-D413 PolarHBondContact NZ-OD1 2.89Å; D409-D413 WeakPolarHBondContact O-CA 3.45Å; D409-D413 PolarHBondContact O-N 2.85Å; D413-I415 PolarHBondContact O-N 2.85Å; D413-S441 CarbonylContact O-C 3.56Å; D413-S441 WeakPolarHBondContact O-CA 3.29Å; D413-S441 WeakPolarHBondContact OD2-CB 3.27Å; D413-C442 PolarHBondContact O-N 3.07Å; D413-C442 WeakPolarHBondContact OD1-CB 3.41Å; D413-C442 PolarHBondContact OD2-N 3.22Å; D413-E443 WeakPolarHBondContact OD2-CB 3.29Å; D413-E443 PolarHBondContact OD2-N 3.26Å; D413-F461 WeakPolarHBondContact OD2-CD2 3.38Å
414R98.4Very high98.3Very high121 Ų12131 Ų3146%0.45716%0.156SC..BIsolated β-bridgetrans-58.8134.1177.6-172.3178.5176.9173.82.6110.8G408 D409 T412 L416G408-R414 CarbonylContact C-O 3.51Å; G408-R414 WeakPolarHBondContact CA-O 3.33Å; D409-R414 HydrophobicContact CB-CB 4.41Å; D409-R414 PolarHBondContact N-O 3.05Å; T412-R414 PolarHBondContact O-N 2.88Å; T412-R414 VanDerWaalsContact O-N 3.1Å; R414-L416 PolarHBondContact O-N 3.03Å
415I98.6Very high98.2Very high2 Ų231 Ų311%0.0116%0.156CC..EExtended strand (participates in β ladder)trans-64.7129.5172.1-62.8171.8000108.8I406 D413 A435 L436 A440 I445 N457I406-I415 HydrophobicContact CG2-CG1 4.47Å; I406-I415 HydrophobicContact CG2-CG2 4.49Å; D413-I415 PolarHBondContact O-N 2.85Å; I415-A435 HydrophobicContact CD1-CB 4.1Å; I415-L436 HydrophobicContact CB-CD2 4.4Å; I415-L436 HydrophobicContact CG2-CD2 3.98Å; I415-L436 HydrophobicContact CG2-CG 4.33Å; I415-L436 VanDerWaalsContact O-CD2 3.25Å; I415-L436 WeakPolarHBondContact O-CD2 3.4Å; I415-A440 PolarHBondContact N-O 2.98Å; I415-I445 HydrophobicContact CD1-CG1 3.59Å; I415-N457 WeakPolarHBondContact CD1-OD1 3.21Å
416L98.8Very high98.2Very high31 Ų3131.6 Ų31.616%0.16216%0.163CC..EExtended strand (participates in β ladder)trans-107.3-26.5178.4-59.4179.4000112K369 L374 V379 L407 D409 R414K369-L416 PolarHBondContact N-O 3.32Å; L374-L416 HydrophobicContact CD1-CB 4.14Å; L374-L416 HydrophobicContact CD1-CD1 3.99Å; L374-L416 HydrophobicContact CD2-CB 4.35Å; L374-L416 HydrophobicContact CD2-CD1 4.03Å; V379-L416 HydrophobicContact CG1-CD1 3.83Å; L407-L416 PolarHBondContact O-N 3.39Å; D409-L416 HydrophobicContact CB-CD1 4.07Å; D409-L416 HydrophobicContact CB-CD2 4.28Å; D409-L416 HydrophobicContact CB-CG 4.23Å; R414-L416 PolarHBondContact O-N 3.03Å
417G98.8Very high98.1Very high0 Ų038.8 Ų38.80%020%0.197CC..EExtended strand (participates in β ladder)trans-170.7152.2175.600000112.9V367 L407V367-G417 WeakPolarHBondContact O-CA 3.32Å; L407-G417 PolarHBondContact N-O 2.82Å; L407-G417 PolarHBondContact O-N 3.09Å
418A98.8Very high98Very high0 Ų041 Ų410%021%0.207CC..EExtended strand (participates in β ladder)trans-131.6131.4177.200000109.6W366 V367 I406 A432 F453W366-A418 CarbonylContact C-O 3.31Å; W366-A418 WeakPolarHBondContact CA-O 3.31Å; V367-A418 HydrophobicContact CG1-CB 4.25Å; V367-A418 PolarHBondContact N-O 2.93Å; V367-A418 PolarHBondContact O-N 3.13Å; I406-A418 HydrophobicContact CD1-CB 3.74Å; A418-A432 HydrophobicContact CB-CB 3.53Å; A418-F453 HydrophobicContact CB-CE2 4.06Å; A418-F453 HydrophobicContact CB-CZ 4.49Å
419H98.9Very high98Very high2 Ų241.1 Ų41.11%0.00921%0.208CC..EExtended strand (participates in β ladder)trans-135.2123.7-173.5-53.2-90.2000109.2D219 V222 W366 K369 K405D219-H419 HydrophobicContact CB-CB 4.39Å; V222-H419 HydrophobicContact CG2-CB 3.87Å; W366-H419 HydrophobicContact CB-CB 4.45Å; W366-H419 WeakPolarHBondContact CB-ND1 3.38Å; K369-H419 PolarHBondContact O-CE1 3.41Å; K369-H419 PolarHBondContact O-NE2 3.18Å; K405-H419 HydrophobicContact CB-CB 4.33Å; K405-H419 PolarHBondContact N-O 3.35Å; K405-H419 PolarHBondContact O-N 3.49Å
420I98.8Very high97.9Very high0 Ų042 Ų420%022%0.22CC..EExtended strand (participates in β ladder)trans-129.1128.3-171-49.7172.8000108.2V364 A365 F388 V404 A425 M428 I429 F453V364-I420 CarbonylContact C-O 3.54Å; V364-I420 VanDerWaalsContact CA-O 3.31Å; V364-I420 WeakPolarHBondContact CA-O 3.43Å; A365-I420 PolarHBondContact N-O 3.37Å; A365-I420 PolarHBondContact O-N 3.26Å; F388-I420 HydrophobicContact CE2-CG2 4.05Å; F388-I420 HydrophobicContact CZ-CG2 4.16Å; V404-I420 HydrophobicContact CG1-CG1 4.31Å; V404-I420 HydrophobicContact CG2-CG1 4.42Å; V404-I420 HydrophobicContact CG2-CG2 4.12Å; I420-A425 HydrophobicContact CB-CB 4Å; I420-A425 HydrophobicContact CG2-CB 3.59Å; I420-M428 HydrophobicContact CD1-CB 3.96Å; I420-M428 HydrophobicContact CD1-CG 3.79Å; I420-M428 HydrophobicContact CD1-SD 3.98Å; I420-M428 HydrophobicContact CG2-SD 4.32Å; I420-I429 HydrophobicContact CD1-CB 4.47Å; I420-I429 HydrophobicContact CD1-CD1 3.86Å; I420-I429 HydrophobicContact CG1-CD1 4.27Å; I420-F453 HydrophobicContact CD1-CD2 4.44Å
421I98.8Very high97.9Very high0 Ų041.6 Ų41.60%021%0.211CC..EExtended strand (participates in β ladder)trans-125.2120.9163.9173.9169.1000107.3V222 F226 I229 P362 E363 V364 F388 G402 F403V222-I421 HydrophobicContact CG1-CB 4.09Å; V222-I421 HydrophobicContact CG1-CG2 4.2Å; F226-I421 HydrophobicContact CB-CD1 3.74Å; F226-I421 HydrophobicContact CD2-CD1 4.16Å; F226-I421 HydrophobicContact CG-CD1 4.34Å; I229-I421 HydrophobicContact CD1-CD1 3.82Å; I229-I421 HydrophobicContact CD1-CG1 4.48Å; P362-I421 HydrophobicContact CB-CG1 4.28Å; P362-I421 HydrophobicContact CG-CD1 4.23Å; P362-I421 HydrophobicContact CG-CG1 3.88Å; E363-I421 WeakPolarHBondContact O-CA 3.49Å; V364-I421 HydrophobicContact CG2-CB 4.32Å; V364-I421 HydrophobicContact CG2-CD1 4.17Å; V364-I421 HydrophobicContact CG2-CG1 4.06Å; F388-I421 WeakPolarHBondContact CD2-O 3.45Å; F388-I421 WeakPolarHBondContact CE2-O 3.43Å; G402-I421 CarbonylContact C-O 3.46Å; G402-I421 VanDerWaalsContact C-O 3.31Å; G402-I421 WeakPolarHBondContact CA-O 3.3Å; F403-I421 HydrophobicContact CD1-CG2 3.98Å; F403-I421 HydrophobicContact CD2-CG2 4.45Å; F403-I421 HydrophobicContact CE1-CG2 3.85Å; F403-I421 HydrophobicContact CE2-CG2 4.33Å; F403-I421 HydrophobicContact CG-CG2 4.28Å; F403-I421 HydrophobicContact CZ-CG2 4.04Å; F403-I421 PolarHBondContact N-O 3.05Å; F403-I421 PolarHBondContact O-N 3.02Å
422G98.2Very high97.9Very high0 Ų032.4 Ų32.40%017%0.171CC..EExtended strand (participates in β ladder)trans156.2-164.6-179.700000114.6E363 D401E363-G422 PolarHBondContact N-O 3.03Å; E363-G422 VanDerWaalsContact N-O 3.11Å; E363-G422 PolarHBondContact O-N 3.34Å; D401-G422 VanDerWaalsContact O-CA 3.24Å; D401-G422 WeakPolarHBondContact O-CA 3.25Å
423P96.2Very high97.9Very high16 Ų1629.4 Ų29.410%0.10415%0.153CC..THydrogen-bonded Turntrans-62.5134.8175.225.4-34.8000111.4F388 A394 D399 A425F388-P423 HydrophobicContact CD1-CG 3.71Å; F388-P423 HydrophobicContact CE1-CG 3.85Å; F388-P423 HydrophobicContact CG-CG 4.08Å; F388-P423 HydrophobicContact CZ-CG 4.33Å; A394-P423 HydrophobicContact CB-CG 4.46Å; D399-P423 HydrophobicContact CB-CB 4.49Å; P423-A425 PolarHBondContact O-N 3.45Å; P423-A425 VanDerWaalsContact O-N 3.15Å
424N95.2Very high97.8Very high78 Ų7834 Ų3442%0.41718%0.176SC..THydrogen-bonded Turntrans56.229.2173-61.145.5000114E363 G426 E427 M428E363-N424 WeakPolarHBondContact OE2-CA 3.33Å; N424-G426 PolarHBondContact O-N 3.25Å; N424-E427 PolarHBondContact O-N 3.16Å; N424-M428 WeakPolarHBondContact O-CB 3.31Å; N424-M428 PolarHBondContact O-N 3.46Å
425A98.2Very high97.8Very high0 Ų028.5 Ų28.50%016%0.157CC..Hα-helixtrans-58.9-3717900000111.7E363 A365 I420 P423 E427 M428 I429E363-A425 HydrophobicContact CB-CB 3.73Å; E363-A425 PolarHBondContact OE2-N 3.29Å; E363-A425 VanDerWaalsContact OE2-N 3.08Å; A365-A425 HydrophobicContact CB-CB 3.95Å; A365-A425 VanDerWaalsContact CB-O 3.25Å; A365-A425 WeakPolarHBondContact CB-O 3.32Å; I420-A425 HydrophobicContact CB-CB 4Å; I420-A425 HydrophobicContact CG2-CB 3.59Å; P423-A425 PolarHBondContact O-N 3.45Å; P423-A425 VanDerWaalsContact O-N 3.15Å; A425-E427 VanDerWaalsContact C-N 3.3Å; A425-E427 PolarHBondContact O-N 3.39Å; A425-M428 PolarHBondContact O-N 3.29Å; A425-I429 WeakPolarHBondContact O-CB 3.31Å; A425-I429 PolarHBondContact O-N 3.26Å
426G97.7Very high97.8Very high14 Ų1428.7 Ų28.714%0.14416%0.158CC..Hα-helixtrans-64.1-30.3179.300000114.1E363 N424 I429E363-G426 PolarHBondContact OE2-N 2.97Å; N424-G426 PolarHBondContact O-N 3.25Å; G426-I429 WeakPolarHBondContact O-CG2 3.36Å
427E97.1Very high97.7Very high152 Ų15232.1 Ų32.171%0.7117%0.173SC*.Hα-helixtrans-87.2-41174.4-64.6-61.4146.400111.3N424 A425 I429 A430N424-E427 PolarHBondContact O-N 3.16Å; A425-E427 VanDerWaalsContact C-N 3.3Å; A425-E427 PolarHBondContact O-N 3.39Å; E427-I429 PolarHBondContact O-N 2.94Å; E427-A430 WeakPolarHBondContact O-CB 3.48Å; E427-A430 PolarHBondContact O-N 2.92Å
428M97Very high97.6Very high45 Ų4542 Ų4222%0.22221%0.211CC..Hα-helixtrans-62.5-30.7-178.5-170.1178.7-61.200112.3F388 V404 I420 N424 A425 A430 E431 F453F388-M428 HydrophobicContact CE1-CE 3.97Å; F388-M428 HydrophobicContact CZ-CE 3.88Å; F388-M428 HydrophobicContact CZ-SD 4.24Å; V404-M428 HydrophobicContact CG2-SD 3.92Å; I420-M428 HydrophobicContact CD1-CB 3.96Å; I420-M428 HydrophobicContact CD1-CG 3.79Å; I420-M428 HydrophobicContact CD1-SD 3.98Å; I420-M428 HydrophobicContact CG2-SD 4.32Å; N424-M428 WeakPolarHBondContact O-CB 3.31Å; N424-M428 PolarHBondContact O-N 3.46Å; A425-M428 PolarHBondContact O-N 3.29Å; M428-A430 PolarHBondContact O-N 2.94Å; M428-E431 PolarHBondContact O-N 3.46Å; M428-F453 HydrophobicContact CG-CB 4.48Å; M428-F453 HydrophobicContact SD-CB 4.18Å
429I98.2Very high97.6Very high4 Ų443.3 Ų43.32%0.02123%0.225CC..Hα-helixtrans-63.5-22.5-179.7-156.465.1000113.1P355 V357 A365 V367 I420 A425 G426 E427 E431 A432 V433P355-I429 HydrophobicContact CB-CG1 4.02Å; P355-I429 HydrophobicContact CB-CG2 3.96Å; V357-I429 HydrophobicContact CG2-CG2 4.26Å; A365-I429 HydrophobicContact CB-CB 3.72Å; A365-I429 HydrophobicContact CB-CD1 4.18Å; A365-I429 HydrophobicContact CB-CG1 3.96Å; A365-I429 HydrophobicContact CB-CG2 4.07Å; V367-I429 HydrophobicContact CB-CD1 4.36Å; V367-I429 HydrophobicContact CB-CG1 4.26Å; V367-I429 HydrophobicContact CG1-CD1 3.83Å; V367-I429 HydrophobicContact CG1-CG1 4.04Å; I420-I429 HydrophobicContact CD1-CB 4.47Å; I420-I429 HydrophobicContact CD1-CD1 3.86Å; I420-I429 HydrophobicContact CG1-CD1 4.27Å; A425-I429 WeakPolarHBondContact O-CB 3.31Å; A425-I429 PolarHBondContact O-N 3.26Å; G426-I429 WeakPolarHBondContact O-CG2 3.36Å; E427-I429 PolarHBondContact O-N 2.94Å; I429-E431 VanDerWaalsContact C-N 3.26Å; I429-E431 PolarHBondContact O-N 3.1Å; I429-A432 HydrophobicContact CD1-CB 4.11Å; I429-A432 WeakPolarHBondContact O-CB 3.4Å; I429-A432 PolarHBondContact O-N 2.87Å; I429-V433 WeakPolarHBondContact O-CG2 3.5Å; I429-V433 PolarHBondContact O-N 3.41Å
430A97.3Very high97.5Very high52 Ų5243.9 Ų43.943%0.4323%0.23SC..Hα-helixtrans-61.7-34.617700000112.3E427 M428 A432 V433 I434E427-A430 WeakPolarHBondContact O-CB 3.48Å; E427-A430 PolarHBondContact O-N 2.92Å; M428-A430 PolarHBondContact O-N 2.94Å; A430-A432 VanDerWaalsContact C-N 3.31Å; A430-A432 PolarHBondContact O-N 3.09Å; A430-V433 PolarHBondContact O-N 3.3Å; A430-I434 WeakPolarHBondContact O-CG1 3.49Å; A430-I434 PolarHBondContact O-N 3.11Å; A430-I434 VanDerWaalsContact O-N 3.14Å
431E96.7Very high97.5Very high55 Ų5544.8 Ų44.826%0.25724%0.237SC..Hα-helixtrans-63.9-39.5174-174.1177.1168.100111.3M428 I429 I434 A435 S450 F453M428-E431 PolarHBondContact O-N 3.46Å; I429-E431 VanDerWaalsContact C-N 3.26Å; I429-E431 PolarHBondContact O-N 3.1Å; E431-I434 PolarHBondContact O-N 2.83Å; E431-A435 WeakPolarHBondContact O-CB 3.38Å; E431-A435 PolarHBondContact O-N 3.48Å; E431-S450 PolarHBondContact OE1-OG 2.97Å; E431-S450 WeakPolarHBondContact OE2-CB 3.44Å; E431-S450 PolarHBondContact OE2-OG 3.27Å; E431-F453 HydrophobicContact CB-CE1 4.39Å; E431-F453 HydrophobicContact CG-CD1 4Å; E431-F453 HydrophobicContact CG-CE1 3.86Å; E431-F453 WeakPolarHBondContact OE1-CD1 3.31Å
432A97.6Very high97.5Very high1 Ų144.8 Ų44.81%0.00824%0.237CC..Hα-helixtrans-69.2-36.1177.300000113V367 A418 I429 A430 A435 L436 F453V367-A432 HydrophobicContact CG1-CB 3.58Å; A418-A432 HydrophobicContact CB-CB 3.53Å; I429-A432 HydrophobicContact CD1-CB 4.11Å; I429-A432 WeakPolarHBondContact O-CB 3.4Å; I429-A432 PolarHBondContact O-N 2.87Å; A430-A432 VanDerWaalsContact C-N 3.31Å; A430-A432 PolarHBondContact O-N 3.09Å; A432-A435 PolarHBondContact O-N 2.95Å; A432-L436 PolarHBondContact O-N 3.14Å; A432-F453 HydrophobicContact CB-CE2 3.78Å; A432-F453 HydrophobicContact CB-CZ 3.55Å
433V98.3Very high97.4Very high28 Ų2847.8 Ų47.817%0.1725%0.251CS..Hα-helixtrans-59.7-51.3174.2172.40000109.6P355 V367 I429 A430 A435 L436 E437P355-V433 HydrophobicContact CB-CG2 3.74Å; P355-V433 HydrophobicContact CG-CG2 3.72Å; V367-V433 HydrophobicContact CB-CG2 4.25Å; V367-V433 HydrophobicContact CG1-CG2 4.3Å; V367-V433 HydrophobicContact CG2-CG2 3.97Å; I429-V433 WeakPolarHBondContact O-CG2 3.5Å; I429-V433 PolarHBondContact O-N 3.41Å; A430-V433 PolarHBondContact O-N 3.3Å; V433-A435 VanDerWaalsContact C-N 3.29Å; V433-A435 PolarHBondContact O-N 2.83Å; V433-L436 PolarHBondContact O-N 2.96Å; V433-E437 HydrophobicContact CG1-CG 4.35Å; V433-E437 WeakPolarHBondContact O-CB 3.42Å; V433-E437 WeakPolarHBondContact O-CG 3.32Å; V433-E437 PolarHBondContact O-N 3.05Å
434I97.3Very high97.5Very high114 Ų11451.4 Ų51.459%0.58527%0.269SS*.Hα-helixtrans-59.8-42178.4-65.6167.1000110.8A430 E431 L436 E437 Y438A430-I434 WeakPolarHBondContact O-CG1 3.49Å; A430-I434 PolarHBondContact O-N 3.11Å; A430-I434 VanDerWaalsContact O-N 3.14Å; E431-I434 PolarHBondContact O-N 2.83Å; I434-L436 PolarHBondContact O-N 3.03Å; I434-E437 PolarHBondContact O-N 3Å; I434-Y438 PolarHBondContact O-N 3.49Å
435A97.1Very high97.5Very high5 Ų548.3 Ų48.34%0.04125%0.252CS..Hα-helixtrans-60.8-43.9178.100000112.2I415 E431 A432 V433 G439 A440 I445I415-A435 HydrophobicContact CD1-CB 4.1Å; E431-A435 WeakPolarHBondContact O-CB 3.38Å; E431-A435 PolarHBondContact O-N 3.48Å; A432-A435 PolarHBondContact O-N 2.95Å; V433-A435 VanDerWaalsContact C-N 3.29Å; V433-A435 PolarHBondContact O-N 2.83Å; A435-G439 PolarHBondContact O-N 2.82Å; A435-G439 VanDerWaalsContact O-N 3.17Å; A435-A440 HydrophobicContact CB-CB 4.03Å; A435-A440 VanDerWaalsContact O-CB 3.29Å; A435-A440 WeakPolarHBondContact O-CB 3.32Å; A435-A440 PolarHBondContact O-N 3.37Å; A435-I445 HydrophobicContact CB-CD1 3.81Å; A435-I445 HydrophobicContact CB-CG1 4.21Å
436L97.9Very high97.4Very high6 Ų648.6 Ų48.63%0.03125%0.254CS..Hα-helixtrans-67.7-44.3177.8-79.7169.2000112.5V367 I415 A432 V433 I434 Y438 G439V367-L436 HydrophobicContact CB-CD1 4.08Å; V367-L436 HydrophobicContact CG1-CD1 3.6Å; V367-L436 HydrophobicContact CG2-CD1 3.64Å; I415-L436 HydrophobicContact CB-CD2 4.4Å; I415-L436 HydrophobicContact CG2-CD2 3.98Å; I415-L436 HydrophobicContact CG2-CG 4.33Å; I415-L436 VanDerWaalsContact O-CD2 3.25Å; I415-L436 WeakPolarHBondContact O-CD2 3.4Å; A432-L436 PolarHBondContact O-N 3.14Å; V433-L436 PolarHBondContact O-N 2.96Å; I434-L436 PolarHBondContact O-N 3.03Å; L436-Y438 VanDerWaalsContact C-N 3.3Å; L436-Y438 PolarHBondContact O-N 2.84Å; L436-G439 PolarHBondContact O-N 3.13Å
437E97.6Very high97.1Very high102 Ų10256.5 Ų56.548%0.47728%0.28SS..Hα-helixtrans-58.2-41.1177.5-74.9-72.1-179.400111.8C353 V433 I434 G439C353-E437 HydrophobicContact CB-CG 3.92Å; C353-E437 WeakPolarHBondContact CB-OE1 3.34Å; V433-E437 HydrophobicContact CG1-CG 4.35Å; V433-E437 WeakPolarHBondContact O-CB 3.42Å; V433-E437 WeakPolarHBondContact O-CG 3.32Å; V433-E437 PolarHBondContact O-N 3.05Å; I434-E437 PolarHBondContact O-N 3Å; E437-G439 VanDerWaalsContact C-N 3.28Å; E437-G439 PolarHBondContact O-N 3.29Å
438Y97.5Very high96.6Very high208 Ų20851.4 Ų51.482%0.81626%0.259SS*.THydrogen-bonded Turntrans-79.4-7.7175.6-103.9-98.3000114.3I434 L436 A440I434-Y438 PolarHBondContact O-N 3.49Å; L436-Y438 VanDerWaalsContact C-N 3.3Å; L436-Y438 PolarHBondContact O-N 2.84Å; Y438-A440 VanDerWaalsContact C-N 3.34Å
439G97.5Very high95.7Very high28 Ų2857.1 Ų57.129%0.28929%0.29SS..THydrogen-bonded Turntrans66.434.1-174.500000113.6A435 L436 E437A435-G439 PolarHBondContact O-N 2.82Å; A435-G439 VanDerWaalsContact O-N 3.17Å; L436-G439 PolarHBondContact O-N 3.13Å; E437-G439 VanDerWaalsContact C-N 3.28Å; E437-G439 PolarHBondContact O-N 3.29Å
440A98Very high94.8Very high13 Ų1358.4 Ų58.411%0.10730%0.299CS..  trans-61150.5-178.100000112.8I415 A435 Y438 D444 I445I415-A440 PolarHBondContact N-O 2.98Å; A435-A440 HydrophobicContact CB-CB 4.03Å; A435-A440 VanDerWaalsContact O-CB 3.29Å; A435-A440 WeakPolarHBondContact O-CB 3.32Å; A435-A440 PolarHBondContact O-N 3.37Å; Y438-A440 VanDerWaalsContact C-N 3.34Å; A440-D444 HydrophobicContact CB-CB 4.37Å; A440-I445 HydrophobicContact CB-CD1 4.38Å
441S98.2Very high94.5Very high20 Ų2061 Ų6114%0.1430%0.302CS..BIsolated β-bridgetrans-83.9162.3167.967.30000112D413 E443 D444D413-S441 CarbonylContact O-C 3.56Å; D413-S441 WeakPolarHBondContact O-CA 3.29Å; D413-S441 WeakPolarHBondContact OD2-CB 3.27Å; S441-E443 PolarHBondContact O-N 2.94Å; S441-D444 WeakPolarHBondContact CB-OD2 3.45Å; S441-D444 PolarHBondContact N-OD2 3.39Å; S441-D444 PolarHBondContact O-N 3.5Å; S441-D444 PolarHBondContact OG-N 2.91Å; S441-D444 VanDerWaalsContact OG-N 3.07Å; S441-D444 PolarHBondContact OG-OD2 3.02Å
442C97.9Very high94.4Very high0 Ų058.6 Ų58.60%029%0.292CS..Hα-helixtrans-61.3-35.5169.3-63.40000111D413 D444 I445 A446 A460 F461D413-C442 PolarHBondContact O-N 3.07Å; D413-C442 WeakPolarHBondContact OD1-CB 3.41Å; D413-C442 PolarHBondContact OD2-N 3.22Å; C442-D444 PolarHBondContact O-N 3.34Å; C442-I445 PolarHBondContact O-N 3.17Å; C442-A446 WeakPolarHBondContact O-CB 3.44Å; C442-A446 PolarHBondContact O-N 3.3Å; C442-A460 HydrophobicContact CB-CB 4.18Å; C442-F461 HydrophobicContact CB-CB 4.02Å
443E97.6Very high94.2Very high63 Ų6358.6 Ų58.629%0.29429%0.292SS..Hα-helixtrans-59-44.1174.8-172.8172.7-177.700112.6D413 S441 I445 A446 R447 F461D413-E443 WeakPolarHBondContact OD2-CB 3.29Å; D413-E443 PolarHBondContact OD2-N 3.26Å; S441-E443 PolarHBondContact O-N 2.94Å; E443-I445 VanDerWaalsContact C-N 3.28Å; E443-I445 PolarHBondContact O-N 3.41Å; E443-A446 PolarHBondContact O-N 2.63Å; E443-R447 WeakPolarHBondContact O-CG 3.13Å; E443-R447 PolarHBondContact O-N 2.75Å; E443-R447 IonicContact OE1-CZ 3.27Å; E443-R447 VanDerWaalsContact OE1-CZ 3.27Å; E443-R447 IonicContact OE1-NE 3Å; E443-R447 PolarHBondContact OE1-NE 2.86Å; E443-R447 IonicContact OE1-NH2 2.7Å; E443-R447 PolarHBondContact OE1-NH2 3.23Å; E443-F461 HydrophobicContact CB-CD1 4.37Å; E443-F461 HydrophobicContact CB-CD2 3.61Å; E443-F461 HydrophobicContact CB-CE1 4.41Å; E443-F461 HydrophobicContact CB-CE2 3.64Å; E443-F461 HydrophobicContact CB-CG 3.98Å; E443-F461 HydrophobicContact CB-CZ 4.06Å; E443-F461 HydrophobicContact CG-CD1 4.31Å; E443-F461 HydrophobicContact CG-CD2 4.17Å; E443-F461 HydrophobicContact CG-CE1 3.95Å; E443-F461 HydrophobicContact CG-CE2 3.79Å; E443-F461 HydrophobicContact CG-CG 4.41Å; E443-F461 HydrophobicContact CG-CZ 3.67Å; E443-F461 WeakPolarHBondContact OE2-CE2 3.25Å; E443-F461 WeakPolarHBondContact OE2-CZ 3.39Å
444D97.1Very high94Very high91 Ų9162.1 Ų62.149%0.48730%0.302SS..Hα-helixtrans-56.6-46.6-179.7-66.3-44.9000110.6A440 S441 C442 R447A440-D444 HydrophobicContact CB-CB 4.37Å; S441-D444 WeakPolarHBondContact CB-OD2 3.45Å; S441-D444 PolarHBondContact N-OD2 3.39Å; S441-D444 PolarHBondContact O-N 3.5Å; S441-D444 PolarHBondContact OG-N 2.91Å; S441-D444 VanDerWaalsContact OG-N 3.07Å; S441-D444 PolarHBondContact OG-OD2 3.02Å; C442-D444 PolarHBondContact O-N 3.34Å; D444-R447 PolarHBondContact O-N 2.84Å
445I96.5Very high94Very high14 Ų1457.1 Ų57.17%0.07228%0.276CS..Hα-helixtrans-74-35.5179.6-54.1-53.7000111.9I415 A435 A440 C442 E443 R447 T448 F453 N457I415-I445 HydrophobicContact CD1-CG1 3.59Å; A435-I445 HydrophobicContact CB-CD1 3.81Å; A435-I445 HydrophobicContact CB-CG1 4.21Å; A440-I445 HydrophobicContact CB-CD1 4.38Å; C442-I445 PolarHBondContact O-N 3.17Å; E443-I445 VanDerWaalsContact C-N 3.28Å; E443-I445 PolarHBondContact O-N 3.41Å; I445-R447 PolarHBondContact O-N 2.86Å; I445-T448 PolarHBondContact O-N 2.72Å; I445-T448 PolarHBondContact O-OG1 2.84Å; I445-F453 HydrophobicContact CG1-CE1 4.46Å; I445-F453 HydrophobicContact CG2-CD1 3.49Å; I445-F453 VanDerWaalsContact CG2-CD1 3.49Å; I445-F453 HydrophobicContact CG2-CE1 3.46Å; I445-F453 VanDerWaalsContact CG2-CE1 3.46Å; I445-N457 HydrophobicContact CB-CB 3.98Å; I445-N457 HydrophobicContact CG2-CB 4.01Å; I445-N457 VanDerWaalsContact CG2-ND2 3.34Å; I445-N457 WeakPolarHBondContact CG2-ND2 3.49Å
446A95.2Very high93.9Very high5 Ų556.9 Ų56.94%0.04127%0.274CS..Hα-helixtrans-59.3-17.6175.500000113C442 E443 R454 N457 L458C442-A446 WeakPolarHBondContact O-CB 3.44Å; C442-A446 PolarHBondContact O-N 3.3Å; E443-A446 PolarHBondContact O-N 2.63Å; A446-R454 WeakPolarHBondContact O-CG 3.39Å; A446-R454 PolarHBondContact O-NE 2.8Å; A446-N457 HydrophobicContact CB-CB 4.45Å; A446-L458 HydrophobicContact CB-CB 3.98Å; A446-L458 HydrophobicContact CB-CD1 3.94Å
447R91.6Very high93.9Very high180 Ų18056.6 Ų56.668%0.67927%0.273SS*.THydrogen-bonded Turntrans-99.39.2177.6-63.5173.3179.6-75.81.6113.9E443 D444 I445E443-R447 WeakPolarHBondContact O-CG 3.13Å; E443-R447 PolarHBondContact O-N 2.75Å; E443-R447 IonicContact OE1-CZ 3.27Å; E443-R447 VanDerWaalsContact OE1-CZ 3.27Å; E443-R447 IonicContact OE1-NE 3Å; E443-R447 PolarHBondContact OE1-NE 2.86Å; E443-R447 IonicContact OE1-NH2 2.7Å; E443-R447 PolarHBondContact OE1-NH2 3.23Å; D444-R447 PolarHBondContact O-N 2.84Å; I445-R447 PolarHBondContact O-N 2.86Å
448T85.7Confident93.8Very high46 Ų4653 Ų5328%0.28226%0.256SS..SBendtrans-97.3-167.7174.674.30000112.6I445 R454I445-T448 PolarHBondContact O-N 2.72Å; I445-T448 PolarHBondContact O-OG1 2.84Å; T448-R454 VanDerWaalsContact O-CD 3.29Å; T448-R454 WeakPolarHBondContact O-CD 3.37Å
449L79.2Confident93.7Very high165 Ų16545.1 Ų45.186%0.86423%0.227SC*.SBendtrans-107.3-7.3-169.8-61.3178.6000115.3E451L449-E451 PolarHBondContact O-N 2.83Å
450S79.8Confident93.6Very high31 Ų3144 Ų4422%0.21722%0.215CC..  trans-81.9101.8-176.561.70000112.2E431 A452 F453 R454E431-S450 PolarHBondContact OE1-OG 2.97Å; E431-S450 WeakPolarHBondContact OE2-CB 3.44Å; E431-S450 PolarHBondContact OE2-OG 3.27Å; S450-A452 PolarHBondContact O-N 3.36Å; S450-F453 PolarHBondContact O-N 2.81Å; S450-R454 WeakPolarHBondContact O-CA 3.43Å; S450-R454 WeakPolarHBondContact O-CB 3.46Å; S450-R454 PolarHBondContact O-N 3.14Å
451E90.5Very high93.4Very high106 Ų10646.4 Ų46.450%0.49522%0.223SC..Hα-helixtrans-52.9-61.5-161.9-58.7178.7-39.900116.3N391 L449 F453 E455N391-E451 PolarHBondContact ND2-OE1 3.28Å; L449-E451 PolarHBondContact O-N 2.83Å; E451-F453 PolarHBondContact O-N 2.9Å; E451-E455 WeakPolarHBondContact O-CB 3.19Å; E451-E455 WeakPolarHBondContact O-CG 3.28Å; E451-E455 PolarHBondContact O-N 3.25Å
452A94.3Very high93.3Very high4 Ų448.9 Ų48.93%0.03324%0.24CC..Hα-helixtrans-68.5-36.7-174.900000112.5F386 F388 N391 V404 S450 A456F386-A452 HydrophobicContact CD1-CB 3.91Å; F386-A452 HydrophobicContact CE1-CB 4.32Å; F388-A452 HydrophobicContact CD1-CB 4.36Å; F388-A452 HydrophobicContact CE1-CB 3.94Å; F388-A452 HydrophobicContact CZ-CB 4.48Å; N391-A452 HydrophobicContact CB-CB 4.45Å; V404-A452 HydrophobicContact CG2-CB 4.08Å; S450-A452 PolarHBondContact O-N 3.36Å; A452-A456 PolarHBondContact O-N 2.78Å
453F93.7Very high93.1Very high1 Ų151.2 Ų51.20%0.00426%0.264CS..Hα-helixtrans-70.2-43.4178.4-170.1-107.8000111.5V404 I406 A418 I420 M428 E431 A432 I445 S450 E451 A456 N457V404-F453 HydrophobicContact CG1-CD2 3.84Å; V404-F453 HydrophobicContact CG1-CE2 4.49Å; I406-F453 HydrophobicContact CD1-CD2 4.08Å; I406-F453 HydrophobicContact CD1-CE2 3.5Å; I406-F453 VanDerWaalsContact CD1-CE2 3.5Å; I406-F453 HydrophobicContact CD1-CZ 4.03Å; A418-F453 HydrophobicContact CB-CE2 4.06Å; A418-F453 HydrophobicContact CB-CZ 4.49Å; I420-F453 HydrophobicContact CD1-CD2 4.44Å; M428-F453 HydrophobicContact CG-CB 4.48Å; M428-F453 HydrophobicContact SD-CB 4.18Å; E431-F453 HydrophobicContact CB-CE1 4.39Å; E431-F453 HydrophobicContact CG-CD1 4Å; E431-F453 HydrophobicContact CG-CE1 3.86Å; E431-F453 WeakPolarHBondContact OE1-CD1 3.31Å; A432-F453 HydrophobicContact CB-CE2 3.78Å; A432-F453 HydrophobicContact CB-CZ 3.55Å; I445-F453 HydrophobicContact CG1-CE1 4.46Å; I445-F453 HydrophobicContact CG2-CD1 3.49Å; I445-F453 VanDerWaalsContact CG2-CD1 3.49Å; I445-F453 HydrophobicContact CG2-CE1 3.46Å; I445-F453 VanDerWaalsContact CG2-CE1 3.46Å; S450-F453 PolarHBondContact O-N 2.81Å; E451-F453 PolarHBondContact O-N 2.9Å; F453-A456 PolarHBondContact O-N 2.95Å; F453-N457 PolarHBondContact O-N 2.84Å; F453-N457 VanDerWaalsContact O-N 3.09Å; F453-N457 PolarHBondContact O-ND2 3.37Å
454R94.9Very high92.9Very high102 Ų10255.9 Ų55.939%0.38528%0.283SS..Hα-helixtrans-57.5-47.7171.5-179.6-164.1176.2-172.5-9.3112.1A446 T448 S450 A456 N457 L458A446-R454 WeakPolarHBondContact O-CG 3.39Å; A446-R454 PolarHBondContact O-NE 2.8Å; T448-R454 VanDerWaalsContact O-CD 3.29Å; T448-R454 WeakPolarHBondContact O-CD 3.37Å; S450-R454 WeakPolarHBondContact O-CA 3.43Å; S450-R454 WeakPolarHBondContact O-CB 3.46Å; S450-R454 PolarHBondContact O-N 3.14Å; R454-A456 PolarHBondContact O-N 3.3Å; R454-N457 CarbonylContact O-C 3.55Å; R454-N457 WeakPolarHBondContact O-CB 3.17Å; R454-N457 PolarHBondContact O-N 2.87Å; R454-L458 WeakPolarHBondContact O-CB 3.43Å; R454-L458 PolarHBondContact O-N 2.94Å
455E96.8Very high92.8Very high9 Ų952.1 Ų52.14%0.04226%0.264CS..Hα-helixtrans-66.6-37.2-176.6-73.3-82.1-153.300112.5F386 E451 L458 Q459 A465 I466 N467F386-E455 HydrophobicContact CB-CB 3.91Å; F386-E455 HydrophobicContact CD1-CB 3.99Å; F386-E455 HydrophobicContact CD2-CB 3.25Å; F386-E455 HydrophobicContact CD2-CG 3.93Å; F386-E455 HydrophobicContact CE1-CB 4.3Å; F386-E455 HydrophobicContact CE1-CG 4.4Å; F386-E455 HydrophobicContact CE2-CB 3.6Å; F386-E455 HydrophobicContact CE2-CG 3.7Å; F386-E455 HydrophobicContact CG-CB 3.43Å; F386-E455 VanDerWaalsContact CG-CB 3.43Å; F386-E455 HydrophobicContact CG-CG 4.32Å; F386-E455 HydrophobicContact CZ-CB 4.12Å; F386-E455 HydrophobicContact CZ-CG 3.96Å; E451-E455 WeakPolarHBondContact O-CB 3.19Å; E451-E455 WeakPolarHBondContact O-CG 3.28Å; E451-E455 PolarHBondContact O-N 3.25Å; E455-L458 PolarHBondContact O-N 3.28Å; E455-Q459 PolarHBondContact O-N 3.09Å; E455-A465 HydrophobicContact CB-CB 4.37Å; E455-A465 WeakPolarHBondContact OE2-CA 3.43Å; E455-A465 VanDerWaalsContact OE2-CB 3.31Å; E455-A465 WeakPolarHBondContact OE2-CB 3.46Å; E455-I466 PolarHBondContact OE2-N 2.95Å; E455-N467 WeakPolarHBondContact OE1-CB 3.3Å; E455-N467 PolarHBondContact OE1-N 3.14Å; E455-N467 PolarHBondContact OE1-ND2 3.25Å
456A95.3Very high92.7Very high0 Ų057.5 Ų57.50%029%0.292CS..Hα-helixtrans-65.3-40.9172.800000111.4G384 F386 V404 I406 A452 F453 R454 Q459 A460G384-A456 WeakPolarHBondContact CA-O 3.34Å; F386-A456 HydrophobicContact CB-CB 3.98Å; V404-A456 HydrophobicContact CB-CB 3.89Å; V404-A456 HydrophobicContact CG1-CB 3.61Å; I406-A456 HydrophobicContact CG1-CB 3.73Å; A452-A456 PolarHBondContact O-N 2.78Å; F453-A456 PolarHBondContact O-N 2.95Å; R454-A456 PolarHBondContact O-N 3.3Å; A456-Q459 PolarHBondContact O-N 2.81Å; A456-A460 PolarHBondContact O-N 3.38Å
457N96.7Very high92.6Very high0 Ų062.3 Ų62.30%032%0.317CS..Hα-helixtrans-64.7-39173.2-83.9-81.2000112.4I415 I445 A446 F453 R454 A460 F461I415-N457 WeakPolarHBondContact CD1-OD1 3.21Å; I445-N457 HydrophobicContact CB-CB 3.98Å; I445-N457 HydrophobicContact CG2-CB 4.01Å; I445-N457 VanDerWaalsContact CG2-ND2 3.34Å; I445-N457 WeakPolarHBondContact CG2-ND2 3.49Å; A446-N457 HydrophobicContact CB-CB 4.45Å; F453-N457 PolarHBondContact O-N 2.84Å; F453-N457 VanDerWaalsContact O-N 3.09Å; F453-N457 PolarHBondContact O-ND2 3.37Å; R454-N457 CarbonylContact O-C 3.55Å; R454-N457 WeakPolarHBondContact O-CB 3.17Å; R454-N457 PolarHBondContact O-N 2.87Å; N457-A460 PolarHBondContact O-N 2.89Å; N457-F461 VanDerWaalsContact O-CB 3.28Å; N457-F461 WeakPolarHBondContact O-CB 3.3Å; N457-F461 PolarHBondContact O-N 3.22Å
458L95.5Very high92.6Very high26 Ų2658 Ų5814%0.13630%0.304CS..Hα-helixtrans-63.6-43.4176.2-174.967.4000111.2A446 R454 E455 A460 F461 C462 K464 I466A446-L458 HydrophobicContact CB-CB 3.98Å; A446-L458 HydrophobicContact CB-CD1 3.94Å; R454-L458 WeakPolarHBondContact O-CB 3.43Å; R454-L458 PolarHBondContact O-N 2.94Å; E455-L458 PolarHBondContact O-N 3.28Å; L458-A460 VanDerWaalsContact C-N 3.35Å; L458-A460 PolarHBondContact O-N 2.81Å; L458-F461 HydrophobicContact CD1-CD1 4.38Å; L458-F461 PolarHBondContact O-N 2.78Å; L458-C462 VanDerWaalsContact CD1-SG 3.54Å; L458-C462 PolarHBondContact O-N 3.38Å; L458-C462 PolarHBondContact O-SG 2.61Å; L458-K464 WeakPolarHBondContact CG-O 3.26Å; L458-I466 HydrophobicContact CD2-CD1 4.1Å; L458-I466 HydrophobicContact CD2-CG1 3.62Å
459Q96.6Very high92.3Very high43 Ų4362 Ų6220%0.20135%0.354CS..Hα-helixtrans-64.4-39.9174.5-165.2-173.843.500111.8K385 E455 A456 G463 A465K385-Q459 PolarHBondContact O-OE1 2.96Å; E455-Q459 PolarHBondContact O-N 3.09Å; A456-Q459 PolarHBondContact O-N 2.81Å; Q459-G463 WeakPolarHBondContact O-CA 3.21Å; Q459-G463 PolarHBondContact O-N 2.93Å; Q459-A465 HydrophobicContact CB-CB 4.4Å
460A94.5Very high93Very high4 Ų456.9 Ų56.93%0.03333%0.328CS..Hα-helixtrans-63.3-43.3174.800000111.3K382 I406 C442 A456 N457 L458K382-A460 WeakPolarHBondContact CD-O 3.23Å; K382-A460 WeakPolarHBondContact CE-O 3.3Å; K382-A460 PolarHBondContact NZ-O 2.83Å; K382-A460 VanDerWaalsContact NZ-O 3.12Å; I406-A460 HydrophobicContact CB-CB 4.4Å; I406-A460 HydrophobicContact CG2-CB 4.27Å; C442-A460 HydrophobicContact CB-CB 4.18Å; A456-A460 PolarHBondContact O-N 3.38Å; N457-A460 PolarHBondContact O-N 2.89Å; L458-A460 VanDerWaalsContact C-N 3.35Å; L458-A460 PolarHBondContact O-N 2.81Å
461F94.9Very high93.7Very high65 Ų6558.2 Ų58.229%0.28533%0.334SS..Hα-helixtrans-66-62.4-178.5167.3-120.2000112.4K382 D413 C442 E443 N457 L458K382-F461 PolarHBondContact NZ-O 2.7Å; K382-F461 VanDerWaalsContact NZ-O 3.13Å; D413-F461 WeakPolarHBondContact OD2-CD2 3.38Å; C442-F461 HydrophobicContact CB-CB 4.02Å; E443-F461 HydrophobicContact CB-CD1 4.37Å; E443-F461 HydrophobicContact CB-CD2 3.61Å; E443-F461 HydrophobicContact CB-CE1 4.41Å; E443-F461 HydrophobicContact CB-CE2 3.64Å; E443-F461 HydrophobicContact CB-CG 3.98Å; E443-F461 HydrophobicContact CB-CZ 4.06Å; E443-F461 HydrophobicContact CG-CD1 4.31Å; E443-F461 HydrophobicContact CG-CD2 4.17Å; E443-F461 HydrophobicContact CG-CE1 3.95Å; E443-F461 HydrophobicContact CG-CE2 3.79Å; E443-F461 HydrophobicContact CG-CG 4.41Å; E443-F461 HydrophobicContact CG-CZ 3.67Å; E443-F461 WeakPolarHBondContact OE2-CE2 3.25Å; E443-F461 WeakPolarHBondContact OE2-CZ 3.39Å; N457-F461 VanDerWaalsContact O-CB 3.28Å; N457-F461 WeakPolarHBondContact O-CB 3.3Å; N457-F461 PolarHBondContact O-N 3.22Å; L458-F461 HydrophobicContact CD1-CD1 4.38Å; L458-F461 PolarHBondContact O-N 2.78Å
462C94.3Very high93.8Very high72 Ų7255.6 Ų55.649%0.48633%0.325SS..Hα-helixtrans-115.59-169.367.40000114.6L458 K464L458-C462 VanDerWaalsContact CD1-SG 3.54Å; L458-C462 PolarHBondContact O-N 3.38Å; L458-C462 PolarHBondContact O-SG 2.61Å; C462-K464 VanDerWaalsContact C-N 3.32Å; C462-K464 PolarHBondContact O-N 3.45Å
463G94.5Very high93.8Very high49 Ų4958.6 Ų58.651%0.50534%0.342SS..SBendtrans82.6-3.2172.300000115.8Q459Q459-G463 WeakPolarHBondContact O-CA 3.21Å; Q459-G463 PolarHBondContact O-N 2.93Å
464K94.4Very high93.8Very high161 Ų16162.2 Ų62.270%0.736%0.363SS*.  trans-143.7131.6179.9-66.1-175.1179.4-1790111.2L458 C462L458-K464 WeakPolarHBondContact CG-O 3.26Å; C462-K464 VanDerWaalsContact C-N 3.32Å; C462-K464 PolarHBondContact O-N 3.45Å
465A94.7Very high93.8Very high11 Ų1159.5 Ų59.59%0.09136%0.362CS..  trans-79.5162164.300000110F386 E455 Q459 F468F386-A465 HydrophobicContact CD2-CB 4.05Å; F386-A465 HydrophobicContact CE2-CB 4.4Å; E455-A465 HydrophobicContact CB-CB 4.37Å; E455-A465 WeakPolarHBondContact OE2-CA 3.43Å; E455-A465 VanDerWaalsContact OE2-CB 3.31Å; E455-A465 WeakPolarHBondContact OE2-CB 3.46Å; Q459-A465 HydrophobicContact CB-CB 4.4Å; A465-F468 HydrophobicContact CB-CB 4.26Å
466I94.5Very high93.5Very high128 Ų12863.1 Ų63.166%0.65639%0.385SS*.SBendtrans-82.2-47.2175.6-60-56.9000110.6E455 L458E455-I466 PolarHBondContact OE2-N 2.95Å; L458-I466 HydrophobicContact CD2-CD1 4.1Å; L458-I466 HydrophobicContact CD2-CG1 3.62Å
467N93.3Very high93.4Very high106 Ų10668 Ų6857%0.56741%0.414SS*.SBendtrans-94.310.2-173.6-67.3-70.9000114.2F386 E455F386-N467 HydrophobicContact CE2-CB 4Å; F386-N467 HydrophobicContact CZ-CB 3.95Å; E455-N467 WeakPolarHBondContact OE1-CB 3.3Å; E455-N467 PolarHBondContact OE1-N 3.14Å; E455-N467 PolarHBondContact OE1-ND2 3.25Å
468F90.2Very high93.1Very high90 Ų9073.7 Ų73.740%0.39545%0.449SS..  trans-152.8139.3179.6-173.9-112.2000111.2F386 P387 A390 A465F386-F468 HydrophobicContact CD2-CB 3.69Å; F386-F468 HydrophobicContact CD2-CG 4.48Å; F386-F468 HydrophobicContact CE2-CB 3.5Å; F386-F468 VanDerWaalsContact CE2-CB 3.5Å; P387-F468 HydrophobicContact CG-CD1 4.12Å; P387-F468 HydrophobicContact CG-CD2 3.62Å; P387-F468 HydrophobicContact CG-CE1 4Å; P387-F468 HydrophobicContact CG-CE2 3.5Å; P387-F468 VanDerWaalsContact CG-CE2 3.5Å; P387-F468 HydrophobicContact CG-CG 3.95Å; P387-F468 HydrophobicContact CG-CZ 3.7Å; A390-F468 HydrophobicContact CB-CB 4.24Å; A390-F468 HydrophobicContact CB-CD2 4.1Å; A390-F468 HydrophobicContact CB-CG 4.5Å; A465-F468 HydrophobicContact CB-CB 4.26Å
469G80.2Confident92.9Very high129 Ų12978 Ų78100%1.3348%0.477SS*.  trans-137.10-17200000113.8

Retrieved 469 of 469 residues in 457.6 ms (Link to these results)

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