A0A087X482_POEFO Loading...

Docking protein 1b

AlphaFold DB , UniProt , Accession A0A087X482, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 656 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
1M50.6Low83Confident228 Ų22874.1 Ų74.1100%1.12339%0.39SS*.  0158.20-60.7-178-173.100107.2A3M1-A3 PolarHBondContact O-N 3.33Å
2D69.8Low83.5Confident51 Ų5168.8 Ų68.827%0.27336%0.363SS..PPolyproline II helixtrans-61.9116.9173-68.128.4000109.6Y29 R38D2-Y29 HydrophobicContact CB-CD1 3.81Å; D2-Y29 HydrophobicContact CB-CE1 3.88Å; D2-R38 IonicContact OD2-CZ 3.82Å; D2-R38 VanDerWaalsContact OD2-CZ 3.26Å; D2-R38 IonicContact OD2-NH1 2.6Å; D2-R38 PolarHBondContact OD2-NH1 3.37Å; D2-R38 IonicContact OD2-NH2 2.72Å; D2-R38 PolarHBondContact OD2-NH2 2.87Å
3A80.6Confident83.7Confident72 Ų7264.3 Ų64.360%0.59534%0.339SS*.PPolyproline II helixtrans-76.6135.617200000109.3M1 Y29 P30M1-A3 PolarHBondContact O-N 3.33Å; A3-Y29 WeakPolarHBondContact O-CD1 3.47Å; A3-P30 WeakPolarHBondContact O-CD 3.38Å
4H85.5Confident83.2Confident92 Ų9263.8 Ų63.843%0.42633%0.333SS..PPolyproline II helixtrans-91.1145.6168.259.9-96.8000109.5V27 L28 Y29H4-V27 HydrophobicContact CB-CG1 3.52Å; H4-L28 CarbonylContact C-O 3.51Å; H4-L28 WeakPolarHBondContact CA-O 3.39Å; H4-Y29 HydrophobicContact CB-CD1 4.06Å; H4-Y29 HydrophobicContact CB-CE1 3.88Å
5V88.8Confident81.9Confident85 Ų8568.9 Ų68.952%0.51536%0.355SS..SBendtrans-93.4-25.3175.9165.30000111.4L28 P30 T119 I123V5-L28 PolarHBondContact N-O 2.99Å; V5-P30 HydrophobicContact CG2-CB 4.17Å; V5-P30 HydrophobicContact CG2-CG 3.7Å; V5-T119 HydrophobicContact CG1-CG2 3.78Å; V5-I123 HydrophobicContact CB-CD1 4.16Å; V5-I123 HydrophobicContact CG1-CD1 4.16Å; V5-I123 HydrophobicContact CG2-CD1 4.47Å
6K90.3Very high80.4Confident32 Ų3275.3 Ų75.314%0.13938%0.379CS..EExtended strand (participates in β ladder)trans-150.6144-179.4-137.6178.7-164.973.30110.8L28 D115 W116 T119K6-L28 HydrophobicContact CB-CB 3.85Å; K6-L28 HydrophobicContact CB-CD2 3.95Å; K6-L28 HydrophobicContact CB-CG 4.39Å; K6-L28 HydrophobicContact CD-CD2 4.39Å; K6-L28 PolarHBondContact N-O 2.93Å; K6-L28 PolarHBondContact O-N 3.46Å; K6-D115 WeakPolarHBondContact CE-OD2 3.35Å; K6-D115 IonicContact NZ-OD1 2.73Å; K6-D115 PolarHBondContact NZ-OD1 3.07Å; K6-D115 IonicContact NZ-OD2 3.57Å; K6-D115 PolarHBondContact NZ-OD2 2.84Å; K6-W116 HydrophobicContact CB-CH2 4.18Å; K6-W116 HydrophobicContact CB-CZ2 4.36Å; K6-W116 HydrophobicContact CB-CZ3 4.47Å; K6-W116 HydrophobicContact CD-CD2 3.75Å; K6-W116 HydrophobicContact CD-CE3 4.07Å; K6-W116 HydrophobicContact CD-CG 4.1Å; K6-W116 HydrophobicContact CD-CH2 4.42Å; K6-W116 HydrophobicContact CD-CZ2 4.11Å; K6-W116 HydrophobicContact CD-CZ3 4.39Å; K6-W116 HydrophobicContact CG-CH2 4.41Å; K6-W116 HydrophobicContact CG-CZ2 4.11Å; K6-T119 HydrophobicContact CD-CG2 4.14Å; K6-T119 WeakPolarHBondContact CE-OG1 3.43Å; K6-T119 PolarHBondContact NZ-OG1 3.03Å
7E91.8Very high78.8Confident97 Ų9780.9 Ų80.945%0.45340%0.401SS..EExtended strand (participates in β ladder)trans-143.7162.4162.264.6163.4-172.600111.9W25 F26 V27E7-W25 HydrophobicContact CB-CZ2 4.26Å; E7-W25 HydrophobicContact CG-CZ2 3.9Å; E7-W25 PolarHBondContact OE2-NE1 3.38Å; E7-F26 CarbonylContact C-O 3.46Å; E7-F26 WeakPolarHBondContact CA-O 3.35Å; E7-F26 WeakPolarHBondContact CB-O 3.47Å; E7-V27 HydrophobicContact CB-CB 4.41Å; E7-V27 HydrophobicContact CB-CG1 4.29Å; E7-V27 HydrophobicContact CB-CG2 4.08Å
8G89Confident77.6Confident11 Ų1179 Ų7911%0.11341%0.405CS..EExtended strand (participates in β ladder)trans158.1-166.6-179.500000114.5W25 F26G8-W25 WeakPolarHBondContact O-CA 2.89Å; G8-F26 PolarHBondContact N-O 2.93Å; G8-F26 PolarHBondContact O-N 3.39Å
9Q89.6Confident77.3Confident100 Ų10080.9 Ų80.947%0.46741%0.411SS..EExtended strand (participates in β ladder)trans-108.7115.9-172.5-64176.2-3.300111.3W25Q9-W25 HydrophobicContact CG-CD2 4.44Å; Q9-W25 HydrophobicContact CG-CE3 3.35Å; Q9-W25 HydrophobicContact CG-CZ3 3.51Å
10L89.6Confident77.4Confident0 Ų084.6 Ų84.60%042%0.424CS..EExtended strand (participates in β ladder)trans-115.1155170.9-49.3174.7000110.1N24 F26 F95 A108 W116L10-N24 PolarHBondContact N-O 3.13Å; L10-N24 PolarHBondContact O-N 2.98Å; L10-F26 HydrophobicContact CB-CD2 3.59Å; L10-F26 HydrophobicContact CB-CE2 3.6Å; L10-F26 HydrophobicContact CB-CG 4.3Å; L10-F26 HydrophobicContact CB-CZ 4.3Å; L10-F26 HydrophobicContact CD1-CB 4.23Å; L10-F26 HydrophobicContact CD1-CD1 4.04Å; L10-F26 HydrophobicContact CD1-CD2 3.99Å; L10-F26 HydrophobicContact CD1-CE1 4.44Å; L10-F26 HydrophobicContact CD1-CE2 4.39Å; L10-F26 HydrophobicContact CD1-CG 3.82Å; L10-F26 HydrophobicContact CG-CB 4.42Å; L10-F26 HydrophobicContact CG-CD2 3.82Å; L10-F26 HydrophobicContact CG-CE2 4.29Å; L10-F26 HydrophobicContact CG-CG 4.08Å; L10-F95 HydrophobicContact CD1-CZ 4.17Å; L10-A108 HydrophobicContact CD2-CB 3.75Å; L10-W116 HydrophobicContact CD1-CD2 4.01Å; L10-W116 HydrophobicContact CD1-CE3 3.93Å; L10-W116 HydrophobicContact CD1-CZ3 4.29Å; L10-W116 HydrophobicContact CD2-CD2 4.01Å; L10-W116 HydrophobicContact CD2-CG 3.94Å; L10-W116 HydrophobicContact CG-CD2 4.39Å
11Y87.5Confident77.7Confident47 Ų4783.2 Ų83.218%0.18441%0.413CS..EExtended strand (participates in β ladder)trans-91.6132.6165.3-63.9-99.3000108.7W21 K22 K23 P88 M92 F106 A107Y11-W21 HydrophobicContact CD1-CB 4.46Å; Y11-K22 CarbonylContact C-O 3.52Å; Y11-K22 VanDerWaalsContact CA-O 3.28Å; Y11-K22 WeakPolarHBondContact CA-O 3.49Å; Y11-K23 HydrophobicContact CD1-CB 3.92Å; Y11-K23 HydrophobicContact CD1-CG 4.3Å; Y11-K23 HydrophobicContact CE1-CB 3.76Å; Y11-K23 HydrophobicContact CE1-CD 4.07Å; Y11-K23 HydrophobicContact CE1-CG 4Å; Y11-K23 HydrophobicContact CE2-CD 4.3Å; Y11-K23 HydrophobicContact CE2-CG 4.32Å; Y11-P88 HydrophobicContact CD1-CG 4.49Å; Y11-P88 HydrophobicContact CG-CG 4.21Å; Y11-M92 HydrophobicContact CD2-CE 4.29Å; Y11-M92 HydrophobicContact CD2-SD 4.21Å; Y11-M92 HydrophobicContact CE2-CE 3.57Å; Y11-M92 HydrophobicContact CE2-SD 4Å; Y11-F106 CarbonylContact O-C 3.49Å; Y11-F106 WeakPolarHBondContact O-CA 3.47Å; Y11-A107 PolarHBondContact N-O 3.27Å; Y11-A107 PolarHBondContact O-N 2.79Å
12V89.3Confident79.4Confident10 Ų1074.7 Ų74.76%0.06137%0.37CS..EExtended strand (participates in β ladder)trans-113.3136.4173.261.40000110.4K22 F26 V105 F106V12-K22 HydrophobicContact CG1-CB 4.35Å; V12-K22 PolarHBondContact N-O 3.01Å; V12-K22 PolarHBondContact O-N 3.27Å; V12-F26 HydrophobicContact CB-CZ 4.23Å; V12-F26 HydrophobicContact CG1-CZ 4.49Å; V12-V105 WeakPolarHBondContact CA-O 3.39Å; V12-F106 HydrophobicContact CB-CD1 3.85Å; V12-F106 HydrophobicContact CB-CE1 3.92Å; V12-F106 HydrophobicContact CG2-CD1 3.87Å; V12-F106 HydrophobicContact CG2-CE1 3.62Å
13Q85.6Confident80.2Confident11 Ų1176.7 Ų76.75%0.05138%0.376CS..EExtended strand (participates in β ladder)trans-83.3121.9176.6-155.5-172.988.800109.7Q15 K19 W21 E85 V105Q13-Q15 PolarHBondContact O-N 3.43Å; Q13-K19 HydrophobicContact CG-CB 4.46Å; Q13-W21 HydrophobicContact CB-CD2 4.3Å; Q13-W21 HydrophobicContact CB-CE3 3.86Å; Q13-W21 HydrophobicContact CB-CH2 4.08Å; Q13-W21 HydrophobicContact CB-CZ2 4.49Å; Q13-W21 HydrophobicContact CB-CZ3 3.74Å; Q13-W21 HydrophobicContact CG-CD2 4.33Å; Q13-W21 HydrophobicContact CG-CE3 4.38Å; Q13-W21 HydrophobicContact CG-CH2 4.49Å; Q13-W21 HydrophobicContact CG-CZ2 4.42Å; Q13-W21 HydrophobicContact CG-CZ3 4.47Å; Q13-E85 PolarHBondContact NE2-OE2 2.8Å; Q13-V105 HydrophobicContact CB-CB 3.92Å; Q13-V105 PolarHBondContact N-O 2.82Å
14H77.6Confident80.6Confident57 Ų5773.6 Ų73.626%0.26435%0.35SS..  trans-98.283.2-174.6-157.9140.9000112.2K16 F17 G18 K20H14-K16 PolarHBondContact O-N 2.64Å; H14-F17 PolarHBondContact O-N 2.9Å; H14-G18 VanDerWaalsContact O-O 3.07Å; H14-K20 PolarHBondContact N-O 3.49Å
15Q63.8Low80.8Confident140 Ų14074.1 Ų74.165%0.65435%0.348SS*.G310 helixtrans-38-41.8-176.7-15782.66.200115.6Q13 F17Q13-Q15 PolarHBondContact O-N 3.43Å; Q15-F17 VanDerWaalsContact C-N 3.33Å; Q15-F17 PolarHBondContact O-N 2.74Å
16K57.5Low81Confident172 Ų17270 Ų7075%0.74832%0.323SS*.G310 helixtrans-69.7-15.9-167.6-62.8-167.6175.8-170.40116.2H14H14-K16 PolarHBondContact O-N 2.64Å
17F52.3Low81.1Confident170 Ų17069 Ų6975%0.74632%0.32SS*.G310 helixtrans-134.941-176.5-71-77.5000112.6H14 Q15H14-F17 PolarHBondContact O-N 2.9Å; Q15-F17 VanDerWaalsContact C-N 3.33Å; Q15-F17 PolarHBondContact O-N 2.74Å
18G58.3Low81.1Confident47 Ų4764.4 Ų64.449%0.48530%0.298SS..SBendtrans79.2165.2-171.500000112.2H14 K20H14-G18 VanDerWaalsContact O-O 3.07Å; G18-K20 PolarHBondContact O-N 2.98Å
19K72.2Confident81.2Confident116 Ų11665.8 Ų65.850%0.50430%0.3SS..SBendtrans-69.872.8-179.4-71.9-168.1166.9-169.70112.3Q13 E85Q13-K19 HydrophobicContact CG-CB 4.46Å; K19-E85 WeakPolarHBondContact CE-OE2 3.15Å; K19-E85 IonicContact NZ-OE1 3.36Å; K19-E85 PolarHBondContact NZ-OE1 3.43Å; K19-E85 IonicContact NZ-OE2 3.41Å; K19-E85 PolarHBondContact NZ-OE2 3.07Å
20K78.9Confident81.2Confident154 Ų15462.5 Ų62.567%0.6729%0.288SS*.  trans-103.3125.8174-73.5-178175.7177.40110.1H14 G18H14-K20 PolarHBondContact N-O 3.49Å; G18-K20 PolarHBondContact O-N 2.98Å
21W83.4Confident81Confident55 Ų5566.1 Ų66.121%0.20832%0.318CS..EExtended strand (participates in β ladder)trans-79.9133.1171.4-66.6108.5000110.5Y11 Q13 S86 P88 A94 V105 A107Y11-W21 HydrophobicContact CD1-CB 4.46Å; Q13-W21 HydrophobicContact CB-CD2 4.3Å; Q13-W21 HydrophobicContact CB-CE3 3.86Å; Q13-W21 HydrophobicContact CB-CH2 4.08Å; Q13-W21 HydrophobicContact CB-CZ2 4.49Å; Q13-W21 HydrophobicContact CB-CZ3 3.74Å; Q13-W21 HydrophobicContact CG-CD2 4.33Å; Q13-W21 HydrophobicContact CG-CE3 4.38Å; Q13-W21 HydrophobicContact CG-CH2 4.49Å; Q13-W21 HydrophobicContact CG-CZ2 4.42Å; Q13-W21 HydrophobicContact CG-CZ3 4.47Å; W21-S86 WeakPolarHBondContact CZ2-O 2.95Å; W21-S86 PolarHBondContact NE1-O 3.23Å; W21-P88 HydrophobicContact CB-CG 4.22Å; W21-P88 HydrophobicContact CD2-CG 3.77Å; W21-P88 HydrophobicContact CE3-CG 4.26Å; W21-P88 HydrophobicContact CG-CB 4.35Å; W21-P88 HydrophobicContact CG-CG 3.74Å; W21-A94 HydrophobicContact CH2-CB 4.06Å; W21-V105 HydrophobicContact CH2-CB 4.4Å; W21-V105 HydrophobicContact CH2-CG1 3.74Å; W21-V105 HydrophobicContact CZ3-CG1 4.34Å; W21-A107 HydrophobicContact CE3-CB 4.2Å; W21-A107 HydrophobicContact CH2-CB 3.81Å; W21-A107 HydrophobicContact CZ2-CB 4.48Å; W21-A107 HydrophobicContact CZ3-CB 3.65Å
22K85.5Confident80.6Confident49 Ų4966.6 Ų66.621%0.21333%0.328CS..EExtended strand (participates in β ladder)trans-127.8129.4-179.3-163.9-176.5-178.8176.80110.5Y11 V12 N24 D43 S44Y11-K22 CarbonylContact C-O 3.52Å; Y11-K22 VanDerWaalsContact CA-O 3.28Å; Y11-K22 WeakPolarHBondContact CA-O 3.49Å; V12-K22 HydrophobicContact CG1-CB 4.35Å; V12-K22 PolarHBondContact N-O 3.01Å; V12-K22 PolarHBondContact O-N 3.27Å; K22-N24 WeakPolarHBondContact CG-OD1 3.46Å; K22-N24 PolarHBondContact O-OD1 3.47Å; K22-D43 WeakPolarHBondContact CD-OD1 3.5Å; K22-D43 WeakPolarHBondContact CE-OD1 3.45Å; K22-D43 IonicContact NZ-OD1 2.67Å; K22-D43 PolarHBondContact NZ-OD1 2.95Å; K22-S44 WeakPolarHBondContact CE-O 3.28Å; K22-S44 PolarHBondContact NZ-O 3.07Å
23K87.7Confident79.6Confident94 Ų9474.1 Ų74.141%0.40936%0.362SS..EExtended strand (participates in β ladder)trans-88.2116.7-177.8-163.8-179.6-176.1-1780110.4Y11Y11-K23 HydrophobicContact CD1-CB 3.92Å; Y11-K23 HydrophobicContact CD1-CG 4.3Å; Y11-K23 HydrophobicContact CE1-CB 3.76Å; Y11-K23 HydrophobicContact CE1-CD 4.07Å; Y11-K23 HydrophobicContact CE1-CG 4Å; Y11-K23 HydrophobicContact CE2-CD 4.3Å; Y11-K23 HydrophobicContact CE2-CG 4.32Å
24N89.2Confident78.6Confident6 Ų679.5 Ų79.53%0.03239%0.392CS..EExtended strand (participates in β ladder)trans-126.4159.4-179.1-59.530.6000109.5L10 K22 F26 F41 F42 D43L10-N24 PolarHBondContact N-O 3.13Å; L10-N24 PolarHBondContact O-N 2.98Å; K22-N24 WeakPolarHBondContact CG-OD1 3.46Å; K22-N24 PolarHBondContact O-OD1 3.47Å; N24-F26 HydrophobicContact CB-CD2 4.37Å; N24-F26 HydrophobicContact CB-CE2 3.72Å; N24-F26 HydrophobicContact CB-CZ 4.35Å; N24-F26 WeakPolarHBondContact O-CD2 3.32Å; N24-F41 HydrophobicContact CB-CD2 4.48Å; N24-F42 PolarHBondContact ND2-O 2.68Å; N24-D43 PolarHBondContact ND2-OD1 2.85Å
25W89.1Confident78.7Confident103 Ų10377.8 Ų77.839%0.3939%0.389SS..EExtended strand (participates in β ladder)trans-86.5138.1167.5-164.8-92.4000109.3E7 G8 Q9 F41 F42E7-W25 HydrophobicContact CB-CZ2 4.26Å; E7-W25 HydrophobicContact CG-CZ2 3.9Å; E7-W25 PolarHBondContact OE2-NE1 3.38Å; G8-W25 WeakPolarHBondContact O-CA 2.89Å; Q9-W25 HydrophobicContact CG-CD2 4.44Å; Q9-W25 HydrophobicContact CG-CE3 3.35Å; Q9-W25 HydrophobicContact CG-CZ3 3.51Å; W25-F41 VanDerWaalsContact O-CA 3.31Å; W25-F41 WeakPolarHBondContact O-CA 3.46Å; W25-F41 WeakPolarHBondContact O-CB 3.22Å; W25-F42 PolarHBondContact O-N 2.81Å
26F92.3Very high79.9Confident0 Ų075.3 Ų75.30%038%0.379CS..EExtended strand (participates in β ladder)trans-123.5138.9-177.8-73.7-101.4000109.6E7 G8 L10 V12 N24 L39 E40 F41 F106 W116E7-F26 CarbonylContact C-O 3.46Å; E7-F26 WeakPolarHBondContact CA-O 3.35Å; E7-F26 WeakPolarHBondContact CB-O 3.47Å; G8-F26 PolarHBondContact N-O 2.93Å; G8-F26 PolarHBondContact O-N 3.39Å; L10-F26 HydrophobicContact CB-CD2 3.59Å; L10-F26 HydrophobicContact CB-CE2 3.6Å; L10-F26 HydrophobicContact CB-CG 4.3Å; L10-F26 HydrophobicContact CB-CZ 4.3Å; L10-F26 HydrophobicContact CD1-CB 4.23Å; L10-F26 HydrophobicContact CD1-CD1 4.04Å; L10-F26 HydrophobicContact CD1-CD2 3.99Å; L10-F26 HydrophobicContact CD1-CE1 4.44Å; L10-F26 HydrophobicContact CD1-CE2 4.39Å; L10-F26 HydrophobicContact CD1-CG 3.82Å; L10-F26 HydrophobicContact CG-CB 4.42Å; L10-F26 HydrophobicContact CG-CD2 3.82Å; L10-F26 HydrophobicContact CG-CE2 4.29Å; L10-F26 HydrophobicContact CG-CG 4.08Å; V12-F26 HydrophobicContact CB-CZ 4.23Å; V12-F26 HydrophobicContact CG1-CZ 4.49Å; N24-F26 HydrophobicContact CB-CD2 4.37Å; N24-F26 HydrophobicContact CB-CE2 3.72Å; N24-F26 HydrophobicContact CB-CZ 4.35Å; N24-F26 WeakPolarHBondContact O-CD2 3.32Å; F26-L39 HydrophobicContact CB-CD1 4.25Å; F26-L39 HydrophobicContact CD1-CD1 4Å; F26-L39 HydrophobicContact CD1-CD2 3.9Å; F26-L39 HydrophobicContact CD1-CG 3.94Å; F26-L39 HydrophobicContact CE1-CD2 4.24Å; F26-E40 CarbonylContact C-O 3.56Å; F26-E40 WeakPolarHBondContact CA-O 3.2Å; F26-F41 HydrophobicContact CD1-CB 3.46Å; F26-F41 VanDerWaalsContact CD1-CB 3.46Å; F26-F41 HydrophobicContact CD1-CD1 4.2Å; F26-F41 AromaticContact CD1-CG 3.97Å; F26-F41 HydrophobicContact CD1-CG 3.97Å; F26-F41 HydrophobicContact CD2-CB 4.2Å; F26-F41 HydrophobicContact CE1-CB 3.42Å; F26-F41 VanDerWaalsContact CE1-CB 3.42Å; F26-F41 AromaticContact CE1-CD1 3.66Å; F26-F41 HydrophobicContact CE1-CD1 3.66Å; F26-F41 AromaticContact CE1-CD2 3.96Å; F26-F41 HydrophobicContact CE1-CD2 3.96Å; F26-F41 HydrophobicContact CE1-CE1 4.35Å; F26-F41 AromaticContact CE1-CG 3.43Å; F26-F41 HydrophobicContact CE1-CG 3.43Å; F26-F41 VanDerWaalsContact CE1-CG 3.43Å; F26-F41 HydrophobicContact CE2-CB 4.17Å; F26-F41 HydrophobicContact CG-CB 3.85Å; F26-F41 HydrophobicContact CZ-CB 3.79Å; F26-F41 HydrophobicContact CZ-CD1 4.38Å; F26-F41 AromaticContact CZ-CD2 3.84Å; F26-F41 HydrophobicContact CZ-CD2 3.84Å; F26-F41 HydrophobicContact CZ-CE2 4.48Å; F26-F41 AromaticContact CZ-CG 3.78Å; F26-F41 HydrophobicContact CZ-CG 3.78Å; F26-F106 HydrophobicContact CE1-CD1 4.02Å; F26-F106 AromaticContact CE1-CE1 3.39Å; F26-F106 HydrophobicContact CE1-CE1 3.39Å; F26-F106 AromaticContact CE1-CZ 3.99Å; F26-F106 HydrophobicContact CE1-CZ 3.99Å; F26-F106 AromaticContact CZ-CD1 3.89Å; F26-F106 HydrophobicContact CZ-CD1 3.89Å; F26-F106 AromaticContact CZ-CE1 3.55Å; F26-F106 HydrophobicContact CZ-CE1 3.55Å; F26-W116 HydrophobicContact CB-CH2 3.8Å; F26-W116 HydrophobicContact CB-CZ2 4.49Å; F26-W116 HydrophobicContact CB-CZ3 4.19Å
27V92.7Very high81.5Confident11 Ų1167.8 Ų67.87%0.06735%0.349CS..EExtended strand (participates in β ladder)trans-130.3127.9175.4-170.30000108.6H4 E7 Y29 E40H4-V27 HydrophobicContact CB-CG1 3.52Å; E7-V27 HydrophobicContact CB-CB 4.41Å; E7-V27 HydrophobicContact CB-CG1 4.29Å; E7-V27 HydrophobicContact CB-CG2 4.08Å; V27-Y29 HydrophobicContact CB-CE2 3.89Å; V27-Y29 HydrophobicContact CG1-CD2 4.1Å; V27-Y29 HydrophobicContact CG1-CE1 4.45Å; V27-Y29 HydrophobicContact CG1-CE2 3.4Å; V27-E40 PolarHBondContact N-O 3.41Å; V27-E40 PolarHBondContact O-N 2.99Å
28L92.1Very high83.4Confident0 Ų061.3 Ų61.30%032%0.32CS..EExtended strand (participates in β ladder)trans-109.7113.3-173.3178.455.6000109.5H4 V5 K6 L39 L73 W116 T119 I123H4-L28 CarbonylContact C-O 3.51Å; H4-L28 WeakPolarHBondContact CA-O 3.39Å; V5-L28 PolarHBondContact N-O 2.99Å; K6-L28 HydrophobicContact CB-CB 3.85Å; K6-L28 HydrophobicContact CB-CD2 3.95Å; K6-L28 HydrophobicContact CB-CG 4.39Å; K6-L28 HydrophobicContact CD-CD2 4.39Å; K6-L28 PolarHBondContact N-O 2.93Å; K6-L28 PolarHBondContact O-N 3.46Å; L28-L39 HydrophobicContact CB-CD1 4.19Å; L28-L39 HydrophobicContact CD1-CD1 4.27Å; L28-L73 HydrophobicContact CD1-CD1 3.59Å; L28-W116 HydrophobicContact CB-CH2 4.39Å; L28-W116 HydrophobicContact CB-CZ3 4Å; L28-W116 HydrophobicContact CD2-CE3 4.47Å; L28-W116 HydrophobicContact CD2-CZ3 4.27Å; L28-T119 HydrophobicContact CD2-CG2 3.74Å; L28-I123 HydrophobicContact CD1-CD1 4.19Å; L28-I123 HydrophobicContact CD2-CD1 4.05Å; L28-I123 HydrophobicContact CG-CD1 3.88Å
29Y91Very high85.1Confident39 Ų3959 Ų5915%0.15330%0.297CS..EExtended strand (participates in β ladder)trans-105.2130.7177.7-65.2-89.2000110.1D2 A3 H4 V27 A37 R38 E40D2-Y29 HydrophobicContact CB-CD1 3.81Å; D2-Y29 HydrophobicContact CB-CE1 3.88Å; A3-Y29 WeakPolarHBondContact O-CD1 3.47Å; H4-Y29 HydrophobicContact CB-CD1 4.06Å; H4-Y29 HydrophobicContact CB-CE1 3.88Å; V27-Y29 HydrophobicContact CB-CE2 3.89Å; V27-Y29 HydrophobicContact CG1-CD2 4.1Å; V27-Y29 HydrophobicContact CG1-CE1 4.45Å; V27-Y29 HydrophobicContact CG1-CE2 3.4Å; Y29-A37 WeakPolarHBondContact O-CA 3.26Å; Y29-R38 HydrophobicContact CD2-CG 4.24Å; Y29-R38 HydrophobicContact CG-CG 4.46Å; Y29-R38 PolarHBondContact N-O 2.82Å; Y29-R38 PolarHBondContact O-N 3.16Å; Y29-E40 HydrophobicContact CD2-CG 3.93Å; Y29-E40 HydrophobicContact CE2-CB 4.47Å; Y29-E40 VanDerWaalsContact CE2-CD 3.48Å; Y29-E40 HydrophobicContact CE2-CG 3.95Å; Y29-E40 VanDerWaalsContact CE2-OE2 3.23Å; Y29-E40 WeakPolarHBondContact CE2-OE2 3.36Å
30P89.8Confident86.1Confident32 Ų3253.8 Ų53.821%0.20827%0.274CS..  trans-73.7171.9170.935.6-36.6000111.1A3 V5 I123A3-P30 WeakPolarHBondContact O-CD 3.38Å; V5-P30 HydrophobicContact CG2-CB 4.17Å; V5-P30 HydrophobicContact CG2-CG 3.7Å; P30-I123 HydrophobicContact CB-CD1 4.23Å; P30-I123 HydrophobicContact CB-CG2 4.37Å
31A85.7Confident86.6Confident76 Ų7646.9 Ų46.963%0.62824%0.244SC*.  trans-66.1139.5162.900000109.5A37A31-A37 HydrophobicContact CB-CB 4.09Å
32S78.5Confident86.5Confident57 Ų5747.4 Ų47.440%0.39925%0.248SC..BIsolated β-bridgetrans-151.6168.1178.267.80000110.8N34 G35S32-N34 PolarHBondContact O-N 3.45Å; S32-N34 PolarHBondContact OG-N 2.87Å; S32-G35 PolarHBondContact N-O 2.69Å; S32-G35 PolarHBondContact O-N 2.77Å; S32-G35 PolarHBondContact OG-N 3.12Å; S32-G35 PolarHBondContact OG-O 3.05Å
33Q67.7Low86Confident167 Ų16746.3 Ų46.378%0.7824%0.244SC*.THydrogen-bonded Turntrans-56.3-15.7174.3-167.359.659.900114.1
34N66Low84.4Confident125 Ų12543.8 Ų43.867%0.66824%0.238SC*.THydrogen-bonded Turntrans-111.2-13.5-176.7-69.8103.6000114.6S32S32-N34 PolarHBondContact O-N 3.45Å; S32-N34 PolarHBondContact OG-N 2.87Å
35G78.7Confident82.5Confident20 Ų2049.2 Ų49.221%0.20627%0.274CS..BIsolated β-bridgetrans-173156.1-17400000114.8S32S32-G35 PolarHBondContact N-O 2.69Å; S32-G35 PolarHBondContact O-N 2.77Å; S32-G35 PolarHBondContact OG-N 3.12Å; S32-G35 PolarHBondContact OG-O 3.05Å
36I88.6Confident80.3Confident88 Ų8849.4 Ų49.445%0.45129%0.291SS..  trans-73.5154.2-179.861.7169.6000112.8R38 R72I36-R38 WeakPolarHBondContact O-CG 3.48Å; I36-R38 PolarHBondContact O-N 2.91Å; I36-R38 PolarHBondContact O-NH1 3.42Å; I36-R38 VanDerWaalsContact O-NH1 3.07Å; I36-R72 HydrophobicContact CD1-CB 4.46Å; I36-R72 HydrophobicContact CD1-CG 3.76Å
37A91.9Very high77.7Confident14 Ų1453.1 Ų53.112%0.11633%0.329CS..  trans-61.5120.4168.800000111.3Y29 A31 L73 I123Y29-A37 WeakPolarHBondContact O-CA 3.26Å; A31-A37 HydrophobicContact CB-CB 4.09Å; A37-L73 HydrophobicContact CB-CB 4.06Å; A37-L73 HydrophobicContact CB-CD1 4.26Å; A37-L73 PolarHBondContact O-N 2.67Å; A37-I123 HydrophobicContact CB-CG2 3.84Å
38R93Very high74.8Confident34 Ų3457.4 Ų57.413%0.12837%0.366CS..EExtended strand (participates in β ladder)trans-158.5143.4-171.463.4-168.3-169.9-89.13.3113.2D2 Y29 I36 E40 I70 I71D2-R38 IonicContact OD2-CZ 3.82Å; D2-R38 VanDerWaalsContact OD2-CZ 3.26Å; D2-R38 IonicContact OD2-NH1 2.6Å; D2-R38 PolarHBondContact OD2-NH1 3.37Å; D2-R38 IonicContact OD2-NH2 2.72Å; D2-R38 PolarHBondContact OD2-NH2 2.87Å; Y29-R38 HydrophobicContact CD2-CG 4.24Å; Y29-R38 HydrophobicContact CG-CG 4.46Å; Y29-R38 PolarHBondContact N-O 2.82Å; Y29-R38 PolarHBondContact O-N 3.16Å; I36-R38 WeakPolarHBondContact O-CG 3.48Å; I36-R38 PolarHBondContact O-N 2.91Å; I36-R38 PolarHBondContact O-NH1 3.42Å; I36-R38 VanDerWaalsContact O-NH1 3.07Å; R38-E40 HydrophobicContact CG-CG 4.08Å; R38-E40 IonicContact CZ-OE1 2.68Å; R38-E40 IonicContact NE-OE1 3.58Å; R38-E40 PolarHBondContact NE-OE1 2.87Å; R38-E40 IonicContact NH2-OE1 3.28Å; R38-I70 HydrophobicContact CB-CG2 3.88Å; R38-I70 HydrophobicContact CG-CG2 4.46Å; R38-I71 CarbonylContact C-O 3.56Å; R38-I71 WeakPolarHBondContact CA-O 3.16Å
39L92.8Very high72.2Confident0 Ų061.8 Ų61.80%041%0.411CS..EExtended strand (participates in β ladder)trans-99.9118.4167.3-17870.3000108.7F26 L28 I70 I71 L73 F106 W116 M120F26-L39 HydrophobicContact CB-CD1 4.25Å; F26-L39 HydrophobicContact CD1-CD1 4Å; F26-L39 HydrophobicContact CD1-CD2 3.9Å; F26-L39 HydrophobicContact CD1-CG 3.94Å; F26-L39 HydrophobicContact CE1-CD2 4.24Å; L28-L39 HydrophobicContact CB-CD1 4.19Å; L28-L39 HydrophobicContact CD1-CD1 4.27Å; L39-I70 WeakPolarHBondContact O-CA 3.35Å; L39-I71 HydrophobicContact CB-CB 4.37Å; L39-I71 HydrophobicContact CD2-CD1 4.33Å; L39-I71 PolarHBondContact N-O 3.47Å; L39-I71 PolarHBondContact O-N 2.97Å; L39-L73 HydrophobicContact CB-CD2 4.43Å; L39-F106 HydrophobicContact CD2-CE2 4.28Å; L39-F106 HydrophobicContact CD2-CZ 4.15Å; L39-W116 HydrophobicContact CD1-CH2 4.5Å; L39-W116 HydrophobicContact CD1-CZ3 3.68Å; L39-M120 HydrophobicContact CD1-CE 4.33Å; L39-M120 HydrophobicContact CD2-CE 3.69Å; L39-M120 HydrophobicContact CD2-SD 4.1Å
40E92.8Very high69.3Low6 Ų663.5 Ų63.53%0.02844%0.441CS..EExtended strand (participates in β ladder)trans-107.2136.1179.8-53.9-168.9147.200110.3F26 V27 Y29 R38 K68 I70F26-E40 CarbonylContact C-O 3.56Å; F26-E40 WeakPolarHBondContact CA-O 3.2Å; V27-E40 PolarHBondContact N-O 3.41Å; V27-E40 PolarHBondContact O-N 2.99Å; Y29-E40 HydrophobicContact CD2-CG 3.93Å; Y29-E40 HydrophobicContact CE2-CB 4.47Å; Y29-E40 VanDerWaalsContact CE2-CD 3.48Å; Y29-E40 HydrophobicContact CE2-CG 3.95Å; Y29-E40 VanDerWaalsContact CE2-OE2 3.23Å; Y29-E40 WeakPolarHBondContact CE2-OE2 3.36Å; R38-E40 HydrophobicContact CG-CG 4.08Å; R38-E40 IonicContact CZ-OE1 2.68Å; R38-E40 IonicContact NE-OE1 3.58Å; R38-E40 PolarHBondContact NE-OE1 2.87Å; R38-E40 IonicContact NH2-OE1 3.28Å; E40-K68 VanDerWaalsContact OE1-CE 3.22Å; E40-K68 WeakPolarHBondContact OE1-CE 3.09Å; E40-K68 IonicContact OE1-NZ 2.68Å; E40-K68 PolarHBondContact OE1-NZ 2.9Å; E40-K68 WeakPolarHBondContact OE2-CE 3.47Å; E40-K68 IonicContact OE2-NZ 3.62Å; E40-K68 PolarHBondContact OE2-NZ 3.01Å; E40-I70 HydrophobicContact CG-CG1 4.28Å; E40-I70 HydrophobicContact CG-CG2 4.42Å
41F89.5Confident67Low8 Ų868.3 Ų68.34%0.03548%0.475CS..EExtended strand (participates in β ladder)trans-147.8147.6175.969-79.9000113.1N24 W25 F26 K69 I71N24-F41 HydrophobicContact CB-CD2 4.48Å; W25-F41 VanDerWaalsContact O-CA 3.31Å; W25-F41 WeakPolarHBondContact O-CA 3.46Å; W25-F41 WeakPolarHBondContact O-CB 3.22Å; F26-F41 HydrophobicContact CD1-CB 3.46Å; F26-F41 VanDerWaalsContact CD1-CB 3.46Å; F26-F41 HydrophobicContact CD1-CD1 4.2Å; F26-F41 AromaticContact CD1-CG 3.97Å; F26-F41 HydrophobicContact CD1-CG 3.97Å; F26-F41 HydrophobicContact CD2-CB 4.2Å; F26-F41 HydrophobicContact CE1-CB 3.42Å; F26-F41 VanDerWaalsContact CE1-CB 3.42Å; F26-F41 AromaticContact CE1-CD1 3.66Å; F26-F41 HydrophobicContact CE1-CD1 3.66Å; F26-F41 AromaticContact CE1-CD2 3.96Å; F26-F41 HydrophobicContact CE1-CD2 3.96Å; F26-F41 HydrophobicContact CE1-CE1 4.35Å; F26-F41 AromaticContact CE1-CG 3.43Å; F26-F41 HydrophobicContact CE1-CG 3.43Å; F26-F41 VanDerWaalsContact CE1-CG 3.43Å; F26-F41 HydrophobicContact CE2-CB 4.17Å; F26-F41 HydrophobicContact CG-CB 3.85Å; F26-F41 HydrophobicContact CZ-CB 3.79Å; F26-F41 HydrophobicContact CZ-CD1 4.38Å; F26-F41 AromaticContact CZ-CD2 3.84Å; F26-F41 HydrophobicContact CZ-CD2 3.84Å; F26-F41 HydrophobicContact CZ-CE2 4.48Å; F26-F41 AromaticContact CZ-CG 3.78Å; F26-F41 HydrophobicContact CZ-CG 3.78Å; F41-K69 HydrophobicContact CD1-CB 3.94Å; F41-K69 HydrophobicContact CD2-CB 4.2Å; F41-K69 HydrophobicContact CE1-CB 3.53Å; F41-K69 HydrophobicContact CE2-CB 3.82Å; F41-K69 HydrophobicContact CE2-CD 3.8Å; F41-K69 HydrophobicContact CE2-CG 4.4Å; F41-K69 HydrophobicContact CG-CB 4.26Å; F41-K69 HydrophobicContact CZ-CB 3.47Å; F41-K69 VanDerWaalsContact CZ-CB 3.47Å; F41-K69 HydrophobicContact CZ-CD 3.86Å; F41-K69 HydrophobicContact CZ-CG 4.26Å; F41-K69 PolarHBondContact N-O 2.91Å; F41-K69 PolarHBondContact O-N 3.32Å; F41-I71 HydrophobicContact CE1-CD1 3.81Å; F41-I71 HydrophobicContact CE1-CG1 4.24Å
42F82.1Confident64.3Low66 Ų6668.4 Ų68.429%0.28948%0.484SS..EExtended strand (participates in β ladder)trans-102.2125.1-173.8-59.6-82.7000110.9N24 W25 S44 L66 K68N24-F42 PolarHBondContact ND2-O 2.68Å; W25-F42 PolarHBondContact O-N 2.81Å; F42-S44 PolarHBondContact O-N 2.92Å; F42-L66 HydrophobicContact CB-CB 4.28Å; F42-L66 HydrophobicContact CB-CD1 4.05Å; F42-L66 HydrophobicContact CD1-CB 3.95Å; F42-L66 HydrophobicContact CD1-CD1 4.15Å; F42-L66 HydrophobicContact CG-CD1 4.26Å; F42-K68 HydrophobicContact CD1-CB 4.04Å; F42-K68 HydrophobicContact CD1-CG 4.29Å; F42-K68 HydrophobicContact CE1-CB 3.94Å; F42-K68 HydrophobicContact CE1-CD 4Å; F42-K68 HydrophobicContact CE1-CG 3.87Å; F42-K68 HydrophobicContact CZ-CD 4.37Å; F42-K68 HydrophobicContact CZ-CG 4.44Å
43D74.3Confident62.4Low26 Ų2669.3 Ų69.314%0.13950%0.502CS..  trans-81.187.4-179.4-150.36.6000112.1K22 N24 D67 K69K22-D43 WeakPolarHBondContact CD-OD1 3.5Å; K22-D43 WeakPolarHBondContact CE-OD1 3.45Å; K22-D43 IonicContact NZ-OD1 2.67Å; K22-D43 PolarHBondContact NZ-OD1 2.95Å; N24-D43 PolarHBondContact ND2-OD1 2.85Å; D43-D67 HydrophobicContact CB-CB 4.41Å; D43-D67 PolarHBondContact N-O 2.82Å; D43-D67 VanDerWaalsContact N-O 3.12Å; D43-K69 HydrophobicContact CB-CD 4.31Å; D43-K69 IonicContact OD2-NZ 2.64Å; D43-K69 PolarHBondContact OD2-NZ 3.38Å
44S54Low60.7Low41 Ų4167.5 Ų67.529%0.28751%0.507SS..  trans-60126.3-176.557.30000112.1K22 F42 S46K22-S44 WeakPolarHBondContact CE-O 3.28Å; K22-S44 PolarHBondContact NZ-O 3.07Å; F42-S44 PolarHBondContact O-N 2.92Å; S44-S46 PolarHBondContact O-N 2.74Å
45P50.1Low59.5Low120 Ų12066.8 Ų66.878%0.77951%0.513SS*.  trans-76.670.517930.4-35000111.8G47P45-G47 PolarHBondContact O-N 2.88Å
46S42.8Very low57.4Low108 Ų10872.2 Ų72.276%0.75554%0.541SS*.  trans-79.1110.3172.8-173.80000110S44S44-S46 PolarHBondContact O-N 2.74Å
47G37Very low54.6Low77 Ų7773.6 Ų73.679%0.79456%0.559SS**  trans-171.818-169.700000117.6P45P45-G47 PolarHBondContact O-N 2.88Å
48A32.2Very low51.6Low102 Ų10275.8 Ų75.884%0.84358%0.583SS**  trans-149115.5169.400000110.6
49G37.3Very low48.9Very low91 Ų9179.9 Ų79.994%0.93862%0.617SS**  trans-85123.7165.200000109.1
50G31.7Very low45.9Very low76 Ų7685.7 Ų85.778%0.78465%0.648SS**  trans-162.4121.7179.200000110.5
51S39.7Very low43.3Very low132 Ų13294.8 Ų94.892%0.92369%0.69SS**  trans-71.4129.5178.153.20000111.6
52G29.3Very low40.7Very low79 Ų79103.8 Ų103.881%0.81473%0.729SS**  trans166.7112.217000000111.4
53G39Very low38.7Very low76 Ų76106 Ų10678%0.78475%0.748SS**  trans-87.7141.3176.800000111.9
54S32.2Very low37.2Very low128 Ų128115.6 Ų115.690%0.89578%0.783SS**  trans-157140156.2-82.70000110.1
55S41.3Very low36.7Very low111 Ų111123.3 Ų123.378%0.77681%0.811SS**  trans-81.3-169.4164.553.30000110.3
56V33.8Very low36.8Very low133 Ų133121.4 Ų121.481%0.80679%0.794SS**  trans84.7100.9-166.5-175.30000110.7
57S30.7Very low37.6Very low118 Ų118122.1 Ų122.183%0.82579%0.789SS**  75.6141.658.1-167.80000113.6
58G29Very low39.6Very low60 Ų60123 Ų12362%0.61977%0.771SS**  trans98.386.8165.700000117.8
59S36.4Very low42.1Very low120 Ų120121.8 Ų121.884%0.83975%0.747SS**  trans39.686.4132.161.60000120.1
60N29.2Very low44.7Very low121 Ų121121.1 Ų121.165%0.64772%0.721SS**  trans-159.780.3140.8-150.5-31.1000114.3K62N60-K62 VanDerWaalsContact C-N 3.34Å; N60-K62 PolarHBondContact O-N 2.91Å
61E37.4Very low47.5Very low198 Ų198117.5 Ų117.593%0.92568%0.684SS**  trans-80.7-1.5179.2-90.8172.783.100115.5
62K36.2Very low49.9Very low197 Ų197117 Ų11786%0.85766%0.662SS**SBendtrans-98.7-5.6-162.6-74.3-173174.31790117.3N60N60-K62 VanDerWaalsContact C-N 3.34Å; N60-K62 PolarHBondContact O-N 2.91Å
63T39.6Very low52.9Low112 Ų112113.3 Ų113.369%0.68762%0.623SS**SBendtrans-129.50.5-170.751.70000116.9
64R42.1Very low55.2Low227 Ų227114.2 Ų114.286%0.85762%0.617SS**  trans-95.790166.1-61.3-168.8-163.7-156.46.1109.9L66R64-L66 VanDerWaalsContact C-N 3.28Å; R64-L66 PolarHBondContact O-N 2.72Å
65K43.4Very low57.9Low203 Ų203110.1 Ų110.188%0.88358%0.584SS**  trans-64.292.2164.6-75.5-173.7177.4-178.30108.6
66L52.7Low60.2Low81 Ų81105.6 Ų105.642%0.42455%0.552SS.*  trans-59.7138160.6-64.5172000107.7F42 R64 K68F42-L66 HydrophobicContact CB-CB 4.28Å; F42-L66 HydrophobicContact CB-CD1 4.05Å; F42-L66 HydrophobicContact CD1-CB 3.95Å; F42-L66 HydrophobicContact CD1-CD1 4.15Å; F42-L66 HydrophobicContact CG-CD1 4.26Å; R64-L66 VanDerWaalsContact C-N 3.28Å; R64-L66 PolarHBondContact O-N 2.72Å; L66-K68 PolarHBondContact O-N 2.6Å
67D59.6Low62.9Low123 Ų123103.6 Ų103.666%0.65854%0.536SS*.  trans-67.989.1174.5-79.7-42.2000109.3D43 K69D43-D67 HydrophobicContact CB-CB 4.41Å; D43-D67 PolarHBondContact N-O 2.82Å; D43-D67 VanDerWaalsContact N-O 3.12Å; D67-K69 PolarHBondContact O-N 3.5Å; D67-K69 VanDerWaalsContact O-N 3.16Å
68K79.1Confident65.7Low95 Ų9599 Ų9941%0.41350%0.504SS..EExtended strand (participates in β ladder)trans-70.4102.7177.1179.9179.5174.8175.70108.4E40 F42 L66 I70E40-K68 VanDerWaalsContact OE1-CE 3.22Å; E40-K68 WeakPolarHBondContact OE1-CE 3.09Å; E40-K68 IonicContact OE1-NZ 2.68Å; E40-K68 PolarHBondContact OE1-NZ 2.9Å; E40-K68 WeakPolarHBondContact OE2-CE 3.47Å; E40-K68 IonicContact OE2-NZ 3.62Å; E40-K68 PolarHBondContact OE2-NZ 3.01Å; F42-K68 HydrophobicContact CD1-CB 4.04Å; F42-K68 HydrophobicContact CD1-CG 4.29Å; F42-K68 HydrophobicContact CE1-CB 3.94Å; F42-K68 HydrophobicContact CE1-CD 4Å; F42-K68 HydrophobicContact CE1-CG 3.87Å; F42-K68 HydrophobicContact CZ-CD 4.37Å; F42-K68 HydrophobicContact CZ-CG 4.44Å; L66-K68 PolarHBondContact O-N 2.6Å; K68-I70 HydrophobicContact CG-CG1 4.26Å
69K85.7Confident68.7Low77 Ų7796.8 Ų96.834%0.33548%0.478SS..EExtended strand (participates in β ladder)trans-86136.7173.4-70.9172.3178.1175.60108.3F41 D43 D67F41-K69 HydrophobicContact CD1-CB 3.94Å; F41-K69 HydrophobicContact CD2-CB 4.2Å; F41-K69 HydrophobicContact CE1-CB 3.53Å; F41-K69 HydrophobicContact CE2-CB 3.82Å; F41-K69 HydrophobicContact CE2-CD 3.8Å; F41-K69 HydrophobicContact CE2-CG 4.4Å; F41-K69 HydrophobicContact CG-CB 4.26Å; F41-K69 HydrophobicContact CZ-CB 3.47Å; F41-K69 VanDerWaalsContact CZ-CB 3.47Å; F41-K69 HydrophobicContact CZ-CD 3.86Å; F41-K69 HydrophobicContact CZ-CG 4.26Å; F41-K69 PolarHBondContact N-O 2.91Å; F41-K69 PolarHBondContact O-N 3.32Å; D43-K69 HydrophobicContact CB-CD 4.31Å; D43-K69 IonicContact OD2-NZ 2.64Å; D43-K69 PolarHBondContact OD2-NZ 3.38Å; D67-K69 PolarHBondContact O-N 3.5Å; D67-K69 VanDerWaalsContact O-N 3.16Å
70I89.9Confident71.2Confident76 Ų7695.9 Ų95.939%0.3946%0.463SS..EExtended strand (participates in β ladder)trans-124.6136.3179.3-53.6-179000107R38 L39 E40 K68R38-I70 HydrophobicContact CB-CG2 3.88Å; R38-I70 HydrophobicContact CG-CG2 4.46Å; L39-I70 WeakPolarHBondContact O-CA 3.35Å; E40-I70 HydrophobicContact CG-CG1 4.28Å; E40-I70 HydrophobicContact CG-CG2 4.42Å; K68-I70 HydrophobicContact CG-CG1 4.26Å
71I90.6Very high73.9Confident1 Ų193.7 Ų93.71%0.00546%0.456CS..EExtended strand (participates in β ladder)trans-113.4120.6167-67.8159.7000105.5R38 L39 F41 T99 H104 F106R38-I71 CarbonylContact C-O 3.56Å; R38-I71 WeakPolarHBondContact CA-O 3.16Å; L39-I71 HydrophobicContact CB-CB 4.37Å; L39-I71 HydrophobicContact CD2-CD1 4.33Å; L39-I71 PolarHBondContact N-O 3.47Å; L39-I71 PolarHBondContact O-N 2.97Å; F41-I71 HydrophobicContact CE1-CD1 3.81Å; F41-I71 HydrophobicContact CE1-CG1 4.24Å; I71-T99 HydrophobicContact CG2-CG2 3.85Å; I71-H104 VanDerWaalsContact CD1-CD2 3.45Å; I71-H104 WeakPolarHBondContact CD1-CD2 3.19Å; I71-F106 HydrophobicContact CD1-CE2 4.49Å; I71-F106 HydrophobicContact CD1-CZ 3.86Å
72R91.8Very high76Confident121 Ų12184.7 Ų84.746%0.45742%0.415SS..EExtended strand (participates in β ladder)trans-77.1136.2171.2-54-169.9176.9114.9-10.5108.1I36 S74 E75I36-R72 HydrophobicContact CD1-CB 4.46Å; I36-R72 HydrophobicContact CD1-CG 3.76Å; R72-S74 PolarHBondContact O-N 3.19Å; R72-E75 HydrophobicContact CB-CB 4.36Å; R72-E75 HydrophobicContact CB-CG 3.94Å; R72-E75 WeakPolarHBondContact CB-OE2 3.33Å; R72-E75 VanDerWaalsContact CD-OE1 3.26Å; R72-E75 WeakPolarHBondContact CD-OE1 3.26Å; R72-E75 IonicContact CZ-OE1 2.69Å; R72-E75 IonicContact NE-OE1 2.62Å; R72-E75 IonicContact NH1-OE1 3.88Å; R72-E75 PolarHBondContact NH1-OE1 2.97Å; R72-E75 WeakPolarHBondContact O-CB 3.37Å; R72-E75 PolarHBondContact O-N 2.97Å
73L90.8Very high77.3Confident2 Ų283.1 Ų83.11%0.0142%0.415CS..G310 helixtrans-75.2-20.1179.7-62173.3000112L28 A37 L39 E75 C76 M120 I123 A124L28-L73 HydrophobicContact CD1-CD1 3.59Å; A37-L73 HydrophobicContact CB-CB 4.06Å; A37-L73 HydrophobicContact CB-CD1 4.26Å; A37-L73 PolarHBondContact O-N 2.67Å; L39-L73 HydrophobicContact CB-CD2 4.43Å; L73-E75 PolarHBondContact O-N 2.69Å; L73-C76 WeakPolarHBondContact O-CB 3.22Å; L73-C76 PolarHBondContact O-N 3.4Å; L73-M120 HydrophobicContact CD2-CG 3.67Å; L73-M120 HydrophobicContact CD2-SD 4.06Å; L73-I123 HydrophobicContact CD1-CB 3.95Å; L73-I123 HydrophobicContact CD1-CG2 3.41Å; L73-I123 VanDerWaalsContact CD1-CG2 3.41Å; L73-A124 HydrophobicContact CB-CB 4.11Å
74S87.8Confident78.3Confident94 Ų9484.2 Ų84.266%0.65742%0.422SS*.G310 helixtrans-68-7.516664.40000114.7R72R72-S74 PolarHBondContact O-N 3.19Å
75E88.3Confident79.4Confident43 Ų4375.5 Ų75.520%0.20139%0.391CS..G310 helixtrans-103-1.5175.4-67.4162.317700111.9R72 L73 T99 N100R72-E75 HydrophobicContact CB-CB 4.36Å; R72-E75 HydrophobicContact CB-CG 3.94Å; R72-E75 WeakPolarHBondContact CB-OE2 3.33Å; R72-E75 VanDerWaalsContact CD-OE1 3.26Å; R72-E75 WeakPolarHBondContact CD-OE1 3.26Å; R72-E75 IonicContact CZ-OE1 2.69Å; R72-E75 IonicContact NE-OE1 2.62Å; R72-E75 IonicContact NH1-OE1 3.88Å; R72-E75 PolarHBondContact NH1-OE1 2.97Å; R72-E75 WeakPolarHBondContact O-CB 3.37Å; R72-E75 PolarHBondContact O-N 2.97Å; L73-E75 PolarHBondContact O-N 2.69Å; E75-T99 CarbonylContact O-C 3.59Å; E75-T99 WeakPolarHBondContact O-CA 3.45Å; E75-T99 VanDerWaalsContact O-CB 3.28Å; E75-T99 WeakPolarHBondContact O-CB 3.49Å; E75-N100 PolarHBondContact O-N 2.88Å; E75-N100 VanDerWaalsContact O-N 3.07Å
76C89.8Confident80.2Confident15 Ų1569.7 Ų69.710%0.10138%0.376CS..EExtended strand (participates in β ladder)trans-77.7127178.2-66.40000111.4L73 E98 A124 F125L73-C76 WeakPolarHBondContact O-CB 3.22Å; L73-C76 PolarHBondContact O-N 3.4Å; C76-E98 CarbonylContact C-O 3.03Å; C76-E98 VanDerWaalsContact CA-O 3.31Å; C76-E98 WeakPolarHBondContact CA-O 3.41Å; C76-A124 HydrophobicContact CB-CB 4.29Å; C76-F125 HydrophobicContact CB-CZ 4.41Å
77I91.2Very high81Confident91 Ų9168.1 Ų68.147%0.46737%0.371SS..EExtended strand (participates in β ladder)trans-91.9-45173.9-62.7162.3000110.1E98 N100I77-E98 HydrophobicContact CB-CB 4.45Å; I77-E98 HydrophobicContact CB-CG 4.23Å; I77-E98 HydrophobicContact CD1-CG 4.36Å; I77-E98 PolarHBondContact N-O 2.88Å; I77-N100 WeakPolarHBondContact CG1-OD1 3.18Å
78S89.2Confident81.2Confident23 Ų2364.3 Ų64.316%0.16135%0.353CS..EExtended strand (participates in β ladder)trans-148.1150.2-177.777.10000111.6E98S78-E98 PolarHBondContact O-N 2.89Å; S78-E98 WeakPolarHBondContact OG-CB 3.46Å; S78-E98 PolarHBondContact OG-OE2 2.87Å
79I91.5Very high80.7Confident13 Ų1365.9 Ų65.97%0.06736%0.36CS..EExtended strand (participates in β ladder)trans-132.2112.7171.6-59.8178.5000106.7C96 V97 M117 M120 A124 F125I79-C96 WeakPolarHBondContact CA-O 3.32Å; I79-V97 HydrophobicContact CG1-CG1 4.22Å; I79-V97 HydrophobicContact CG1-CG2 4.19Å; I79-V97 HydrophobicContact CG2-CG2 4.27Å; I79-M117 HydrophobicContact CG2-CB 4.45Å; I79-M117 HydrophobicContact CG2-CG 4.09Å; I79-M120 HydrophobicContact CD1-CB 3.99Å; I79-M120 HydrophobicContact CD1-CG 3.67Å; I79-M120 HydrophobicContact CD1-SD 3.99Å; I79-A124 HydrophobicContact CD1-CB 4.12Å; I79-F125 HydrophobicContact CB-CE2 4.17Å; I79-F125 HydrophobicContact CD1-CE2 3.96Å; I79-F125 HydrophobicContact CD1-CZ 4.36Å; I79-F125 HydrophobicContact CG1-CE2 3.9Å; I79-F125 HydrophobicContact CG1-CZ 4.11Å
80L89.2Confident80.1Confident101 Ų10170.3 Ų70.353%0.52939%0.387SS..EExtended strand (participates in β ladder)trans-142.3144.6-166.5-67.9174.1000112.4A82 F95 C96L80-A82 PolarHBondContact O-N 3.27Å; L80-F95 CarbonylContact O-C 3.45Å; L80-F95 WeakPolarHBondContact O-CA 3.39Å; L80-C96 PolarHBondContact N-O 2.81Å; L80-C96 PolarHBondContact O-N 3.03Å
81P86.8Confident79.6Confident75 Ų7573.3 Ų73.349%0.48740%0.404SS..EExtended strand (participates in β ladder)trans-59.8128.1172.2-23.233.6000112.3L83 M117P81-L83 VanDerWaalsContact C-N 3.29Å; P81-L83 HydrophobicContact CB-CD2 4.06Å; P81-L83 HydrophobicContact CB-CG 4.23Å; P81-L83 PolarHBondContact O-N 2.73Å; P81-M117 HydrophobicContact CB-SD 4.39Å; P81-M117 HydrophobicContact CG-CE 4.32Å; P81-M117 HydrophobicContact CG-SD 3.9Å
82A80.1Confident79.3Confident9 Ų974.3 Ų74.37%0.07441%0.409CS..  trans-8866.6-177.700000110.7L80 T84 E85 A94 V105L80-A82 PolarHBondContact O-N 3.27Å; A82-T84 PolarHBondContact O-N 2.93Å; A82-E85 HydrophobicContact CB-CB 4.22Å; A82-E85 HydrophobicContact CB-CG 4.34Å; A82-E85 PolarHBondContact O-N 3.49Å; A82-A94 HydrophobicContact CB-CB 3.82Å; A82-A94 PolarHBondContact N-O 3.24Å; A82-V105 HydrophobicContact CB-CG1 4.19Å
83L64.5Low79Confident163 Ų16369.9 Ų69.985%0.85340%0.398SS*.THydrogen-bonded Turntrans-60.4-11.7-172.3-60.4177.2000115.1P81P81-L83 VanDerWaalsContact C-N 3.29Å; P81-L83 HydrophobicContact CB-CD2 4.06Å; P81-L83 HydrophobicContact CB-CG 4.23Å; P81-L83 PolarHBondContact O-N 2.73Å
84T60.6Low79Confident135 Ų13570 Ų7083%0.82840%0.399SS*.THydrogen-bonded Turntrans-113.2-2.6-175.751.70000114.2A82A82-T84 PolarHBondContact O-N 2.93Å
85E65.3Low79.1Confident45 Ų4565.5 Ų65.521%0.2137%0.368CS..SBendtrans-92.9140.8-177.7-80-63.7143.100113.1Q13 K19 A82 C87 A94 V105Q13-E85 PolarHBondContact NE2-OE2 2.8Å; K19-E85 WeakPolarHBondContact CE-OE2 3.15Å; K19-E85 IonicContact NZ-OE1 3.36Å; K19-E85 PolarHBondContact NZ-OE1 3.43Å; K19-E85 IonicContact NZ-OE2 3.41Å; K19-E85 PolarHBondContact NZ-OE2 3.07Å; A82-E85 HydrophobicContact CB-CB 4.22Å; A82-E85 HydrophobicContact CB-CG 4.34Å; A82-E85 PolarHBondContact O-N 3.49Å; E85-C87 PolarHBondContact O-N 3.22Å; E85-A94 HydrophobicContact CB-CB 4.4Å; E85-V105 HydrophobicContact CB-CG1 4.49Å; E85-V105 HydrophobicContact CG-CG1 4.24Å
86S60.8Low79.2Confident81 Ų8164.8 Ų64.857%0.56637%0.368SS*.  trans-71.896.5-178.844.40000111.3W21W21-S86 WeakPolarHBondContact CZ2-O 2.95Å; W21-S86 PolarHBondContact NE1-O 3.23Å
87C68Low79.3Confident47 Ų4764.1 Ų64.132%0.31836%0.363SS..  trans-61.6153-177.5-67.80000112.4E85 K89 M92 A94E85-C87 PolarHBondContact O-N 3.22Å; C87-K89 PolarHBondContact O-N 2.65Å; C87-M92 WeakPolarHBondContact CB-O 3.37Å; C87-M92 PolarHBondContact SG-O 2.79Å; C87-A94 PolarHBondContact SG-N 3.43Å
88P64.3Low79.3Confident43 Ų4363.4 Ų63.428%0.27936%0.357SS..SBendtrans-65.8-22.4-177-17.628.2000114.8Y11 W21 M92 A107Y11-P88 HydrophobicContact CD1-CG 4.49Å; Y11-P88 HydrophobicContact CG-CG 4.21Å; W21-P88 HydrophobicContact CB-CG 4.22Å; W21-P88 HydrophobicContact CD2-CG 3.77Å; W21-P88 HydrophobicContact CE3-CG 4.26Å; W21-P88 HydrophobicContact CG-CB 4.35Å; W21-P88 HydrophobicContact CG-CG 3.74Å; P88-M92 HydrophobicContact CB-SD 3.97Å; P88-M92 HydrophobicContact CG-SD 4.09Å; P88-A107 HydrophobicContact CG-CB 3.97Å
89K69.7Low79.3Confident129 Ų12962.5 Ų62.556%0.56135%0.351SS*.SBendtrans-157.3155.1-179.6-60.5-173179.9-175.10108.9C87 N91 M92C87-K89 PolarHBondContact O-N 2.65Å; K89-N91 PolarHBondContact O-N 2.84Å; K89-M92 HydrophobicContact CB-CG 4.2Å; K89-M92 HydrophobicContact CB-SD 4.1Å; K89-M92 HydrophobicContact CD-CE 4.21Å; K89-M92 HydrophobicContact CD-SD 4.34Å; K89-M92 HydrophobicContact CG-SD 4.14Å; K89-M92 WeakPolarHBondContact O-CB 3.31Å; K89-M92 PolarHBondContact O-N 2.85Å
90D71.4Confident79.2Confident170 Ų17067.2 Ų67.291%0.90938%0.377SS*.THydrogen-bonded Turntrans-63.9-25.1-176.7-48.4-59.1000114.4M92D90-M92 VanDerWaalsContact C-N 3.31Å
91N79.2Confident79Confident139 Ų13968.9 Ų68.974%0.74339%0.386SS*.THydrogen-bonded Turntrans-86.62.9176.6-66.6-42.1000113.8K89 K110K89-N91 PolarHBondContact O-N 2.84Å; N91-K110 PolarHBondContact O-N 3.21Å; N91-K110 VanDerWaalsContact O-N 3.14Å
92M84.1Confident79Confident21 Ų2169.4 Ų69.410%0.10338%0.38CS..EExtended strand (participates in β ladder)trans-104.4141.3179.6-68.8178.2167.600111.1Y11 C87 P88 K89 D90 A108 E109Y11-M92 HydrophobicContact CD2-CE 4.29Å; Y11-M92 HydrophobicContact CD2-SD 4.21Å; Y11-M92 HydrophobicContact CE2-CE 3.57Å; Y11-M92 HydrophobicContact CE2-SD 4Å; C87-M92 WeakPolarHBondContact CB-O 3.37Å; C87-M92 PolarHBondContact SG-O 2.79Å; P88-M92 HydrophobicContact CB-SD 3.97Å; P88-M92 HydrophobicContact CG-SD 4.09Å; K89-M92 HydrophobicContact CB-CG 4.2Å; K89-M92 HydrophobicContact CB-SD 4.1Å; K89-M92 HydrophobicContact CD-CE 4.21Å; K89-M92 HydrophobicContact CD-SD 4.34Å; K89-M92 HydrophobicContact CG-SD 4.14Å; K89-M92 WeakPolarHBondContact O-CB 3.31Å; K89-M92 PolarHBondContact O-N 2.85Å; D90-M92 VanDerWaalsContact C-N 3.31Å; M92-A108 CarbonylContact C-O 3.57Å; M92-A108 WeakPolarHBondContact CA-O 3.23Å; M92-A108 VanDerWaalsContact CB-O 3.28Å; M92-A108 WeakPolarHBondContact CB-O 3.33Å; M92-E109 HydrophobicContact CE-CG 4.24Å
93A86.3Confident79.5Confident28 Ų2872.6 Ų72.623%0.23140%0.399CS..EExtended strand (participates in β ladder)trans-107.5137.3169.800000109.4A107 A108 K110 A113A93-A107 WeakPolarHBondContact O-CA 3.44Å; A93-A108 PolarHBondContact N-O 3.26Å; A93-A108 PolarHBondContact O-N 3.22Å; A93-A108 VanDerWaalsContact O-N 3.15Å; A93-K110 HydrophobicContact CB-CG 4.47Å; A93-A113 HydrophobicContact CB-CB 3.95Å
94A90.2Very high80.6Confident4 Ų466.3 Ų66.33%0.03337%0.365CS..EExtended strand (participates in β ladder)trans-93.2152.3172.500000111.2W21 A82 E85 C87 V105 F106 A107W21-A94 HydrophobicContact CH2-CB 4.06Å; A82-A94 HydrophobicContact CB-CB 3.82Å; A82-A94 PolarHBondContact N-O 3.24Å; E85-A94 HydrophobicContact CB-CB 4.4Å; C87-A94 PolarHBondContact SG-N 3.43Å; A94-V105 HydrophobicContact CB-CG1 4.35Å; A94-F106 CarbonylContact C-O 3.37Å; A94-F106 WeakPolarHBondContact CA-O 3.31Å; A94-F106 WeakPolarHBondContact CB-O 3.2Å; A94-A107 HydrophobicContact CB-CB 4.18Å
95F90.8Very high82Confident0 Ų060.4 Ų60.40%033%0.329CS..EExtended strand (participates in β ladder)trans-143.1144.517465.7-85.2000111.7L10 L80 V97 V105 F106 A113 W116 M117 M120L10-F95 HydrophobicContact CD1-CZ 4.17Å; L80-F95 CarbonylContact O-C 3.45Å; L80-F95 WeakPolarHBondContact O-CA 3.39Å; F95-V97 HydrophobicContact CD2-CG2 4Å; F95-V97 HydrophobicContact CE2-CG2 3.94Å; F95-V105 WeakPolarHBondContact O-CA 3.5Å; F95-F106 HydrophobicContact CD1-CB 4Å; F95-F106 HydrophobicContact CD2-CB 4.22Å; F95-F106 HydrophobicContact CD2-CD2 4.19Å; F95-F106 HydrophobicContact CE1-CB 3.62Å; F95-F106 HydrophobicContact CE2-CB 3.87Å; F95-F106 AromaticContact CE2-CD2 3.67Å; F95-F106 HydrophobicContact CE2-CD2 3.67Å; F95-F106 HydrophobicContact CE2-CG 4.17Å; F95-F106 HydrophobicContact CG-CB 4.29Å; F95-F106 HydrophobicContact CZ-CB 3.56Å; F95-F106 HydrophobicContact CZ-CD2 4.07Å; F95-F106 HydrophobicContact CZ-CG 4.12Å; F95-F106 PolarHBondContact N-O 2.96Å; F95-F106 PolarHBondContact O-N 2.8Å; F95-A113 HydrophobicContact CD1-CB 4.29Å; F95-W116 HydrophobicContact CE1-CB 4.44Å; F95-W116 HydrophobicContact CZ-CB 4.08Å; F95-M117 HydrophobicContact CB-CE 3.83Å; F95-M117 HydrophobicContact CB-CG 3.65Å; F95-M117 HydrophobicContact CB-SD 3.35Å; F95-M117 WeakPolarHBondContact CB-SD 3.28Å; F95-M117 HydrophobicContact CD1-CG 4.21Å; F95-M117 HydrophobicContact CD2-CG 3.63Å; F95-M117 HydrophobicContact CD2-SD 4.48Å; F95-M117 HydrophobicContact CE2-CG 4.25Å; F95-M117 HydrophobicContact CG-CE 4.37Å; F95-M117 HydrophobicContact CG-CG 3.6Å; F95-M117 HydrophobicContact CG-SD 4.02Å; F95-M120 HydrophobicContact CE2-CE 4.08Å; F95-M120 HydrophobicContact CZ-CE 4.49Å
96C90.4Very high83.3Confident29 Ų2958.3 Ų58.320%0.19632%0.319CS..EExtended strand (participates in β ladder)trans-97.3134175.9-71.10000109.7I79 L80 T103 H104I79-C96 WeakPolarHBondContact CA-O 3.32Å; L80-C96 PolarHBondContact N-O 2.81Å; L80-C96 PolarHBondContact O-N 3.03Å; C96-T103 HydrophobicContact CB-CG2 4.02Å; C96-H104 CarbonylContact C-O 3.59Å; C96-H104 WeakPolarHBondContact CA-O 3.47Å
97V91.8Very high84.8Confident0 Ų054.4 Ų54.40%029%0.292CS..EExtended strand (participates in β ladder)trans-113.7104.4164.1177.10000106.3I79 F95 T99 H104 F106 M120I79-V97 HydrophobicContact CG1-CG1 4.22Å; I79-V97 HydrophobicContact CG1-CG2 4.19Å; I79-V97 HydrophobicContact CG2-CG2 4.27Å; F95-V97 HydrophobicContact CD2-CG2 4Å; F95-V97 HydrophobicContact CE2-CG2 3.94Å; V97-T99 HydrophobicContact CG1-CG2 4.25Å; V97-H104 PolarHBondContact N-O 2.83Å; V97-H104 PolarHBondContact O-N 2.82Å; V97-F106 HydrophobicContact CB-CD2 4.32Å; V97-F106 HydrophobicContact CB-CE2 3.91Å; V97-F106 HydrophobicContact CG2-CD2 3.76Å; V97-F106 HydrophobicContact CG2-CE2 3.69Å; V97-M120 HydrophobicContact CG1-SD 4.31Å; V97-M120 HydrophobicContact CG2-CE 4.42Å; V97-M120 HydrophobicContact CG2-SD 3.69Å
98E91.3Very high85.9Confident76 Ų7652.3 Ų52.336%0.35528%0.278SS..EExtended strand (participates in β ladder)trans-83129.5177.1-169.9174.4-157.200109.5C76 I77 S78 T103C76-E98 CarbonylContact C-O 3.03Å; C76-E98 VanDerWaalsContact CA-O 3.31Å; C76-E98 WeakPolarHBondContact CA-O 3.41Å; I77-E98 HydrophobicContact CB-CB 4.45Å; I77-E98 HydrophobicContact CB-CG 4.23Å; I77-E98 HydrophobicContact CD1-CG 4.36Å; I77-E98 PolarHBondContact N-O 2.88Å; S78-E98 PolarHBondContact O-N 2.89Å; S78-E98 WeakPolarHBondContact OG-CB 3.46Å; S78-E98 PolarHBondContact OG-OE2 2.87Å; E98-T103 HydrophobicContact CB-CG2 4.35Å
99T89.9Confident87.1Confident5 Ų556.2 Ų56.23%0.03129%0.293CS..EExtended strand (participates in β ladder)trans-128158.3175.165.20000110.2I71 E75 V97 D101 K102I71-T99 HydrophobicContact CG2-CG2 3.85Å; E75-T99 CarbonylContact O-C 3.59Å; E75-T99 WeakPolarHBondContact O-CA 3.45Å; E75-T99 VanDerWaalsContact O-CB 3.28Å; E75-T99 WeakPolarHBondContact O-CB 3.49Å; V97-T99 HydrophobicContact CG1-CG2 4.25Å; T99-D101 PolarHBondContact O-N 2.79Å; T99-K102 WeakPolarHBondContact CA-O 3.44Å; T99-K102 PolarHBondContact N-O 3.06Å; T99-K102 CarbonylContact O-C 3.52Å; T99-K102 PolarHBondContact O-N 3.23Å; T99-K102 VanDerWaalsContact O-O 3.06Å; T99-K102 WeakPolarHBondContact OG1-CE 3.15Å; T99-K102 WeakPolarHBondContact OG1-CG 3.37Å; T99-K102 PolarHBondContact OG1-O 3.41Å
100N87.8Confident87.9Confident112 Ų11257.3 Ų57.360%0.59930%0.298SS*.THydrogen-bonded Turntrans-44.3-35-176.4-65.9-30.4000115.1E75 I77E75-N100 PolarHBondContact O-N 2.88Å; E75-N100 VanDerWaalsContact O-N 3.07Å; I77-N100 WeakPolarHBondContact CG1-OD1 3.18Å
101D85.9Confident88.7Confident136 Ų13655.7 Ų55.773%0.72729%0.289SS*.THydrogen-bonded Turntrans-94.1-19.7-178.7-60.4-30.9000114.9T99T99-D101 PolarHBondContact O-N 2.79Å
102K87Confident89.3Confident85 Ų8551.6 Ų51.637%0.3727%0.269SS..EExtended strand (participates in β ladder)trans-177.1144.1-156.859.5-156.5164.1175.70112.9T99 H104T99-K102 WeakPolarHBondContact CA-O 3.44Å; T99-K102 PolarHBondContact N-O 3.06Å; T99-K102 CarbonylContact O-C 3.52Å; T99-K102 PolarHBondContact O-N 3.23Å; T99-K102 VanDerWaalsContact O-O 3.06Å; T99-K102 WeakPolarHBondContact OG1-CE 3.15Å; T99-K102 WeakPolarHBondContact OG1-CG 3.37Å; T99-K102 PolarHBondContact OG1-O 3.41Å; K102-H104 WeakPolarHBondContact CD-NE2 3.49Å; K102-H104 WeakPolarHBondContact CE-NE2 3.46Å
103T89.4Confident89.5Confident77 Ų7750.6 Ų50.647%0.47226%0.264SS..EExtended strand (participates in β ladder)trans-86.7134.9161.8-32.80000110.5C96 E98C96-T103 HydrophobicContact CB-CG2 4.02Å; E98-T103 HydrophobicContact CB-CG2 4.35Å
104H88.6Confident89.7Confident30 Ų3055.2 Ų55.214%0.13928%0.279CS..EExtended strand (participates in β ladder)trans-107.1125.7169-72.1-77.3000109.7I71 C96 V97 K102 F106I71-H104 VanDerWaalsContact CD1-CD2 3.45Å; I71-H104 WeakPolarHBondContact CD1-CD2 3.19Å; C96-H104 CarbonylContact C-O 3.59Å; C96-H104 WeakPolarHBondContact CA-O 3.47Å; V97-H104 PolarHBondContact N-O 2.83Å; V97-H104 PolarHBondContact O-N 2.82Å; K102-H104 WeakPolarHBondContact CD-NE2 3.49Å; K102-H104 WeakPolarHBondContact CE-NE2 3.46Å; H104-F106 HydrophobicContact CB-CD2 4.44Å; H104-F106 HydrophobicContact CB-CE1 4.42Å; H104-F106 HydrophobicContact CB-CE2 3.69Å; H104-F106 HydrophobicContact CB-CZ 3.68Å
105V91Very high89.8Confident12 Ų1258.7 Ų58.77%0.07330%0.297CS..EExtended strand (participates in β ladder)trans-99.9122.2171.1-162.20000109.3V12 Q13 W21 A82 E85 A94 F95V12-V105 WeakPolarHBondContact CA-O 3.39Å; Q13-V105 HydrophobicContact CB-CB 3.92Å; Q13-V105 PolarHBondContact N-O 2.82Å; W21-V105 HydrophobicContact CH2-CB 4.4Å; W21-V105 HydrophobicContact CH2-CG1 3.74Å; W21-V105 HydrophobicContact CZ3-CG1 4.34Å; A82-V105 HydrophobicContact CB-CG1 4.19Å; E85-V105 HydrophobicContact CB-CG1 4.49Å; E85-V105 HydrophobicContact CG-CG1 4.24Å; A94-V105 HydrophobicContact CB-CG1 4.35Å; F95-V105 WeakPolarHBondContact O-CA 3.5Å
106F91.8Very high89.9Confident0 Ų059 Ų590%030%0.298CS..EExtended strand (participates in β ladder)trans-110161174.6-59.5-64.5000110.8Y11 V12 F26 L39 I71 A94 F95 V97 H104Y11-F106 CarbonylContact O-C 3.49Å; Y11-F106 WeakPolarHBondContact O-CA 3.47Å; V12-F106 HydrophobicContact CB-CD1 3.85Å; V12-F106 HydrophobicContact CB-CE1 3.92Å; V12-F106 HydrophobicContact CG2-CD1 3.87Å; V12-F106 HydrophobicContact CG2-CE1 3.62Å; F26-F106 HydrophobicContact CE1-CD1 4.02Å; F26-F106 AromaticContact CE1-CE1 3.39Å; F26-F106 HydrophobicContact CE1-CE1 3.39Å; F26-F106 AromaticContact CE1-CZ 3.99Å; F26-F106 HydrophobicContact CE1-CZ 3.99Å; F26-F106 AromaticContact CZ-CD1 3.89Å; F26-F106 HydrophobicContact CZ-CD1 3.89Å; F26-F106 AromaticContact CZ-CE1 3.55Å; F26-F106 HydrophobicContact CZ-CE1 3.55Å; L39-F106 HydrophobicContact CD2-CE2 4.28Å; L39-F106 HydrophobicContact CD2-CZ 4.15Å; I71-F106 HydrophobicContact CD1-CE2 4.49Å; I71-F106 HydrophobicContact CD1-CZ 3.86Å; A94-F106 CarbonylContact C-O 3.37Å; A94-F106 WeakPolarHBondContact CA-O 3.31Å; A94-F106 WeakPolarHBondContact CB-O 3.2Å; F95-F106 HydrophobicContact CD1-CB 4Å; F95-F106 HydrophobicContact CD2-CB 4.22Å; F95-F106 HydrophobicContact CD2-CD2 4.19Å; F95-F106 HydrophobicContact CE1-CB 3.62Å; F95-F106 HydrophobicContact CE2-CB 3.87Å; F95-F106 AromaticContact CE2-CD2 3.67Å; F95-F106 HydrophobicContact CE2-CD2 3.67Å; F95-F106 HydrophobicContact CE2-CG 4.17Å; F95-F106 HydrophobicContact CG-CB 4.29Å; F95-F106 HydrophobicContact CZ-CB 3.56Å; F95-F106 HydrophobicContact CZ-CD2 4.07Å; F95-F106 HydrophobicContact CZ-CG 4.12Å; F95-F106 PolarHBondContact N-O 2.96Å; F95-F106 PolarHBondContact O-N 2.8Å; V97-F106 HydrophobicContact CB-CD2 4.32Å; V97-F106 HydrophobicContact CB-CE2 3.91Å; V97-F106 HydrophobicContact CG2-CD2 3.76Å; V97-F106 HydrophobicContact CG2-CE2 3.69Å; H104-F106 HydrophobicContact CB-CD2 4.44Å; H104-F106 HydrophobicContact CB-CE1 4.42Å; H104-F106 HydrophobicContact CB-CE2 3.69Å; H104-F106 HydrophobicContact CB-CZ 3.68Å
107A91.2Very high89.9Confident0 Ų058.6 Ų58.60%029%0.293CS..EExtended strand (participates in β ladder)trans-148.5144170.700000111.9Y11 W21 P88 A93 A94Y11-A107 PolarHBondContact N-O 3.27Å; Y11-A107 PolarHBondContact O-N 2.79Å; W21-A107 HydrophobicContact CE3-CB 4.2Å; W21-A107 HydrophobicContact CH2-CB 3.81Å; W21-A107 HydrophobicContact CZ2-CB 4.48Å; W21-A107 HydrophobicContact CZ3-CB 3.65Å; P88-A107 HydrophobicContact CG-CB 3.97Å; A93-A107 WeakPolarHBondContact O-CA 3.44Å; A94-A107 HydrophobicContact CB-CB 4.18Å
108A91.5Very high89.9Confident3 Ų362 Ų623%0.02531%0.312CS..EExtended strand (participates in β ladder)trans-151178.1174.800000110L10 M92 A93 T112 A113L10-A108 HydrophobicContact CD2-CB 3.75Å; M92-A108 CarbonylContact C-O 3.57Å; M92-A108 WeakPolarHBondContact CA-O 3.23Å; M92-A108 VanDerWaalsContact CB-O 3.28Å; M92-A108 WeakPolarHBondContact CB-O 3.33Å; A93-A108 PolarHBondContact N-O 3.26Å; A93-A108 PolarHBondContact O-N 3.22Å; A93-A108 VanDerWaalsContact O-N 3.15Å; A108-T112 HydrophobicContact CB-CG2 4.18Å; A108-A113 HydrophobicContact CB-CB 4.12Å
109E90.8Very high89.8Confident125 Ų12559.3 Ų59.358%0.58430%0.301SS*.EExtended strand (participates in β ladder)trans-58.6142.6172.9-63.9-178.5-173.900110.6M92 N111 T112 A113M92-E109 HydrophobicContact CE-CG 4.24Å; E109-N111 VanDerWaalsContact C-N 3.28Å; E109-N111 PolarHBondContact O-N 2.84Å; E109-T112 CarbonylContact O-C 3.6Å; E109-T112 WeakPolarHBondContact O-CA 3.41Å; E109-T112 WeakPolarHBondContact O-CB 3.19Å; E109-T112 PolarHBondContact O-N 2.8Å; E109-A113 PolarHBondContact O-N 3.07Å
110K86Confident89.9Confident152 Ų15259.1 Ų59.166%0.66130%0.299SS*.Hα-helixtrans-46.8-43.8-165.8-174.2176.4179.4178.40115.2N91 A93 K114N91-K110 PolarHBondContact O-N 3.21Å; N91-K110 VanDerWaalsContact O-N 3.14Å; A93-K110 HydrophobicContact CB-CG 4.47Å; K110-K114 PolarHBondContact O-N 2.82Å
111N88.2Confident89.9Confident135 Ų13555.5 Ų55.572%0.72228%0.283SS*.Hα-helixtrans-72.4-45.6179.6-63.6-1.3000111.4E109 A113 K114 D115E109-N111 VanDerWaalsContact C-N 3.28Å; E109-N111 PolarHBondContact O-N 2.84Å; N111-A113 VanDerWaalsContact C-N 3.34Å; N111-A113 PolarHBondContact O-N 2.8Å; N111-K114 PolarHBondContact O-N 2.73Å; N111-D115 WeakPolarHBondContact O-CB 3.36Å; N111-D115 PolarHBondContact O-N 2.86Å
112T90.8Very high90.1Very high53 Ų5352.4 Ų52.433%0.32527%0.266SS..Hα-helixtrans-61.6-39.6175.8-49.90000111.8A108 E109 D115 W116A108-T112 HydrophobicContact CB-CG2 4.18Å; E109-T112 CarbonylContact O-C 3.6Å; E109-T112 WeakPolarHBondContact O-CA 3.41Å; E109-T112 WeakPolarHBondContact O-CB 3.19Å; E109-T112 PolarHBondContact O-N 2.8Å; T112-D115 PolarHBondContact O-N 2.97Å; T112-W116 WeakPolarHBondContact O-CB 3.28Å; T112-W116 VanDerWaalsContact O-CD1 3.23Å; T112-W116 PolarHBondContact O-N 2.69Å
113A89.9Confident90.2Very high0 Ų050.2 Ų50.20%026%0.258CS..Hα-helixtrans-63.9-39.9176.700000111.8A93 F95 A108 E109 N111 M117A93-A113 HydrophobicContact CB-CB 3.95Å; F95-A113 HydrophobicContact CD1-CB 4.29Å; A108-A113 HydrophobicContact CB-CB 4.12Å; E109-A113 PolarHBondContact O-N 3.07Å; N111-A113 VanDerWaalsContact C-N 3.34Å; N111-A113 PolarHBondContact O-N 2.8Å; A113-M117 WeakPolarHBondContact O-CB 3.45Å; A113-M117 WeakPolarHBondContact O-CE 3.41Å; A113-M117 WeakPolarHBondContact O-CG 3.38Å; A113-M117 PolarHBondContact O-N 2.99Å
114K90.1Very high90Very high126 Ų12647.6 Ų47.655%0.54824%0.244SC..Hα-helixtrans-64.1-52.6171179175.1170.6176.80111.1K110 N111 W116 M117 D118K110-K114 PolarHBondContact O-N 2.82Å; N111-K114 PolarHBondContact O-N 2.73Å; K114-W116 VanDerWaalsContact C-N 3.26Å; K114-W116 PolarHBondContact O-N 2.85Å; K114-M117 CarbonylContact O-C 3.44Å; K114-M117 WeakPolarHBondContact O-CA 3.13Å; K114-M117 WeakPolarHBondContact O-CB 3.35Å; K114-M117 PolarHBondContact O-N 2.84Å; K114-D118 WeakPolarHBondContact CE-OD2 3.34Å; K114-D118 WeakPolarHBondContact CG-OD2 3.34Å; K114-D118 IonicContact NZ-OD2 3.68Å; K114-D118 VanDerWaalsContact O-CG 3.32Å; K114-D118 PolarHBondContact O-N 3.15Å
115D91.9Very high89.8Confident76 Ų7650.4 Ų50.441%0.40626%0.256SS..Hα-helixtrans-56.1-36.8179.5168.255000113K6 N111 T112 T119K6-D115 WeakPolarHBondContact CE-OD2 3.35Å; K6-D115 IonicContact NZ-OD1 2.73Å; K6-D115 PolarHBondContact NZ-OD1 3.07Å; K6-D115 IonicContact NZ-OD2 3.57Å; K6-D115 PolarHBondContact NZ-OD2 2.84Å; N111-D115 WeakPolarHBondContact O-CB 3.36Å; N111-D115 PolarHBondContact O-N 2.86Å; T112-D115 PolarHBondContact O-N 2.97Å; D115-T119 WeakPolarHBondContact O-CB 3.43Å; D115-T119 PolarHBondContact O-N 3.19Å; D115-T119 VanDerWaalsContact O-N 3.11Å; D115-T119 PolarHBondContact O-OG1 2.99Å
116W93.2Very high88.6Confident7 Ų753.5 Ų53.53%0.02727%0.27CS..Hα-helixtrans-73.5-35.1171-86.583.7000114.1K6 L10 F26 L28 L39 F95 T112 K114 M120K6-W116 HydrophobicContact CB-CH2 4.18Å; K6-W116 HydrophobicContact CB-CZ2 4.36Å; K6-W116 HydrophobicContact CB-CZ3 4.47Å; K6-W116 HydrophobicContact CD-CD2 3.75Å; K6-W116 HydrophobicContact CD-CE3 4.07Å; K6-W116 HydrophobicContact CD-CG 4.1Å; K6-W116 HydrophobicContact CD-CH2 4.42Å; K6-W116 HydrophobicContact CD-CZ2 4.11Å; K6-W116 HydrophobicContact CD-CZ3 4.39Å; K6-W116 HydrophobicContact CG-CH2 4.41Å; K6-W116 HydrophobicContact CG-CZ2 4.11Å; L10-W116 HydrophobicContact CD1-CD2 4.01Å; L10-W116 HydrophobicContact CD1-CE3 3.93Å; L10-W116 HydrophobicContact CD1-CZ3 4.29Å; L10-W116 HydrophobicContact CD2-CD2 4.01Å; L10-W116 HydrophobicContact CD2-CG 3.94Å; L10-W116 HydrophobicContact CG-CD2 4.39Å; F26-W116 HydrophobicContact CB-CH2 3.8Å; F26-W116 HydrophobicContact CB-CZ2 4.49Å; F26-W116 HydrophobicContact CB-CZ3 4.19Å; L28-W116 HydrophobicContact CB-CH2 4.39Å; L28-W116 HydrophobicContact CB-CZ3 4Å; L28-W116 HydrophobicContact CD2-CE3 4.47Å; L28-W116 HydrophobicContact CD2-CZ3 4.27Å; L39-W116 HydrophobicContact CD1-CH2 4.5Å; L39-W116 HydrophobicContact CD1-CZ3 3.68Å; F95-W116 HydrophobicContact CE1-CB 4.44Å; F95-W116 HydrophobicContact CZ-CB 4.08Å; T112-W116 WeakPolarHBondContact O-CB 3.28Å; T112-W116 VanDerWaalsContact O-CD1 3.23Å; T112-W116 PolarHBondContact O-N 2.69Å; K114-W116 VanDerWaalsContact C-N 3.26Å; K114-W116 PolarHBondContact O-N 2.85Å; W116-M120 HydrophobicContact CE3-CE 4.19Å; W116-M120 WeakPolarHBondContact O-CB 3.28Å; W116-M120 PolarHBondContact O-N 2.88Å
117M90.8Very high86.5Confident20 Ų2057.8 Ų57.810%0.09931%0.314CS..Hα-helixtrans-64.2-54.9171.4-83.9-176.5-82.800110.5I79 P81 F95 A113 K114 T119 M120 C121I79-M117 HydrophobicContact CG2-CB 4.45Å; I79-M117 HydrophobicContact CG2-CG 4.09Å; P81-M117 HydrophobicContact CB-SD 4.39Å; P81-M117 HydrophobicContact CG-CE 4.32Å; P81-M117 HydrophobicContact CG-SD 3.9Å; F95-M117 HydrophobicContact CB-CE 3.83Å; F95-M117 HydrophobicContact CB-CG 3.65Å; F95-M117 HydrophobicContact CB-SD 3.35Å; F95-M117 WeakPolarHBondContact CB-SD 3.28Å; F95-M117 HydrophobicContact CD1-CG 4.21Å; F95-M117 HydrophobicContact CD2-CG 3.63Å; F95-M117 HydrophobicContact CD2-SD 4.48Å; F95-M117 HydrophobicContact CE2-CG 4.25Å; F95-M117 HydrophobicContact CG-CE 4.37Å; F95-M117 HydrophobicContact CG-CG 3.6Å; F95-M117 HydrophobicContact CG-SD 4.02Å; A113-M117 WeakPolarHBondContact O-CB 3.45Å; A113-M117 WeakPolarHBondContact O-CE 3.41Å; A113-M117 WeakPolarHBondContact O-CG 3.38Å; A113-M117 PolarHBondContact O-N 2.99Å; K114-M117 CarbonylContact O-C 3.44Å; K114-M117 WeakPolarHBondContact O-CA 3.13Å; K114-M117 WeakPolarHBondContact O-CB 3.35Å; K114-M117 PolarHBondContact O-N 2.84Å; M117-T119 PolarHBondContact O-N 3.38Å; M117-M120 PolarHBondContact O-N 3.01Å; M117-C121 WeakPolarHBondContact O-CB 3.42Å; M117-C121 PolarHBondContact O-N 2.9Å; M117-C121 PolarHBondContact O-SG 2.92Å
118D90.4Very high84.2Confident72 Ų7260.6 Ų60.639%0.38534%0.343SS..Hα-helixtrans-53.7-55.5-179.3-62.9-7.2000110K114 M120 C121 D122K114-D118 WeakPolarHBondContact CE-OD2 3.34Å; K114-D118 WeakPolarHBondContact CG-OD2 3.34Å; K114-D118 IonicContact NZ-OD2 3.68Å; K114-D118 VanDerWaalsContact O-CG 3.32Å; K114-D118 PolarHBondContact O-N 3.15Å; D118-M120 PolarHBondContact O-N 3.45Å; D118-M120 VanDerWaalsContact O-N 3.13Å; D118-C121 PolarHBondContact O-N 2.85Å; D118-D122 WeakPolarHBondContact O-CB 3.4Å; D118-D122 PolarHBondContact O-N 3Å
119T90.8Very high82.2Confident20 Ų2065 Ų6512%0.12337%0.37CS..Hα-helixtrans-60.1-29.1179.2-43.50000113.5V5 K6 L28 D115 M117 I123V5-T119 HydrophobicContact CG1-CG2 3.78Å; K6-T119 HydrophobicContact CD-CG2 4.14Å; K6-T119 WeakPolarHBondContact CE-OG1 3.43Å; K6-T119 PolarHBondContact NZ-OG1 3.03Å; L28-T119 HydrophobicContact CD2-CG2 3.74Å; D115-T119 WeakPolarHBondContact O-CB 3.43Å; D115-T119 PolarHBondContact O-N 3.19Å; D115-T119 VanDerWaalsContact O-N 3.11Å; D115-T119 PolarHBondContact O-OG1 2.99Å; M117-T119 PolarHBondContact O-N 3.38Å; T119-I123 HydrophobicContact CG2-CD1 4.24Å; T119-I123 WeakPolarHBondContact O-CG1 3.36Å; T119-I123 PolarHBondContact O-N 3.47Å
120M90.3Very high79.8Confident0 Ų062.6 Ų62.60%038%0.378CS..Hα-helixtrans-88.5-36-178.3-162.1-174.2-47.600112.5L39 L73 I79 F95 V97 W116 M117 D118 A124L39-M120 HydrophobicContact CD1-CE 4.33Å; L39-M120 HydrophobicContact CD2-CE 3.69Å; L39-M120 HydrophobicContact CD2-SD 4.1Å; L73-M120 HydrophobicContact CD2-CG 3.67Å; L73-M120 HydrophobicContact CD2-SD 4.06Å; I79-M120 HydrophobicContact CD1-CB 3.99Å; I79-M120 HydrophobicContact CD1-CG 3.67Å; I79-M120 HydrophobicContact CD1-SD 3.99Å; F95-M120 HydrophobicContact CE2-CE 4.08Å; F95-M120 HydrophobicContact CZ-CE 4.49Å; V97-M120 HydrophobicContact CG1-SD 4.31Å; V97-M120 HydrophobicContact CG2-CE 4.42Å; V97-M120 HydrophobicContact CG2-SD 3.69Å; W116-M120 HydrophobicContact CE3-CE 4.19Å; W116-M120 WeakPolarHBondContact O-CB 3.28Å; W116-M120 PolarHBondContact O-N 2.88Å; M117-M120 PolarHBondContact O-N 3.01Å; D118-M120 PolarHBondContact O-N 3.45Å; D118-M120 VanDerWaalsContact O-N 3.13Å; M120-A124 WeakPolarHBondContact O-CB 3.29Å; M120-A124 PolarHBondContact O-N 2.94Å
121C89.3Confident77.4Confident37 Ų3760.2 Ų60.225%0.2538%0.38CS..Hα-helixtrans-56.6-45165.1-72.10000109.9M117 D118 A124 F125M117-C121 WeakPolarHBondContact O-CB 3.42Å; M117-C121 PolarHBondContact O-N 2.9Å; M117-C121 PolarHBondContact O-SG 2.92Å; D118-C121 PolarHBondContact O-N 2.85Å; C121-A124 PolarHBondContact O-N 2.88Å; C121-F125 HydrophobicContact CB-CD2 4.16Å; C121-F125 WeakPolarHBondContact O-CB 3.1Å; C121-F125 VanDerWaalsContact O-CD2 3.32Å; C121-F125 WeakPolarHBondContact O-CD2 3.15Å; C121-F125 PolarHBondContact O-N 3.03Å
122D88.8Confident74.9Confident70 Ų7058.1 Ų58.137%0.37438%0.377SS..Hα-helixtrans-57.1-58.9178.5-73.2-19000110.6D118 A124 F125 Q126D118-D122 WeakPolarHBondContact O-CB 3.4Å; D118-D122 PolarHBondContact O-N 3Å; D122-A124 VanDerWaalsContact C-N 3.32Å; D122-A124 PolarHBondContact O-N 3.37Å; D122-F125 PolarHBondContact O-N 3.17Å; D122-Q126 HydrophobicContact CB-CG 4.26Å; D122-Q126 VanDerWaalsContact CB-NE2 3.3Å; D122-Q126 WeakPolarHBondContact O-CB 3.43Å; D122-Q126 WeakPolarHBondContact O-CG 3.45Å; D122-Q126 PolarHBondContact O-N 2.95Å; D122-Q126 PolarHBondContact OD1-NE2 2.79Å
123I89.3Confident72.4Confident39 Ų3963.1 Ų63.120%0.240%0.4CS..Hα-helixtrans-69.3-27-176.9-62.5171.1000112.9V5 L28 P30 A37 L73 T119V5-I123 HydrophobicContact CB-CD1 4.16Å; V5-I123 HydrophobicContact CG1-CD1 4.16Å; V5-I123 HydrophobicContact CG2-CD1 4.47Å; L28-I123 HydrophobicContact CD1-CD1 4.19Å; L28-I123 HydrophobicContact CD2-CD1 4.05Å; L28-I123 HydrophobicContact CG-CD1 3.88Å; P30-I123 HydrophobicContact CB-CD1 4.23Å; P30-I123 HydrophobicContact CB-CG2 4.37Å; A37-I123 HydrophobicContact CB-CG2 3.84Å; L73-I123 HydrophobicContact CD1-CB 3.95Å; L73-I123 HydrophobicContact CD1-CG2 3.41Å; L73-I123 VanDerWaalsContact CD1-CG2 3.41Å; T119-I123 HydrophobicContact CG2-CD1 4.24Å; T119-I123 WeakPolarHBondContact O-CG1 3.36Å; T119-I123 PolarHBondContact O-N 3.47Å
124A86.4Confident69.9Low22 Ų2269.4 Ų69.418%0.18244%0.439CS..Hα-helixtrans-81-34.6178.300000113.8L73 C76 I79 M120 C121 D122L73-A124 HydrophobicContact CB-CB 4.11Å; C76-A124 HydrophobicContact CB-CB 4.29Å; I79-A124 HydrophobicContact CD1-CB 4.12Å; M120-A124 WeakPolarHBondContact O-CB 3.29Å; M120-A124 PolarHBondContact O-N 2.94Å; C121-A124 PolarHBondContact O-N 2.88Å; D122-A124 VanDerWaalsContact C-N 3.32Å; D122-A124 PolarHBondContact O-N 3.37Å
125F84.3Confident67.1Low90 Ų9070.9 Ų70.940%0.39545%0.453SS..Hα-helixtrans-121.4-12.9-167.4-51-56.7000114.9C76 I79 C121 D122 G127 G128C76-F125 HydrophobicContact CB-CZ 4.41Å; I79-F125 HydrophobicContact CB-CE2 4.17Å; I79-F125 HydrophobicContact CD1-CE2 3.96Å; I79-F125 HydrophobicContact CD1-CZ 4.36Å; I79-F125 HydrophobicContact CG1-CE2 3.9Å; I79-F125 HydrophobicContact CG1-CZ 4.11Å; C121-F125 HydrophobicContact CB-CD2 4.16Å; C121-F125 WeakPolarHBondContact O-CB 3.1Å; C121-F125 VanDerWaalsContact O-CD2 3.32Å; C121-F125 WeakPolarHBondContact O-CD2 3.15Å; C121-F125 PolarHBondContact O-N 3.03Å; D122-F125 PolarHBondContact O-N 3.17Å; F125-G127 PolarHBondContact O-N 2.67Å; F125-G128 PolarHBondContact O-N 3.4Å
126Q64.9Low64.3Low76 Ų7673.9 Ų73.936%0.35548%0.478SS..G310 helixtrans-69.59.4176.4-69.6-178.62.200114.9D122 G128 T129D122-Q126 HydrophobicContact CB-CG 4.26Å; D122-Q126 VanDerWaalsContact CB-NE2 3.3Å; D122-Q126 WeakPolarHBondContact O-CB 3.43Å; D122-Q126 WeakPolarHBondContact O-CG 3.45Å; D122-Q126 PolarHBondContact O-N 2.95Å; D122-Q126 PolarHBondContact OD1-NE2 2.79Å; Q126-G128 PolarHBondContact O-N 2.86Å; Q126-T129 WeakPolarHBondContact CB-O 3.45Å; Q126-T129 WeakPolarHBondContact CG-O 3.38Å; Q126-T129 PolarHBondContact O-N 3.5Å; Q126-T129 VanDerWaalsContact O-N 3.08Å
127G48Very low61.5Low91 Ų9181 Ų8194%0.93852%0.517SS*.G310 helixtrans-54-9.8158.200000114.2F125F125-G127 PolarHBondContact O-N 2.67Å
128G43.4Very low58.9Low58 Ų5884.2 Ų84.260%0.59856%0.555SS**G310 helixtrans-131.114.9166.400000116.4F125 Q126F125-G128 PolarHBondContact O-N 3.4Å; Q126-G128 PolarHBondContact O-N 2.86Å
129T49.8Very low56.2Low97 Ų9783.3 Ų83.360%0.59556%0.563SS**  trans-155.276.8-178.2-45.20000114.3Q126 S131Q126-T129 WeakPolarHBondContact CB-O 3.45Å; Q126-T129 WeakPolarHBondContact CG-O 3.38Å; Q126-T129 PolarHBondContact O-N 3.5Å; Q126-T129 VanDerWaalsContact O-N 3.08Å; T129-S131 PolarHBondContact O-N 2.59Å
130G38.4Very low53.7Low73 Ų7388.9 Ų88.975%0.75360%0.599SS**  trans-74.3110.3167.900000112.2
131S37.5Very low51.3Low102 Ų10297.8 Ų97.871%0.71364%0.641SS**  trans-67.9155166.7-116.90000111.1T129T129-S131 PolarHBondContact O-N 2.59Å
132S34.2Very low48.9Very low92 Ų92103.2 Ų103.264%0.64367%0.667SS**  cis-161.2161.12.7-163.10000111.2
133L39.5Very low46.6Very low157 Ų157106.7 Ų106.782%0.82269%0.685SS**  trans2987.4166-86.580.1000118.4
134T37.6Very low44.3Very low132 Ų132112.9 Ų112.981%0.8171%0.713SS**  -169.9112.6108.520.80000109.8
135D30.6Very low42.1Very low157 Ų157120 Ų12084%0.8475%0.745SS**  trans165.195139.6-89.6-11.5000109.9N137D135-N137 VanDerWaalsContact C-N 3.29Å; D135-N137 PolarHBondContact O-N 3.33Å
136C33.6Very low40.4Very low139 Ų139120.9 Ų120.994%0.93976%0.762SS**  trans-81.372.8177-64.40000110.7
137N32.8Very low39.6Very low157 Ų157123.8 Ų123.884%0.8478%0.776SS**  trans-142.9128.4166.4-122.3-25.7000111.7D135 G139D135-N137 VanDerWaalsContact C-N 3.29Å; D135-N137 PolarHBondContact O-N 3.33Å; N137-G139 PolarHBondContact O-N 2.94Å
138G38.1Very low39.4Very low87 Ų87125.5 Ų125.590%0.89776%0.763SS**  trans-77.4111.6-165.900000113.9
139G33.6Very low40.1Very low53 Ų53125.7 Ų125.755%0.54675%0.75SS.*  trans-152.3138.7162.300000109.9N137 Q141N137-G139 PolarHBondContact O-N 2.94Å; G139-Q141 PolarHBondContact O-N 2.94Å
140P37.2Very low40.5Very low137 Ų137127 Ų12789%0.8975%0.752SS**  trans-66.8108.9172.428.1-32.1000108.4D142P140-D142 PolarHBondContact O-N 3.37Å
141Q40.6Very low41Very low188 Ų188133.4 Ų133.488%0.87976%0.755SS**  trans-66.3114.4167.5-74.8179.4-13.200107.5G139 L143G139-Q141 PolarHBondContact O-N 2.94Å; Q141-L143 PolarHBondContact O-N 2.9Å
142D38Very low41.2Very low151 Ų151135.9 Ų135.981%0.80775%0.75SS**  trans-57.5135.4176.3-171.521.1000109.4P140 Q144P140-D142 PolarHBondContact O-N 3.37Å; D142-Q144 PolarHBondContact O-N 3.25Å
143L40.6Very low41.9Very low143 Ų143134 Ų13475%0.74974%0.737SS**  trans-76.678.9-174.7-73.9172.1000108.9Q141 M145Q141-L143 PolarHBondContact O-N 2.9Å; L143-M145 PolarHBondContact O-N 3.21Å
144Q42Very low42.5Very low169 Ų169136.5 Ų136.579%0.7974%0.735SS**  trans-57.997.9-178.7-173.6176.2-2.800109.8D142 S146D142-Q144 PolarHBondContact O-N 3.25Å; Q144-S146 PolarHBondContact O-N 3.47Å
145M39.9Very low43.2Very low172 Ų172135 Ų13585%0.84772%0.722SS**  trans-59.5129.6-178.8-60.8-176.9-173.400109L143 E147L143-M145 PolarHBondContact O-N 3.21Å; M145-E147 PolarHBondContact O-N 2.78Å
146S47.1Very low44.6Very low108 Ų108132.2 Ų132.276%0.75570%0.704SS**  trans-65104.7176.142.30000109.8Q144 N148Q144-S146 PolarHBondContact O-N 3.47Å; S146-N148 PolarHBondContact O-N 3.35Å
147E48.7Very low46.1Very low137 Ų137128.1 Ų128.164%0.6468%0.675SS**  trans-59.7129.7-177.248.4-171.2128.700111M145 L149M145-E147 PolarHBondContact O-N 2.78Å; E147-L149 HydrophobicContact CG-CD1 4.31Å; E147-L149 HydrophobicContact CG-CD2 4.21Å; E147-L149 HydrophobicContact CG-CG 4.07Å; E147-L149 PolarHBondContact O-N 2.83Å
148N43.8Very low48.6Very low127 Ų127122.2 Ų122.268%0.67964%0.644SS**  trans-80.570.8-170.6-104.5-96.4000111.1S146 I150S146-N148 PolarHBondContact O-N 3.35Å; N148-I150 PolarHBondContact O-N 3.14Å
149L57.8Low51.2Low61 Ų61119.3 Ų119.332%0.31961%0.607SS.*G310 helixtrans-67.312.6-177.3-60.9175.5000114.8E147 Y151 Y152 V157E147-L149 HydrophobicContact CG-CD1 4.31Å; E147-L149 HydrophobicContact CG-CD2 4.21Å; E147-L149 HydrophobicContact CG-CG 4.07Å; E147-L149 PolarHBondContact O-N 2.83Å; L149-Y151 PolarHBondContact O-N 3.03Å; L149-Y152 HydrophobicContact CD2-CD2 3.63Å; L149-Y152 HydrophobicContact CD2-CE2 4.07Å; L149-Y152 PolarHBondContact O-N 2.94Å; L149-V157 HydrophobicContact CD1-CG1 3.88Å; L149-V157 HydrophobicContact CD1-CG2 4.26Å
150I58.3Low54Low124 Ų124117.1 Ų117.164%0.63658%0.582SS**G310 helixtrans-61.8-10.9-177.163.8171.7000114.7N148N148-I150 PolarHBondContact O-N 3.14Å
151Y49.8Very low56.7Low209 Ų209116.2 Ų116.282%0.8256%0.561SS**G310 helixtrans-107.1-11.2176.2-65.8-69.7000114.5L149L149-Y151 PolarHBondContact O-N 3.03Å
152Y41.8Very low59.3Low153 Ų153107.3 Ų107.360%0.652%0.52SS*.SBendtrans-84.7137.5169.6-73.4-78.8000109.1L149 V157L149-Y152 HydrophobicContact CD2-CD2 3.63Å; L149-Y152 HydrophobicContact CD2-CE2 4.07Å; L149-Y152 PolarHBondContact O-N 2.94Å; Y152-V157 HydrophobicContact CG-CG2 4.36Å
153S49.1Very low62.1Low54 Ų54102.2 Ų102.238%0.37849%0.494SS..  trans-66.8145.216676.50000109D155 E156S153-D155 PolarHBondContact O-N 3.32Å; S153-E156 VanDerWaalsContact CB-OE2 3.28Å; S153-E156 WeakPolarHBondContact CB-OE2 3.48Å; S153-E156 PolarHBondContact N-OE2 3.24Å; S153-E156 PolarHBondContact O-N 3.41Å; S153-E156 VanDerWaalsContact OG-CG 3.29Å; S153-E156 WeakPolarHBondContact OG-CG 3.42Å; S153-E156 PolarHBondContact OG-OE2 3.13Å
154R50.6Low64.7Low208 Ų20896 Ų9679%0.78546%0.462SS*.THydrogen-bonded Turntrans-55.8-20179.6-171.4178.6-179.5-169.30.2112.9
155D53Low67.3Low100 Ų10093 Ų9354%0.53545%0.448SS..THydrogen-bonded Turntrans-85.4-17178.7-84.1-70.3000115.1S153 K182S153-D155 PolarHBondContact O-N 3.32Å; D155-K182 PolarHBondContact O-NZ 3.04Å; D155-K182 IonicContact OD1-NZ 3.66Å; D155-K182 PolarHBondContact OD1-NZ 3.11Å
156E59.3Low69.9Low99 Ų9994.1 Ų94.146%0.46344%0.442SS..THydrogen-bonded Turntrans-99.3-27.5-175.3-73.7166.313400113.5S153 N158 E159S153-E156 VanDerWaalsContact CB-OE2 3.28Å; S153-E156 WeakPolarHBondContact CB-OE2 3.48Å; S153-E156 PolarHBondContact N-OE2 3.24Å; S153-E156 PolarHBondContact O-N 3.41Å; S153-E156 VanDerWaalsContact OG-CG 3.29Å; S153-E156 WeakPolarHBondContact OG-CG 3.42Å; S153-E156 PolarHBondContact OG-OE2 3.13Å; E156-N158 PolarHBondContact O-N 2.91Å; E156-E159 PolarHBondContact O-N 3.06Å
157V65.1Low72.2Confident54 Ų5489.5 Ų89.533%0.32741%0.41SS..THydrogen-bonded Turntrans-53.8-29.4-179.9178.30000112.6L149 Y152L149-V157 HydrophobicContact CD1-CG1 3.88Å; L149-V157 HydrophobicContact CD1-CG2 4.26Å; Y152-V157 HydrophobicContact CG-CG2 4.36Å
158N86.1Confident74.4Confident33 Ų3390.2 Ų90.218%0.17641%0.413CS..THydrogen-bonded Turntrans-104.614.6-176.4-59.219.8000113.5E156 F160 K182 A183 L245E156-N158 PolarHBondContact O-N 2.91Å; N158-F160 VanDerWaalsContact O-CD2 3.3Å; N158-F160 WeakPolarHBondContact O-CD2 3.44Å; N158-F160 WeakPolarHBondContact O-CE2 3.34Å; N158-K182 VanDerWaalsContact O-CA 3.3Å; N158-K182 WeakPolarHBondContact O-CA 2.89Å; N158-A183 HydrophobicContact CB-CB 4.5Å; N158-A183 WeakPolarHBondContact CB-O 3.39Å; N158-A183 PolarHBondContact ND2-O 3.31Å; N158-A183 PolarHBondContact O-N 2.85Å; N158-L245 HydrophobicContact CB-CD1 4.29Å
159E92.1Very high76.8Confident26 Ų2684.2 Ų84.212%0.12138%0.381CS..EExtended strand (participates in β ladder)trans-98.4105.3177.5-62.2-156.1149.500112.4E156 W180 K182 K191 K196E156-E159 PolarHBondContact O-N 3.06Å; E159-W180 HydrophobicContact CB-CE3 4.24Å; E159-K182 HydrophobicContact CG-CB 4.13Å; E159-K182 HydrophobicContact CG-CD 3.98Å; E159-K182 HydrophobicContact CG-CG 4.14Å; E159-K191 IonicContact OE1-NZ 2.84Å; E159-K191 PolarHBondContact OE1-NZ 2.83Å; E159-K196 WeakPolarHBondContact OE2-CE 3.19Å; E159-K196 IonicContact OE2-NZ 2.65Å; E159-K196 PolarHBondContact OE2-NZ 2.82Å
160F92.4Very high78.5Confident7 Ų781.4 Ų81.43%0.03137%0.367CS..EExtended strand (participates in β ladder)trans-98.5135.5-176.6-59.5-86.7000111.3N158 V162 W180 L181 A183 Q238 E241 I242 L245N158-F160 VanDerWaalsContact O-CD2 3.3Å; N158-F160 WeakPolarHBondContact O-CD2 3.44Å; N158-F160 WeakPolarHBondContact O-CE2 3.34Å; F160-V162 HydrophobicContact CB-CG1 4.01Å; F160-W180 CarbonylContact O-C 3.57Å; F160-W180 WeakPolarHBondContact O-CA 3.44Å; F160-L181 PolarHBondContact N-O 3.04Å; F160-L181 PolarHBondContact O-N 2.69Å; F160-A183 HydrophobicContact CE2-CB 4.39Å; F160-Q238 HydrophobicContact CD1-CB 3.68Å; F160-Q238 HydrophobicContact CD1-CG 4.29Å; F160-Q238 HydrophobicContact CE1-CB 4.03Å; F160-E241 HydrophobicContact CE1-CB 3.92Å; F160-E241 HydrophobicContact CZ-CB 4.2Å; F160-I242 HydrophobicContact CB-CD1 3.91Å; F160-I242 HydrophobicContact CB-CG1 4.11Å; F160-I242 HydrophobicContact CD1-CD1 4.09Å; F160-I242 HydrophobicContact CD1-CG1 3.64Å; F160-I242 HydrophobicContact CD2-CD1 4.29Å; F160-I242 HydrophobicContact CD2-CG1 3.55Å; F160-I242 HydrophobicContact CE1-CG1 3.91Å; F160-I242 HydrophobicContact CE2-CG1 3.82Å; F160-I242 HydrophobicContact CG-CD1 3.82Å; F160-I242 HydrophobicContact CG-CG1 3.46Å; F160-I242 VanDerWaalsContact CG-CG1 3.46Å; F160-I242 HydrophobicContact CZ-CG1 4Å; F160-L245 HydrophobicContact CE2-CD1 3.71Å; F160-L245 HydrophobicContact CZ-CD1 3.59Å
161W94.7Very high80.3Confident118 Ų11879.9 Ų79.945%0.44736%0.357SS..EExtended strand (participates in β ladder)trans-82.9123.4169.1-174.7-96.1000109.4W180 P193W161-W180 HydrophobicContact CB-CE3 4.28Å; W161-W180 HydrophobicContact CB-CH2 4.35Å; W161-W180 HydrophobicContact CB-CZ3 3.95Å; W161-W180 AromaticContact CE3-CD2 3.75Å; W161-W180 HydrophobicContact CE3-CD2 3.75Å; W161-W180 AromaticContact CE3-CE2 3.5Å; W161-W180 VanDerWaalsContact CE3-CE2 3.5Å; W161-W180 HydrophobicContact CE3-CE3 4.16Å; W161-W180 HydrophobicContact CE3-CG 4.22Å; W161-W180 HydrophobicContact CE3-CH2 4.1Å; W161-W180 AromaticContact CE3-CZ2 3.69Å; W161-W180 HydrophobicContact CE3-CZ2 3.69Å; W161-W180 HydrophobicContact CE3-CZ3 4.33Å; W161-W180 AromaticContact CE3-NE1 3.85Å; W161-W180 HydrophobicContact CZ3-CD2 4.29Å; W161-W180 AromaticContact CZ3-CE2 3.76Å; W161-W180 HydrophobicContact CZ3-CG 4.47Å; W161-W180 HydrophobicContact CZ3-CZ2 4.1Å; W161-W180 AromaticContact CZ3-NE1 3.62Å; W161-P193 HydrophobicContact CH2-CB 3.88Å; W161-P193 HydrophobicContact CH2-CG 4.19Å; W161-P193 HydrophobicContact CZ3-CB 4.03Å; W161-P193 HydrophobicContact CZ3-CG 4.37Å
162V95.4Very high82.4Confident1 Ų176.6 Ų76.61%0.00634%0.343CS..EExtended strand (participates in β ladder)trans-139.9151.7-173.2-510000111.2F160 S178 Y179 L181 F234 T236 I242F160-V162 HydrophobicContact CB-CG1 4.01Å; V162-S178 CarbonylContact O-C 3.56Å; V162-S178 VanDerWaalsContact O-CA 3.26Å; V162-S178 WeakPolarHBondContact O-CA 3.42Å; V162-Y179 PolarHBondContact N-O 2.65Å; V162-Y179 PolarHBondContact O-N 2.92Å; V162-Y179 VanDerWaalsContact O-O 3.13Å; V162-L181 HydrophobicContact CG1-CB 4.02Å; V162-L181 HydrophobicContact CG1-CD2 4.35Å; V162-L181 HydrophobicContact CG2-CB 3.78Å; V162-F234 HydrophobicContact CB-CB 3.95Å; V162-F234 HydrophobicContact CB-CD1 4.47Å; V162-F234 HydrophobicContact CG2-CB 4Å; V162-F234 HydrophobicContact CG2-CD1 3.59Å; V162-F234 HydrophobicContact CG2-CE1 4.44Å; V162-F234 HydrophobicContact CG2-CG 4.1Å; V162-T236 HydrophobicContact CG1-CG2 3.91Å; V162-I242 HydrophobicContact CG1-CD1 4.28Å
163T96.3Very high84.8Confident43 Ų4371 Ų7126%0.26433%0.326SS..EExtended strand (participates in β ladder)trans-108.3124174.3-64.70000110.5Q165 S178 F234 E235T163-Q165 PolarHBondContact O-N 2.79Å; T163-S178 PolarHBondContact OG1-OG 3.17Å; T163-F234 CarbonylContact O-C 3.45Å; T163-F234 VanDerWaalsContact O-CA 3.26Å; T163-F234 WeakPolarHBondContact O-CA 3.36Å; T163-E235 PolarHBondContact N-O 3.18Å; T163-E235 PolarHBondContact O-N 3.43Å
164V96.3Very high86.8Confident12 Ų1271.4 Ų71.47%0.07334%0.338CS..EExtended strand (participates in β ladder)trans-67.6118.3177.9168.90000109.5L175 G177 Y179 F234V164-L175 HydrophobicContact CG1-CB 3.95Å; V164-L175 HydrophobicContact CG2-CB 4.34Å; V164-G177 PolarHBondContact N-O 2.84Å; V164-Y179 HydrophobicContact CB-CD2 4.24Å; V164-Y179 HydrophobicContact CB-CE2 4.22Å; V164-Y179 HydrophobicContact CG2-CD2 3.47Å; V164-Y179 VanDerWaalsContact CG2-CD2 3.47Å; V164-Y179 HydrophobicContact CG2-CE2 3.75Å; V164-Y179 HydrophobicContact CG2-CG 4.46Å; V164-F234 HydrophobicContact CG2-CD1 3.7Å; V164-F234 HydrophobicContact CG2-CE1 3.62Å
165Q95.8Very high88.8Confident108 Ų10861.9 Ų61.951%0.50530%0.303SS..PPolyproline II helixtrans-74.5138.3166.8-178.718079.500108.8T163 T167 S170 T233T163-Q165 PolarHBondContact O-N 2.79Å; Q165-T167 PolarHBondContact O-N 3.28Å; Q165-S170 PolarHBondContact O-OG 2.77Å; Q165-T233 HydrophobicContact CB-CG2 4.08Å; Q165-T233 WeakPolarHBondContact CB-O 3.26Å; Q165-T233 PolarHBondContact N-O 3.1Å; Q165-T233 VanDerWaalsContact OE1-CG2 3.23Å
166R94.5Very high90.7Very high194 Ų19460.8 Ų60.873%0.73231%0.308SS*.PPolyproline II helixtrans-63.8116.8179.9-176.9174.7-179.8158.58.6111E171R166-E171 WeakPolarHBondContact CD-OE1 3.37Å; R166-E171 HydrophobicContact CG-CG 3.91Å; R166-E171 WeakPolarHBondContact CG-OE1 3.32Å; R166-E171 IonicContact CZ-OE1 3.65Å; R166-E171 IonicContact CZ-OE2 3.18Å; R166-E171 IonicContact NE-OE1 3.26Å; R166-E171 PolarHBondContact NE-OE1 2.96Å; R166-E171 IonicContact NE-OE2 2.95Å; R166-E171 PolarHBondContact NE-OE2 2.9Å; R166-E171 IonicContact NH2-OE1 2.79Å; R166-E171 IonicContact NH2-OE2 2.68Å; R166-E171 PolarHBondContact NH2-OE2 3.46Å
167T94.6Very high92.3Very high12 Ų1257.8 Ų57.87%0.07430%0.304CS..  trans-135.5160.417273.70000110.8Q165 A169 S170 E171 N231Q165-T167 PolarHBondContact O-N 3.28Å; T167-A169 PolarHBondContact O-N 2.97Å; T167-A169 PolarHBondContact OG1-N 3.24Å; T167-S170 PolarHBondContact N-OG 3.38Å; T167-S170 PolarHBondContact O-N 3.26Å; T167-S170 PolarHBondContact O-OG 2.94Å; T167-S170 PolarHBondContact OG1-N 3.28Å; T167-S170 VanDerWaalsContact OG1-N 3.09Å; T167-E171 WeakPolarHBondContact O-CG 3.1Å; T167-E171 PolarHBondContact O-N 2.93Å; T167-N231 WeakPolarHBondContact CB-O 3.3Å; T167-N231 PolarHBondContact OG1-O 3.26Å
168E94.7Very high93.7Very high152 Ų15257.2 Ų57.271%0.7130%0.302SS*.Hα-helixtrans-44-38.6168.6-70.7-72.5163.500113.2R172E168-R172 WeakPolarHBondContact O-CB 3.25Å; E168-R172 WeakPolarHBondContact O-CD 3.1Å; E168-R172 WeakPolarHBondContact O-CG 3.4Å; E168-R172 PolarHBondContact O-N 2.86Å
169A94.9Very high94.2Very high1 Ų156.9 Ų56.91%0.00830%0.299CS..Hα-helixtrans-78.4-37.6179.900000112.6T167 C173 N231 F232T167-A169 PolarHBondContact O-N 2.97Å; T167-A169 PolarHBondContact OG1-N 3.24Å; A169-C173 PolarHBondContact O-N 3.36Å; A169-C173 PolarHBondContact O-SG 3.32Å; A169-N231 WeakPolarHBondContact CB-O 3.17Å; A169-F232 HydrophobicContact CB-CD1 4.41Å; A169-F232 HydrophobicContact CB-CD2 4.23Å; A169-F232 HydrophobicContact CB-CE1 3.89Å; A169-F232 HydrophobicContact CB-CE2 3.68Å; A169-F232 HydrophobicContact CB-CZ 3.47Å; A169-F232 VanDerWaalsContact CB-CZ 3.47Å; A169-F232 WeakPolarHBondContact O-CE1 3.22Å
170S94.8Very high94.3Very high1 Ų158.5 Ų58.51%0.00730%0.304CS..Hα-helixtrans-69.4-42.7178.291.20000111.5Q165 T167 C173 G174 L175Q165-S170 PolarHBondContact O-OG 2.77Å; T167-S170 PolarHBondContact N-OG 3.38Å; T167-S170 PolarHBondContact O-N 3.26Å; T167-S170 PolarHBondContact O-OG 2.94Å; T167-S170 PolarHBondContact OG1-N 3.28Å; T167-S170 VanDerWaalsContact OG1-N 3.09Å; S170-C173 CarbonylContact O-C 3.52Å; S170-C173 PolarHBondContact O-N 2.84Å; S170-C173 VanDerWaalsContact O-N 3.11Å; S170-G174 PolarHBondContact O-N 3.03Å; S170-G174 VanDerWaalsContact O-N 3.12Å; S170-L175 PolarHBondContact O-N 2.68Å
171E94.3Very high94.4Very high92 Ų9258.2 Ų58.243%0.4330%0.302SS..Hα-helixtrans-64.3-47.1179.3-70.4-175.2-125.800111.9R166 T167 C173 G174R166-E171 WeakPolarHBondContact CD-OE1 3.37Å; R166-E171 HydrophobicContact CG-CG 3.91Å; R166-E171 WeakPolarHBondContact CG-OE1 3.32Å; R166-E171 IonicContact CZ-OE1 3.65Å; R166-E171 IonicContact CZ-OE2 3.18Å; R166-E171 IonicContact NE-OE1 3.26Å; R166-E171 PolarHBondContact NE-OE1 2.96Å; R166-E171 IonicContact NE-OE2 2.95Å; R166-E171 PolarHBondContact NE-OE2 2.9Å; R166-E171 IonicContact NH2-OE1 2.79Å; R166-E171 IonicContact NH2-OE2 2.68Å; R166-E171 PolarHBondContact NH2-OE2 3.46Å; T167-E171 WeakPolarHBondContact O-CG 3.1Å; T167-E171 PolarHBondContact O-N 2.93Å; E171-C173 PolarHBondContact O-N 2.95Å; E171-C173 VanDerWaalsContact O-N 3.13Å; E171-G174 PolarHBondContact O-N 2.66Å
172R94.1Very high94.4Very high140 Ų14053.2 Ų53.253%0.52828%0.283SS..Hα-helixtrans-55.7-27.6172.1-79.617452-94.2-20.3113.7E168 S227 P229E168-R172 WeakPolarHBondContact O-CB 3.25Å; E168-R172 WeakPolarHBondContact O-CD 3.1Å; E168-R172 WeakPolarHBondContact O-CG 3.4Å; E168-R172 PolarHBondContact O-N 2.86Å; R172-S227 PolarHBondContact NH1-O 2.92Å; R172-S227 PolarHBondContact NH2-O 3.47Å; R172-P229 PolarHBondContact NH1-O 3.34Å
173C91.9Very high94.4Very high36 Ų3653.2 Ų53.224%0.24328%0.284CS..THydrogen-bonded Turntrans-974.2179.2-61.30000113.3A169 S170 E171 L175 L200A169-C173 PolarHBondContact O-N 3.36Å; A169-C173 PolarHBondContact O-SG 3.32Å; S170-C173 CarbonylContact O-C 3.52Å; S170-C173 PolarHBondContact O-N 2.84Å; S170-C173 VanDerWaalsContact O-N 3.11Å; E171-C173 PolarHBondContact O-N 2.95Å; E171-C173 VanDerWaalsContact O-N 3.13Å; C173-L175 HydrophobicContact CB-CD1 4.05Å; C173-L175 HydrophobicContact CB-CG 3.79Å; C173-L175 PolarHBondContact O-N 2.54Å; C173-L200 HydrophobicContact CB-CD1 4.11Å
174G92.3Very high94.1Very high62 Ų6254.9 Ų54.964%0.63929%0.288SS*.THydrogen-bonded Turntrans65.921.7-177.900000114.7S170 E171S170-G174 PolarHBondContact O-N 3.03Å; S170-G174 VanDerWaalsContact O-N 3.12Å; E171-G174 PolarHBondContact O-N 2.66Å
175L92.6Very high93.8Very high8 Ų859.5 Ų59.54%0.04231%0.313CS..  trans-89.3120.1-176-54.7178.1000111.4V164 S170 C173 Y179 L190 I199 L200 F232V164-L175 HydrophobicContact CG1-CB 3.95Å; V164-L175 HydrophobicContact CG2-CB 4.34Å; S170-L175 PolarHBondContact O-N 2.68Å; C173-L175 HydrophobicContact CB-CD1 4.05Å; C173-L175 HydrophobicContact CB-CG 3.79Å; C173-L175 PolarHBondContact O-N 2.54Å; L175-Y179 WeakPolarHBondContact CA-OH 3.48Å; L175-Y179 HydrophobicContact CB-CE2 4.45Å; L175-Y179 HydrophobicContact CD2-CE1 4.46Å; L175-L190 HydrophobicContact CD1-CD2 3.87Å; L175-L190 HydrophobicContact CD2-CD2 3.74Å; L175-L190 HydrophobicContact CG-CD2 4.4Å; L175-I199 HydrophobicContact CD2-CG2 4.33Å; L175-L200 HydrophobicContact CD1-CD1 3.82Å; L175-L200 HydrophobicContact CD2-CD1 4.32Å; L175-L200 HydrophobicContact CG-CD1 4.43Å; L175-F232 HydrophobicContact CD1-CD1 4.12Å; L175-F232 HydrophobicContact CD1-CE1 3.87Å
176A92.4Very high93.6Very high78 Ų7858.8 Ų58.865%0.64531%0.31SS*.  trans-151.4136.3176.400000111.9Y179A176-Y179 PolarHBondContact N-OH 2.84Å; A176-Y179 WeakPolarHBondContact O-CE2 3.21Å; A176-Y179 PolarHBondContact O-OH 2.94Å
177G92.6Very high93.6Very high36 Ų3649.8 Ų49.837%0.37128%0.277SS..EExtended strand (participates in β ladder)trans87.1-158.5-178.800000113.6V164 Y179V164-G177 PolarHBondContact N-O 2.84Å; G177-Y179 VanDerWaalsContact O-CD2 3.29Å; G177-Y179 WeakPolarHBondContact O-CD2 3.34Å; G177-Y179 WeakPolarHBondContact O-CE2 3.32Å
178S95.4Very high93.7Very high41 Ų4149.2 Ų49.229%0.28727%0.273SS..EExtended strand (participates in β ladder)trans-85.9148.6-175.3-49.40000113.6V162 T163 P193V162-S178 CarbonylContact O-C 3.56Å; V162-S178 VanDerWaalsContact O-CA 3.26Å; V162-S178 WeakPolarHBondContact O-CA 3.42Å; T163-S178 PolarHBondContact OG1-OG 3.17Å; S178-P193 WeakPolarHBondContact O-CG 3.49Å
179Y95.6Very high93.7Very high27 Ų2742.4 Ų42.411%0.10624%0.241CC..EExtended strand (participates in β ladder)trans-147.1164.8-178.5-66.2-90.9000110.5V162 V164 L175 A176 G177 L190 I199V162-Y179 PolarHBondContact N-O 2.65Å; V162-Y179 PolarHBondContact O-N 2.92Å; V162-Y179 VanDerWaalsContact O-O 3.13Å; V164-Y179 HydrophobicContact CB-CD2 4.24Å; V164-Y179 HydrophobicContact CB-CE2 4.22Å; V164-Y179 HydrophobicContact CG2-CD2 3.47Å; V164-Y179 VanDerWaalsContact CG2-CD2 3.47Å; V164-Y179 HydrophobicContact CG2-CE2 3.75Å; V164-Y179 HydrophobicContact CG2-CG 4.46Å; L175-Y179 WeakPolarHBondContact CA-OH 3.48Å; L175-Y179 HydrophobicContact CB-CE2 4.45Å; L175-Y179 HydrophobicContact CD2-CE1 4.46Å; A176-Y179 PolarHBondContact N-OH 2.84Å; A176-Y179 WeakPolarHBondContact O-CE2 3.21Å; A176-Y179 PolarHBondContact O-OH 2.94Å; G177-Y179 VanDerWaalsContact O-CD2 3.29Å; G177-Y179 WeakPolarHBondContact O-CD2 3.34Å; G177-Y179 WeakPolarHBondContact O-CE2 3.32Å; Y179-L190 HydrophobicContact CD1-CD2 4.07Å; Y179-L190 HydrophobicContact CD1-CG 4.23Å; Y179-L190 HydrophobicContact CD2-CD2 4.44Å; Y179-L190 HydrophobicContact CG-CD1 4.23Å; Y179-L190 HydrophobicContact CG-CD2 4.02Å; Y179-L190 HydrophobicContact CG-CG 4.14Å; Y179-I199 HydrophobicContact CD1-CD1 3.63Å; Y179-I199 HydrophobicContact CE1-CD1 3.49Å; Y179-I199 VanDerWaalsContact CE1-CD1 3.49Å
180W94.8Very high93.7Very high60 Ų6042.3 Ų42.323%0.22724%0.241CC..EExtended strand (participates in β ladder)trans-90.7124.4166.7-73109.9000109.2E159 F160 W161 L190 K191E159-W180 HydrophobicContact CB-CE3 4.24Å; F160-W180 CarbonylContact O-C 3.57Å; F160-W180 WeakPolarHBondContact O-CA 3.44Å; W161-W180 HydrophobicContact CB-CE3 4.28Å; W161-W180 HydrophobicContact CB-CH2 4.35Å; W161-W180 HydrophobicContact CB-CZ3 3.95Å; W161-W180 AromaticContact CE3-CD2 3.75Å; W161-W180 HydrophobicContact CE3-CD2 3.75Å; W161-W180 AromaticContact CE3-CE2 3.5Å; W161-W180 VanDerWaalsContact CE3-CE2 3.5Å; W161-W180 HydrophobicContact CE3-CE3 4.16Å; W161-W180 HydrophobicContact CE3-CG 4.22Å; W161-W180 HydrophobicContact CE3-CH2 4.1Å; W161-W180 AromaticContact CE3-CZ2 3.69Å; W161-W180 HydrophobicContact CE3-CZ2 3.69Å; W161-W180 HydrophobicContact CE3-CZ3 4.33Å; W161-W180 AromaticContact CE3-NE1 3.85Å; W161-W180 HydrophobicContact CZ3-CD2 4.29Å; W161-W180 AromaticContact CZ3-CE2 3.76Å; W161-W180 HydrophobicContact CZ3-CG 4.47Å; W161-W180 HydrophobicContact CZ3-CZ2 4.1Å; W161-W180 AromaticContact CZ3-NE1 3.62Å; W180-L190 CarbonylContact O-C 3.6Å; W180-K191 HydrophobicContact CB-CB 3.86Å; W180-K191 PolarHBondContact N-O 2.75Å; W180-K191 PolarHBondContact O-N 3.05Å
181L95.5Very high93.7Very high0 Ų043.6 Ų43.60%025%0.246CC..EExtended strand (participates in β ladder)trans-105.5112172.1179.465.1000108.8F160 V162 L188 L190 W202 F217 I242F160-L181 PolarHBondContact N-O 3.04Å; F160-L181 PolarHBondContact O-N 2.69Å; V162-L181 HydrophobicContact CG1-CB 4.02Å; V162-L181 HydrophobicContact CG1-CD2 4.35Å; V162-L181 HydrophobicContact CG2-CB 3.78Å; L181-L188 HydrophobicContact CD1-CB 4.23Å; L181-L188 HydrophobicContact CD1-CD2 4.41Å; L181-L190 HydrophobicContact CB-CD1 4.44Å; L181-L190 HydrophobicContact CD1-CD1 4.3Å; L181-W202 HydrophobicContact CD1-CZ3 4.47Å; L181-F217 HydrophobicContact CD2-CD1 3.89Å; L181-F217 HydrophobicContact CD2-CE1 4.11Å; L181-I242 HydrophobicContact CD2-CD1 4.46Å; L181-I242 HydrophobicContact CD2-CG2 4.24Å
182K94.4Very high93.6Very high13 Ų1342.6 Ų42.66%0.05724%0.242CC..EExtended strand (participates in β ladder)trans-94125.4172.7-178.5164.9174.3157.50110.5D155 N158 E159 I189D155-K182 PolarHBondContact O-NZ 3.04Å; D155-K182 IonicContact OD1-NZ 3.66Å; D155-K182 PolarHBondContact OD1-NZ 3.11Å; N158-K182 VanDerWaalsContact O-CA 3.3Å; N158-K182 WeakPolarHBondContact O-CA 2.89Å; E159-K182 HydrophobicContact CG-CB 4.13Å; E159-K182 HydrophobicContact CG-CD 3.98Å; E159-K182 HydrophobicContact CG-CG 4.14Å; K182-I189 HydrophobicContact CB-CB 4.39Å; K182-I189 PolarHBondContact N-O 2.91Å; K182-I189 PolarHBondContact O-N 2.78Å
183A94.3Very high93.5Very high1 Ų138 Ų381%0.00823%0.23CC..EExtended strand (participates in β ladder)trans-92.4102.5169.800000109.7N158 F160 L188 L245 V246N158-A183 HydrophobicContact CB-CB 4.5Å; N158-A183 WeakPolarHBondContact CB-O 3.39Å; N158-A183 PolarHBondContact ND2-O 3.31Å; N158-A183 PolarHBondContact O-N 2.85Å; F160-A183 HydrophobicContact CE2-CB 4.39Å; A183-L188 HydrophobicContact CB-CD2 4.15Å; A183-L245 HydrophobicContact CB-CB 4.31Å; A183-L245 HydrophobicContact CB-CD1 4.4Å; A183-V246 HydrophobicContact CB-CG2 4.49Å
184E91.4Very high93.3Very high78 Ų7845.6 Ų45.636%0.36426%0.259SS..  trans-93.8175.6179.7-159.3165.1-106.800111.2E186 A187 I189 Y204E184-E186 VanDerWaalsContact C-N 3.27Å; E184-E186 PolarHBondContact O-N 3.08Å; E184-A187 WeakPolarHBondContact CB-O 3.33Å; E184-A187 PolarHBondContact N-O 2.8Å; E184-I189 HydrophobicContact CB-CD1 4.49Å; E184-Y204 WeakPolarHBondContact O-CE2 3.49Å; E184-Y204 VanDerWaalsContact O-CZ 3.27Å; E184-Y204 PolarHBondContact O-OH 2.92Å
185N89.4Confident93.1Very high109 Ų10945.5 Ų45.558%0.58325%0.246SC*.SBendtrans-66.5-27176.3-73.849.6000113.2Q253N185-Q253 PolarHBondContact O-NE2 2.85Å
186E90.8Very high92.8Very high94 Ų9449.1 Ų49.144%0.43926%0.261SS..SBendtrans-109.8-25-175.7-76.7-67.913400114.8E184 Y204 K205 Q253E184-E186 VanDerWaalsContact C-N 3.27Å; E184-E186 PolarHBondContact O-N 3.08Å; E186-Y204 WeakPolarHBondContact O-CD2 3.39Å; E186-Y204 PolarHBondContact O-N 2.96Å; E186-K205 IonicContact OE1-NZ 2.68Å; E186-K205 PolarHBondContact OE1-NZ 3.33Å; E186-K205 IonicContact OE2-NZ 3.9Å; E186-K205 PolarHBondContact OE2-NZ 2.8Å; E186-Q253 WeakPolarHBondContact OE1-CG 3.4Å; E186-Q253 PolarHBondContact OE1-NE2 2.78Å
187A94.9Very high92.7Very high5 Ų553.7 Ų53.74%0.04126%0.262CS..EExtended strand (participates in β ladder)trans-154.3159.7-170.600000113.6E184 V201 W202 Y204E184-A187 WeakPolarHBondContact CB-O 3.33Å; E184-A187 PolarHBondContact N-O 2.8Å; A187-V201 HydrophobicContact CB-CG1 3.64Å; A187-W202 WeakPolarHBondContact CA-O 2.86Å; A187-W202 WeakPolarHBondContact CB-O 3.43Å; A187-Y204 PolarHBondContact O-OH 3.45Å
188L95.8Very high92.7Very high0 Ų056.3 Ų56.30%027%0.267CS..EExtended strand (participates in β ladder)trans-80.5140.5153.9-66.9-178.8000109.8L181 A183 V201 W202 Y204 L207 F217 F219 V246L181-L188 HydrophobicContact CD1-CB 4.23Å; L181-L188 HydrophobicContact CD1-CD2 4.41Å; A183-L188 HydrophobicContact CB-CD2 4.15Å; L188-V201 CarbonylContact O-C 3.55Å; L188-V201 WeakPolarHBondContact O-CA 3.03Å; L188-W202 HydrophobicContact CB-CB 4.41Å; L188-W202 HydrophobicContact CB-CE3 3.9Å; L188-W202 PolarHBondContact N-O 2.89Å; L188-W202 PolarHBondContact O-N 3.46Å; L188-Y204 HydrophobicContact CD2-CE1 3.94Å; L188-Y204 HydrophobicContact CG-CE1 3.78Å; L188-L207 HydrophobicContact CD1-CD1 4.43Å; L188-F217 HydrophobicContact CD1-CE1 3.77Å; L188-F217 HydrophobicContact CD1-CZ 4.13Å; L188-F219 HydrophobicContact CD1-CD1 3.35Å; L188-F219 HydrophobicContact CD1-CE1 3.27Å; L188-F219 HydrophobicContact CD1-CG 4.16Å; L188-F219 HydrophobicContact CD1-CZ 4.05Å; L188-V246 HydrophobicContact CD2-CG2 3.62Å; L188-V246 HydrophobicContact CG-CG2 4.44Å
189I95.4Very high92.7Very high8 Ų857.9 Ų57.94%0.04127%0.272CS..EExtended strand (participates in β ladder)trans-128.2119.7176.6-56.4179.5000109K182 E184 K191 N198 L200 V201K182-I189 HydrophobicContact CB-CB 4.39Å; K182-I189 PolarHBondContact N-O 2.91Å; K182-I189 PolarHBondContact O-N 2.78Å; E184-I189 HydrophobicContact CB-CD1 4.49Å; I189-K191 HydrophobicContact CG2-CG 4.07Å; I189-N198 HydrophobicContact CG2-CB 3.83Å; I189-L200 WeakPolarHBondContact CA-O 3.4Å; I189-V201 HydrophobicContact CG1-CG1 4.29Å; I189-V201 HydrophobicContact CG1-CG2 4.27Å; I189-V201 HydrophobicContact CG2-CG2 4.38Å
190L95.5Very high92.6Very high0 Ų057.8 Ų57.80%027%0.273CS..EExtended strand (participates in β ladder)trans-85.6134.1168.2-158.668.9000109.8L175 Y179 W180 L181 N198 I199 L200 W202 F234L175-L190 HydrophobicContact CD1-CD2 3.87Å; L175-L190 HydrophobicContact CD2-CD2 3.74Å; L175-L190 HydrophobicContact CG-CD2 4.4Å; Y179-L190 HydrophobicContact CD1-CD2 4.07Å; Y179-L190 HydrophobicContact CD1-CG 4.23Å; Y179-L190 HydrophobicContact CD2-CD2 4.44Å; Y179-L190 HydrophobicContact CG-CD1 4.23Å; Y179-L190 HydrophobicContact CG-CD2 4.02Å; Y179-L190 HydrophobicContact CG-CG 4.14Å; W180-L190 CarbonylContact O-C 3.6Å; L181-L190 HydrophobicContact CB-CD1 4.44Å; L181-L190 HydrophobicContact CD1-CD1 4.3Å; L190-N198 CarbonylContact O-C 3.52Å; L190-N198 WeakPolarHBondContact O-CA 3.46Å; L190-I199 PolarHBondContact O-N 2.74Å; L190-L200 HydrophobicContact CB-CB 4.43Å; L190-L200 PolarHBondContact N-O 3.06Å; L190-W202 HydrophobicContact CB-CH2 3.85Å; L190-W202 HydrophobicContact CB-CZ3 3.74Å; L190-W202 HydrophobicContact CD2-CH2 4.25Å; L190-F234 HydrophobicContact CD1-CD1 4.49Å; L190-F234 HydrophobicContact CD1-CE1 3.74Å; L190-F234 HydrophobicContact CD1-CZ 4.49Å
191K94.4Very high92.7Very high27 Ų2757.3 Ų57.312%0.11728%0.277CS..EExtended strand (participates in β ladder)trans-125.6144.5-178.2-72.7178.8175.9-170.30111.9E159 W180 I189 K196 R197 N198E159-K191 IonicContact OE1-NZ 2.84Å; E159-K191 PolarHBondContact OE1-NZ 2.83Å; W180-K191 HydrophobicContact CB-CB 3.86Å; W180-K191 PolarHBondContact N-O 2.75Å; W180-K191 PolarHBondContact O-N 3.05Å; I189-K191 HydrophobicContact CG2-CG 4.07Å; K191-K196 WeakPolarHBondContact CD-O 3.3Å; K191-R197 CarbonylContact C-O 3.55Å; K191-R197 WeakPolarHBondContact CA-O 2.95Å; K191-N198 WeakPolarHBondContact CE-OD1 3.16Å
192E92.8Very high92.7Very high72 Ų7257.3 Ų57.334%0.33628%0.277SS..  trans-68.3133.5178.7-171.5-176.5-148.400111.9K194 T195 K196 R197 I199E192-K194 VanDerWaalsContact C-N 3.29Å; E192-K194 PolarHBondContact O-N 3.05Å; E192-T195 WeakPolarHBondContact OE2-CB 3.45Å; E192-T195 WeakPolarHBondContact OE2-CG2 3.21Å; E192-T195 PolarHBondContact OE2-OG1 2.83Å; E192-K196 VanDerWaalsContact O-CA 3.32Å; E192-K196 WeakPolarHBondContact O-CA 3.37Å; E192-K196 PolarHBondContact O-N 2.83Å; E192-R197 PolarHBondContact N-O 2.86Å; E192-I199 HydrophobicContact CB-CD1 3.98Å; E192-I199 HydrophobicContact CB-CG1 4.23Å
193P90.6Very high92.8Very high44 Ų4458.8 Ų58.829%0.28629%0.288SS..THydrogen-bonded Turntrans-49.4-42.2179.1-33.937.4000116.1W161 S178W161-P193 HydrophobicContact CH2-CB 3.88Å; W161-P193 HydrophobicContact CH2-CG 4.19Å; W161-P193 HydrophobicContact CZ3-CB 4.03Å; W161-P193 HydrophobicContact CZ3-CG 4.37Å; S178-P193 WeakPolarHBondContact O-CG 3.49Å
194K87.6Confident92.8Very high195 Ų19559.2 Ų59.285%0.84829%0.289SS*.THydrogen-bonded Turntrans-91-28-168.3-66.5-179.7-179.61750113.9E192E192-K194 VanDerWaalsContact C-N 3.29Å; E192-K194 PolarHBondContact O-N 3.05Å
195T88.2Confident93Very high59 Ų5961.5 Ų61.536%0.36230%0.298SS..THydrogen-bonded Turntrans-118.8-8.7-173.7710000113.7E192 R197E192-T195 WeakPolarHBondContact OE2-CB 3.45Å; E192-T195 WeakPolarHBondContact OE2-CG2 3.21Å; E192-T195 PolarHBondContact OE2-OG1 2.83Å; T195-R197 PolarHBondContact O-N 2.87Å; T195-R197 WeakPolarHBondContact OG1-CB 3.35Å; T195-R197 WeakPolarHBondContact OG1-CD 3.26Å; T195-R197 VanDerWaalsContact OG1-CG 3.25Å; T195-R197 WeakPolarHBondContact OG1-CG 3.3Å; T195-R197 PolarHBondContact OG1-N 3Å
196K87.2Confident93.2Very high85 Ų8558.2 Ų58.237%0.3728%0.28SS..  trans50.318.9-169.5-71.3-161.4173.3-165.70114.7E159 K191 E192E159-K196 WeakPolarHBondContact OE2-CE 3.19Å; E159-K196 IonicContact OE2-NZ 2.65Å; E159-K196 PolarHBondContact OE2-NZ 2.82Å; K191-K196 WeakPolarHBondContact CD-O 3.3Å; E192-K196 VanDerWaalsContact O-CA 3.32Å; E192-K196 WeakPolarHBondContact O-CA 3.37Å; E192-K196 PolarHBondContact O-N 2.83Å
197R90.8Very high93.5Very high173 Ų17354.8 Ų54.865%0.65327%0.265SS*.  trans-69.9138.9173-69.4171.2-176.2148.7-2110.5K191 E192 T195 I199K191-R197 CarbonylContact C-O 3.55Å; K191-R197 WeakPolarHBondContact CA-O 2.95Å; E192-R197 PolarHBondContact N-O 2.86Å; T195-R197 PolarHBondContact O-N 2.87Å; T195-R197 WeakPolarHBondContact OG1-CB 3.35Å; T195-R197 WeakPolarHBondContact OG1-CD 3.26Å; T195-R197 VanDerWaalsContact OG1-CG 3.25Å; T195-R197 WeakPolarHBondContact OG1-CG 3.3Å; T195-R197 PolarHBondContact OG1-N 3Å; R197-I199 PolarHBondContact O-N 3.17Å
198N93Very high93.5Very high91 Ų9160.3 Ų60.349%0.48728%0.284SS..EExtended strand (participates in β ladder)trans-64129.3172.8-57.93.4000109.5I189 L190 K191I189-N198 HydrophobicContact CG2-CB 3.83Å; L190-N198 CarbonylContact O-C 3.52Å; L190-N198 WeakPolarHBondContact O-CA 3.46Å; K191-N198 WeakPolarHBondContact CE-OD1 3.16Å
199I93.5Very high93.4Very high74 Ų7469 Ų6938%0.37932%0.317SS..EExtended strand (participates in β ladder)trans-101.6-46.9176.5-50.7177.6000109.8L175 Y179 L190 E192 R197L175-I199 HydrophobicContact CD2-CG2 4.33Å; Y179-I199 HydrophobicContact CD1-CD1 3.63Å; Y179-I199 HydrophobicContact CE1-CD1 3.49Å; Y179-I199 VanDerWaalsContact CE1-CD1 3.49Å; L190-I199 PolarHBondContact O-N 2.74Å; E192-I199 HydrophobicContact CB-CD1 3.98Å; E192-I199 HydrophobicContact CB-CG1 4.23Å; R197-I199 PolarHBondContact O-N 3.17Å
200L94.6Very high93.4Very high25 Ų2571.6 Ų71.613%0.13133%0.327CS..EExtended strand (participates in β ladder)trans-139.6149.4-179.8-69.6174.1000110.1C173 L175 I189 L190 W202C173-L200 HydrophobicContact CB-CD1 4.11Å; L175-L200 HydrophobicContact CD1-CD1 3.82Å; L175-L200 HydrophobicContact CD2-CD1 4.32Å; L175-L200 HydrophobicContact CG-CD1 4.43Å; I189-L200 WeakPolarHBondContact CA-O 3.4Å; L190-L200 HydrophobicContact CB-CB 4.43Å; L190-L200 PolarHBondContact N-O 3.06Å; L200-W202 HydrophobicContact CB-CH2 3.88Å; L200-W202 HydrophobicContact CB-CZ2 3.79Å; L200-W202 HydrophobicContact CB-CZ3 4.28Å; L200-W202 HydrophobicContact CD1-CH2 3.99Å; L200-W202 HydrophobicContact CD1-CZ2 3.49Å; L200-W202 VanDerWaalsContact CD1-CZ2 3.49Å; L200-W202 HydrophobicContact CG-CZ2 4.3Å
201V96.3Very high93.4Very high51 Ų5172.5 Ų72.531%0.30934%0.336SS..EExtended strand (participates in β ladder)trans-129.1131.8175.6-177.50000108.2A187 L188 I189A187-V201 HydrophobicContact CB-CG1 3.64Å; L188-V201 CarbonylContact O-C 3.55Å; L188-V201 WeakPolarHBondContact O-CA 3.03Å; I189-V201 HydrophobicContact CG1-CG1 4.29Å; I189-V201 HydrophobicContact CG1-CG2 4.27Å; I189-V201 HydrophobicContact CG2-CG2 4.38Å
202W96.8Very high93.4Very high0 Ų075.9 Ų75.90%035%0.348CS..EExtended strand (participates in β ladder)trans-123.294.5175.7-56.7-83.4000109.4L181 A187 L188 L190 L200 Y204 L207 F219 S227 F232 F234L181-W202 HydrophobicContact CD1-CZ3 4.47Å; A187-W202 WeakPolarHBondContact CA-O 2.86Å; A187-W202 WeakPolarHBondContact CB-O 3.43Å; L188-W202 HydrophobicContact CB-CB 4.41Å; L188-W202 HydrophobicContact CB-CE3 3.9Å; L188-W202 PolarHBondContact N-O 2.89Å; L188-W202 PolarHBondContact O-N 3.46Å; L190-W202 HydrophobicContact CB-CH2 3.85Å; L190-W202 HydrophobicContact CB-CZ3 3.74Å; L190-W202 HydrophobicContact CD2-CH2 4.25Å; L200-W202 HydrophobicContact CB-CH2 3.88Å; L200-W202 HydrophobicContact CB-CZ2 3.79Å; L200-W202 HydrophobicContact CB-CZ3 4.28Å; L200-W202 HydrophobicContact CD1-CH2 3.99Å; L200-W202 HydrophobicContact CD1-CZ2 3.49Å; L200-W202 VanDerWaalsContact CD1-CZ2 3.49Å; L200-W202 HydrophobicContact CG-CZ2 4.3Å; W202-Y204 PolarHBondContact O-N 2.66Å; W202-L207 HydrophobicContact CB-CD2 3.92Å; W202-F219 HydrophobicContact CB-CE2 4.41Å; W202-F219 AromaticContact CD1-CE2 3.94Å; W202-F219 AromaticContact CD2-CE2 3.75Å; W202-F219 HydrophobicContact CD2-CE2 3.75Å; W202-F219 AromaticContact CD2-CZ 3.45Å; W202-F219 HydrophobicContact CD2-CZ 3.45Å; W202-F219 VanDerWaalsContact CD2-CZ 3.45Å; W202-F219 AromaticContact CE2-CE2 3.8Å; W202-F219 AromaticContact CE2-CZ 3.63Å; W202-F219 HydrophobicContact CE3-CE1 4.29Å; W202-F219 HydrophobicContact CE3-CE2 4.28Å; W202-F219 AromaticContact CE3-CZ 3.52Å; W202-F219 HydrophobicContact CE3-CZ 3.52Å; W202-F219 AromaticContact CG-CE2 3.81Å; W202-F219 HydrophobicContact CG-CE2 3.81Å; W202-F219 AromaticContact CG-CZ 3.98Å; W202-F219 HydrophobicContact CG-CZ 3.98Å; W202-F219 AromaticContact CH2-CZ 3.88Å; W202-F219 HydrophobicContact CH2-CZ 3.88Å; W202-F219 HydrophobicContact CZ2-CE2 4.33Å; W202-F219 AromaticContact CZ2-CZ 3.85Å; W202-F219 HydrophobicContact CZ2-CZ 3.85Å; W202-F219 HydrophobicContact CZ3-CE1 4.35Å; W202-F219 AromaticContact CZ3-CZ 3.72Å; W202-F219 HydrophobicContact CZ3-CZ 3.72Å; W202-F219 AromaticContact NE1-CE2 3.94Å; W202-S227 PolarHBondContact NE1-OG 2.62Å; W202-F232 HydrophobicContact CZ2-CD1 4.05Å; W202-F232 HydrophobicContact CZ2-CD2 4.31Å; W202-F232 HydrophobicContact CZ2-CE1 4.09Å; W202-F232 HydrophobicContact CZ2-CE2 4.35Å; W202-F232 HydrophobicContact CZ2-CG 4.18Å; W202-F232 HydrophobicContact CZ2-CZ 4.26Å; W202-F232 AromaticContact NE1-CE2 3.93Å; W202-F234 HydrophobicContact CH2-CZ 4.13Å; W202-F234 HydrophobicContact CZ3-CZ 4.49Å
203P95.8Very high93.5Very high44 Ų4476.9 Ų76.929%0.28636%0.356SS..EExtended strand (participates in β ladder)trans-56.8133.4173.5-23.333.9000110.3K205 L206 L207P203-K205 PolarHBondContact O-N 3.41Å; P203-K205 VanDerWaalsContact O-N 3.11Å; P203-L206 HydrophobicContact CB-CD1 4.35Å; P203-L206 HydrophobicContact CB-CG 4.31Å; P203-L206 HydrophobicContact CG-CD1 4.12Å; P203-L206 WeakPolarHBondContact O-CA 3.45Å; P203-L206 WeakPolarHBondContact O-CB 3.41Å; P203-L206 PolarHBondContact O-N 3.36Å; P203-L207 PolarHBondContact O-N 3.37Å
204Y95.2Very high93.4Very high9 Ų985.3 Ų85.34%0.03538%0.382CS..G310 helixtrans-59.3-32.6-173.7-60.6-47.4000112.7E184 E186 A187 L188 W202 L206 L207 V246 A249 I250E184-Y204 WeakPolarHBondContact O-CE2 3.49Å; E184-Y204 VanDerWaalsContact O-CZ 3.27Å; E184-Y204 PolarHBondContact O-OH 2.92Å; E186-Y204 WeakPolarHBondContact O-CD2 3.39Å; E186-Y204 PolarHBondContact O-N 2.96Å; A187-Y204 PolarHBondContact O-OH 3.45Å; L188-Y204 HydrophobicContact CD2-CE1 3.94Å; L188-Y204 HydrophobicContact CG-CE1 3.78Å; W202-Y204 PolarHBondContact O-N 2.66Å; Y204-L206 PolarHBondContact O-N 3.06Å; Y204-L207 HydrophobicContact CD1-CD1 3.94Å; Y204-L207 PolarHBondContact O-N 2.92Å; Y204-L207 VanDerWaalsContact O-N 3.09Å; Y204-V246 HydrophobicContact CD1-CG1 4.03Å; Y204-V246 HydrophobicContact CE1-CB 4.21Å; Y204-V246 HydrophobicContact CE1-CG1 3.78Å; Y204-V246 HydrophobicContact CE1-CG2 3.8Å; Y204-A249 HydrophobicContact CD2-CB 4.18Å; Y204-A249 HydrophobicContact CE2-CB 3.57Å; Y204-I250 HydrophobicContact CD1-CD1 4.32Å; Y204-I250 HydrophobicContact CD1-CG1 4.44Å; Y204-I250 HydrophobicContact CD2-CG1 4Å; Y204-I250 HydrophobicContact CG-CD1 4.11Å; Y204-I250 HydrophobicContact CG-CG1 3.78Å
205K93.9Very high93.7Very high126 Ų12680 Ų8055%0.54837%0.366SS..G310 helixtrans-59.5-11.8173.6-58.4173.2172.877.90114.2E186 P203 Q253E186-K205 IonicContact OE1-NZ 2.68Å; E186-K205 PolarHBondContact OE1-NZ 3.33Å; E186-K205 IonicContact OE2-NZ 3.9Å; E186-K205 PolarHBondContact OE2-NZ 2.8Å; P203-K205 PolarHBondContact O-N 3.41Å; P203-K205 VanDerWaalsContact O-N 3.11Å; K205-Q253 VanDerWaalsContact NZ-CD 3.3Å
206L95Very high94Very high41 Ų4179.2 Ų79.222%0.21536%0.359CS..G310 helixtrans-115.5-5.5179.5-56.6-176.4000113.5P203 Y204 G222 R224 C225P203-L206 HydrophobicContact CB-CD1 4.35Å; P203-L206 HydrophobicContact CB-CG 4.31Å; P203-L206 HydrophobicContact CG-CD1 4.12Å; P203-L206 WeakPolarHBondContact O-CA 3.45Å; P203-L206 WeakPolarHBondContact O-CB 3.41Å; P203-L206 PolarHBondContact O-N 3.36Å; Y204-L206 PolarHBondContact O-N 3.06Å; L206-G222 WeakPolarHBondContact O-CA 3.46Å; L206-G222 PolarHBondContact O-N 3.48Å; L206-R224 HydrophobicContact CD1-CB 4.15Å; L206-R224 HydrophobicContact CD2-CB 3.94Å; L206-C225 VanDerWaalsContact CB-SG 3.57Å
207L95.6Very high94.5Very high22 Ų2275.2 Ų75.212%0.11534%0.341CS..EExtended strand (participates in β ladder)trans-71.7145.1165.7-61.4-174.9000109.7L188 W202 P203 Y204 F219L188-L207 HydrophobicContact CD1-CD1 4.43Å; W202-L207 HydrophobicContact CB-CD2 3.92Å; P203-L207 PolarHBondContact O-N 3.37Å; Y204-L207 HydrophobicContact CD1-CD1 3.94Å; Y204-L207 PolarHBondContact O-N 2.92Å; Y204-L207 VanDerWaalsContact O-N 3.09Å; L207-F219 HydrophobicContact CD1-CB 4.4Å; L207-F219 HydrophobicContact CD2-CB 4.37Å; L207-F219 HydrophobicContact CD2-CD2 3.45Å; L207-F219 VanDerWaalsContact CD2-CD2 3.45Å; L207-F219 HydrophobicContact CD2-CE2 3.94Å; L207-F219 HydrophobicContact CD2-CG 4.07Å
208R95.1Very high94.8Very high121 Ų12168.4 Ų68.446%0.45732%0.32SS..EExtended strand (participates in β ladder)trans-93.3-42.2173.7-68.3169.2166.6170.3-4.3111.7E220R208-E220 HydrophobicContact CB-CB 4.27Å; R208-E220 HydrophobicContact CB-CG 4.42Å; R208-E220 VanDerWaalsContact CD-CD 3.46Å; R208-E220 WeakPolarHBondContact CD-OE1 3.26Å; R208-E220 IonicContact CZ-OE1 2.66Å; R208-E220 PolarHBondContact N-O 3.44Å; R208-E220 IonicContact NE-OE1 2.94Å; R208-E220 IonicContact NH1-OE1 2.68Å; R208-E220 PolarHBondContact NH1-OE1 2.89Å
209R95.1Very high95Very high181 Ų18164.3 Ų64.368%0.68330%0.298SS*.EExtended strand (participates in β ladder)trans-152.5150.8-173.3-58.6-177.567.4-140.4-1.8109F219 E220R209-F219 CarbonylContact O-C 3.55Å; R209-F219 VanDerWaalsContact O-CA 3.29Å; R209-F219 WeakPolarHBondContact O-CA 3.46Å; R209-F219 WeakPolarHBondContact O-CB 3.23Å; R209-E220 HydrophobicContact CB-CB 4.31Å; R209-E220 PolarHBondContact O-N 2.96Å
210Y95.6Very high95.2Very high64 Ų6463.4 Ų63.425%0.25129%0.292SS..EExtended strand (participates in β ladder)trans-141.8156.2171.649.6-81.8000108.9S218 F243 V246 D247 I250Y210-S218 CarbonylContact C-O 3.58Å; Y210-S218 WeakPolarHBondContact CA-O 3.31Å; Y210-F243 AromaticContact CD2-CD2 3.61Å; Y210-F243 HydrophobicContact CD2-CD2 3.61Å; Y210-F243 AromaticContact CD2-CE2 3.44Å; Y210-F243 HydrophobicContact CD2-CE2 3.44Å; Y210-F243 VanDerWaalsContact CD2-CE2 3.44Å; Y210-F243 HydrophobicContact CD2-CG 4.32Å; Y210-F243 HydrophobicContact CD2-CZ 4.04Å; Y210-F243 HydrophobicContact CE2-CD2 4.19Å; Y210-F243 HydrophobicContact CE2-CE1 4.36Å; Y210-F243 AromaticContact CE2-CE2 3.76Å; Y210-F243 HydrophobicContact CE2-CE2 3.76Å; Y210-F243 AromaticContact CE2-CZ 3.85Å; Y210-F243 HydrophobicContact CE2-CZ 3.85Å; Y210-V246 HydrophobicContact CD2-CG1 4.02Å; Y210-V246 HydrophobicContact CE2-CG1 4.25Å; Y210-V246 HydrophobicContact CG-CG1 4.18Å; Y210-D247 HydrophobicContact CE2-CB 4.09Å; Y210-D247 WeakPolarHBondContact CE2-OD1 3.32Å; Y210-D247 PolarHBondContact OH-OD1 2.83Å; Y210-I250 HydrophobicContact CD1-CD1 4.08Å; Y210-I250 HydrophobicContact CE1-CD1 3.4Å; Y210-I250 VanDerWaalsContact CE1-CD1 3.4Å; Y210-I250 HydrophobicContact CE2-CD1 4.46Å
211G95.1Very high95.3Very high19 Ų1962.2 Ų62.220%0.19629%0.286CS..EExtended strand (participates in β ladder)trans-165.8166-172.100000112.7F217 S218G211-F217 VanDerWaalsContact O-CD2 3.26Å; G211-F217 WeakPolarHBondContact O-CD2 3.5Å; G211-S218 PolarHBondContact N-O 3.4Å; G211-S218 PolarHBondContact O-N 2.83Å
212R94.7Very high95.2Very high98 Ų9860.2 Ų60.237%0.3728%0.275SS..EExtended strand (participates in β ladder)trans-145.6157-177.974.9-148.1-171.9173.7-14.1111.8M216 G239 N240 F243 T244R212-M216 CarbonylContact C-O 3.55Å; R212-M216 WeakPolarHBondContact CA-O 3.15Å; R212-G239 VanDerWaalsContact CB-O 3.26Å; R212-G239 WeakPolarHBondContact CB-O 3.4Å; R212-N240 PolarHBondContact NE-OD1 2.98Å; R212-N240 PolarHBondContact NH1-O 2.96Å; R212-N240 PolarHBondContact NH1-OD1 3.35Å; R212-N240 PolarHBondContact NH2-OD1 2.93Å; R212-F243 HydrophobicContact CB-CB 4.19Å; R212-F243 HydrophobicContact CB-CD2 4.46Å; R212-F243 VanDerWaalsContact CD-CG 3.42Å; R212-F243 HydrophobicContact CG-CB 4.35Å; R212-F243 HydrophobicContact CG-CD2 4.47Å; R212-F243 HydrophobicContact CG-CG 4.47Å; R212-F243 VanDerWaalsContact NH1-CD1 3.28Å; R212-T244 PolarHBondContact NH1-OG1 3.31Å
213D93.5Very high95.1Very high92 Ų9270 Ų7049%0.49231%0.312SS..EExtended strand (participates in β ladder)trans-139.7175.7161.7-172.919000108.1V215 M216D213-V215 PolarHBondContact O-N 3.02Å; D213-M216 HydrophobicContact CB-CE 4.22Å; D213-M216 HydrophobicContact CB-CG 4.04Å; D213-M216 PolarHBondContact N-O 2.65Å; D213-M216 PolarHBondContact O-N 3.4Å; D213-M216 VanDerWaalsContact O-O 3.05Å
214R89.8Confident95.1Very high221 Ų22177.3 Ų77.383%0.83433%0.334SS*.THydrogen-bonded Turntrans-59.5-17-179.4-61178.8177.9-177.7-1.3114.4
215V93.6Very high95Very high84 Ų8477.2 Ų77.251%0.50934%0.335SS..THydrogen-bonded Turntrans-127.4-3.4-176.4-60.90000114.1D213 E235 T236D213-V215 PolarHBondContact O-N 3.02Å; V215-E235 WeakPolarHBondContact O-CA 3.42Å; V215-T236 CarbonylContact C-O 3.59Å; V215-T236 PolarHBondContact O-N 3.45Å
216M94.4Very high94.8Very high43 Ų4378.1 Ų78.121%0.21235%0.345CS..EExtended strand (participates in β ladder)trans-150.7155.1-179.765.8114.8-107.800114R212 D213 S218 T233 F234 T236R212-M216 CarbonylContact C-O 3.55Å; R212-M216 WeakPolarHBondContact CA-O 3.15Å; D213-M216 HydrophobicContact CB-CE 4.22Å; D213-M216 HydrophobicContact CB-CG 4.04Å; D213-M216 PolarHBondContact N-O 2.65Å; D213-M216 PolarHBondContact O-N 3.4Å; D213-M216 VanDerWaalsContact O-O 3.05Å; M216-S218 WeakPolarHBondContact CE-OG 3.47Å; M216-T233 HydrophobicContact CB-CG2 4.21Å; M216-T233 HydrophobicContact CG-CG2 4.46Å; M216-T233 HydrophobicContact SD-CG2 3.69Å; M216-F234 CarbonylContact C-O 3.54Å; M216-F234 WeakPolarHBondContact CA-O 3.4Å; M216-F234 WeakPolarHBondContact CB-O 3.26Å; M216-T236 PolarHBondContact N-O 3.42Å
217F97.3Very high94.7Very high0 Ų076.3 Ų76.30%034%0.336CS..EExtended strand (participates in β ladder)trans-119.1140.1165.6175.5-107.3000108.6L181 L188 G211 F219 F234 T236 I242 F243 V246L181-F217 HydrophobicContact CD2-CD1 3.89Å; L181-F217 HydrophobicContact CD2-CE1 4.11Å; L188-F217 HydrophobicContact CD1-CE1 3.77Å; L188-F217 HydrophobicContact CD1-CZ 4.13Å; G211-F217 VanDerWaalsContact O-CD2 3.26Å; G211-F217 WeakPolarHBondContact O-CD2 3.5Å; F217-F219 AromaticContact CE1-CD1 3.79Å; F217-F219 HydrophobicContact CE1-CD1 3.79Å; F217-F219 HydrophobicContact CE1-CE1 4.38Å; F217-F219 HydrophobicContact CZ-CD1 4.41Å; F217-F234 HydrophobicContact CD1-CD2 4.35Å; F217-F234 PolarHBondContact N-O 2.81Å; F217-F234 PolarHBondContact O-N 3.1Å; F217-T236 HydrophobicContact CB-CG2 4.08Å; F217-I242 HydrophobicContact CB-CD1 4.26Å; F217-I242 HydrophobicContact CD1-CG2 3.69Å; F217-I242 HydrophobicContact CD2-CB 4.14Å; F217-I242 HydrophobicContact CD2-CG2 3.8Å; F217-I242 HydrophobicContact CE1-CG2 3.62Å; F217-I242 HydrophobicContact CE2-CB 4.43Å; F217-I242 HydrophobicContact CE2-CG2 3.75Å; F217-I242 HydrophobicContact CG-CB 4.23Å; F217-I242 HydrophobicContact CG-CD1 4.47Å; F217-I242 HydrophobicContact CG-CG2 3.78Å; F217-I242 HydrophobicContact CZ-CG2 3.66Å; F217-F243 HydrophobicContact CD2-CB 4.32Å; F217-F243 HydrophobicContact CE2-CB 4.07Å; F217-V246 HydrophobicContact CZ-CG2 4.23Å
218S96.4Very high94.6Very high30 Ų3075.9 Ų75.921%0.2134%0.338CS..EExtended strand (participates in β ladder)trans-145.1153.3178.166.30000113.5Y210 G211 M216 F232Y210-S218 CarbonylContact C-O 3.58Å; Y210-S218 WeakPolarHBondContact CA-O 3.31Å; G211-S218 PolarHBondContact N-O 3.4Å; G211-S218 PolarHBondContact O-N 2.83Å; M216-S218 WeakPolarHBondContact CE-OG 3.47Å; S218-F232 CarbonylContact C-O 3.59Å; S218-F232 WeakPolarHBondContact CA-O 3.38Å; S218-F232 WeakPolarHBondContact CB-O 3.34Å
219F97.2Very high94.6Very high6 Ų672.9 Ų72.93%0.02633%0.334CS..EExtended strand (participates in β ladder)trans-146.9160.1173.563.4-98.9000112.2L188 W202 L207 R209 F217 A221 N231 F232 F234L188-F219 HydrophobicContact CD1-CD1 3.35Å; L188-F219 HydrophobicContact CD1-CE1 3.27Å; L188-F219 HydrophobicContact CD1-CG 4.16Å; L188-F219 HydrophobicContact CD1-CZ 4.05Å; W202-F219 HydrophobicContact CB-CE2 4.41Å; W202-F219 AromaticContact CD1-CE2 3.94Å; W202-F219 AromaticContact CD2-CE2 3.75Å; W202-F219 HydrophobicContact CD2-CE2 3.75Å; W202-F219 AromaticContact CD2-CZ 3.45Å; W202-F219 HydrophobicContact CD2-CZ 3.45Å; W202-F219 VanDerWaalsContact CD2-CZ 3.45Å; W202-F219 AromaticContact CE2-CE2 3.8Å; W202-F219 AromaticContact CE2-CZ 3.63Å; W202-F219 HydrophobicContact CE3-CE1 4.29Å; W202-F219 HydrophobicContact CE3-CE2 4.28Å; W202-F219 AromaticContact CE3-CZ 3.52Å; W202-F219 HydrophobicContact CE3-CZ 3.52Å; W202-F219 AromaticContact CG-CE2 3.81Å; W202-F219 HydrophobicContact CG-CE2 3.81Å; W202-F219 AromaticContact CG-CZ 3.98Å; W202-F219 HydrophobicContact CG-CZ 3.98Å; W202-F219 AromaticContact CH2-CZ 3.88Å; W202-F219 HydrophobicContact CH2-CZ 3.88Å; W202-F219 HydrophobicContact CZ2-CE2 4.33Å; W202-F219 AromaticContact CZ2-CZ 3.85Å; W202-F219 HydrophobicContact CZ2-CZ 3.85Å; W202-F219 HydrophobicContact CZ3-CE1 4.35Å; W202-F219 AromaticContact CZ3-CZ 3.72Å; W202-F219 HydrophobicContact CZ3-CZ 3.72Å; W202-F219 AromaticContact NE1-CE2 3.94Å; L207-F219 HydrophobicContact CD1-CB 4.4Å; L207-F219 HydrophobicContact CD2-CB 4.37Å; L207-F219 HydrophobicContact CD2-CD2 3.45Å; L207-F219 VanDerWaalsContact CD2-CD2 3.45Å; L207-F219 HydrophobicContact CD2-CE2 3.94Å; L207-F219 HydrophobicContact CD2-CG 4.07Å; R209-F219 CarbonylContact O-C 3.55Å; R209-F219 VanDerWaalsContact O-CA 3.29Å; R209-F219 WeakPolarHBondContact O-CA 3.46Å; R209-F219 WeakPolarHBondContact O-CB 3.23Å; F217-F219 AromaticContact CE1-CD1 3.79Å; F217-F219 HydrophobicContact CE1-CD1 3.79Å; F217-F219 HydrophobicContact CE1-CE1 4.38Å; F217-F219 HydrophobicContact CZ-CD1 4.41Å; F219-A221 HydrophobicContact CE2-CB 4.44Å; F219-N231 WeakPolarHBondContact O-CA 3.35Å; F219-F232 HydrophobicContact CD2-CB 4.3Å; F219-F232 HydrophobicContact CD2-CD2 4.26Å; F219-F232 HydrophobicContact CE1-CB 4.11Å; F219-F232 HydrophobicContact CE2-CB 3.83Å; F219-F232 AromaticContact CE2-CD2 3.58Å; F219-F232 HydrophobicContact CE2-CD2 3.58Å; F219-F232 AromaticContact CE2-CG 3.96Å; F219-F232 HydrophobicContact CE2-CG 3.96Å; F219-F232 HydrophobicContact CZ-CB 3.71Å; F219-F232 HydrophobicContact CZ-CD2 4.12Å; F219-F232 HydrophobicContact CZ-CG 4.04Å; F219-F232 PolarHBondContact N-O 3.45Å; F219-F232 PolarHBondContact O-N 2.98Å; F219-F234 HydrophobicContact CD1-CE2 4.01Å; F219-F234 HydrophobicContact CE1-CD2 4.36Å; F219-F234 AromaticContact CE1-CE2 3.35Å; F219-F234 HydrophobicContact CE1-CE2 3.35Å; F219-F234 AromaticContact CE1-CZ 3.9Å; F219-F234 HydrophobicContact CE1-CZ 3.9Å; F219-F234 AromaticContact CZ-CE2 3.97Å; F219-F234 HydrophobicContact CZ-CE2 3.97Å; F219-F234 HydrophobicContact CZ-CZ 4.17Å
220E97.5Very high94.6Very high55 Ų5565.2 Ų65.226%0.25731%0.311SS..EExtended strand (participates in β ladder)trans-109.4112.4174.6-167.1-164.1154.500109.9R208 R209 G230R208-E220 HydrophobicContact CB-CB 4.27Å; R208-E220 HydrophobicContact CB-CG 4.42Å; R208-E220 VanDerWaalsContact CD-CD 3.46Å; R208-E220 WeakPolarHBondContact CD-OE1 3.26Å; R208-E220 IonicContact CZ-OE1 2.66Å; R208-E220 PolarHBondContact N-O 3.44Å; R208-E220 IonicContact NE-OE1 2.94Å; R208-E220 IonicContact NH1-OE1 2.68Å; R208-E220 PolarHBondContact NH1-OE1 2.89Å; R209-E220 HydrophobicContact CB-CB 4.31Å; R209-E220 PolarHBondContact O-N 2.96Å; E220-G230 CarbonylContact C-O 3.58Å; E220-G230 WeakPolarHBondContact CA-O 3.29Å
221A97Very high94.7Very high0 Ų066.1 Ų66.10%032%0.32CS..EExtended strand (participates in β ladder)trans-74.6138.2175.300000111.1F219 C225 P229 G230 F232F219-A221 HydrophobicContact CE2-CB 4.44Å; A221-C225 HydrophobicContact CB-CB 4.18Å; A221-P229 WeakPolarHBondContact O-CA 3.48Å; A221-G230 PolarHBondContact N-O 2.86Å; A221-G230 PolarHBondContact O-N 3.47Å; A221-F232 HydrophobicContact CB-CD2 4.14Å; A221-F232 HydrophobicContact CB-CE2 3.87Å
222G94.9Very high94.7Very high8 Ų865.2 Ų65.28%0.08231%0.311CS..  trans-76.3165.7172.100000113.3L206 R224 C225L206-G222 WeakPolarHBondContact O-CA 3.46Å; L206-G222 PolarHBondContact O-N 3.48Å; G222-R224 PolarHBondContact O-N 3.31Å; G222-C225 PolarHBondContact O-N 3.06Å; G222-C225 VanDerWaalsContact O-N 3.12Å
223R95Very high94.8Very high207 Ų20761.2 Ų61.278%0.78130%0.297SS*.THydrogen-bonded Turntrans-60.5-7176.1-64.1-178.8-175.6160.82.8114.9P229R223-P229 HydrophobicContact CG-CB 3.86Å; R223-P229 HydrophobicContact CG-CG 3.99Å
224R94.2Very high95Very high196 Ų19656.8 Ų56.874%0.7427%0.273SS*.THydrogen-bonded Turntrans-102.1-2.9-179.2-66.2-170.2-65.1-120.62.1113.4L206 G222L206-R224 HydrophobicContact CD1-CB 4.15Å; L206-R224 HydrophobicContact CD2-CB 3.94Å; G222-R224 PolarHBondContact O-N 3.31Å
225C93.8Very high95.3Very high8 Ų852.1 Ų52.15%0.05426%0.261CS..SBendtrans-80.3148.4171.3-57.90000110L206 A221 G222 S227 G228L206-C225 VanDerWaalsContact CB-SG 3.57Å; A221-C225 HydrophobicContact CB-CB 4.18Å; G222-C225 PolarHBondContact O-N 3.06Å; G222-C225 VanDerWaalsContact O-N 3.12Å; C225-S227 PolarHBondContact O-N 2.97Å; C225-G228 WeakPolarHBondContact O-CA 3.45Å; C225-G228 PolarHBondContact O-N 3.39Å
226D90.9Very high95.4Very high144 Ų14448.7 Ų48.777%0.7724%0.24SC*.THydrogen-bonded Turntrans-62.7-27-179.3-56.4-43.2000112.9G228D226-G228 PolarHBondContact O-N 3.41Å; D226-G228 VanDerWaalsContact O-N 3.13Å
227S92.2Very high95.3Very high3 Ų355.7 Ų55.72%0.02127%0.27CS..THydrogen-bonded Turntrans-64.7-8.5170.263.80000114.5R172 W202 C225R172-S227 PolarHBondContact NH1-O 2.92Å; R172-S227 PolarHBondContact NH2-O 3.47Å; W202-S227 PolarHBondContact NE1-OG 2.62Å; C225-S227 PolarHBondContact O-N 2.97Å
228G93.3Very high95.1Very high14 Ų1459.1 Ų59.114%0.14429%0.286CS..  trans65.1-175.3-16000000112.6C225 D226C225-G228 WeakPolarHBondContact O-CA 3.45Å; C225-G228 PolarHBondContact O-N 3.39Å; D226-G228 PolarHBondContact O-N 3.41Å; D226-G228 VanDerWaalsContact O-N 3.13Å
229P95.4Very high95Very high58 Ų5857.7 Ų57.738%0.37728%0.276SS..SBendtrans-73.8153.6178.733.8-36.5000112.1R172 A221 R223R172-P229 PolarHBondContact NH1-O 3.34Å; A221-P229 WeakPolarHBondContact O-CA 3.48Å; R223-P229 HydrophobicContact CG-CB 3.86Å; R223-P229 HydrophobicContact CG-CG 3.99Å
230G95.1Very high94.9Very high19 Ų1961.7 Ų61.720%0.19630%0.297CS..EExtended strand (participates in β ladder)trans144.7177.5168.500000113.7E220 A221E220-G230 CarbonylContact C-O 3.58Å; E220-G230 WeakPolarHBondContact CA-O 3.29Å; A221-G230 PolarHBondContact N-O 2.86Å; A221-G230 PolarHBondContact O-N 3.47Å
231N96.6Very high94.6Very high83 Ų8363.1 Ų63.144%0.44430%0.304SS..EExtended strand (participates in β ladder)trans-91.2129.5178.957.9-23.3000111.8T167 A169 F219T167-N231 WeakPolarHBondContact CB-O 3.3Å; T167-N231 PolarHBondContact OG1-O 3.26Å; A169-N231 WeakPolarHBondContact CB-O 3.17Å; F219-N231 WeakPolarHBondContact O-CA 3.35Å
232F96.6Very high94.5Very high1 Ų163.1 Ų63.10%0.00430%0.304CS..EExtended strand (participates in β ladder)trans-111.5121.7169.3-66.4-88.3000108.2A169 L175 W202 S218 F219 A221 F234A169-F232 HydrophobicContact CB-CD1 4.41Å; A169-F232 HydrophobicContact CB-CD2 4.23Å; A169-F232 HydrophobicContact CB-CE1 3.89Å; A169-F232 HydrophobicContact CB-CE2 3.68Å; A169-F232 HydrophobicContact CB-CZ 3.47Å; A169-F232 VanDerWaalsContact CB-CZ 3.47Å; A169-F232 WeakPolarHBondContact O-CE1 3.22Å; L175-F232 HydrophobicContact CD1-CD1 4.12Å; L175-F232 HydrophobicContact CD1-CE1 3.87Å; W202-F232 HydrophobicContact CZ2-CD1 4.05Å; W202-F232 HydrophobicContact CZ2-CD2 4.31Å; W202-F232 HydrophobicContact CZ2-CE1 4.09Å; W202-F232 HydrophobicContact CZ2-CE2 4.35Å; W202-F232 HydrophobicContact CZ2-CG 4.18Å; W202-F232 HydrophobicContact CZ2-CZ 4.26Å; W202-F232 AromaticContact NE1-CE2 3.93Å; S218-F232 CarbonylContact C-O 3.59Å; S218-F232 WeakPolarHBondContact CA-O 3.38Å; S218-F232 WeakPolarHBondContact CB-O 3.34Å; F219-F232 HydrophobicContact CD2-CB 4.3Å; F219-F232 HydrophobicContact CD2-CD2 4.26Å; F219-F232 HydrophobicContact CE1-CB 4.11Å; F219-F232 HydrophobicContact CE2-CB 3.83Å; F219-F232 AromaticContact CE2-CD2 3.58Å; F219-F232 HydrophobicContact CE2-CD2 3.58Å; F219-F232 AromaticContact CE2-CG 3.96Å; F219-F232 HydrophobicContact CE2-CG 3.96Å; F219-F232 HydrophobicContact CZ-CB 3.71Å; F219-F232 HydrophobicContact CZ-CD2 4.12Å; F219-F232 HydrophobicContact CZ-CG 4.04Å; F219-F232 PolarHBondContact N-O 3.45Å; F219-F232 PolarHBondContact O-N 2.98Å; A221-F232 HydrophobicContact CB-CD2 4.14Å; A221-F232 HydrophobicContact CB-CE2 3.87Å; F232-F234 HydrophobicContact CB-CE2 3.56Å; F232-F234 HydrophobicContact CB-CZ 3.82Å
233T96.4Very high94.5Very high13 Ų1364.9 Ų64.98%0.0831%0.309CS..EExtended strand (participates in β ladder)trans-117.9136.7176.2-58.70000108.8Q165 M216Q165-T233 HydrophobicContact CB-CG2 4.08Å; Q165-T233 WeakPolarHBondContact CB-O 3.26Å; Q165-T233 PolarHBondContact N-O 3.1Å; Q165-T233 VanDerWaalsContact OE1-CG2 3.23Å; M216-T233 HydrophobicContact CB-CG2 4.21Å; M216-T233 HydrophobicContact CG-CG2 4.46Å; M216-T233 HydrophobicContact SD-CG2 3.69Å
234F96.7Very high94.5Very high0 Ų057.8 Ų57.80%029%0.289CS..EExtended strand (participates in β ladder)trans-129.4122.2-178.2-51.9-98000109.1V162 T163 V164 L190 W202 M216 F217 F219 F232 T236V162-F234 HydrophobicContact CB-CB 3.95Å; V162-F234 HydrophobicContact CB-CD1 4.47Å; V162-F234 HydrophobicContact CG2-CB 4Å; V162-F234 HydrophobicContact CG2-CD1 3.59Å; V162-F234 HydrophobicContact CG2-CE1 4.44Å; V162-F234 HydrophobicContact CG2-CG 4.1Å; T163-F234 CarbonylContact O-C 3.45Å; T163-F234 VanDerWaalsContact O-CA 3.26Å; T163-F234 WeakPolarHBondContact O-CA 3.36Å; V164-F234 HydrophobicContact CG2-CD1 3.7Å; V164-F234 HydrophobicContact CG2-CE1 3.62Å; L190-F234 HydrophobicContact CD1-CD1 4.49Å; L190-F234 HydrophobicContact CD1-CE1 3.74Å; L190-F234 HydrophobicContact CD1-CZ 4.49Å; W202-F234 HydrophobicContact CH2-CZ 4.13Å; W202-F234 HydrophobicContact CZ3-CZ 4.49Å; M216-F234 CarbonylContact C-O 3.54Å; M216-F234 WeakPolarHBondContact CA-O 3.4Å; M216-F234 WeakPolarHBondContact CB-O 3.26Å; F217-F234 HydrophobicContact CD1-CD2 4.35Å; F217-F234 PolarHBondContact N-O 2.81Å; F217-F234 PolarHBondContact O-N 3.1Å; F219-F234 HydrophobicContact CD1-CE2 4.01Å; F219-F234 HydrophobicContact CE1-CD2 4.36Å; F219-F234 AromaticContact CE1-CE2 3.35Å; F219-F234 HydrophobicContact CE1-CE2 3.35Å; F219-F234 AromaticContact CE1-CZ 3.9Å; F219-F234 HydrophobicContact CE1-CZ 3.9Å; F219-F234 AromaticContact CZ-CE2 3.97Å; F219-F234 HydrophobicContact CZ-CE2 3.97Å; F219-F234 HydrophobicContact CZ-CZ 4.17Å; F232-F234 HydrophobicContact CB-CE2 3.56Å; F232-F234 HydrophobicContact CB-CZ 3.82Å; F234-T236 PolarHBondContact O-N 3.39Å
235E96.4Very high94.4Very high123 Ų12351.1 Ų51.158%0.57527%0.268SS*.EExtended strand (participates in β ladder)trans-70.8122170.9-176.4-179.2-15600109.3T163 V215T163-E235 PolarHBondContact N-O 3.18Å; T163-E235 PolarHBondContact O-N 3.43Å; V215-E235 WeakPolarHBondContact O-CA 3.42Å
236T95Very high94.4Very high12 Ų1250.7 Ų50.77%0.07427%0.265CS..  trans-168.6143.6178.31800000111.1V162 V215 M216 F217 F234 Q238 I242V162-T236 HydrophobicContact CG1-CG2 3.91Å; V215-T236 CarbonylContact C-O 3.59Å; V215-T236 PolarHBondContact O-N 3.45Å; M216-T236 PolarHBondContact N-O 3.42Å; F217-T236 HydrophobicContact CB-CG2 4.08Å; F234-T236 PolarHBondContact O-N 3.39Å; T236-Q238 VanDerWaalsContact C-N 3.3Å; T236-Q238 PolarHBondContact OG1-N 3.33Å; T236-I242 HydrophobicContact CG2-CD1 3.7Å
237K93.9Very high94.6Very high190 Ų19045.8 Ų45.883%0.82624%0.239SC*.THydrogen-bonded Turntrans-74.6-22.2174.3-62.4-178.4-179.6-179.30112.5G239K237-G239 PolarHBondContact O-N 2.77Å
238Q92.8Very high94.7Very high72 Ų7250.3 Ų50.334%0.33626%0.262SS..THydrogen-bonded Turntrans-88.115.9-177-61.6179.7-89.800112.6F160 T236 N240 E241 I242F160-Q238 HydrophobicContact CD1-CB 3.68Å; F160-Q238 HydrophobicContact CD1-CG 4.29Å; F160-Q238 HydrophobicContact CE1-CB 4.03Å; T236-Q238 VanDerWaalsContact C-N 3.3Å; T236-Q238 PolarHBondContact OG1-N 3.33Å; Q238-N240 PolarHBondContact O-N 3.35Å; Q238-N240 VanDerWaalsContact O-N 3.1Å; Q238-E241 WeakPolarHBondContact CG-OE2 3.45Å; Q238-E241 PolarHBondContact NE2-OE2 3.25Å; Q238-E241 PolarHBondContact O-N 2.97Å; Q238-I242 HydrophobicContact CB-CD1 4.49Å; Q238-I242 WeakPolarHBondContact O-CG1 3.34Å; Q238-I242 PolarHBondContact O-N 3.03Å
239G94.1Very high94.7Very high0 Ų050.4 Ų50.40%026%0.261CS..Hα-helixtrans-57.8-26.6179.800000113.7R212 K237 F243R212-G239 VanDerWaalsContact CB-O 3.26Å; R212-G239 WeakPolarHBondContact CB-O 3.4Å; K237-G239 PolarHBondContact O-N 2.77Å; G239-F243 PolarHBondContact O-N 3.01Å
240N94.1Very high94.6Very high89 Ų8948.4 Ų48.448%0.47625%0.247SC..Hα-helixtrans-63.6-57.2170.4-16764.9000111.7R212 Q238 I242 F243 T244R212-N240 PolarHBondContact NE-OD1 2.98Å; R212-N240 PolarHBondContact NH1-O 2.96Å; R212-N240 PolarHBondContact NH1-OD1 3.35Å; R212-N240 PolarHBondContact NH2-OD1 2.93Å; Q238-N240 PolarHBondContact O-N 3.35Å; Q238-N240 VanDerWaalsContact O-N 3.1Å; N240-I242 PolarHBondContact O-N 2.91Å; N240-F243 PolarHBondContact O-N 3.05Å; N240-T244 PolarHBondContact O-N 2.78Å; N240-T244 VanDerWaalsContact O-N 3.1Å; N240-T244 PolarHBondContact O-OG1 3.21Å
241E92.5Very high94.5Very high86 Ų8652.5 Ų52.540%0.40226%0.262SS..Hα-helixtrans-57.1-48.7179.9-65.1140.5-114.400112F160 Q238 F243 T244 L245F160-E241 HydrophobicContact CE1-CB 3.92Å; F160-E241 HydrophobicContact CZ-CB 4.2Å; Q238-E241 WeakPolarHBondContact CG-OE2 3.45Å; Q238-E241 PolarHBondContact NE2-OE2 3.25Å; Q238-E241 PolarHBondContact O-N 2.97Å; E241-F243 PolarHBondContact O-N 3.1Å; E241-T244 PolarHBondContact O-N 2.9Å; E241-T244 VanDerWaalsContact O-N 3.1Å; E241-L245 PolarHBondContact O-N 3.44Å
242I94.6Very high94.2Very high0 Ų051.4 Ų51.40%026%0.26CS..Hα-helixtrans-56.2-50.7-178.4-62.4160.7000110.6F160 V162 L181 F217 T236 Q238 N240 T244 L245 V246F160-I242 HydrophobicContact CB-CD1 3.91Å; F160-I242 HydrophobicContact CB-CG1 4.11Å; F160-I242 HydrophobicContact CD1-CD1 4.09Å; F160-I242 HydrophobicContact CD1-CG1 3.64Å; F160-I242 HydrophobicContact CD2-CD1 4.29Å; F160-I242 HydrophobicContact CD2-CG1 3.55Å; F160-I242 HydrophobicContact CE1-CG1 3.91Å; F160-I242 HydrophobicContact CE2-CG1 3.82Å; F160-I242 HydrophobicContact CG-CD1 3.82Å; F160-I242 HydrophobicContact CG-CG1 3.46Å; F160-I242 VanDerWaalsContact CG-CG1 3.46Å; F160-I242 HydrophobicContact CZ-CG1 4Å; V162-I242 HydrophobicContact CG1-CD1 4.28Å; L181-I242 HydrophobicContact CD2-CD1 4.46Å; L181-I242 HydrophobicContact CD2-CG2 4.24Å; F217-I242 HydrophobicContact CB-CD1 4.26Å; F217-I242 HydrophobicContact CD1-CG2 3.69Å; F217-I242 HydrophobicContact CD2-CB 4.14Å; F217-I242 HydrophobicContact CD2-CG2 3.8Å; F217-I242 HydrophobicContact CE1-CG2 3.62Å; F217-I242 HydrophobicContact CE2-CB 4.43Å; F217-I242 HydrophobicContact CE2-CG2 3.75Å; F217-I242 HydrophobicContact CG-CB 4.23Å; F217-I242 HydrophobicContact CG-CD1 4.47Å; F217-I242 HydrophobicContact CG-CG2 3.78Å; F217-I242 HydrophobicContact CZ-CG2 3.66Å; T236-I242 HydrophobicContact CG2-CD1 3.7Å; Q238-I242 HydrophobicContact CB-CD1 4.49Å; Q238-I242 WeakPolarHBondContact O-CG1 3.34Å; Q238-I242 PolarHBondContact O-N 3.03Å; N240-I242 PolarHBondContact O-N 2.91Å; I242-T244 VanDerWaalsContact C-N 3.35Å; I242-T244 PolarHBondContact O-N 3.28Å; I242-L245 PolarHBondContact O-N 3.34Å; I242-V246 HydrophobicContact CG2-CG2 4.41Å; I242-V246 VanDerWaalsContact O-CG2 3.23Å; I242-V246 WeakPolarHBondContact O-CG2 3.5Å; I242-V246 PolarHBondContact O-N 3.08Å
243F95.3Very high93.8Very high44 Ų4452.5 Ų52.519%0.19327%0.265CS..Hα-helixtrans-62.7-40.8178178-72.7000112Y210 R212 F217 G239 N240 E241 L245 V246 D247Y210-F243 AromaticContact CD2-CD2 3.61Å; Y210-F243 HydrophobicContact CD2-CD2 3.61Å; Y210-F243 AromaticContact CD2-CE2 3.44Å; Y210-F243 HydrophobicContact CD2-CE2 3.44Å; Y210-F243 VanDerWaalsContact CD2-CE2 3.44Å; Y210-F243 HydrophobicContact CD2-CG 4.32Å; Y210-F243 HydrophobicContact CD2-CZ 4.04Å; Y210-F243 HydrophobicContact CE2-CD2 4.19Å; Y210-F243 HydrophobicContact CE2-CE1 4.36Å; Y210-F243 AromaticContact CE2-CE2 3.76Å; Y210-F243 HydrophobicContact CE2-CE2 3.76Å; Y210-F243 AromaticContact CE2-CZ 3.85Å; Y210-F243 HydrophobicContact CE2-CZ 3.85Å; R212-F243 HydrophobicContact CB-CB 4.19Å; R212-F243 HydrophobicContact CB-CD2 4.46Å; R212-F243 VanDerWaalsContact CD-CG 3.42Å; R212-F243 HydrophobicContact CG-CB 4.35Å; R212-F243 HydrophobicContact CG-CD2 4.47Å; R212-F243 HydrophobicContact CG-CG 4.47Å; R212-F243 VanDerWaalsContact NH1-CD1 3.28Å; F217-F243 HydrophobicContact CD2-CB 4.32Å; F217-F243 HydrophobicContact CE2-CB 4.07Å; G239-F243 PolarHBondContact O-N 3.01Å; N240-F243 PolarHBondContact O-N 3.05Å; E241-F243 PolarHBondContact O-N 3.1Å; F243-L245 VanDerWaalsContact C-N 3.32Å; F243-L245 PolarHBondContact O-N 3.47Å; F243-V246 PolarHBondContact O-N 3.32Å; F243-D247 HydrophobicContact CD1-CB 4.22Å; F243-D247 HydrophobicContact CE1-CB 4.06Å; F243-D247 VanDerWaalsContact O-CB 3.3Å; F243-D247 WeakPolarHBondContact O-CB 3.48Å; F243-D247 PolarHBondContact O-N 3.18Å
244T93.8Very high93.5Very high59 Ų5957.3 Ų57.336%0.36229%0.285SS..Hα-helixtrans-63-41180-61.50000110.8R212 N240 E241 I242 L248R212-T244 PolarHBondContact NH1-OG1 3.31Å; N240-T244 PolarHBondContact O-N 2.78Å; N240-T244 VanDerWaalsContact O-N 3.1Å; N240-T244 PolarHBondContact O-OG1 3.21Å; E241-T244 PolarHBondContact O-N 2.9Å; E241-T244 VanDerWaalsContact O-N 3.1Å; I242-T244 VanDerWaalsContact C-N 3.35Å; I242-T244 PolarHBondContact O-N 3.28Å; T244-L248 HydrophobicContact CG2-CD1 3.92Å; T244-L248 HydrophobicContact CG2-CG 4.46Å; T244-L248 WeakPolarHBondContact O-CB 3.49Å; T244-L248 VanDerWaalsContact O-CG 3.22Å; T244-L248 WeakPolarHBondContact O-CG 3.37Å; T244-L248 PolarHBondContact O-N 3.11Å
245L93.1Very high93.1Very high55 Ų5560.1 Ų60.129%0.28831%0.308SS..Hα-helixtrans-63.9-45.1173.4-68.8174.8000112.4N158 F160 A183 E241 I242 F243 A249N158-L245 HydrophobicContact CB-CD1 4.29Å; F160-L245 HydrophobicContact CE2-CD1 3.71Å; F160-L245 HydrophobicContact CZ-CD1 3.59Å; A183-L245 HydrophobicContact CB-CB 4.31Å; A183-L245 HydrophobicContact CB-CD1 4.4Å; E241-L245 PolarHBondContact O-N 3.44Å; I242-L245 PolarHBondContact O-N 3.34Å; F243-L245 VanDerWaalsContact C-N 3.32Å; F243-L245 PolarHBondContact O-N 3.47Å; L245-A249 VanDerWaalsContact O-CB 3.26Å; L245-A249 WeakPolarHBondContact O-CB 3.25Å; L245-A249 PolarHBondContact O-N 3.38Å
246V94.5Very high92.5Very high0 Ų059.5 Ų59.50%031%0.306CS..Hα-helixtrans-61.8-45.3178.1169.20000111.4A183 L188 Y204 Y210 F217 I242 F243 A249 I250A183-V246 HydrophobicContact CB-CG2 4.49Å; L188-V246 HydrophobicContact CD2-CG2 3.62Å; L188-V246 HydrophobicContact CG-CG2 4.44Å; Y204-V246 HydrophobicContact CD1-CG1 4.03Å; Y204-V246 HydrophobicContact CE1-CB 4.21Å; Y204-V246 HydrophobicContact CE1-CG1 3.78Å; Y204-V246 HydrophobicContact CE1-CG2 3.8Å; Y210-V246 HydrophobicContact CD2-CG1 4.02Å; Y210-V246 HydrophobicContact CE2-CG1 4.25Å; Y210-V246 HydrophobicContact CG-CG1 4.18Å; F217-V246 HydrophobicContact CZ-CG2 4.23Å; I242-V246 HydrophobicContact CG2-CG2 4.41Å; I242-V246 VanDerWaalsContact O-CG2 3.23Å; I242-V246 WeakPolarHBondContact O-CG2 3.5Å; I242-V246 PolarHBondContact O-N 3.08Å; F243-V246 PolarHBondContact O-N 3.32Å; V246-A249 PolarHBondContact O-N 3.22Å; V246-I250 HydrophobicContact CG1-CD1 3.73Å; V246-I250 WeakPolarHBondContact O-CB 3.43Å; V246-I250 VanDerWaalsContact O-CG1 3.25Å; V246-I250 WeakPolarHBondContact O-CG1 3.45Å; V246-I250 PolarHBondContact O-N 3.07Å
247D94.8Very high91.9Very high40 Ų4061 Ų6121%0.21432%0.319CS..Hα-helixtrans-68.5-46-177.8-161.471.5000111.4Y210 F243 A249 I250 Q251Y210-D247 HydrophobicContact CE2-CB 4.09Å; Y210-D247 WeakPolarHBondContact CE2-OD1 3.32Å; Y210-D247 PolarHBondContact OH-OD1 2.83Å; F243-D247 HydrophobicContact CD1-CB 4.22Å; F243-D247 HydrophobicContact CE1-CB 4.06Å; F243-D247 VanDerWaalsContact O-CB 3.3Å; F243-D247 WeakPolarHBondContact O-CB 3.48Å; F243-D247 PolarHBondContact O-N 3.18Å; D247-A249 VanDerWaalsContact C-N 3.32Å; D247-A249 PolarHBondContact O-N 3.07Å; D247-I250 PolarHBondContact O-N 2.94Å; D247-Q251 WeakPolarHBondContact O-CG 3.37Å; D247-Q251 PolarHBondContact O-N 2.92Å; D247-Q251 PolarHBondContact OD2-NE2 3.49Å
248L93.6Very high91.1Very high99 Ų9957.7 Ų57.752%0.51831%0.306SS..Hα-helixtrans-60.1-40173.9-71.7172.2000112.3T244 Q251 S252T244-L248 HydrophobicContact CG2-CD1 3.92Å; T244-L248 HydrophobicContact CG2-CG 4.46Å; T244-L248 WeakPolarHBondContact O-CB 3.49Å; T244-L248 VanDerWaalsContact O-CG 3.22Å; T244-L248 WeakPolarHBondContact O-CG 3.37Å; T244-L248 PolarHBondContact O-N 3.11Å; L248-Q251 PolarHBondContact O-N 2.89Å; L248-S252 VanDerWaalsContact O-CB 3.31Å; L248-S252 WeakPolarHBondContact O-CB 3.2Å; L248-S252 PolarHBondContact O-N 2.86Å
249A92.9Very high90.1Very high15 Ų1560.6 Ų60.612%0.12432%0.32CS..Hα-helixtrans-65.1-41.5175.300000112Y204 L245 V246 D247 S252 Q253Y204-A249 HydrophobicContact CD2-CB 4.18Å; Y204-A249 HydrophobicContact CE2-CB 3.57Å; L245-A249 VanDerWaalsContact O-CB 3.26Å; L245-A249 WeakPolarHBondContact O-CB 3.25Å; L245-A249 PolarHBondContact O-N 3.38Å; V246-A249 PolarHBondContact O-N 3.22Å; D247-A249 VanDerWaalsContact C-N 3.32Å; D247-A249 PolarHBondContact O-N 3.07Å; A249-S252 PolarHBondContact O-N 2.99Å; A249-Q253 WeakPolarHBondContact O-CG 3.26Å; A249-Q253 PolarHBondContact O-N 2.92Å
250I93.6Very high88.7Confident16 Ų1669.6 Ų69.68%0.08235%0.354CS..Hα-helixtrans-65.2-42.7175.6-74.1168.7000111.8Y204 Y210 V246 D247 Q253 K254Y204-I250 HydrophobicContact CD1-CD1 4.32Å; Y204-I250 HydrophobicContact CD1-CG1 4.44Å; Y204-I250 HydrophobicContact CD2-CG1 4Å; Y204-I250 HydrophobicContact CG-CD1 4.11Å; Y204-I250 HydrophobicContact CG-CG1 3.78Å; Y210-I250 HydrophobicContact CD1-CD1 4.08Å; Y210-I250 HydrophobicContact CE1-CD1 3.4Å; Y210-I250 VanDerWaalsContact CE1-CD1 3.4Å; Y210-I250 HydrophobicContact CE2-CD1 4.46Å; V246-I250 HydrophobicContact CG1-CD1 3.73Å; V246-I250 WeakPolarHBondContact O-CB 3.43Å; V246-I250 VanDerWaalsContact O-CG1 3.25Å; V246-I250 WeakPolarHBondContact O-CG1 3.45Å; V246-I250 PolarHBondContact O-N 3.07Å; D247-I250 PolarHBondContact O-N 2.94Å; I250-Q253 PolarHBondContact O-N 2.95Å; I250-K254 HydrophobicContact CG2-CD 4.3Å; I250-K254 WeakPolarHBondContact O-CG 3.33Å; I250-K254 PolarHBondContact O-N 3.38Å; I250-K254 VanDerWaalsContact O-N 3.11Å
251Q93.1Very high87Confident106 Ų10672.9 Ų72.950%0.49537%0.366SS..Hα-helixtrans-62.2-45.6174.7-70.1-175.136.800111.1D247 L248 Q253 K254 A255D247-Q251 WeakPolarHBondContact O-CG 3.37Å; D247-Q251 PolarHBondContact O-N 2.92Å; D247-Q251 PolarHBondContact OD2-NE2 3.49Å; L248-Q251 PolarHBondContact O-N 2.89Å; Q251-Q253 PolarHBondContact O-N 3.48Å; Q251-K254 PolarHBondContact O-N 3.11Å; Q251-A255 PolarHBondContact O-N 3.41Å
252S90.3Very high85.4Confident60 Ų6076.3 Ų76.342%0.4239%0.386SS..Hα-helixtrans-61.5-41.3177.8-170.60000112.7L248 A249 A255 Q256L248-S252 VanDerWaalsContact O-CB 3.31Å; L248-S252 WeakPolarHBondContact O-CB 3.2Å; L248-S252 PolarHBondContact O-N 2.86Å; A249-S252 PolarHBondContact O-N 2.99Å; S252-A255 PolarHBondContact O-N 3.33Å; S252-Q256 PolarHBondContact O-N 3.11Å
253Q89.5Confident83.1Confident23 Ų2380.2 Ų80.211%0.10741%0.414CS..Hα-helixtrans-62.3-40.9173.8-76.9-17831.200113.3N185 E186 K205 A249 I250 Q251 A257N185-Q253 PolarHBondContact O-NE2 2.85Å; E186-Q253 WeakPolarHBondContact OE1-CG 3.4Å; E186-Q253 PolarHBondContact OE1-NE2 2.78Å; K205-Q253 VanDerWaalsContact NZ-CD 3.3Å; A249-Q253 WeakPolarHBondContact O-CG 3.26Å; A249-Q253 PolarHBondContact O-N 2.92Å; I250-Q253 PolarHBondContact O-N 2.95Å; Q251-Q253 PolarHBondContact O-N 3.48Å; Q253-A257 WeakPolarHBondContact O-CB 3.34Å; Q253-A257 PolarHBondContact O-N 3.2Å
254K88.6Confident80.3Confident115 Ų11580.1 Ų80.150%0.543%0.425SS..Hα-helixtrans-63.2-49.4177.8-73.6166.6179.6174.10110.7I250 Q251 Q256 A257 E258I250-K254 HydrophobicContact CG2-CD 4.3Å; I250-K254 WeakPolarHBondContact O-CG 3.33Å; I250-K254 PolarHBondContact O-N 3.38Å; I250-K254 VanDerWaalsContact O-N 3.11Å; Q251-K254 PolarHBondContact O-N 3.11Å; K254-Q256 VanDerWaalsContact C-N 3.35Å; K254-Q256 PolarHBondContact O-N 3.04Å; K254-A257 WeakPolarHBondContact O-CB 3.38Å; K254-A257 PolarHBondContact O-N 2.91Å; K254-E258 WeakPolarHBondContact O-CG 3.43Å; K254-E258 PolarHBondContact O-N 3.12Å
255A88.1Confident78Confident58 Ų5883.1 Ų83.148%0.47945%0.445SS..Hα-helixtrans-57.2-44.9177.400000112.4Q251 S252 E258 E259Q251-A255 PolarHBondContact O-N 3.41Å; S252-A255 PolarHBondContact O-N 3.33Å; A255-E258 PolarHBondContact O-N 2.97Å; A255-E259 WeakPolarHBondContact O-CB 3.38Å; A255-E259 PolarHBondContact O-N 3.11Å
256Q84Confident75.5Confident111 Ų11188.7 Ų88.752%0.51947%0.47SS..Hα-helixtrans-68.8-31.6175.7-71.2-168.711.800113.3S252 K254 R260S252-Q256 PolarHBondContact O-N 3.11Å; K254-Q256 VanDerWaalsContact C-N 3.35Å; K254-Q256 PolarHBondContact O-N 3.04Å; Q256-R260 WeakPolarHBondContact O-CB 3.44Å; Q256-R260 WeakPolarHBondContact O-CG 3.41Å; Q256-R260 PolarHBondContact O-N 2.94Å; Q256-R260 VanDerWaalsContact O-N 3.07Å
257A82.3Confident72.9Confident43 Ų4393.4 Ų93.436%0.35550%0.503SS..Hα-helixtrans-68.5-41.8173.500000111.4Q253 K254 R260 H261Q253-A257 WeakPolarHBondContact O-CB 3.34Å; Q253-A257 PolarHBondContact O-N 3.2Å; K254-A257 WeakPolarHBondContact O-CB 3.38Å; K254-A257 PolarHBondContact O-N 2.91Å; A257-R260 CarbonylContact O-C 3.56Å; A257-R260 WeakPolarHBondContact O-CB 3.4Å; A257-R260 PolarHBondContact O-N 2.83Å; A257-H261 PolarHBondContact O-CD2 2.74Å; A257-H261 PolarHBondContact O-N 2.91Å
258E77.6Confident70.3Confident120 Ų12098.2 Ų98.256%0.56153%0.528SS*.Hα-helixtrans-65.1-42.9176.7-72.4165.3-157.500111.4K254 A255 R260 H261 L262K254-E258 WeakPolarHBondContact O-CG 3.43Å; K254-E258 PolarHBondContact O-N 3.12Å; A255-E258 PolarHBondContact O-N 2.97Å; E258-R260 VanDerWaalsContact C-N 3.31Å; E258-R260 PolarHBondContact O-N 2.56Å; E258-H261 PolarHBondContact O-N 3.49Å; E258-H261 VanDerWaalsContact O-N 3.11Å; E258-L262 WeakPolarHBondContact O-CG 3.19Å; E258-L262 PolarHBondContact O-N 2.85Å
259E71.2Confident67.6Low133 Ų13399.7 Ų99.762%0.62154%0.536SS*.Hα-helixtrans-57.3-42.5170.6-171.6-173.3-17800111.8A255 H261 L262 S263A255-E259 WeakPolarHBondContact O-CB 3.38Å; A255-E259 PolarHBondContact O-N 3.11Å; E259-H261 VanDerWaalsContact C-N 3.35Å; E259-H261 PolarHBondContact O-N 3.25Å; E259-L262 PolarHBondContact O-N 2.81Å; E259-S263 WeakPolarHBondContact O-CB 3.49Å; E259-S263 PolarHBondContact O-N 3.18Å; E259-S263 PolarHBondContact O-OG 2.94Å
260R65.6Low65.7Low189 Ų189104.5 Ų104.571%0.71357%0.566SS**Hα-helixtrans-66.4-32.4175.3-68-87.1-172.4125.99.4113Q256 A257 E258 S263 G264Q256-R260 WeakPolarHBondContact O-CB 3.44Å; Q256-R260 WeakPolarHBondContact O-CG 3.41Å; Q256-R260 PolarHBondContact O-N 2.94Å; Q256-R260 VanDerWaalsContact O-N 3.07Å; A257-R260 CarbonylContact O-C 3.56Å; A257-R260 WeakPolarHBondContact O-CB 3.4Å; A257-R260 PolarHBondContact O-N 2.83Å; E258-R260 VanDerWaalsContact C-N 3.31Å; E258-R260 PolarHBondContact O-N 2.56Å; R260-S263 WeakPolarHBondContact CA-OG 3.4Å; R260-G264 PolarHBondContact O-N 2.85Å; R260-G264 VanDerWaalsContact O-N 3.08Å
261H59.3Low63.3Low158 Ų158110.7 Ų110.773%0.73160%0.6SS**Hα-helixtrans-75-31.6175.1-73.7-57.3000112.3A257 E258 E259A257-H261 PolarHBondContact O-CD2 2.74Å; A257-H261 PolarHBondContact O-N 2.91Å; E258-H261 PolarHBondContact O-N 3.49Å; E258-H261 VanDerWaalsContact O-N 3.11Å; E259-H261 VanDerWaalsContact C-N 3.35Å; E259-H261 PolarHBondContact O-N 3.25Å
262L57Low60.3Low159 Ų159111.4 Ų111.483%0.83262%0.615SS**Hα-helixtrans-79.2-15.5173.4-66.4170.3000113.7E258 E259E258-L262 WeakPolarHBondContact O-CG 3.19Å; E258-L262 PolarHBondContact O-N 2.85Å; E259-L262 PolarHBondContact O-N 2.81Å
263S46.8Very low57.8Low82 Ų82114.2 Ų114.257%0.57363%0.632SS**SBendtrans-112.89177.7570000114.4E259 R260E259-S263 WeakPolarHBondContact O-CB 3.49Å; E259-S263 PolarHBondContact O-N 3.18Å; E259-S263 PolarHBondContact O-OG 2.94Å; R260-S263 WeakPolarHBondContact CA-OG 3.4Å
264G37.4Very low55.7Low41 Ų41121.4 Ų121.442%0.42367%0.67SS.*SBendtrans-67.6143.316800000111.2R260 Q266R260-G264 PolarHBondContact O-N 2.85Å; R260-G264 VanDerWaalsContact O-N 3.08Å; G264-Q266 PolarHBondContact O-N 3.28Å
265P45.3Very low53.7Low122 Ų122120.8 Ų120.879%0.79268%0.68SS**  trans-68.3122.4-168.626.1-34.3000112.3S267P265-S267 PolarHBondContact O-N 3.27Å
266Q41.3Very low51.6Low173 Ų173125.1 Ų125.181%0.80869%0.694SS**  trans-70.466.3160.1-171.5176.543.900109.6G264 L268G264-Q266 PolarHBondContact O-N 3.28Å; Q266-L268 HydrophobicContact CG-CD1 4.26Å; Q266-L268 HydrophobicContact CG-CG 4.08Å; Q266-L268 PolarHBondContact O-N 3.38Å
267S38.5Very low49.7Very low99 Ų99128.8 Ų128.869%0.69271%0.711SS**  trans-75.178171.5-168.50000108.8P265 D269P265-S267 PolarHBondContact O-N 3.27Å; S267-D269 PolarHBondContact O-N 3.05Å
268L41.3Very low47.6Very low140 Ų140137.3 Ų137.373%0.73374%0.736SS**  trans-66.790.6162.9-73.2167.6000107.8Q266 P270Q266-L268 HydrophobicContact CG-CD1 4.26Å; Q266-L268 HydrophobicContact CG-CG 4.08Å; Q266-L268 PolarHBondContact O-N 3.38Å; L268-P270 WeakPolarHBondContact O-CD 3.42Å
269D37.1Very low46.2Very low130 Ų130138.9 Ų138.970%0.69575%0.746SS**  trans-88.1107.2165.1-161.9-20.8000107.4S267 D271S267-D269 PolarHBondContact O-N 3.05Å; D269-D271 VanDerWaalsContact C-N 3.31Å; D269-D271 PolarHBondContact O-N 3.3Å
270P52.1Low44.4Very low116 Ų116144.1 Ų144.175%0.75376%0.761SS**  trans-91.529.1-162.138.1-36.6000114.1L268L268-P270 WeakPolarHBondContact O-CD 3.42Å
271D43Very low42.9Very low147 Ų147141.5 Ų141.579%0.78677%0.771SS**  trans-14385.8174.3-100.7-44.8000113.1D269D269-D271 VanDerWaalsContact C-N 3.31Å; D269-D271 PolarHBondContact O-N 3.3Å
272C30.8Very low41.4Very low121 Ų121137.6 Ų137.682%0.81877%0.774SS**  trans-145.1128.7161.5-94.90000110.3
273P36.7Very low40.5Very low119 Ų119136.8 Ų136.877%0.77378%0.775SS**  trans-73.1151.3-168.227.2-34.6000114.7S275P273-S275 PolarHBondContact O-N 3.01Å; P273-S275 VanDerWaalsContact O-N 3.12Å
274L45.5Very low40.1Very low174 Ų174138.9 Ų138.991%0.91179%0.787SS**SBendtrans-78.286.8-167.4-174.775000113.5
275S48Very low39.8Very low101 Ų101140 Ų14071%0.70680%0.799SS**  trans-153.439.4-179.857.50000118.8P273P273-S275 PolarHBondContact O-N 3.01Å; P273-S275 VanDerWaalsContact O-N 3.12Å
276L43.8Very low39.1Very low149 Ų149140.9 Ų140.978%0.7881%0.806SS**  trans-154.812.1159-119.2173.9000118.4Y278L276-Y278 PolarHBondContact O-N 2.95Å
277Q42.5Very low38.4Very low188 Ų188135.7 Ų135.788%0.87980%0.799SS**  trans-89.463.9178.2-70.7-131.246.700113.2
278Y39.8Very low38.2Very low223 Ų223140 Ų14088%0.87581%0.811SS**  trans-150.332172.2-124.7-77.3000117L276L276-Y278 PolarHBondContact O-N 2.95Å
279I46.5Very low37.6Very low152 Ų152138 Ų13878%0.77981%0.814SS**SBendtrans-131.262.3170-43-179.4000112.3
280R33.6Very low37.4Very low244 Ų244136.9 Ų136.992%0.92182%0.823SS**SBendtrans-169.985.5152.6-117177.9178.6-168.5-1.1114.6
281S34.6Very low36.3Very low134 Ų134135 Ų13594%0.93782%0.824SS**  trans-179.7128.7145.3-83.40000108.7
282G28.7Very low35.8Very low76 Ų76134.1 Ų134.178%0.78483%0.83SS**  trans-172.478.9-172.700000114.5
283V36.7Very low35.7Very low141 Ų141131.5 Ų131.586%0.85582%0.824SS**  trans-139.4110.1160.5177.50000106.2
284P40Very low35.3Very low126 Ų126132.9 Ų132.982%0.81882%0.824SS**  -127.2177.4105.57.115.1000111.1
285G29.9Very low34.7Very low66 Ų66128.8 Ų128.868%0.6881%0.811SS**  cis127.3830.500000113.4
286C30.6Very low34.1Very low139 Ų139129.5 Ų129.594%0.93982%0.815SS**  trans62.9135170.2-1650000118.1
287G27.8Very low33.6Very low65 Ų65126.9 Ų126.967%0.6781%0.81SS**  trans157.164.8161.300000121
288M32.5Very low33Very low190 Ų190123.6 Ų123.694%0.93681%0.806SS**  trans56.7175149-62.8-58.9166.500120.7
289A30.1Very low32.7Very low96 Ų96118.3 Ų118.379%0.79380%0.801SS**  trans-128.4178.4-158.700000114.5
290A31.5Very low32Very low107 Ų107115.5 Ų115.588%0.88480%0.796SS**  trans92.4152.3160.300000119
291G30.4Very low32.3Very low76 Ų76114.3 Ų114.378%0.78479%0.791SS**  trans89.9107.7-176.800000112.7
292S31.9Very low32.3Very low129 Ų129116.2 Ų116.290%0.90279%0.785SS**  cis91.893.327-166.50000115.3
293G28.5Very low33Very low67 Ų67117.4 Ų117.469%0.69179%0.788SS**  trans81.6165158.300000118
294D27.9Very low33.1Very low147 Ų147118.9 Ų118.979%0.78679%0.791SS**  cis-168172.6-23.558.8-81.9000112.1
295S33.1Very low33Very low89 Ų89116.6 Ų116.662%0.62279%0.79SS**  trans6488.7151.3-56.30000123.1
296S35.7Very low33.2Very low115 Ų115120.4 Ų120.480%0.80480%0.795SS**  trans73.9169.9132.891.80000118.5
297S34.3Very low34Very low95 Ų95118.9 Ų118.966%0.66479%0.785SS**  cis-150.51596.4-85.80000111.2
298C28.9Very low34.5Very low119 Ų119119.7 Ų119.780%0.80479%0.794SS**  trans43.9142.615367.10000120.8
299S32.6Very low34.7Very low111 Ų111114.4 Ų114.478%0.77679%0.788SS**  cis-171.7-164.5-3.551.50000106.4
300S31.8Very low35.3Very low94 Ų94115.6 Ų115.666%0.65779%0.791SS**  cis-166.1161.36.1-149.90000110.4
301R40.5Very low36Very low218 Ų218120 Ų12082%0.82379%0.79SS**  trans63.7149.9166.1-66.1179.8171.3-156.1-8.3118.6
302E34.7Very low37.4Very low175 Ų175122.2 Ų122.282%0.81879%0.791SS**  cis162.8119.5-27.9-105.7165.8-164.200106.3
303A43.3Very low37.5Very low101 Ų101119.6 Ų119.684%0.83578%0.784SS**  trans-167.4127.1162.300000110.3
304D39.7Very low38Very low172 Ų172122 Ų12292%0.9279%0.79SS**  trans-71.9168.1173.7-46.5-99000111.7
305G36.5Very low38.5Very low77 Ų77119.5 Ų119.579%0.79479%0.79SS**  cis-165.9-1640.500000107.2
306D35.8Very low38.7Very low147 Ų147122.5 Ų122.579%0.78680%0.799SS**  cis-159.2163.61.6169.449.4000108.5
307S47.3Very low38.8Very low106 Ų106120 Ų12074%0.74179%0.791SS**  trans53.8130.4163-70.90000120
308G38.3Very low38.9Very low82 Ų82121.2 Ų121.285%0.84579%0.794SS**  cis162.5163.1-2.300000111.8
309G35.8Very low39.4Very low80 Ų80123.8 Ų123.883%0.82580%0.799SS**  trans119.190.9167.800000117
310S42.3Very low39.7Very low120 Ų120121.9 Ų121.984%0.83980%0.797SS**  trans-81.9171.7153.5-55.80000109.5
311K47Very low39.9Very low200 Ų200126.2 Ų126.287%0.8780%0.804SS**  cis-159.6171.735.2-120.7-161.6177.41790111.9
312P59.6Low39.8Very low123 Ų123125 Ų12580%0.79980%0.799SS**  trans-113.4-178-17842.8-33.7000114.9
313G33.1Very low39.8Very low74 Ų74123.3 Ų123.376%0.76379%0.792SS**  trans108.4168.3162.400000115.2
314S40.3Very low39.6Very low117 Ų117121.8 Ų121.882%0.81879%0.786SS**  cis-172.2166.5-15.1-163.80000109.4
315A38.6Very low39.4Very low94 Ų94116.8 Ų116.878%0.77778%0.775SS**  trans63.6170.4162.500000117.6
316D36.9Very low39.5Very low152 Ų152121.6 Ų121.681%0.81378%0.782SS**  cis-165.8-176.6-41.9-163.5-92.6000107.3
317G37.3Very low39.5Very low63 Ų63118.1 Ų118.165%0.64978%0.782SS**  trans104.8113.4175.900000113.7
318V36.5Very low39Very low120 Ų120120.3 Ų120.373%0.72779%0.79SS**  cis88.1141.325.4-1700000114.3
319L40.7Very low38.8Very low173 Ų173119.5 Ų119.591%0.90678%0.782SS**  trans80.5135.8-175.7-46.8178.1000115.8
320G37.5Very low38.9Very low71 Ų71128.2 Ų128.273%0.73279%0.79SS**  cis159.6153.3-17.700000116.2
321K37.1Very low38.4Very low186 Ų186126.2 Ų126.281%0.80979%0.788SS**  trans76.5106.3144.6-160.9173.1-179.2-177.90120.6
322R38Very low38Very low191 Ų191126.4 Ų126.472%0.72179%0.792SS**  73.3151.8121.1-139.8-171.5175.9-136.5-7.2117.5
323E35.2Very low36.7Very low141 Ų141124.4 Ų124.466%0.65979%0.794SS**  cis-150.5175.15-151.2136.2-135.700108
324G37.3Very low36.7Very low69 Ų69124.4 Ų124.471%0.71179%0.794SS**  cis145.4164.4-9.600000113.1
325G36.5Very low36.6Very low67 Ų67127.2 Ų127.269%0.69179%0.794SS**  trans85.4144.6-177.800000114.6
326D39.4Very low36.4Very low177 Ų177132.5 Ų132.595%0.94780%0.799SS**  cis-150.1151-9.1-84.2-48.3000109.6
327G35.8Very low36.3Very low75 Ų75128.9 Ų128.977%0.77380%0.798SS**  trans-179.9169.5-179.400000118
328V36.6Very low36.3Very low152 Ų152138.1 Ų138.192%0.92181%0.814SS**  trans-145.4145-177-176.50000108.6
329G33.9Very low36.3Very low65 Ų65138 Ų13867%0.6782%0.818SS**  cis148.1178.5-400000112.7
330R37.3Very low36Very low262 Ų262137.9 Ų137.999%0.98982%0.817SS**  trans68.8131.8-170.8-60.1-173.9172.6-139.1-1115.8
331G32.8Very low36.4Very low79 Ų79140.5 Ų140.581%0.81482%0.822SS**  trans134.3109.5163.800000114.7
332Q37.3Very low36.1Very low203 Ų203140.3 Ų140.395%0.94982%0.823SS**  trans-74.5156.1159.2-58.8164.49.400108.1
333G33.6Very low36.6Very low82 Ų82137 Ų13785%0.84583%0.827SS**  cis154.1120.1000000109
334G32.8Very low36.9Very low73 Ų73136.2 Ų136.275%0.75383%0.834SS**  trans173.6147.9-175.600000112.3
335H36.9Very low36.8Very low177 Ų177137.5 Ų137.582%0.81984%0.838SS**  trans-105.7152.2-164.6-64.5-63.6000115
336K34.2Very low37.2Very low204 Ų204140.5 Ų140.589%0.88785%0.845SS**  trans33.2134.1140.3-57.9174.2-178.1179.60118.5
337G35.9Very low37Very low77 Ų77144.1 Ų144.179%0.79485%0.846SS**  cis-176.7-176.16.800000111.3
338R36.1Very low36.9Very low257 Ų257144.4 Ų144.497%0.9785%0.849SS**  trans-117.3128-173.1-68.9-179.4174.5-177.3-2.6113.2
339S36.6Very low36.8Very low117 Ų117145.9 Ų145.982%0.81885%0.85SS**  trans-160.7149.6158.646.40000109.2
340L35.6Very low36.7Very low171 Ų171147.7 Ų147.790%0.89586%0.859SS**PPolyproline II helixtrans-77151.4-172.2-74.876.5000113
341P45.2Very low36.4Very low126 Ų126138.8 Ų138.882%0.81885%0.849SS**PPolyproline II helixtrans-95.3155.3163.537-32000113
342E31.8Very low36.3Very low181 Ų181145.3 Ų145.385%0.84686%0.855SS**PPolyproline II helixtrans-100.4146173-169.8176.7134.900110.4P344E342-P344 WeakPolarHBondContact O-CD 3.41Å
343P47.1Very low36Very low123 Ų123138.8 Ų138.880%0.79984%0.842SS**PPolyproline II helixtrans-91.9125.9-169.133.3-34000115
344P41.6Very low35.9Very low123 Ų123142.2 Ų142.280%0.79985%0.846SS**PPolyproline II helixtrans-89.1161.4166.635.4-33.7000113E342E342-P344 WeakPolarHBondContact O-CD 3.41Å
345A35.7Very low35.9Very low96 Ų96142.9 Ų142.979%0.79385%0.845SS**PPolyproline II helixtrans-78149.6-17500000114.4
346P45.7Very low36.5Very low131 Ų131140.1 Ų140.185%0.85184%0.842SS**PPolyproline II helixtrans-83.6146.5179.233.7-35000113
347R35.6Very low36.2Very low253 Ų253137.8 Ų137.896%0.95584%0.839SS**  trans-143.2108.3168.6-155.2-179.5-172.4-159.30.4112.3
348G32Very low35.9Very low81 Ų81140.4 Ų140.484%0.83583%0.834SS**  trans83.9139.2158.200000118
349L34.3Very low35.7Very low183 Ų183135 Ų13596%0.95882%0.821SS**  trans-143.8143.3151.5-112.2170.6000107.7
350A32.8Very low35.4Very low102 Ų102136.5 Ų136.584%0.84381%0.814SS**  trans-109.3153.3-169.500000112.8
351G30.9Very low35.2Very low76 Ų76133.9 Ų133.978%0.78481%0.806SS**  trans-150.671.7-173.300000115
352K31.8Very low34.8Very low215 Ų215133.1 Ų133.194%0.93580%0.804SS**  trans22131.4155.3-62175.5177177.50120.1
353G29.8Very low34.9Very low67 Ų67133.1 Ų133.169%0.69181%0.808SS**  147.8105.6127.100000119.4
354V32.6Very low34.5Very low154 Ų154137.2 Ų137.293%0.93381%0.809SS**  trans61.8141.7140.2-170.50000119.8
355A31.1Very low34.3Very low87 Ų87136 Ų13672%0.71980%0.803SS**  trans-134.4-179.617100000107.8
356P49.8Very low34.4Very low118 Ų118139.5 Ų139.577%0.76680%0.803SS**  cis-137.8-1526.842.1-20.8000113.4
357L28.4Very low34.2Very low156 Ų156140 Ų14082%0.81781%0.807SS**  trans77.4140.6157.7-150.674.9000116.3
358D29.7Very low34.4Very low131 Ų131132.2 Ų132.270%0.70180%0.797SS**  cis-161.7173.9-36.5-144.9-40.3000108.9
359E31.2Very low34.7Very low145 Ų145134.3 Ų134.368%0.67879%0.788SS**  trans58.5141.7153.1-95.5-16599.500124.2
360Q32Very low34.6Very low147 Ų147131.1 Ų131.169%0.68778%0.781SS**  trans86.7125.6144.7-74.2175.72800123.6
361T29.5Very low34.8Very low117 Ų117132.7 Ų132.772%0.71878%0.78SS**  trans68.1100.9144.852.30000121.1
362S36.7Very low35.1Very low110 Ų110138.3 Ų138.377%0.76978%0.778SS**  38.5111.9113-49.30000119.5
363L34Very low35.2Very low180 Ų180135 Ų13594%0.94277%0.77SS**  -166.6164.4109.6-103.3161.5000112.9
364Y39.1Very low35.1Very low210 Ų210138.8 Ų138.882%0.82477%0.773SS**  trans-95.5131.7-171.2180-82.7000110.7
365S37.7Very low35.5Very low96 Ų96136.7 Ų136.767%0.67176%0.76SS**  trans-179.9135.2143.6-990000115.1
366E37.2Very low36.1Very low170 Ų170138.3 Ų138.379%0.79476%0.764SS**  trans47.6135.3144.7-57.3-169.3102.500123.6A368E366-A368 PolarHBondContact O-N 2.91Å
367P42.9Very low35.3Very low142 Ų142139.2 Ų139.292%0.92276%0.761SS**  trans-88.894172.135.5-31.8000112.3
368A39.3Very low35.4Very low90 Ų90136.4 Ų136.474%0.74475%0.753SS**  trans-126.4156.3173.900000112.7E366E366-A368 PolarHBondContact O-N 2.91Å
369D37.3Very low35.5Very low124 Ų124137.9 Ų137.966%0.66376%0.761SS**  trans55.774.3172.7-89.1-40.5000118.7
370S33Very low35.5Very low116 Ų116134.6 Ų134.681%0.81177%0.766SS**  -158.5129.1117.9-790000108
371V37.1Very low35.6Very low135 Ų135135.7 Ų135.782%0.81878%0.775SS**  cis-138.3146.532.1176.20000111.9
372R37.7Very low35.5Very low195 Ų195140 Ų14074%0.73678%0.78SS**  trans-106.1137.8162.1-53.6168.380.9167.45.1105.7
373L33Very low35.2Very low145 Ų145139.1 Ų139.176%0.75977%0.773SS**  -166168.955.4-68.7164.8000107.3
374L27.6Very low35.7Very low147 Ų147136.7 Ų136.777%0.7776%0.762SS**  cis-151.3146.8-2.2-129.9162000109.6
375V41.7Very low36Very low109 Ų109132 Ų13266%0.66176%0.757SS**  trans-105.1139.5179.3156.90000109.3I377V375-I377 HydrophobicContact CG1-CG1 3.89Å
376P43.9Very low35.7Very low121 Ų121132.3 Ų132.379%0.78675%0.754SS**  -151.3153109.734.1-15.1000116
377I32.1Very low35.6Very low138 Ų138131 Ų13171%0.70875%0.753SS**  cis-163.6155.8-21.7-130.2158000109.5V375V375-I377 HydrophobicContact CG1-CG1 3.89Å
378C30.1Very low35.3Very low96 Ų96129 Ų12965%0.64974%0.738SS**  trans18.1130.7161.2-59.30000121.6
379D33.2Very low35.2Very low163 Ų163131.6 Ų131.687%0.87274%0.738SS**  68.9137.361.2-64-57.6000114.4
380G31.6Very low34.9Very low75 Ų75135.6 Ų135.677%0.77375%0.75SS**  trans168.724.6177.700000122.1
381L32.3Very low34.8Very low170 Ų170133.7 Ų133.789%0.8975%0.748SS**  trans35119.3155.3-65.3171.6000122.1
382Y28.3Very low34.6Very low209 Ų209134.9 Ų134.982%0.8275%0.745SS**  82.497.2125.6-156-97000122.3
383S30.1Very low34.2Very low90 Ų90132.1 Ų132.163%0.62974%0.744SS**  trans90.5134.8132.1-58.30000123.3
384D43.8Very low34Very low130 Ų130133.1 Ų133.170%0.69575%0.745SS**  trans-70.6155.4171.7-177.239.5000112.3V386D384-V386 PolarHBondContact OD1-N 2.82Å
385P45.4Very low34.2Very low111 Ų111133.4 Ų133.472%0.72175%0.753SS**  -149.3122.196.735.2-15.3000118.1
386V32.4Very low33.6Very low102 Ų102133.5 Ų133.562%0.61876%0.759SS**  79142.5122.5176.10000121.5D384D384-V386 PolarHBondContact OD1-N 2.82Å
387D35Very low33.5Very low143 Ų143133 Ų13377%0.76576%0.756SS**  trans76.6146159.1-90.4-30.3000121.2
388T36.1Very low34.3Very low100 Ų100132.1 Ų132.161%0.61376%0.759SS**  cis-156.4141.2-8.2-139.70000116
389I36.8Very low34.3Very low144 Ų144136 Ų13674%0.73877%0.769SS**  trans30.4125.1147.9-41.6152.9000123.6
390K32.2Very low34.6Very low209 Ų209134 Ų13491%0.90977%0.765SS**  158.5135.4125.8-87.4173.9-171.7172.50109.5
391G30.9Very low34.8Very low75 Ų75136.8 Ų136.877%0.77377%0.767SS**  cis171.5-173.31.600000108.7
392Q31.8Very low35Very low161 Ų161134 Ų13475%0.75276%0.76SS**  cis177.2114.5-16.7164.8-123.4-107.800109.4
393N29Very low35.1Very low137 Ų137135 Ų13573%0.73376%0.762SS**  trans-162.3105.1154.3-110.9-17.7000118
394Q30.7Very low35.3Very low165 Ų165138.5 Ų138.577%0.77177%0.773SS**  trans19.4125140.1-56.2176.586.500123
395T30.1Very low34.6Very low153 Ų153143.5 Ų143.594%0.93978%0.782SS**  -163.2158.2118.26.60000111.8
396S29.3Very low34.5Very low111 Ų111144.4 Ų144.478%0.77679%0.788SS**  trans-157.2-178.4-177.672.50000108.7
397P43.2Very low34.6Very low112 Ų112146.8 Ų146.873%0.72780%0.802SS**  cis-134.9-145.416.245.5-24.4000111.3
398P48.2Very low34.4Very low118 Ų118143 Ų14377%0.76680%0.797SS**  cis-132174.7-15.839.7-22000116.6
399M29.8Very low34.2Very low178 Ų178145.6 Ų145.688%0.87781%0.807SS**  trans-145.6146.4165.5-106.6-81.9-161.500109.2
400P39.6Very low34.1Very low121 Ų121145.8 Ų145.879%0.78681%0.81SS**  trans-88.5158.2-175.534.4-34.8000114.8
401T35.3Very low34.1Very low133 Ų133140.8 Ų140.882%0.81680%0.801SS**  trans-104.2173-178.3580000113.3
402P36.8Very low34.1Very low113 Ų113143.6 Ų143.673%0.73481%0.808SS**  -143.9134.2128.434.9-19.9000116.9
403R31.1Very low34Very low228 Ų228140.1 Ų140.186%0.8682%0.815SS**  trans42.5109.3142-60.3-179.1176117.60.4119.3
404L33.7Very low34Very low164 Ų164137.5 Ų137.586%0.85982%0.82SS**  80.1129.168.8-75.3174.2000116.8
405R29.8Very low34Very low236 Ų236138 Ų13889%0.89182%0.822SS**  trans-140.7161153.3-85-167.6177.1169.91109.7
406P43.1Very low34Very low130 Ų130137.9 Ų137.984%0.84481%0.811SS**  trans-83.9169.7-158.7-1432000116.5
407V35Very low34.1Very low152 Ų152140.1 Ų140.192%0.92181%0.809SS**  trans-116.5153179.3170.30000110.2
408G30.5Very low33.4Very low64 Ų64142 Ų14266%0.6681%0.808SS**  trans169.2142165.200000110.4
409D31.9Very low32.5Very low154 Ų154143 Ų14382%0.82481%0.812SS**  cis-158.5172.5-11.5-144-21.8000111.3
410D34Very low32.6Very low147 Ų147138 Ų13879%0.78681%0.807SS**  trans70164.3160.3-103-51000121.7
411S31.8Very low32Very low105 Ų105138.4 Ų138.473%0.73481%0.812SS**  trans-144.3161.7-169.1-66.80000112.4
412C32.3Very low32.1Very low134 Ų134139.7 Ų139.791%0.90581%0.814SS**  trans159.9135.1133.4-89.30000115
413G28.5Very low31.8Very low87 Ų87143.1 Ų143.190%0.89782%0.82SS**  trans90.3133.9139.800000119.7
414G29.3Very low32Very low83 Ų83142 Ų14286%0.85682%0.821SS**  trans132.1120165.400000114.1
415E30.2Very low32.2Very low174 Ų174143.7 Ų143.781%0.81382%0.822SS**  trans-105175-177.7-73.4-163.862.600114.5
416H31.2Very low32.6Very low151 Ų151138.9 Ų138.970%0.69982%0.818SS**  trans80.588.3155.8-76.533.9000119.1
417H30.5Very low32.8Very low158 Ų158137.9 Ų137.973%0.73181%0.812SS**  70.2131.3116.1-91.6-98.2000123
418H28.6Very low34Very low152 Ų152136.3 Ų136.370%0.70480%0.798SS**  trans83.6107.5157.7-64.5-63.4000122
419T29.4Very low35.2Very low138 Ų138140.5 Ų140.585%0.84781%0.805SS**  trans61106137.757.20000119.8
420G31.2Very low36.1Very low75 Ų75140 Ų14077%0.77379%0.793SS**  trans169.142167.500000116.8N422G420-N422 VanDerWaalsContact C-N 3.32Å; G420-N422 PolarHBondContact O-N 3.24Å
421S28.6Very low37.5Very low129 Ų129135.1 Ų135.190%0.90277%0.77SS**  trans-72.579.4-175.4179.70000113.6
422N35.7Very low39.2Very low159 Ų159136.9 Ų136.985%0.8577%0.766SS**  trans-111.690.3170.2-131.9-29000108.9G420G420-N422 VanDerWaalsContact C-N 3.32Å; G420-N422 PolarHBondContact O-N 3.24Å
423Q31.7Very low41Very low186 Ų186135 Ų13587%0.86975%0.747SS**  trans-125.8131.4168.6-76.4-156.7-5.800111.7
424K35.3Very low43Very low203 Ų203139.1 Ų139.188%0.88374%0.736SS**PPolyproline II helixtrans-72.9136.8-176.5-61.1165-179.6173.50109.6
425K36.6Very low45.1Very low201 Ų201139.5 Ų139.587%0.87472%0.719SS**PPolyproline II helixtrans-66.7145.9156.3-71-173.9177.2-1780108.9
426V38.2Very low47.1Very low134 Ų134137 Ų13781%0.81271%0.707SS**PPolyproline II helixtrans-64.6139.8172179.40000108.6
427P48.8Very low49.2Very low109 Ų109135.1 Ų135.171%0.70870%0.701SS**PPolyproline II helixtrans-61138.6179.6-23.234.3000112.3L429P427-L429 PolarHBondContact O-N 2.99Å
428D59.3Low51.2Low119 Ų119130.4 Ų130.464%0.63669%0.69SS**PPolyproline II helixtrans-74.3123.7172.6-171.70.3000109.6Y430 S431D428-Y430 PolarHBondContact O-N 3.13Å; D428-S431 PolarHBondContact O-N 3.12Å
429L56.9Low53.4Low153 Ų153126.5 Ų126.580%0.80168%0.676SS**THydrogen-bonded Turntrans-67-11.4-163.6-165.363.7000113.5P427P427-L429 PolarHBondContact O-N 2.99Å
430Y50.1Low55.4Low144 Ų144124.6 Ų124.657%0.56566%0.661SS**THydrogen-bonded Turntrans-115.7-4.5-177.6-75.1-97.8000114.7D428 H432 L433 Y434D428-Y430 PolarHBondContact O-N 3.13Å; Y430-H432 VanDerWaalsContact C-N 3.32Å; Y430-H432 PolarHBondContact O-N 2.85Å; Y430-L433 HydrophobicContact CD1-CD1 3.61Å; Y430-L433 HydrophobicContact CE1-CD1 4.02Å; Y430-L433 HydrophobicContact CG-CD1 4.49Å; Y430-L433 WeakPolarHBondContact O-CB 3.29Å; Y430-L433 PolarHBondContact O-N 3.2Å; Y430-Y434 WeakPolarHBondContact O-CD2 3.11Å
431S63.1Low57.3Low44 Ų44126.4 Ų126.431%0.30865%0.652SS.*Hα-helixtrans-58.9-43.1-174.178.70000112.4D428 L433 Y434 D435D428-S431 PolarHBondContact O-N 3.12Å; S431-L433 PolarHBondContact O-N 3.04Å; S431-L433 VanDerWaalsContact O-N 3.13Å; S431-Y434 PolarHBondContact O-N 3.46Å; S431-D435 PolarHBondContact O-N 2.82Å
432H68.9Low59.1Low142 Ų142123.8 Ų123.866%0.65763%0.634SS**Hα-helixtrans-59.7-24.6178.2-66.9-46.9000114Y430 Q436Y430-H432 VanDerWaalsContact C-N 3.32Å; Y430-H432 PolarHBondContact O-N 2.85Å; H432-Q436 WeakPolarHBondContact O-CB 3.5Å; H432-Q436 PolarHBondContact O-N 3.04Å
433L68.7Low60.5Low95 Ų95122.3 Ų122.350%0.49762%0.622SS.*Hα-helixtrans-75.7-37.4175.2-69.8166.6000111.3Y430 S431 I437Y430-L433 HydrophobicContact CD1-CD1 3.61Å; Y430-L433 HydrophobicContact CE1-CD1 4.02Å; Y430-L433 HydrophobicContact CG-CD1 4.49Å; Y430-L433 WeakPolarHBondContact O-CB 3.29Å; Y430-L433 PolarHBondContact O-N 3.2Å; S431-L433 PolarHBondContact O-N 3.04Å; S431-L433 VanDerWaalsContact O-N 3.13Å; L433-I437 WeakPolarHBondContact O-CB 3.44Å; L433-I437 WeakPolarHBondContact O-CD1 3.45Å; L433-I437 WeakPolarHBondContact O-CG1 3.36Å; L433-I437 PolarHBondContact O-N 3.13Å
434Y71.4Confident61.7Low172 Ų172121 Ų12168%0.67561%0.613SS**Hα-helixtrans-67.8-42.3172.7-67.1-76000111.6Y430 S431 I437 A438Y430-Y434 WeakPolarHBondContact O-CD2 3.11Å; S431-Y434 PolarHBondContact O-N 3.46Å; Y434-I437 PolarHBondContact O-N 3.34Å; Y434-A438 WeakPolarHBondContact O-CB 3.44Å; Y434-A438 PolarHBondContact O-N 2.97Å
435D72.8Confident62.9Low91 Ų91116 Ų11649%0.48760%0.599SS.*Hα-helixtrans-60.7-47174.2-64.3-38.6000111.4S431 I437 A438 V439S431-D435 PolarHBondContact O-N 2.82Å; D435-I437 PolarHBondContact O-N 2.89Å; D435-A438 PolarHBondContact O-N 3.31Å; D435-V439 WeakPolarHBondContact O-CB 3.38Å; D435-V439 VanDerWaalsContact O-CG2 3.32Å; D435-V439 WeakPolarHBondContact O-CG2 3.19Å; D435-V439 PolarHBondContact O-N 3.09Å
436Q73.3Confident63.6Low123 Ų123109.1 Ų109.158%0.57559%0.586SS**Hα-helixtrans-58.7-46.7176.8-174.183.429.500111.3H432 V439 D440H432-Q436 WeakPolarHBondContact O-CB 3.5Å; H432-Q436 PolarHBondContact O-N 3.04Å; Q436-V439 PolarHBondContact O-N 3.13Å; Q436-D440 WeakPolarHBondContact O-CB 3.4Å; Q436-D440 PolarHBondContact O-N 3.37Å
437I74.4Confident64.1Low110 Ų110106.3 Ų106.356%0.56458%0.577SS**Hα-helixtrans-64.3-42.8178.7-70.9164.6000111L433 Y434 D435 V439 D440 L441L433-I437 WeakPolarHBondContact O-CB 3.44Å; L433-I437 WeakPolarHBondContact O-CD1 3.45Å; L433-I437 WeakPolarHBondContact O-CG1 3.36Å; L433-I437 PolarHBondContact O-N 3.13Å; Y434-I437 PolarHBondContact O-N 3.34Å; D435-I437 PolarHBondContact O-N 2.89Å; I437-V439 PolarHBondContact O-N 3.09Å; I437-D440 PolarHBondContact O-N 2.82Å; I437-L441 VanDerWaalsContact O-CB 3.26Å; I437-L441 WeakPolarHBondContact O-CB 3.43Å; I437-L441 PolarHBondContact O-N 2.96Å
438A72.4Confident64.1Low60 Ų60107.5 Ų107.550%0.49658%0.577SS.*Hα-helixtrans-63.7-40.6177.500000112Y434 D435 S442Y434-A438 WeakPolarHBondContact O-CB 3.44Å; Y434-A438 PolarHBondContact O-N 2.97Å; D435-A438 PolarHBondContact O-N 3.31Å; A438-S442 WeakPolarHBondContact O-CB 3.4Å; A438-S442 PolarHBondContact O-N 2.73Å
439V75.4Confident63.4Low70 Ų70107.3 Ų107.342%0.42459%0.585SS.*Hα-helixtrans-65.7-49.1176169.30000111.1D435 Q436 I437 L441 S442 Q443D435-V439 WeakPolarHBondContact O-CB 3.38Å; D435-V439 VanDerWaalsContact O-CG2 3.32Å; D435-V439 WeakPolarHBondContact O-CG2 3.19Å; D435-V439 PolarHBondContact O-N 3.09Å; Q436-V439 PolarHBondContact O-N 3.13Å; I437-V439 PolarHBondContact O-N 3.09Å; V439-L441 VanDerWaalsContact C-N 3.32Å; V439-L441 PolarHBondContact O-N 2.85Å; V439-S442 PolarHBondContact O-N 3.2Å; V439-S442 PolarHBondContact O-OG 3.05Å; V439-Q443 VanDerWaalsContact CG1-NE2 3.25Å; V439-Q443 WeakPolarHBondContact O-CG 2.97Å; V439-Q443 PolarHBondContact O-N 2.7Å
440D71.2Confident62.9Low97 Ų97108 Ų10852%0.51959%0.588SS.*Hα-helixtrans-58.8-43.2176.6-106.623.4000111.5Q436 I437 S442 Q443 K444Q436-D440 WeakPolarHBondContact O-CB 3.4Å; Q436-D440 PolarHBondContact O-N 3.37Å; I437-D440 PolarHBondContact O-N 2.82Å; D440-S442 VanDerWaalsContact C-N 3.34Å; D440-S442 PolarHBondContact O-N 3.02Å; D440-Q443 PolarHBondContact O-N 2.94Å; D440-K444 WeakPolarHBondContact O-CB 3.48Å; D440-K444 PolarHBondContact O-N 2.86Å
441L70.8Confident62.4Low114 Ų114109.2 Ų109.260%0.59760%0.604SS**Hα-helixtrans-64.8-38.5178.2-15974000111.6I437 V439 T445I437-L441 VanDerWaalsContact O-CB 3.26Å; I437-L441 WeakPolarHBondContact O-CB 3.43Å; I437-L441 PolarHBondContact O-N 2.96Å; V439-L441 VanDerWaalsContact C-N 3.32Å; V439-L441 PolarHBondContact O-N 2.85Å; L441-T445 WeakPolarHBondContact O-CB 3.35Å; L441-T445 PolarHBondContact O-N 2.68Å; L441-T445 PolarHBondContact O-OG1 3.28Å
442S66.6Low60.9Low73 Ų73110.4 Ų110.451%0.5162%0.624SS.*Hα-helixtrans-66.2-44175.778.70000112.2A438 V439 D440 T445 G446A438-S442 WeakPolarHBondContact O-CB 3.4Å; A438-S442 PolarHBondContact O-N 2.73Å; V439-S442 PolarHBondContact O-N 3.2Å; V439-S442 PolarHBondContact O-OG 3.05Å; D440-S442 VanDerWaalsContact C-N 3.34Å; D440-S442 PolarHBondContact O-N 3.02Å; S442-T445 PolarHBondContact O-N 2.83Å; S442-G446 PolarHBondContact O-N 2.68Å
443Q65.6Low59.3Low128 Ų128109.9 Ų109.960%0.59864%0.636SS**Hα-helixtrans-66.1-42.3177.6-68.9-175.642.300111.7V439 D440 T445 G446 A447V439-Q443 VanDerWaalsContact CG1-NE2 3.25Å; V439-Q443 WeakPolarHBondContact O-CG 2.97Å; V439-Q443 PolarHBondContact O-N 2.7Å; D440-Q443 PolarHBondContact O-N 2.94Å; Q443-T445 VanDerWaalsContact C-N 3.34Å; Q443-T445 PolarHBondContact O-N 3.26Å; Q443-G446 PolarHBondContact O-N 2.68Å; Q443-A447 PolarHBondContact O-N 2.86Å; Q443-A447 VanDerWaalsContact O-N 3.07Å
444K56.6Low57.6Low160 Ų160110.3 Ų110.370%0.69665%0.654SS**Hα-helixtrans-69.9-29.8179.5-164.8169.5-175.9176.60112.9D440D440-K444 WeakPolarHBondContact O-CB 3.48Å; D440-K444 PolarHBondContact O-N 2.86Å
445T59.2Low55.8Low96 Ų96105.7 Ų105.759%0.58966%0.658SS**Hα-helixtrans-73.1-42.1170.4-53.70000110.9L441 S442 Q443 A447 L448L441-T445 WeakPolarHBondContact O-CB 3.35Å; L441-T445 PolarHBondContact O-N 2.68Å; L441-T445 PolarHBondContact O-OG1 3.28Å; S442-T445 PolarHBondContact O-N 2.83Å; Q443-T445 VanDerWaalsContact C-N 3.34Å; Q443-T445 PolarHBondContact O-N 3.26Å; T445-A447 PolarHBondContact O-N 2.95Å; T445-L448 PolarHBondContact O-N 2.94Å
446G51.2Low53.8Low57 Ų57105.6 Ų105.659%0.58868%0.679SS**Hα-helixtrans-63.2-20.4175.400000114.7S442 Q443 L448S442-G446 PolarHBondContact O-N 2.68Å; Q443-G446 PolarHBondContact O-N 2.68Å; G446-L448 VanDerWaalsContact C-N 3.3Å
447A50.7Low51.8Low76 Ų76102.9 Ų102.963%0.62868%0.684SS**THydrogen-bonded Turntrans-76.5-11.7173.800000114.2Q443 T445Q443-A447 PolarHBondContact O-N 2.86Å; Q443-A447 VanDerWaalsContact O-N 3.07Å; T445-A447 PolarHBondContact O-N 2.95Å
448L48.3Very low49.8Very low134 Ų134110.1 Ų110.170%0.70270%0.704SS**  trans-119.166.6-175.9-65.3178.4000111.5T445 G446 L450T445-L448 PolarHBondContact O-N 2.94Å; G446-L448 VanDerWaalsContact C-N 3.3Å; L448-L450 VanDerWaalsContact C-N 3.31Å; L448-L450 PolarHBondContact O-N 3.21Å
449S43.3Very low47.8Very low115 Ų115111.2 Ų111.280%0.80472%0.721SS**  trans-6678.2179-650000113.9
450L47.3Very low45.8Very low167 Ų167113.2 Ų113.287%0.87475%0.745SS**  trans-99.465167.4-71.7178.4000111.5L448L448-L450 VanDerWaalsContact C-N 3.31Å; L448-L450 PolarHBondContact O-N 3.21Å
451N39.5Very low43.9Very low169 Ų169112.4 Ų112.490%0.90476%0.759SS**  trans-130.497.3160.9-105.6-11.3000108.2
452G31.8Very low42.2Very low69 Ų69117.4 Ų117.471%0.71178%0.776SS**  trans-102.7137.4-179.600000112.2
453S35.3Very low40.5Very low131 Ų131117.7 Ų117.792%0.91679%0.79SS**  trans67.6149.7171.1-55.60000116.1
454A33Very low38.9Very low105 Ų105118.2 Ų118.287%0.86880%0.802SS**  cis-165.6161.7-21.500000106.7
455G33.2Very low37.7Very low75 Ų75118.5 Ų118.577%0.77381%0.809SS**  cis171.4148.9-4.300000110.2
456G30.7Very low36.3Very low89 Ų89119.2 Ų119.292%0.91882%0.819SS**  trans75.6160.9-176.800000114.7
457G30.9Very low35.2Very low66 Ų66121.7 Ų121.768%0.6883%0.827SS**  cis162.7116.3-10.100000114.2
458R33Very low34.2Very low262 Ų262128 Ų12899%0.98984%0.84SS**  trans71.8151.9172.7-47.8176.6178.3-152.1-2.1116.1
459G30.5Very low33.5Very low83 Ų83131.8 Ų131.886%0.85685%0.845SS**  trans134.590.1166.900000114.3
460A34.2Very low33.6Very low111 Ų111132.2 Ų132.292%0.91785%0.845SS**  trans-105.3143.4167.300000109.8
461G31.5Very low33.6Very low80 Ų80129.6 Ų129.683%0.82584%0.838SS**  trans-176.6125.1176.200000114.6
462K34.3Very low33.1Very low220 Ų220125.5 Ų125.596%0.95784%0.836SS**  trans-77154.4158.4-63.6175.8177.3178.50108.8
463G30.1Very low33Very low78 Ų78126.3 Ų126.380%0.80484%0.844SS**  trans177.3110.4163.900000114.2
464V32.1Very low32.8Very low140 Ų140129.4 Ų129.485%0.84884%0.844SS**  trans-106.6165.8164.1-176.30000107.7
465I32.6Very low32.7Very low165 Ų165128 Ų12885%0.84684%0.839SS**  trans116.7136.3159.6-58.9176.8000113.7
466S28.3Very low32.7Very low112 Ų112133.5 Ų133.578%0.78385%0.845SS**  trans-105.3177-157.4-40.10000114.2
467S28.8Very low32.6Very low109 Ų109133 Ų13376%0.76284%0.84SS**  trans94.9119139.8-159.40000119
468K30.6Very low32.6Very low207 Ų207134.8 Ų134.890%0.985%0.848SS**  -155.9161.1104.3-108.9172-177178.20114
469R33.8Very low32.4Very low215 Ų215127.7 Ų127.781%0.81184%0.839SS**  trans-84.8167.3-178-122.6-174.4-164.1166.83.9111.9
470P44.6Very low33.1Very low123 Ų123129.7 Ų129.780%0.79984%0.837SS**  -132.1-178.4101.534.5-20.8000113.1
471P47.4Very low34Very low112 Ų112129.7 Ų129.773%0.72783%0.827SS**  trans-126.6176.3-148.643.5-31.6000117.3
472G29.1Very low34.3Very low84 Ų84131.9 Ų131.987%0.86683%0.827SS**  trans131.6130.2152.700000116
473G30.3Very low34.4Very low85 Ų85125.7 Ų125.788%0.87682%0.817SS**  trans142.9119.1172.700000113.6
474H31.1Very low35.1Very low197 Ų197127.3 Ų127.391%0.91281%0.813SS**  trans-108.2153.3177.6-95.3-70.8000111.7
475G30.4Very low35Very low75 Ų75126.3 Ų126.377%0.77381%0.812SS**  trans163.7124.8168.600000111.4
476E32.2Very low35.3Very low190 Ų190123 Ų12389%0.88881%0.81SS**  trans-124.4153.9-172.5-69.417877.100113.1
477G29.7Very low35.5Very low79 Ų79125.5 Ų125.581%0.81481%0.814SS**  trans83.5159.916200000116.9
478A29.5Very low36Very low104 Ų104128.7 Ų128.786%0.8682%0.817SS**  cis-160.4175.3-1000000111.2
479S28.8Very low36.2Very low113 Ų113127 Ų12779%0.7982%0.816SS**  trans-95.3176.6176.5-41.50000111.8
480P45.7Very low36.1Very low125 Ų125126.3 Ų126.381%0.81281%0.814SS**  cis-126-108.9-38.329.2-5.5000113.8
481P54.1Low35.5Very low111 Ų111127.9 Ų127.972%0.72182%0.816SS**  trans-100.7179.1-153.346.5-36.6000114.5
482P38Very low35.2Very low126 Ų126130 Ų13082%0.81882%0.817SS**  -152.7-177.893.343.8-26.6000116.2
483A35.1Very low36.5Very low89 Ų89132.2 Ų132.274%0.73682%0.815SS**  trans-99.8-174.4156.600000108.7
484P45.4Very low36.8Very low113 Ų113137.2 Ų137.273%0.73482%0.816SS**  cis-155.2-150.539.345.2-21.3000115.6
485S29.9Very low36.8Very low119 Ų119131.5 Ų131.583%0.83281%0.811SS**  trans83.6159.215365.30000119.5
486A38.6Very low37.2Very low95 Ų95134.3 Ų134.379%0.78582%0.817SS**  trans-142.8165-170.300000109.1
487D33.4Very low37.4Very low165 Ų165129.2 Ų129.288%0.88281%0.807SS**  trans-147.7157.5169.7-116.8-39.5000112.6
488H38.7Very low37.6Very low175 Ų175135.5 Ų135.581%0.8181%0.812SS**  trans-102.8151.5178.2-68.7-108.1000111.2
489I35.3Very low37.5Very low172 Ų172134 Ų13488%0.88281%0.806SS**  trans-151.8145.4152.5-104.8147.5000109.4
490Y30.3Very low37.7Very low200 Ų200133.8 Ų133.878%0.78481%0.805SS**  trans-87.1153.6179-98.1-114.1000111.5
491D32.8Very low37.1Very low156 Ų156133.7 Ų133.783%0.83481%0.807SS**  -167.1138.4108.2-114-2.7000112.2
492E41.8Very low36Very low158 Ų158133.4 Ų133.474%0.73881%0.808SS**  trans-99.3161.7156.4-71.3-169119.200108.5
493P56Low35.8Very low129 Ų129135.2 Ų135.284%0.83881%0.81SS**  -138.3148.312036.1-26.4000115.1
494E35.8Very low36.3Very low190 Ų190136.3 Ų136.389%0.88881%0.81SS**  trans-67.4158.7172.1-56.1175.394.200113.1
495G32.3Very low35.6Very low78 Ų78137.3 Ų137.380%0.80481%0.813SS**  trans-167.2104.1173.100000115.4
496C37.3Very low35.7Very low134 Ų134135.9 Ų135.991%0.90580%0.803SS**  trans-87.2176.3171.1-64.10000111.1
497A36.5Very low35.5Very low82 Ų82139.8 Ų139.868%0.67881%0.81SS**  cis-162.6154.617.600000115.1
498K34.4Very low35.2Very low212 Ų212135.2 Ų135.292%0.92280%0.802SS**  trans50.8131.8136.3-68.3174.4179.6176.30123.2
499G28.1Very low34.8Very low72 Ų72135 Ų13574%0.74280%0.804SS**  trans148.6137132.900000116.1
500S32.8Very low34.6Very low109 Ų109132.7 Ų132.776%0.76280%0.797SS**  cis-179.7130.2-40.842.40000110
501S32.8Very low34.7Very low123 Ų123129.3 Ų129.386%0.8680%0.797SS**  trans63.1161.316587.60000117.3
502S30.5Very low34.7Very low104 Ų104132.1 Ų132.173%0.72780%0.798SS**  cis-148.8161.4753.20000113.4
503L34.9Very low34.2Very low164 Ų164132.3 Ų132.386%0.85980%0.804SS**  trans-120.1165.4158.5-72.4175.5000108.2
504P45Very low33.3Very low113 Ų113133.8 Ų133.873%0.73480%0.8SS**  -147.3140.6112.541.4-26.1000114
505V31.3Very low33.1Very low134 Ų134129.8 Ų129.881%0.81280%0.799SS**  77.1139.495.8170.80000115.1
506S31.3Very low33.1Very low89 Ų89136.7 Ų136.762%0.62280%0.801SS**  cis-175.7160.4-15.8-91.50000114
507L33.4Very low32.8Very low176 Ų176138.3 Ų138.392%0.92180%0.8SS**  trans64.6154.7143.3-9475.5000124.9
508G27.5Very low32.5Very low70 Ų70142.6 Ų142.672%0.72281%0.806SS**  trans105.2112166.900000114.2
509M31.6Very low33.4Very low171 Ų171137.3 Ų137.384%0.84279%0.793SS**  cis83.9119.413.9-78.3-161.671.100119.6
510T30.8Very low33.4Very low122 Ų122141.8 Ų141.875%0.74880%0.795SS**  trans67.3158.1162.265.70000118.9
511V32.3Very low33.2Very low129 Ų129145.9 Ų145.978%0.78279%0.793SS**  cis-159.7170.2-24.9135.70000107.6
512Y31.8Very low32.9Very low215 Ų215150.4 Ų150.484%0.84379%0.791SS**  trans-33.2151.4171.3-89.7-101.6000118.3
513D31.6Very low32.8Very low162 Ų162151.2 Ų151.287%0.86678%0.784SS**  trans-144.7162.4146.8-158.31.9000110.7
514E37.5Very low32.6Very low161 Ų161149.9 Ų149.975%0.75277%0.773SS**  trans-137.8124.7-167.3-113.7-114.2-147.700112.9
515A31.9Very low31.7Very low106 Ų106152 Ų15288%0.87677%0.773SS**  trans-155.398.4171.800000114.7
516R31.6Very low31.8Very low223 Ų223153 Ų15384%0.84277%0.773SS**  trans-67.5140.6169.8163.6-167.6-174.8176.23.2114.2
517L31.1Very low31.7Very low168 Ų168151.1 Ų151.188%0.8877%0.767SS**  trans-170.1166.8137-104.8168.3000113.5
518E30.8Very low32.8Very low172 Ų172148.6 Ų148.680%0.80476%0.761SS**  trans-111.2171.2-159.9-91.1-82109.400114.6
519P53.3Low33.8Very low100 Ų100151 Ų15165%0.64976%0.764SS**  trans-103.8176.7-158.141-38.9000116.6
520Q27.5Very low33.8Very low167 Ų167148.8 Ų148.878%0.7877%0.766SS**  trans-151.4148.3158.1-160.665.9-91.100114.5
521R29.1Very low33.6Very low194 Ų194146 Ų14673%0.73276%0.761SS**  trans-58.9165.9-177.9-58.1168146.988.4-2.6118
522R25.8Very low33.6Very low219 Ų219147.8 Ų147.883%0.82677%0.766SS**  -143.3141.8109.6-86.9-146.2168.81146.3110.5
523Q29.5Very low33.4Very low121 Ų121144.1 Ų144.157%0.56576%0.761SS**  cis92.3134.535.7163.5168.466.300112.7
524E28.9Very low33.3Very low135 Ų135140.1 Ų140.163%0.63175%0.75SS**  cis-159.5-179.8-25.5-104.3111.353.500106.1
525E27.9Very low33Very low158 Ų158138.4 Ų138.474%0.73875%0.75SS**  cis-126.4-111.89.6-163.4-156109.100111.6G527E525-G527 PolarHBondContact OE1-N 2.68Å
526L31.9Very low32.8Very low156 Ų156143.2 Ų143.282%0.81775%0.748SS**  cis-144.4142.6-1.8-142.7179.8000110.4
527G29.2Very low32.7Very low48 Ų48139.6 Ų139.650%0.49574%0.743SS.*  trans-87.9-174-163.100000121.6E525E525-G527 PolarHBondContact OE1-N 2.68Å
528P57.6Low32.5Very low123 Ų123137.9 Ų137.980%0.79974%0.74SS**  trans-101.1-168.7-166.541.7-38.3000114.7
529P47.6Very low32.5Very low121 Ų121134.1 Ų134.179%0.78674%0.738SS**  -147.9178.9111.740.1-24.8000117.6
530S31.3Very low31.5Very low124 Ų124133.8 Ų133.887%0.86774%0.738SS**  trans-23.7167.2164.2-45.20000120.2
531G27.6Very low31.9Very low63 Ų63134.8 Ų134.865%0.64974%0.742SS**  cis139154.2-0.100000113.1
532L31.5Very low31.9Very low168 Ų168128.7 Ų128.788%0.8874%0.74SS**  trans67.8160.8178.8-52.7171.2000114.9
533D28.5Very low32.2Very low138 Ų138127.7 Ų127.774%0.73874%0.742SS**  cis-154.3-177.6-4.7-138.3-43.2000112.5
534A29.9Very low32.7Very low78 Ų78128.2 Ų128.265%0.64576%0.756SS**  trans0.5162.2152.100000122.3
535T29.7Very low32.8Very low124 Ų124127.7 Ų127.776%0.76176%0.762SS**  cis171.7137.5-12.9-85.40000107.7
536Y29.5Very low33Very low208 Ų208127.8 Ų127.882%0.81676%0.762SS**  trans-178.2143.7137.358.2-107.9000117.3
537I29.6Very low32.9Very low146 Ų146126.1 Ų126.175%0.74975%0.753SS**  trans51.6123.5151.2-59.1159.6000118.7
538T26.9Very low32.9Very low133 Ų133132.6 Ų132.682%0.81677%0.771SS**  cis97.296.711-44.90000118.4
539A30.6Very low31.7Very low92 Ų92135.1 Ų135.176%0.7677%0.769SS**  trans174.5153.6148.900000109
540S31.9Very low30.8Very low94 Ų94137.6 Ų137.666%0.65777%0.77SS**  cis176.3142.4-19.651.80000107
541H34.8Very low30.9Very low187 Ų187136.6 Ų136.687%0.86676%0.763SS**  cis-161.2173-10.7-77.7-43.5000106.1
542G29.1Very low31.8Very low66 Ų66139.9 Ų139.968%0.6877%0.773SS**  cis154.6149.4-4.300000111.8
543K33.4Very low31.9Very low199 Ų199141.8 Ų141.887%0.86577%0.774SS**  trans75.9134.6-176.9-53.7-169.9177.6-1740115.5
544P39.7Very low32.4Very low132 Ų132143.2 Ų143.286%0.85778%0.781SS**  -115.4-163.17939.3-37.9000114.5
545T31.6Very low32.9Very low123 Ų123145.9 Ų145.976%0.75579%0.791SS**  trans-106166.3-163.6-480000113.8
546E32Very low32.8Very low161 Ų161143.5 Ų143.575%0.75279%0.792SS**  trans-35.5167.1171.7-71.2179.898.300119
547L28.9Very low33.1Very low120 Ų120142 Ų14263%0.62880%0.797SS**  cis-157.6144.826.1-136.8152.5000113.9
548Q29.2Very low33.1Very low185 Ų185140.2 Ų140.286%0.86480%0.798SS**  trans52.8155.1158.1-92.5164.77.200124.6
549K31.9Very low33.4Very low176 Ų176146.1 Ų146.177%0.76581%0.805SS**  trans-120.4156.6179.9-51.6162.5-177.8170.80109.4
550H30.2Very low33.4Very low172 Ų172145.4 Ų145.480%0.79681%0.806SS**  164.3145.8110.6-96.2-76.4000114.2
551S32.8Very low33.7Very low103 Ų103147.6 Ų147.672%0.7282%0.816SS**  trans-101.6169.6162.1-41.90000110.3
552P46.3Very low33.7Very low133 Ų133144.8 Ų144.886%0.86482%0.815SS**  -146.4-158.3107.338.9-21.9000114.8
553K34.3Very low34.2Very low208 Ų208149.1 Ų149.190%0.90482%0.817SS**  trans-121.5176-164.9-63.2-179.8178178.80114.3
554L37.3Very low34.7Very low168 Ų168145 Ų14588%0.8881%0.811SS**  trans-53.5158.1173.9-59.5163.5000115
555P41Very low34.7Very low133 Ų133144 Ų14486%0.86480%0.804SS**  -144-161.198.840.4-25000114.2
556G28.7Very low35.1Very low74 Ų74143.6 Ų143.676%0.76380%0.801SS**  trans-168.7-152.4179.200000115.7
557L34.7Very low35.5Very low176 Ų176141.4 Ų141.492%0.92180%0.802SS**  trans105.6143.4170.5-153.777.9000118.5
558S30.1Very low35.8Very low110 Ų110145 Ų14577%0.76981%0.812SS**  trans104.694.1153.474.50000122.7
559R33.8Very low36.1Very low256 Ų256145.5 Ų145.597%0.96681%0.812SS**  43.3116.4129.5-152.2-178.3-153.4-153.26.3121.9
560G29.3Very low36.4Very low77 Ų77142.8 Ų142.879%0.79481%0.812SS**  trans176.4132.2156.200000114.5
561T38Very low36.9Very low141 Ų141143.9 Ų143.987%0.86582%0.815SS**  trans-126.6142.8172.522.40000108.8
562P35.9Very low37.1Very low128 Ų128145.3 Ų145.383%0.83182%0.821SS**  -142170.170.538.8-21.3000117
563Q39.9Very low36.7Very low156 Ų156143.6 Ų143.673%0.72982%0.819SS**  trans-69.4157.5160.9-79.3-94.2-25.200110.1
564P42Very low36.7Very low114 Ų114140.3 Ų140.374%0.7482%0.816SS**  cis-143-154.638.145.3-26000113.1
565P40.8Very low36.6Very low110 Ų110136.5 Ų136.571%0.71481%0.809SS**  cis-111.7178.4-30.938.9-27.2000112.2
566T40.8Very low36.5Very low114 Ų114136.1 Ų136.170%0.69981%0.806SS**PPolyproline II helixtrans-85.7133.8-178.446.90000114.6
567P38.6Very low36.9Very low116 Ų116141.7 Ų141.775%0.75381%0.809SS**PPolyproline II helixtrans-74.5132.5165.630.6-32.4000110.4
568K37.2Very low37Very low196 Ų196139.3 Ų139.385%0.85281%0.805SS**PPolyproline II helixtrans-88.3130.7-177.1-60.7168.8-176.3170.20110.7
569F34.5Very low37.1Very low194 Ų194141.9 Ų141.985%0.85181%0.809SS**  trans-124.3152.9159.3-84.8-89.6000110.8
570P38.8Very low37.1Very low120 Ų120139.9 Ų139.978%0.77981%0.808SS**PPolyproline II helixtrans-84.3159.9-154.2-15.132.6000115.6
571K39.7Very low37.1Very low195 Ų195141.9 Ų141.985%0.84881%0.809SS**PPolyproline II helixtrans-66.3144.3167.5-61176.4179.7179.20110.5
572P38Very low36.8Very low133 Ų133139 Ų13986%0.86480%0.8SS**PPolyproline II helixtrans-65.1134.6162.829.2-33.2000109.6
573A36.5Very low36.7Very low97 Ų97143 Ų14380%0.80281%0.805SS**  trans-118.6151.5-178.600000111.8
574T36Very low36.3Very low139 Ų139139.8 Ų139.885%0.85381%0.805SS**PPolyproline II helixtrans-49.3133-174.3-44.50000114.5
575A33.9Very low35.8Very low88 Ų88145.5 Ų145.573%0.72781%0.812SS**PPolyproline II helixtrans-69.9142.7171.900000112.1
576P38.8Very low35.3Very low124 Ų124150 Ų15081%0.80582%0.821SS**PPolyproline II helixtrans-82.8161.1-174.533.5-36.4000114
577K36.6Very low34.7Very low192 Ų192153.2 Ų153.284%0.83583%0.827SS**PPolyproline II helixtrans-80.9147.2170.9-62.2175-178.2174.20111
578P38.6Very low34.9Very low126 Ų126152.2 Ų152.282%0.81882%0.821SS**PPolyproline II helixtrans-72.4150.2164.431.1-33.9000111.7
579N32.3Very low34.7Very low163 Ų163149.3 Ų149.387%0.87282%0.819SS**PPolyproline II helixtrans-82.9162.5-174.6-79.4-28.2000114.3
580K32.6Very low35.1Very low215 Ų215145.7 Ų145.794%0.93582%0.815SS**  trans-115.2134.9166.3-83.5-172173.5-175.60111.3
581S29.5Very low35.1Very low118 Ų118147.6 Ų147.683%0.82582%0.818SS**  trans-167.6137.3165.4520000108
582A31.1Very low35.2Very low82 Ų82144.3 Ų144.368%0.67882%0.817SS**  cis-137.3165.7-13.500000106.6
583F33.9Very low34.9Very low210 Ų210142.9 Ų142.992%0.92182%0.816SS**  -161.3166.365.1-96.2-93.9000111.1
584A32.8Very low34.6Very low89 Ų89141.7 Ų141.774%0.73681%0.813SS**  trans-94.5-178.3165.700000110
585R30.6Very low34.4Very low234 Ų234144.5 Ų144.588%0.88381%0.814SS**  cis-170152.922.1-162.8178.2-173.2176.42.6110.6
586K30.4Very low34.2Very low206 Ų206148.8 Ų148.890%0.89682%0.818SS**  trans134.5170.4152.6-75.6-170.1173.4-173.30114.6
587E28.6Very low33.7Very low180 Ų180146.1 Ų146.184%0.84181%0.813SS**  trans-145.1-174.4-144.6-140.8-165.4132.700110
588P43.4Very low33.4Very low95 Ų95143.6 Ų143.662%0.61781%0.814SS**  -125.3-174-97.344.5-30.7000115.7
589V33.1Very low33Very low136 Ų136143.5 Ų143.582%0.82482%0.816SS**  trans71.6154163.2167.80000113.8
590P42.8Very low32.9Very low117 Ų117139.8 Ų139.876%0.7682%0.816SS**  cis-129.5-17515.223.92.5000118.3
591L37.2Very low32.9Very low160 Ų160134.5 Ų134.584%0.83881%0.806SS**PPolyproline II helixtrans-57.2163162.1-54.9162.1000114.2
592P41.6Very low32.9Very low127 Ų127135.6 Ų135.683%0.82580%0.803SS**PPolyproline II helixtrans-91.5140.2143.434.8-28.3000111.6
593A31.9Very low33.1Very low102 Ų102137.9 Ų137.984%0.84381%0.808SS**PPolyproline II helixtrans-103.2154.1171.300000111.1
594G32Very low32.8Very low73 Ų73135 Ų13575%0.75380%0.802SS**PPolyproline II helixtrans-90.1169.2173.200000113.6
595K31.3Very low32.8Very low197 Ų197136.4 Ų136.486%0.85780%0.798SS**  trans-159.2164.8163.1-113.8173.4-176.3-179.20112.8
596H30.3Very low32.9Very low178 Ų178131 Ų13182%0.82479%0.786SS**  trans-59.6163.6-171.7-37.6-77.7000115.2
597G27.4Very low33.2Very low68 Ų68127.7 Ų127.770%0.70178%0.778SS**  cis153-158.7-300000113.1
598V29.6Very low33.5Very low140 Ų140125.8 Ų125.885%0.84877%0.774SS**  trans91134.6164.6-174.20000119.4
599S30.4Very low32.8Very low123 Ų123128.5 Ų128.586%0.8678%0.78SS**  trans71.6133.7164.1-74.20000121.5
600G30.3Very low32.7Very low85 Ų85133.6 Ų133.688%0.87679%0.785SS**  trans145.993.3170.100000114
601S32.6Very low32.1Very low104 Ų104131.7 Ų131.773%0.72777%0.774SS**  trans-94.6145.2-174.6550000114.8
602N29.3Very low31.7Very low142 Ų142130.4 Ų130.476%0.75978%0.779SS**  163.9119.5125.4-77.8-9.9000110
603V35.2Very low31Very low129 Ų129128 Ų12878%0.78278%0.776SS**  72.2132.273.7-1620000114.4
604N29Very low30.7Very low150 Ų150127 Ų12780%0.80278%0.777SS**  trans95.6141.8152.8-149.874.6000119.4
605N31.5Very low30.6Very low119 Ų119127.6 Ų127.664%0.63678%0.783SS**  cis-168165.3-39-166.112.7000110.5
606N33.3Very low30.5Very low119 Ų119121.5 Ų121.564%0.63678%0.776SS**  trans4133.8157-84.5-21.2000121.2
607N37.5Very low30.8Very low137 Ų137122.2 Ų122.273%0.73378%0.776SS**  65.7119.676-78.5-33.8000116.7
608N34.2Very low31.3Very low140 Ų140127.4 Ų127.475%0.74978%0.782SS**  -172.3134.6118-104.22000110
609M29Very low31.5Very low152 Ų152127.8 Ų127.875%0.74978%0.779SS**  62.5115.377.5-77.1-170.261.300116.6
610W30.9Very low31.5Very low243 Ų243131.8 Ų131.892%0.9278%0.776SS**  -139.3156118.1-178.9-82.7000108.1
611S29.4Very low31.7Very low78 Ų78132.2 Ų132.255%0.54577%0.766SS.*  trans-137.8167.3-171.4-61.40000113.9
612S29Very low31.7Very low133 Ų133138.9 Ų138.993%0.9378%0.775SS**  trans84.3152.8158.4-152.80000118.4
613G26.3Very low31.7Very low75 Ų75138 Ų13877%0.77378%0.775SS**  trans125.877.3-177.900000112.8
614G27Very low31.7Very low83 Ų83137.6 Ų137.686%0.85678%0.777SS**  trans-100.2-173.8-174.500000115.4
615G28.9Very low31.9Very low85 Ų85139.3 Ų139.388%0.87678%0.778SS**  trans10594.4153.700000118.7
616G30.1Very low31.7Very low68 Ų68142.8 Ų142.870%0.70179%0.79SS**  88.9121.8121.200000121.7
617K36.1Very low31.5Very low193 Ų193146.4 Ų146.484%0.83980%0.8SS**  trans47.5113.7136.347.6177.1170.4179.70121.6
618E37.7Very low32.3Very low177 Ų177145 Ų14583%0.82780%0.799SS**  trans49.3120.8130.3-55.5174.2166.100120.8
619L34.1Very low32.9Very low148 Ų148144.1 Ų144.178%0.77580%0.8SS**  -178142.6105.7-115.793.6000114.3
620Y30.7Very low33.5Very low207 Ų207142.6 Ų142.681%0.81280%0.802SS**  trans46.9122.9144.2-89.9-112.7000124.7
621S32.9Very low33.3Very low94 Ų94136.5 Ų136.566%0.65780%0.797SS**  60.2126.1123-168.30000122.3
622R33.3Very low33.5Very low245 Ų245136.5 Ų136.593%0.92580%0.801SS**  -155.6148.8124.6-114.5172.6-171-162.31113.4
623V30.1Very low33.6Very low124 Ų124137 Ų13775%0.75279%0.791SS**  trans-120.2145.7174.9172.60000108.9
624S34.2Very low33.6Very low119 Ų119144.1 Ų144.183%0.83279%0.794SS**  trans-136.9157.8163.259.70000110.9
625K33.2Very low33.6Very low187 Ų187144.8 Ų144.881%0.81379%0.785SS**  trans-142.7169.2-175.7-80.2-173173.7-179.30110.2
626Q27Very low33.6Very low191 Ų191147.3 Ų147.389%0.89378%0.778SS**  trans74155.4168.6-56.9-175.9-3.100116.2
627K29.3Very low33.5Very low196 Ų196152.9 Ų152.985%0.85278%0.783SS**  cis-163.2162.5-44.1-125.3-148.7170-176.20107.6
628P54.9Low33.3Very low108 Ų108149.2 Ų149.270%0.70177%0.773SS**  trans-90.4169-177.139.3-36.5000112.9
629P46.6Very low33.3Very low120 Ų120148.6 Ų148.678%0.77977%0.769SS**  -146.8-163.397.144.3-28000111.6
630P40.9Very low33.3Very low121 Ų121150.2 Ų150.279%0.78677%0.773SS**  cis-132.8-179.9-3.242.9-25.6000117
631S28.1Very low33.5Very low115 Ų115144 Ų14480%0.80476%0.764SS**  trans-76.4-174.6171.8-44.90000112.5
632A33Very low33.8Very low78 Ų78145.6 Ų145.665%0.64577%0.773SS**  cis-163.2-178.719.600000113.8
633M30.8Very low34.2Very low144 Ų144142.6 Ų142.671%0.70977%0.774SS**  trans70140162.3-64.4150.458.400115.9
634W27.5Very low34.3Very low223 Ų223145.8 Ų145.885%0.84577%0.772SS**  cis-167.8169.7-6.4-118.9-16.6000108.7
635C25.7Very low34.3Very low97 Ų97143.7 Ų143.766%0.65576%0.762SS**  cis-153.8-147.7-0.7-160.10000110.4
636N28.7Very low35.2Very low139 Ų139140.9 Ų140.974%0.74376%0.763SS**  trans-67.7159.5178.3-78.8-59.2000114.1
637K29.8Very low35.5Very low184 Ų184136.9 Ų136.980%0.875%0.748SS**  -161.4128.752.5-169.4175.2-174.1177.60115.5
638N30.9Very low36.2Very low116 Ų116135.1 Ų135.162%0.6275%0.746SS**  trans54130.4156.4-56.115.1000119.2
639H37.5Very low35.4Very low164 Ų164136.8 Ų136.876%0.75975%0.748SS**  cis75.814441.5-60.619.2000113
640Q34.8Very low35Very low182 Ų182141.2 Ų141.285%0.8575%0.751SS**  cis-157.9-165.618.3-144.6161.92.600111.4
641A34.9Very low35.5Very low76 Ų76142.1 Ų142.163%0.62875%0.749SS**  -146.9168.1-98.800000110
642P39.3Very low36.2Very low128 Ų128143.5 Ų143.583%0.83175%0.747SS**  trans-79.3156.7176.732.5-35000113.2
643L41.6Very low36.6Very low182 Ų182148.5 Ų148.595%0.95376%0.762SS**  trans-89.5169.6-177.7-74174.2000114.1
644R32.6Very low36.8Very low191 Ų191144.7 Ų144.772%0.72176%0.76SS**  trans-126.4156.6-152.1-165.5176.1172.2-108.1-3.5112.4D647R644-D647 IonicContact CZ-OD1 2.73Å; R644-D647 IonicContact CZ-OD2 3.55Å; R644-D647 IonicContact NH1-OD1 2.67Å; R644-D647 PolarHBondContact NH1-OD1 3.12Å; R644-D647 IonicContact NH1-OD2 3.68Å; R644-D647 PolarHBondContact NH1-OD2 3.4Å; R644-D647 IonicContact NH2-OD1 2.86Å; R644-D647 PolarHBondContact NH2-OD1 3.18Å; R644-D647 IonicContact NH2-OD2 2.68Å
645A34.1Very low37.4Very low75 Ų75142.4 Ų142.462%0.6276%0.764SS**PPolyproline II helixtrans-73.5157.2167.700000111.7
646P51.7Low38Very low129 Ų129149.4 Ų149.484%0.83879%0.792SS**PPolyproline II helixtrans-74.9148.3179.331.1-35.4000112.8
647D33.6Very low38.5Very low107 Ų107149.9 Ų149.957%0.57280%0.795SS**PPolyproline II helixtrans-84.2150.9178.8-55.2-83.5000112.9R644R644-D647 IonicContact CZ-OD1 2.73Å; R644-D647 IonicContact CZ-OD2 3.55Å; R644-D647 IonicContact NH1-OD1 2.67Å; R644-D647 PolarHBondContact NH1-OD1 3.12Å; R644-D647 IonicContact NH1-OD2 3.68Å; R644-D647 PolarHBondContact NH1-OD2 3.4Å; R644-D647 IonicContact NH2-OD1 2.86Å; R644-D647 PolarHBondContact NH2-OD1 3.18Å; R644-D647 IonicContact NH2-OD2 2.68Å
648I42.8Very low38.9Very low158 Ų158148.1 Ų148.181%0.8180%0.795SS**PPolyproline II helixtrans-94.9126158.4-65.5176.1000107.4
649I38.9Very low39.4Very low143 Ų143149.9 Ų149.973%0.73380%0.804SS**PPolyproline II helixtrans-83.8126.1177.4-57.7170.7000108.7
650Y38.3Very low39.5Very low214 Ų214149.1 Ų149.184%0.83981%0.807SS**  trans-130.7108.2161.3-120-83.5000107.4
651D50.2Low39.8Very low140 Ų140147 Ų14775%0.74980%0.804SS**  trans-95.2156.9177.1-123.5-42.2000111
652N42.6Very low40.1Very low143 Ų143151.7 Ų151.777%0.76582%0.816SS**  trans-87.5151.8-172.3-74.7-99.8000112.6
653L41.6Very low40.1Very low183 Ų183153.4 Ų153.496%0.95882%0.815SS**  trans162.8128.8149.8-91.2160.4000107.3
654G34.8Very low40Very low65 Ų65151.2 Ų151.267%0.6780%0.804SS**  cis-175.2176-5.500000108.8I656G654-I656 PolarHBondContact O-N 3.24Å
655D40.2Very low40.6Very low175 Ų175147.9 Ų147.994%0.93681%0.811SS**  trans-66.7113.9-177.5-61.6-76.9000113.6
656I39.1Very low41.2Very low243 Ų243154.5 Ų154.5100%1.24683%0.829SS**  trans-143.90149.8-53.4-176.6000107.8G654G654-I656 PolarHBondContact O-N 3.24Å

Retrieved 656 of 656 residues in 116.7 ms (Link to these results)

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