A0A096N1D0_PAPAN Loading...

Mitogen-activated protein kinase 15

AlphaFold DB , UniProt , Accession A0A096N1D0, Species PAPAN (Papio anubis, Olive baboon), Gene MAPK15, Length 544 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
1M31.7Very low76.5Confident244 Ų24497.6 Ų97.6100%1.20252%0.516SS*.  0137.70-62.2167.4-178.200107.5S3M1-S3 PolarHBondContact O-N 3.49Å
2C37.6Very low78.1Confident132 Ų13294.9 Ų94.989%0.89249%0.494SS*.PPolyproline II helixtrans-70.6122.9165.1-66.90000107.6A4C2-A4 PolarHBondContact O-N 3.08Å
3S55.9Low79.5Confident47 Ų4787.8 Ų87.833%0.32946%0.456SS..PPolyproline II helixtrans-63.2118.817358.80000108.3M1 F45M1-S3 PolarHBondContact O-N 3.49Å; S3-F45 VanDerWaalsContact OG-CE1 3.27Å; S3-F45 WeakPolarHBondContact OG-CE1 3.41Å
4A75.9Confident80.6Confident79 Ų7985.4 Ų85.465%0.65344%0.444SS*.PPolyproline II helixtrans-57.2148.2175.100000110.4C2 K43C2-A4 PolarHBondContact O-N 3.08Å; A4-K43 PolarHBondContact O-NZ 3.37Å; A4-K43 VanDerWaalsContact O-NZ 3.1Å
5V86.9Confident81.5Confident29 Ų2982.8 Ų82.818%0.17643%0.431CS..PPolyproline II helixtrans-88.8122.3168.4-177.70000107.8I9 V10 L15 W28 Y89V5-I9 HydrophobicContact CG1-CB 3.74Å; V5-I9 HydrophobicContact CG1-CG1 4.49Å; V5-I9 HydrophobicContact CG1-CG2 3.58Å; V5-V10 HydrophobicContact CB-CG2 4.1Å; V5-V10 HydrophobicContact CG1-CG2 3.92Å; V5-L15 HydrophobicContact CB-CD1 4.09Å; V5-L15 HydrophobicContact CG1-CD1 3.99Å; V5-L15 HydrophobicContact CG2-CD1 3.94Å; V5-W28 HydrophobicContact CG2-CH2 3.38Å; V5-W28 HydrophobicContact CG2-CZ2 3.35Å; V5-W28 HydrophobicContact CG2-CZ3 4.08Å; V5-Y89 WeakPolarHBondContact CA-OH 3.49Å; V5-Y89 HydrophobicContact CG1-CE1 4.11Å
6D92.7Very high82.1Confident17 Ų1788.2 Ų88.29%0.09144%0.444CS..PPolyproline II helixtrans-52.4135.6-172.6-57.119.9000111.1R8 I9 V10 K43 A82 E83 Y89D6-R8 PolarHBondContact O-N 3.42Å; D6-I9 HydrophobicContact CB-CG1 4.27Å; D6-I9 WeakPolarHBondContact O-CB 3.37Å; D6-I9 PolarHBondContact O-N 3.37Å; D6-V10 PolarHBondContact O-N 2.85Å; D6-K43 IonicContact OD1-NZ 3.77Å; D6-K43 PolarHBondContact OD1-NZ 2.94Å; D6-A82 WeakPolarHBondContact OD2-CA 3.2Å; D6-A82 WeakPolarHBondContact OD2-CB 3.45Å; D6-E83 HydrophobicContact CB-CG 4.21Å; D6-E83 PolarHBondContact OD2-N 2.84Å; D6-Y89 HydrophobicContact CB-CE2 4.24Å; D6-Y89 PolarHBondContact N-OH 3.14Å; D6-Y89 VanDerWaalsContact N-OH 3.08Å; D6-Y89 PolarHBondContact OD1-OH 3.18Å
7P90.6Very high82.4Confident73 Ų7390.5 Ų90.547%0.47445%0.446SS..Hα-helixtrans-53.3-32.3-175.6-29.836000114.4I9 V10 R11 E83P7-I9 VanDerWaalsContact C-N 3.34Å; P7-I9 PolarHBondContact O-N 2.94Å; P7-V10 PolarHBondContact O-N 3.18Å; P7-R11 WeakPolarHBondContact O-CB 3.15Å; P7-R11 VanDerWaalsContact O-CG 3.22Å; P7-R11 WeakPolarHBondContact O-CG 3.29Å; P7-R11 PolarHBondContact O-N 3.32Å; P7-E83 WeakPolarHBondContact CD-OE2 3.46Å
8R90.9Very high82.6Confident179 Ų17990.5 Ų90.568%0.67545%0.445SS*.Hα-helixtrans-60.2-40.6174.1-67.6173.1-165.8-132.6-3.2112.9D6 R12 E83D6-R8 PolarHBondContact O-N 3.42Å; R8-R12 PolarHBondContact O-N 3.37Å; R8-E83 WeakPolarHBondContact CD-OE1 3.01Å; R8-E83 VanDerWaalsContact CG-OE1 3.25Å; R8-E83 WeakPolarHBondContact CG-OE1 3.26Å; R8-E83 IonicContact CZ-OE1 2.94Å; R8-E83 IonicContact NE-OE1 3.8Å; R8-E83 PolarHBondContact NE-OE1 3.37Å
9I93.7Very high82.6Confident4 Ų486.9 Ų86.92%0.02143%0.427CS..Hα-helixtrans-67.5-47.8177.6-59.7-66.7000109.5V5 D6 P7 R11 R12 Y13 I41 I80 Y89V5-I9 HydrophobicContact CG1-CB 3.74Å; V5-I9 HydrophobicContact CG1-CG1 4.49Å; V5-I9 HydrophobicContact CG1-CG2 3.58Å; D6-I9 HydrophobicContact CB-CG1 4.27Å; D6-I9 WeakPolarHBondContact O-CB 3.37Å; D6-I9 PolarHBondContact O-N 3.37Å; P7-I9 VanDerWaalsContact C-N 3.34Å; P7-I9 PolarHBondContact O-N 2.94Å; I9-R11 VanDerWaalsContact C-N 3.3Å; I9-R11 PolarHBondContact O-N 2.83Å; I9-R12 PolarHBondContact O-N 2.77Å; I9-Y13 HydrophobicContact CG2-CD2 4.13Å; I9-Y13 WeakPolarHBondContact O-CB 3.36Å; I9-Y13 PolarHBondContact O-N 3.25Å; I9-I41 HydrophobicContact CG2-CD1 4.38Å; I9-I80 HydrophobicContact CD1-CB 4.14Å; I9-I80 HydrophobicContact CD1-CD1 3.8Å; I9-I80 HydrophobicContact CD1-CG2 3.81Å; I9-Y89 HydrophobicContact CB-CE1 4.49Å; I9-Y89 HydrophobicContact CD1-CD1 4.01Å; I9-Y89 HydrophobicContact CD1-CD2 4Å; I9-Y89 HydrophobicContact CD1-CE1 4.39Å; I9-Y89 HydrophobicContact CD1-CE2 4.4Å; I9-Y89 HydrophobicContact CD1-CG 3.77Å; I9-Y89 HydrophobicContact CG1-CD1 3.99Å; I9-Y89 HydrophobicContact CG1-CD2 4Å; I9-Y89 HydrophobicContact CG1-CE1 3.85Å; I9-Y89 HydrophobicContact CG1-CE2 3.89Å; I9-Y89 HydrophobicContact CG1-CG 4.04Å; I9-Y89 HydrophobicContact CG2-CD1 4.48Å; I9-Y89 HydrophobicContact CG2-CE1 4.28Å
10V92.6Very high82.1Confident65 Ų6583.2 Ų83.239%0.39441%0.413SS..Hα-helixtrans-65.8-31.4-179.2-173.40000112.6V5 D6 P7 L15V5-V10 HydrophobicContact CB-CG2 4.1Å; V5-V10 HydrophobicContact CG1-CG2 3.92Å; D6-V10 PolarHBondContact O-N 2.85Å; P7-V10 PolarHBondContact O-N 3.18Å; V10-L15 HydrophobicContact CG2-CD1 4.43Å
11R93.4Very high81.8Confident205 Ų20585 Ų8577%0.77442%0.42SS*.Hα-helixtrans-64.4-40.1174.6-79.8174.3-176.8-1612.5113P7 I9 R33P7-R11 WeakPolarHBondContact O-CB 3.15Å; P7-R11 VanDerWaalsContact O-CG 3.22Å; P7-R11 WeakPolarHBondContact O-CG 3.29Å; P7-R11 PolarHBondContact O-N 3.32Å; I9-R11 VanDerWaalsContact C-N 3.3Å; I9-R11 PolarHBondContact O-N 2.83Å; R11-R33 VanDerWaalsContact O-CD 3.23Å; R11-R33 WeakPolarHBondContact O-CD 3.27Å
12R95Very high83.6Confident65 Ų6574.3 Ų74.325%0.24537%0.372CS..Hα-helixtrans-89.5-40177.8178.5169.5168.7-159.2-14.5113.1R8 I9 D32 R33 D78R8-R12 PolarHBondContact O-N 3.37Å; I9-R12 PolarHBondContact O-N 2.77Å; R12-D32 VanDerWaalsContact CG-OD1 3.31Å; R12-D32 WeakPolarHBondContact CG-OD1 3.38Å; R12-D32 IonicContact CZ-OD2 2.65Å; R12-D32 IonicContact NE-OD1 2.73Å; R12-D32 PolarHBondContact NE-OD1 2.83Å; R12-D32 IonicContact NE-OD2 3.78Å; R12-D32 PolarHBondContact NE-OD2 3.5Å; R12-D32 IonicContact NH2-OD2 3.14Å; R12-D32 PolarHBondContact NH2-OD2 3.17Å; R12-R33 WeakPolarHBondContact O-CB 3.43Å; R12-R33 WeakPolarHBondContact O-CD 3.49Å; R12-R33 WeakPolarHBondContact O-CG 3.31Å; R12-R33 PolarHBondContact O-N 3.23Å; R12-D78 IonicContact CZ-OD2 3.19Å; R12-D78 IonicContact NH1-OD2 2.92Å; R12-D78 PolarHBondContact NH1-OD2 3.24Å; R12-D78 IonicContact NH2-OD2 3.67Å; R12-D78 PolarHBondContact NH2-OD2 2.76Å
13Y96.6Very high84.8Confident2 Ų271.8 Ų71.81%0.00836%0.361CS..EExtended strand (participates in β ladder)trans-112119.3-171.6-58.7-80.8000111.2I9 L15 V31 D32 V39 I41 I80 V91I9-Y13 HydrophobicContact CG2-CD2 4.13Å; I9-Y13 WeakPolarHBondContact O-CB 3.36Å; I9-Y13 PolarHBondContact O-N 3.25Å; Y13-L15 PolarHBondContact O-N 3.35Å; Y13-L15 VanDerWaalsContact O-N 3.09Å; Y13-V31 CarbonylContact C-O 3.52Å; Y13-V31 WeakPolarHBondContact CA-O 3.22Å; Y13-D32 HydrophobicContact CD1-CB 3.8Å; Y13-D32 HydrophobicContact CE1-CB 3.69Å; Y13-V39 HydrophobicContact CD1-CG2 3.86Å; Y13-V39 HydrophobicContact CE1-CG2 4.03Å; Y13-I41 HydrophobicContact CD1-CD1 3.75Å; Y13-I41 HydrophobicContact CD2-CD1 3.82Å; Y13-I41 HydrophobicContact CE1-CD1 4.37Å; Y13-I41 HydrophobicContact CE2-CD1 4.43Å; Y13-I41 HydrophobicContact CG-CD1 3.42Å; Y13-I41 VanDerWaalsContact CG-CD1 3.42Å; Y13-I80 HydrophobicContact CE2-CD1 3.72Å; Y13-V91 HydrophobicContact CE1-CG1 4.09Å; Y13-V91 HydrophobicContact CE2-CG2 4.33Å
14L95.4Very high85.6Confident55 Ų5573.4 Ų73.429%0.28836%0.36SS..EExtended strand (participates in β ladder)trans-77.193.8169.817654.9000108.9R16 A30 V31 R33L14-R16 PolarHBondContact O-N 2.92Å; L14-A30 CarbonylContact O-C 3.53Å; L14-A30 VanDerWaalsContact O-CA 3.29Å; L14-A30 WeakPolarHBondContact O-CA 3.38Å; L14-V31 HydrophobicContact CB-CB 4.44Å; L14-V31 PolarHBondContact N-O 3.36Å; L14-V31 PolarHBondContact O-N 2.97Å; L14-R33 HydrophobicContact CB-CG 4.37Å
15L93.3Very high85.8Confident46 Ų4670.3 Ų70.324%0.24134%0.336CS..EExtended strand (participates in β ladder)trans-56.4135.8172-51.7179.4000109.9V5 V10 Y13 W28 A30 I41V5-L15 HydrophobicContact CB-CD1 4.09Å; V5-L15 HydrophobicContact CG1-CD1 3.99Å; V5-L15 HydrophobicContact CG2-CD1 3.94Å; V10-L15 HydrophobicContact CG2-CD1 4.43Å; Y13-L15 PolarHBondContact O-N 3.35Å; Y13-L15 VanDerWaalsContact O-N 3.09Å; L15-W28 HydrophobicContact CD2-CB 4.25Å; L15-W28 HydrophobicContact CD2-CG 4.45Å; L15-A30 HydrophobicContact CD2-CB 4Å; L15-I41 HydrophobicContact CD2-CD1 4.24Å
16R90.8Very high85.8Confident169 Ų16969.3 Ų69.364%0.63833%0.329SS*.EExtended strand (participates in β ladder)trans-117.4-52.9-177.8-64.2-59.8-161.6156.96113.1L14 K29 V31L14-R16 PolarHBondContact O-N 2.92Å; R16-K29 WeakPolarHBondContact CB-O 3.23Å; R16-K29 PolarHBondContact N-O 2.6Å; R16-V31 HydrophobicContact CG-CG2 4.19Å
17R87.9Confident85.7Confident128 Ų12868.9 Ų68.948%0.48333%0.327SS..EExtended strand (participates in β ladder)trans-145.6128.2-174.6-168-179.173.1-178.20.6109.1L19 W28 K29R17-L19 VanDerWaalsContact NH2-CD2 3.33Å; R17-L19 PolarHBondContact O-N 2.72Å; R17-W28 CarbonylContact O-C 3.55Å; R17-W28 WeakPolarHBondContact O-CA 3.15Å; R17-K29 HydrophobicContact CB-CB 4.47Å; R17-K29 PolarHBondContact N-O 3.37Å; R17-K29 PolarHBondContact O-N 2.9Å
18Q86.8Confident85.7Confident90 Ų9066.5 Ų66.542%0.42131%0.309SS..EExtended strand (participates in β ladder)trans-62.1121.3162.2178.4172.5-21.200107.5Q21 I26Q18-Q21 VanDerWaalsContact NE2-OE1 3.11Å; Q18-I26 VanDerWaalsContact CD-CD1 3.47Å; Q18-I26 HydrophobicContact CG-CD1 4.08Å; Q18-I26 HydrophobicContact CG-CG1 4.16Å
19L80.9Confident85.8Confident22 Ų2260.5 Ų60.512%0.11529%0.288CS..EExtended strand (participates in β ladder)trans-75.3-56.1175.9-68.6172.7000107.3R17 V27 K29 F94 A524 Y525R17-L19 VanDerWaalsContact NH2-CD2 3.33Å; R17-L19 PolarHBondContact O-N 2.72Å; L19-V27 HydrophobicContact CB-CB 4.47Å; L19-V27 HydrophobicContact CD1-CG1 4.19Å; L19-V27 PolarHBondContact N-O 2.83Å; L19-K29 HydrophobicContact CD1-CB 4.13Å; L19-K29 HydrophobicContact CD2-CB 4.06Å; L19-K29 HydrophobicContact CG-CB 4.07Å; L19-F94 HydrophobicContact CD1-CD2 4.36Å; L19-F94 HydrophobicContact CD1-CE2 3.98Å; L19-F94 HydrophobicContact CD2-CE2 4.14Å; L19-A524 CarbonylContact C-O 3.56Å; L19-A524 WeakPolarHBondContact CA-O 3.42Å; L19-A524 HydrophobicContact CB-CB 4.05Å; L19-A524 WeakPolarHBondContact CB-O 3.04Å; L19-Y525 HydrophobicContact CD1-CE1 3.98Å
20G73.4Confident85.9Confident13 Ų1360.3 Ų60.313%0.13429%0.287CS..EExtended strand (participates in β ladder)trans-175.6-170.7168.200000113V27 A524G20-V27 PolarHBondContact N-O 3.31Å; G20-V27 PolarHBondContact O-N 3.01Å; G20-A524 PolarHBondContact N-O 3.31Å
21Q76.7Confident86.1Confident121 Ų12158.7 Ų58.757%0.56528%0.277SS*.EExtended strand (participates in β ladder)trans-152.3131.6-166.7173.7-180-5.800109.9Q18 G25 I26Q18-Q21 VanDerWaalsContact NE2-OE1 3.11Å; Q21-G25 WeakPolarHBondContact CA-O 3.31Å; Q21-I26 HydrophobicContact CB-CB 4.35Å; Q21-I26 HydrophobicContact CB-CD1 4.46Å; Q21-I26 HydrophobicContact CB-CG1 4.25Å; Q21-I26 HydrophobicContact CG-CB 4.34Å
22G68.2Low86.3Confident20 Ų2049.1 Ų49.121%0.20624%0.241CC..EExtended strand (participates in β ladder)trans-120.4-174.2172.400000111.1Y24 G25G22-Y24 PolarHBondContact O-N 2.95Å; G22-G25 PolarHBondContact N-O 3.22Å; G22-G25 VanDerWaalsContact O-O 3.12Å
23A64Low86.4Confident78 Ų7853 Ų5365%0.64526%0.256SS*.THydrogen-bonded Turntrans-64.4-23.8179.600000113.9
24Y71.1Confident86.3Confident82 Ų8261.1 Ų61.132%0.32229%0.286SS..THydrogen-bonded Turntrans-106.1-1-172.2-67.4-98.5000113.6G22 I44 F45 D53 L518G22-Y24 PolarHBondContact O-N 2.95Å; Y24-I44 WeakPolarHBondContact O-CA 3.42Å; Y24-I44 WeakPolarHBondContact O-CG2 3.45Å; Y24-F45 PolarHBondContact O-N 3.25Å; Y24-D53 WeakPolarHBondContact CE1-OD2 3.25Å; Y24-L518 HydrophobicContact CD2-CD2 4.15Å; Y24-L518 HydrophobicContact CE1-CD2 4.18Å; Y24-L518 HydrophobicContact CE2-CD2 3.6Å; Y24-L518 HydrophobicContact CE2-CG 4.48Å
25G81.9Confident86.3Confident13 Ų1361.7 Ų61.713%0.13429%0.292CS..EExtended strand (participates in β ladder)trans165.7-177.9-175.400000115.3Q21 G22 K43 F45Q21-G25 WeakPolarHBondContact CA-O 3.31Å; G22-G25 PolarHBondContact N-O 3.22Å; G22-G25 VanDerWaalsContact O-O 3.12Å; G25-K43 CarbonylContact C-O 2.8Å; G25-K43 WeakPolarHBondContact CA-O 3.48Å; G25-F45 VanDerWaalsContact CA-CD2 3.49Å
26I86.7Confident86.3Confident9 Ų962 Ų625%0.04631%0.306CS..EExtended strand (participates in β ladder)trans-143.6142.1-175.5178.8164.5000109Q18 Q21 W28 K42 K43 F45Q18-I26 VanDerWaalsContact CD-CD1 3.47Å; Q18-I26 HydrophobicContact CG-CD1 4.08Å; Q18-I26 HydrophobicContact CG-CG1 4.16Å; Q21-I26 HydrophobicContact CB-CB 4.35Å; Q21-I26 HydrophobicContact CB-CD1 4.46Å; Q21-I26 HydrophobicContact CB-CG1 4.25Å; Q21-I26 HydrophobicContact CG-CB 4.34Å; I26-W28 HydrophobicContact CB-CH2 4.32Å; I26-W28 HydrophobicContact CB-CZ2 4.3Å; I26-W28 HydrophobicContact CD1-CH2 4.33Å; I26-W28 HydrophobicContact CD1-CZ2 3.51Å; I26-W28 HydrophobicContact CG1-CD2 4.36Å; I26-W28 HydrophobicContact CG1-CH2 4.17Å; I26-W28 HydrophobicContact CG1-CZ2 3.69Å; I26-W28 HydrophobicContact CG2-CH2 3.27Å; I26-W28 HydrophobicContact CG2-CZ2 3.62Å; I26-W28 HydrophobicContact CG2-CZ3 3.85Å; I26-K42 WeakPolarHBondContact O-CA 3.46Å; I26-K43 HydrophobicContact CG2-CB 3.94Å; I26-K43 PolarHBondContact N-O 3.24Å; I26-K43 PolarHBondContact O-N 3.48Å; I26-F45 HydrophobicContact CB-CZ 3.96Å; I26-F45 HydrophobicContact CG2-CE1 3.73Å; I26-F45 HydrophobicContact CG2-CE2 4.42Å; I26-F45 HydrophobicContact CG2-CZ 3.44Å; I26-F45 VanDerWaalsContact CG2-CZ 3.44Å
27V89.4Confident86.5Confident8 Ų859.4 Ų59.45%0.04830%0.301CS..EExtended strand (participates in β ladder)trans-123.9135.8-178.7-1650000110.5L19 G20 A40 I41 K42 A524L19-V27 HydrophobicContact CB-CB 4.47Å; L19-V27 HydrophobicContact CD1-CG1 4.19Å; L19-V27 PolarHBondContact N-O 2.83Å; G20-V27 PolarHBondContact N-O 3.31Å; G20-V27 PolarHBondContact O-N 3.01Å; V27-A40 HydrophobicContact CG1-CB 4.39Å; V27-I41 CarbonylContact C-O 3.57Å; V27-I41 VanDerWaalsContact CA-O 3.24Å; V27-I41 WeakPolarHBondContact CA-O 3.46Å; V27-K42 HydrophobicContact CG1-CB 4.41Å; V27-K42 HydrophobicContact CG2-CB 4.03Å; V27-K42 HydrophobicContact CG2-CG 4.27Å; V27-A524 HydrophobicContact CB-CB 3.6Å; V27-A524 HydrophobicContact CG1-CB 4.43Å; V27-A524 HydrophobicContact CG2-CB 3.58Å
28W91.4Very high86.9Confident22 Ų2256.5 Ų56.58%0.08330%0.298CS..EExtended strand (participates in β ladder)trans-121.9143174.7-55.5-89.7000112V5 L15 R17 I26 A40 I41 K43 Y89V5-W28 HydrophobicContact CG2-CH2 3.38Å; V5-W28 HydrophobicContact CG2-CZ2 3.35Å; V5-W28 HydrophobicContact CG2-CZ3 4.08Å; L15-W28 HydrophobicContact CD2-CB 4.25Å; L15-W28 HydrophobicContact CD2-CG 4.45Å; R17-W28 CarbonylContact O-C 3.55Å; R17-W28 WeakPolarHBondContact O-CA 3.15Å; I26-W28 HydrophobicContact CB-CH2 4.32Å; I26-W28 HydrophobicContact CB-CZ2 4.3Å; I26-W28 HydrophobicContact CD1-CH2 4.33Å; I26-W28 HydrophobicContact CD1-CZ2 3.51Å; I26-W28 HydrophobicContact CG1-CD2 4.36Å; I26-W28 HydrophobicContact CG1-CH2 4.17Å; I26-W28 HydrophobicContact CG1-CZ2 3.69Å; I26-W28 HydrophobicContact CG2-CH2 3.27Å; I26-W28 HydrophobicContact CG2-CZ2 3.62Å; I26-W28 HydrophobicContact CG2-CZ3 3.85Å; W28-A40 WeakPolarHBondContact O-CA 3.33Å; W28-I41 HydrophobicContact CE3-CG2 4.44Å; W28-I41 PolarHBondContact N-O 3.22Å; W28-I41 PolarHBondContact O-N 2.79Å; W28-K43 HydrophobicContact CH2-CB 4.03Å; W28-K43 HydrophobicContact CH2-CD 4.31Å; W28-K43 HydrophobicContact CZ3-CB 3.74Å; W28-Y89 HydrophobicContact CZ3-CE1 4.09Å
29K93Very high87.4Confident54 Ų5452.4 Ų52.424%0.23528%0.279CS..EExtended strand (participates in β ladder)trans-74.1125.7157.6-174.7170.5-163162.60107.4R16 R17 L19 V38 F94R16-K29 WeakPolarHBondContact CB-O 3.23Å; R16-K29 PolarHBondContact N-O 2.6Å; R17-K29 HydrophobicContact CB-CB 4.47Å; R17-K29 PolarHBondContact N-O 3.37Å; R17-K29 PolarHBondContact O-N 2.9Å; L19-K29 HydrophobicContact CD1-CB 4.13Å; L19-K29 HydrophobicContact CD2-CB 4.06Å; L19-K29 HydrophobicContact CG-CB 4.07Å; K29-V38 HydrophobicContact CD-CG1 4.25Å; K29-V38 HydrophobicContact CG-CG1 4Å; K29-F94 HydrophobicContact CB-CD2 4.17Å; K29-F94 HydrophobicContact CB-CE2 3.94Å; K29-F94 HydrophobicContact CD-CD2 3.9Å; K29-F94 HydrophobicContact CD-CE1 4.18Å; K29-F94 HydrophobicContact CD-CE2 3.4Å; K29-F94 HydrophobicContact CD-CG 4.47Å; K29-F94 HydrophobicContact CD-CZ 3.57Å; K29-F94 VanDerWaalsContact CE-CE1 3.46Å; K29-F94 HydrophobicContact CG-CD2 3.69Å; K29-F94 HydrophobicContact CG-CE2 3.63Å; K29-F94 HydrophobicContact CG-CG 4.41Å; K29-F94 HydrophobicContact CG-CZ 4.3Å
30A95.4Very high88Confident0 Ų051.4 Ų51.40%027%0.274CS..EExtended strand (participates in β ladder)trans-135.1174.1178.300000110.9L14 L15 V38 V39 I41L14-A30 CarbonylContact O-C 3.53Å; L14-A30 VanDerWaalsContact O-CA 3.29Å; L14-A30 WeakPolarHBondContact O-CA 3.38Å; L15-A30 HydrophobicContact CD2-CB 4Å; A30-V38 WeakPolarHBondContact O-CA 3.17Å; A30-V39 HydrophobicContact CB-CG2 4.13Å; A30-V39 PolarHBondContact N-O 3.04Å; A30-V39 PolarHBondContact O-N 2.94Å; A30-I41 HydrophobicContact CB-CD1 3.62Å; A30-I41 HydrophobicContact CB-CG1 4.15Å
31V97.1Very high89Confident30 Ų3050.8 Ų50.818%0.18227%0.267CS..EExtended strand (participates in β ladder)trans-122.3125.5169.7-177.10000108.1Y13 L14 R16 R33 G36 E37Y13-V31 CarbonylContact C-O 3.52Å; Y13-V31 WeakPolarHBondContact CA-O 3.22Å; L14-V31 HydrophobicContact CB-CB 4.44Å; L14-V31 PolarHBondContact N-O 3.36Å; L14-V31 PolarHBondContact O-N 2.97Å; R16-V31 HydrophobicContact CG-CG2 4.19Å; V31-R33 PolarHBondContact O-N 3.28Å; V31-G36 WeakPolarHBondContact CG1-O 3.32Å; V31-E37 CarbonylContact C-O 3.56Å; V31-E37 VanDerWaalsContact CA-O 3.26Å; V31-E37 WeakPolarHBondContact CA-O 3.44Å
32D97.1Very high89.8Confident5 Ų545.9 Ų45.93%0.02724%0.244CC..EExtended strand (participates in β ladder)trans-71117.3170.8-169.6-20.4000108.8R12 Y13 R34 T35 G36 E37R12-D32 VanDerWaalsContact CG-OD1 3.31Å; R12-D32 WeakPolarHBondContact CG-OD1 3.38Å; R12-D32 IonicContact CZ-OD2 2.65Å; R12-D32 IonicContact NE-OD1 2.73Å; R12-D32 PolarHBondContact NE-OD1 2.83Å; R12-D32 IonicContact NE-OD2 3.78Å; R12-D32 PolarHBondContact NE-OD2 3.5Å; R12-D32 IonicContact NH2-OD2 3.14Å; R12-D32 PolarHBondContact NH2-OD2 3.17Å; Y13-D32 HydrophobicContact CD1-CB 3.8Å; Y13-D32 HydrophobicContact CE1-CB 3.69Å; D32-R34 PolarHBondContact O-N 3.3Å; D32-R34 VanDerWaalsContact OD1-CB 3.25Å; D32-R34 WeakPolarHBondContact OD1-CB 3.41Å; D32-R34 PolarHBondContact OD1-N 2.89Å; D32-T35 PolarHBondContact O-N 3.27Å; D32-G36 WeakPolarHBondContact O-CA 3.42Å; D32-G36 PolarHBondContact O-N 3.26Å; D32-E37 PolarHBondContact N-O 3.3Å
33R96.3Very high90.9Very high145 Ų14545.1 Ų45.155%0.54724%0.235SC..THydrogen-bonded Turntrans-67-14.6-179.3-62.5166.1-178.8-84.49.8112.7R11 R12 L14 V31R11-R33 VanDerWaalsContact O-CD 3.23Å; R11-R33 WeakPolarHBondContact O-CD 3.27Å; R12-R33 WeakPolarHBondContact O-CB 3.43Å; R12-R33 WeakPolarHBondContact O-CD 3.49Å; R12-R33 WeakPolarHBondContact O-CG 3.31Å; R12-R33 PolarHBondContact O-N 3.23Å; L14-R33 HydrophobicContact CB-CG 4.37Å; V31-R33 PolarHBondContact O-N 3.28Å
34R94.6Very high92.2Very high174 Ų17442 Ų4266%0.65721%0.208SC*.THydrogen-bonded Turntrans-81.7-34.4178.6-173.3-176.964157.73.5113D32D32-R34 PolarHBondContact O-N 3.3Å; D32-R34 VanDerWaalsContact OD1-CB 3.25Å; D32-R34 WeakPolarHBondContact OD1-CB 3.41Å; D32-R34 PolarHBondContact OD1-N 2.89Å
35T95.3Very high93Very high66 Ų6640.1 Ų40.141%0.40520%0.201SC..THydrogen-bonded Turntrans-116-18.7-175.960.20000113.5D32 E37D32-T35 PolarHBondContact O-N 3.27Å; T35-E37 WeakPolarHBondContact CB-OE2 3.25Å; T35-E37 WeakPolarHBondContact CG2-OE2 3.36Å; T35-E37 PolarHBondContact O-N 3.09Å; T35-E37 WeakPolarHBondContact OG1-CB 3.4Å; T35-E37 WeakPolarHBondContact OG1-CG 3.44Å; T35-E37 PolarHBondContact OG1-N 3.39Å; T35-E37 PolarHBondContact OG1-OE2 3.48Å
36G94.8Very high93.4Very high52 Ų5242.6 Ų42.654%0.53621%0.211SC..  trans81-2.8-172.300000113.8V31 D32V31-G36 WeakPolarHBondContact CG1-O 3.32Å; D32-G36 WeakPolarHBondContact O-CA 3.42Å; D32-G36 PolarHBondContact O-N 3.26Å
37E95.4Very high93.4Very high115 Ų11542.2 Ų42.254%0.53721%0.209SC..  trans-75.5150.1-174.4-64.5164.513100112.5V31 D32 T35V31-E37 CarbonylContact C-O 3.56Å; V31-E37 VanDerWaalsContact CA-O 3.26Å; V31-E37 WeakPolarHBondContact CA-O 3.44Å; D32-E37 PolarHBondContact N-O 3.3Å; T35-E37 WeakPolarHBondContact CB-OE2 3.25Å; T35-E37 WeakPolarHBondContact CG2-OE2 3.36Å; T35-E37 PolarHBondContact O-N 3.09Å; T35-E37 WeakPolarHBondContact OG1-CB 3.4Å; T35-E37 WeakPolarHBondContact OG1-CG 3.44Å; T35-E37 PolarHBondContact OG1-N 3.39Å; T35-E37 PolarHBondContact OG1-OE2 3.48Å
38V95.6Very high93.3Very high68 Ų6842.7 Ų42.741%0.41221%0.211SC..EExtended strand (participates in β ladder)trans-89.6123.3177.5-177.10000109K29 A30 F94K29-V38 HydrophobicContact CD-CG1 4.25Å; K29-V38 HydrophobicContact CG-CG1 4Å; A30-V38 WeakPolarHBondContact O-CA 3.17Å; V38-F94 HydrophobicContact CB-CB 4.39Å; V38-F94 HydrophobicContact CG1-CB 3.79Å; V38-F94 HydrophobicContact CG1-CD1 3.88Å; V38-F94 HydrophobicContact CG1-CD2 4.32Å; V38-F94 HydrophobicContact CG1-CG 3.68Å; V38-F94 WeakPolarHBondContact O-CB 3.35Å
39V96Very high93Very high4 Ų450.9 Ų50.92%0.02424%0.242CC..EExtended strand (participates in β ladder)trans-128.3156.5-173.8-62.70000112Y13 A30 I41 L77 V91 F92Y13-V39 HydrophobicContact CD1-CG2 3.86Å; Y13-V39 HydrophobicContact CE1-CG2 4.03Å; A30-V39 HydrophobicContact CB-CG2 4.13Å; A30-V39 PolarHBondContact N-O 3.04Å; A30-V39 PolarHBondContact O-N 2.94Å; V39-I41 HydrophobicContact CG2-CD1 4.33Å; V39-I41 HydrophobicContact CG2-CG1 4.1Å; V39-L77 HydrophobicContact CG1-CD1 3.93Å; V39-V91 HydrophobicContact CB-CG1 3.93Å; V39-V91 HydrophobicContact CG1-CG1 4.28Å; V39-V91 HydrophobicContact CG2-CG1 4.04Å; V39-F92 WeakPolarHBondContact CA-O 3.33Å; V39-F92 WeakPolarHBondContact CB-O 3.36Å
40A94.9Very high92.6Very high0 Ų051.2 Ų51.20%025%0.246CC..EExtended strand (participates in β ladder)trans-101128.4167.700000110V27 W28 V91 F92 Y521 Y525V27-A40 HydrophobicContact CG1-CB 4.39Å; W28-A40 WeakPolarHBondContact O-CA 3.33Å; A40-V91 WeakPolarHBondContact O-CA 3.47Å; A40-F92 HydrophobicContact CB-CB 4.42Å; A40-F92 PolarHBondContact N-O 2.86Å; A40-F92 PolarHBondContact O-N 3.03Å; A40-Y521 WeakPolarHBondContact CB-OH 3.16Å; A40-Y525 VanDerWaalsContact CB-OH 3.24Å; A40-Y525 WeakPolarHBondContact CB-OH 3.36Å
41I94.6Very high92Very high0 Ų055.2 Ų55.20%026%0.264CS..EExtended strand (participates in β ladder)trans-116.3111.6-179.5-56-179.5000108.9I9 Y13 L15 V27 W28 A30 V39 Y89 L90 V91I9-I41 HydrophobicContact CG2-CD1 4.38Å; Y13-I41 HydrophobicContact CD1-CD1 3.75Å; Y13-I41 HydrophobicContact CD2-CD1 3.82Å; Y13-I41 HydrophobicContact CE1-CD1 4.37Å; Y13-I41 HydrophobicContact CE2-CD1 4.43Å; Y13-I41 HydrophobicContact CG-CD1 3.42Å; Y13-I41 VanDerWaalsContact CG-CD1 3.42Å; L15-I41 HydrophobicContact CD2-CD1 4.24Å; V27-I41 CarbonylContact C-O 3.57Å; V27-I41 VanDerWaalsContact CA-O 3.24Å; V27-I41 WeakPolarHBondContact CA-O 3.46Å; W28-I41 HydrophobicContact CE3-CG2 4.44Å; W28-I41 PolarHBondContact N-O 3.22Å; W28-I41 PolarHBondContact O-N 2.79Å; A30-I41 HydrophobicContact CB-CD1 3.62Å; A30-I41 HydrophobicContact CB-CG1 4.15Å; V39-I41 HydrophobicContact CG2-CD1 4.33Å; V39-I41 HydrophobicContact CG2-CG1 4.1Å; I41-Y89 HydrophobicContact CG2-CD1 3.8Å; I41-L90 WeakPolarHBondContact CA-O 3.26Å; I41-V91 HydrophobicContact CG1-CG1 4.26Å; I41-V91 HydrophobicContact CG1-CG2 4.24Å; I41-V91 HydrophobicContact CG2-CG2 4.44Å
42K92Very high91.2Very high18 Ų1857.9 Ų57.98%0.07828%0.28CS..EExtended strand (participates in β ladder)trans-97.5111.2175.6168.7175.8159-171.80109.2I26 V27 I44 E60 Y89 L90 F92 Y521I26-K42 WeakPolarHBondContact O-CA 3.46Å; V27-K42 HydrophobicContact CG1-CB 4.41Å; V27-K42 HydrophobicContact CG2-CB 4.03Å; V27-K42 HydrophobicContact CG2-CG 4.27Å; K42-I44 HydrophobicContact CD-CG1 4.35Å; K42-I44 HydrophobicContact CG-CG1 4.06Å; K42-E60 IonicContact NZ-OE1 2.88Å; K42-E60 PolarHBondContact NZ-OE1 3.04Å; K42-E60 IonicContact NZ-OE2 2.78Å; K42-E60 PolarHBondContact NZ-OE2 2.83Å; K42-Y89 WeakPolarHBondContact O-CA 3.24Å; K42-L90 PolarHBondContact N-O 3.13Å; K42-L90 PolarHBondContact O-N 3.22Å; K42-F92 HydrophobicContact CB-CE2 4.18Å; K42-F92 HydrophobicContact CD-CE2 4.4Å; K42-Y521 HydrophobicContact CB-CE2 4.46Å; K42-Y521 HydrophobicContact CD-CD2 3.69Å; K42-Y521 HydrophobicContact CD-CE2 4.31Å
43K92.3Very high90.6Very high4 Ų459 Ų592%0.01729%0.286CS..EExtended strand (participates in β ladder)trans-86.5116.6164.1-176.7175-169.2151.90107.9A4 D6 G25 I26 W28 F45 D87 I88 Y89A4-K43 PolarHBondContact O-NZ 3.37Å; A4-K43 VanDerWaalsContact O-NZ 3.1Å; D6-K43 IonicContact OD1-NZ 3.77Å; D6-K43 PolarHBondContact OD1-NZ 2.94Å; G25-K43 CarbonylContact C-O 2.8Å; G25-K43 WeakPolarHBondContact CA-O 3.48Å; I26-K43 HydrophobicContact CG2-CB 3.94Å; I26-K43 PolarHBondContact N-O 3.24Å; I26-K43 PolarHBondContact O-N 3.48Å; W28-K43 HydrophobicContact CH2-CB 4.03Å; W28-K43 HydrophobicContact CH2-CD 4.31Å; W28-K43 HydrophobicContact CZ3-CB 3.74Å; K43-F45 HydrophobicContact CD-CD1 4.38Å; K43-F45 HydrophobicContact CD-CE1 4.07Å; K43-F45 HydrophobicContact CG-CD1 4.26Å; K43-F45 HydrophobicContact CG-CE1 4.2Å; K43-D87 WeakPolarHBondContact CE-OD2 3.37Å; K43-D87 HydrophobicContact CG-CB 4.33Å; K43-D87 IonicContact NZ-OD2 3.31Å; K43-D87 PolarHBondContact NZ-OD2 2.83Å; K43-I88 WeakPolarHBondContact CA-O 3.44Å; K43-Y89 HydrophobicContact CB-CD1 3.85Å; K43-Y89 HydrophobicContact CB-CE1 3.71Å; K43-Y89 HydrophobicContact CD-CE1 3.76Å; K43-Y89 HydrophobicContact CD-CE2 4.12Å; K43-Y89 VanDerWaalsContact CD-CZ 3.49Å; K43-Y89 WeakPolarHBondContact CD-OH 3.2Å; K43-Y89 WeakPolarHBondContact CE-OH 3.31Å; K43-Y89 HydrophobicContact CG-CD1 4.25Å; K43-Y89 HydrophobicContact CG-CE1 3.9Å; K43-Y89 HydrophobicContact CG-CE2 4.32Å; K43-Y89 PolarHBondContact NZ-OH 2.84Å
44I90.6Very high90.1Very high13 Ų1352.1 Ų52.17%0.06726%0.26CS..EExtended strand (participates in β ladder)trans-87.5127.7169.3-52.6177.7000107.2Y24 K42 A47 T57 D87 I88 L90Y24-I44 WeakPolarHBondContact O-CA 3.42Å; Y24-I44 WeakPolarHBondContact O-CG2 3.45Å; K42-I44 HydrophobicContact CD-CG1 4.35Å; K42-I44 HydrophobicContact CG-CG1 4.06Å; I44-A47 HydrophobicContact CB-CB 4.04Å; I44-A47 HydrophobicContact CG2-CB 3.63Å; I44-T57 HydrophobicContact CD1-CG2 4.1Å; I44-D87 VanDerWaalsContact O-CA 3.27Å; I44-D87 WeakPolarHBondContact O-CA 3.39Å; I44-D87 VanDerWaalsContact O-CB 3.29Å; I44-D87 WeakPolarHBondContact O-CB 3.44Å; I44-I88 HydrophobicContact CB-CG2 4.03Å; I44-I88 HydrophobicContact CD1-CG2 4.06Å; I44-I88 HydrophobicContact CG1-CG2 4.29Å; I44-I88 PolarHBondContact N-O 3.31Å; I44-I88 PolarHBondContact O-N 3.01Å; I44-I88 VanDerWaalsContact O-N 3.15Å; I44-L90 HydrophobicContact CD1-CD1 3.84Å; I44-L90 HydrophobicContact CD1-CG 4.32Å
45F89.4Confident89.6Confident42 Ų4245.6 Ų45.618%0.18424%0.237CC..SBendtrans-84.2139.7177.9-56.9-43.6000111S3 Y24 G25 I26 K43 A47 D87S3-F45 VanDerWaalsContact OG-CE1 3.27Å; S3-F45 WeakPolarHBondContact OG-CE1 3.41Å; Y24-F45 PolarHBondContact O-N 3.25Å; G25-F45 VanDerWaalsContact CA-CD2 3.49Å; I26-F45 HydrophobicContact CB-CZ 3.96Å; I26-F45 HydrophobicContact CG2-CE1 3.73Å; I26-F45 HydrophobicContact CG2-CE2 4.42Å; I26-F45 HydrophobicContact CG2-CZ 3.44Å; I26-F45 VanDerWaalsContact CG2-CZ 3.44Å; K43-F45 HydrophobicContact CD-CD1 4.38Å; K43-F45 HydrophobicContact CD-CE1 4.07Å; K43-F45 HydrophobicContact CG-CD1 4.26Å; K43-F45 HydrophobicContact CG-CE1 4.2Å; F45-A47 PolarHBondContact O-N 3.21Å; F45-D87 VanDerWaalsContact CA-OD1 3.31Å; F45-D87 WeakPolarHBondContact CA-OD1 3.32Å
46D88.9Confident89.1Confident65 Ų6544.2 Ų44.235%0.34822%0.224SC..SBendtrans50.132.6172-82.3-45.2000113.4F48 R49 R86 D87D46-F48 PolarHBondContact O-N 2.76Å; D46-R49 HydrophobicContact CB-CB 4.05Å; D46-R49 WeakPolarHBondContact O-CB 3.29Å; D46-R49 PolarHBondContact O-N 3.11Å; D46-R86 CarbonylContact C-O 3.52Å; D46-R86 WeakPolarHBondContact OD1-CD 3.3Å; D46-D87 PolarHBondContact N-OD1 3.44Å
47A87.1Confident88.8Confident1 Ų142 Ų421%0.00820%0.2CC..THydrogen-bonded Turntrans-59.5-14.8-16900000115.1I44 F45 D53 A54 T57 R86 I88I44-A47 HydrophobicContact CB-CB 4.04Å; I44-A47 HydrophobicContact CG2-CB 3.63Å; F45-A47 PolarHBondContact O-N 3.21Å; A47-D53 CarbonylContact O-C 3.53Å; A47-A54 VanDerWaalsContact O-CA 3.26Å; A47-A54 WeakPolarHBondContact O-CA 3.24Å; A47-A54 PolarHBondContact O-N 3.03Å; A47-T57 HydrophobicContact CB-CG2 4.2Å; A47-R86 PolarHBondContact N-O 3.13Å; A47-I88 HydrophobicContact CB-CG2 3.86Å
48F88.1Confident88.4Confident19 Ų1936.7 Ų36.78%0.08318%0.176CC..THydrogen-bonded Turntrans-120.220.6177.8-52.4-71.8000113.3D46 A54 T57 R86 I88 A332 R336 V339 Y340D46-F48 PolarHBondContact O-N 2.76Å; F48-A54 HydrophobicContact CD1-CB 4.14Å; F48-T57 HydrophobicContact CZ-CG2 4.47Å; F48-R86 WeakPolarHBondContact CD2-O 2.86Å; F48-I88 HydrophobicContact CE2-CB 4.25Å; F48-I88 HydrophobicContact CE2-CD1 4.42Å; F48-I88 HydrophobicContact CZ-CD1 4.08Å; F48-A332 WeakPolarHBondContact O-CB 3.45Å; F48-R336 HydrophobicContact CB-CB 4.15Å; F48-R336 HydrophobicContact CB-CG 4.35Å; F48-R336 HydrophobicContact CD1-CB 3.52Å; F48-R336 HydrophobicContact CD1-CG 3.97Å; F48-R336 HydrophobicContact CD2-CB 4.16Å; F48-R336 HydrophobicContact CD2-CG 3.67Å; F48-R336 HydrophobicContact CE1-CB 3.9Å; F48-R336 HydrophobicContact CE1-CG 4.16Å; F48-R336 HydrophobicContact CE2-CB 4.49Å; F48-R336 HydrophobicContact CE2-CG 3.88Å; F48-R336 HydrophobicContact CG-CB 3.66Å; F48-R336 HydrophobicContact CG-CG 3.71Å; F48-R336 HydrophobicContact CZ-CB 4.36Å; F48-R336 HydrophobicContact CZ-CG 4.12Å; F48-V339 HydrophobicContact CE1-CG2 4.22Å; F48-V339 HydrophobicContact CZ-CB 4.39Å; F48-V339 HydrophobicContact CZ-CG1 4.46Å; F48-V339 HydrophobicContact CZ-CG2 4.4Å; F48-Y340 AromaticContact CE2-CE1 4Å; F48-Y340 HydrophobicContact CE2-CE1 4Å; F48-Y340 HydrophobicContact CZ-CE1 4.25Å
49R85.1Confident88.1Confident193 Ų19333.9 Ų33.973%0.72816%0.158SC*.SBendtrans-66-43.4-178.7171.7-177.2173.1-154.5-4.4113.4D46D46-R49 HydrophobicContact CB-CB 4.05Å; D46-R49 WeakPolarHBondContact O-CB 3.29Å; D46-R49 PolarHBondContact O-N 3.11Å
50D84.1Confident87.8Confident62 Ų6234 Ų3433%0.33216%0.158SC..SBendtrans-136.9171.2177.573.357.8000112.1T52 D53 A54D50-T52 VanDerWaalsContact C-N 3.3Å; D50-T52 PolarHBondContact O-N 2.96Å; D50-T52 WeakPolarHBondContact OD1-CA 3.46Å; D50-T52 WeakPolarHBondContact OD1-CB 3.49Å; D50-T52 PolarHBondContact OD1-N 2.85Å; D50-D53 PolarHBondContact OD1-N 2.65Å; D50-A54 WeakPolarHBondContact O-CB 3.15Å; D50-A54 PolarHBondContact O-N 3.43Å
51K81.8Confident87.7Confident84 Ų8434 Ų3437%0.36516%0.158SC..Hα-helixtrans-61.8-35.2-174.3-168.7-179.6-172.2-173.10112.8Q55 Q329 L330K51-Q55 WeakPolarHBondContact O-CB 3.48Å; K51-Q55 PolarHBondContact O-N 3.13Å; K51-Q329 VanDerWaalsContact CE-O 3.29Å; K51-Q329 WeakPolarHBondContact CE-O 3.2Å; K51-Q329 PolarHBondContact NZ-O 2.94Å; K51-L330 WeakPolarHBondContact CE-O 3.23Å; K51-L330 WeakPolarHBondContact CG-O 3.38Å
52T81.9Confident87.5Confident86 Ų8635.6 Ų35.653%0.52817%0.166SC..Hα-helixtrans-77.7-47.9-174.8-60.10000110.8D50 Q55 R56D50-T52 VanDerWaalsContact C-N 3.3Å; D50-T52 PolarHBondContact O-N 2.96Å; D50-T52 WeakPolarHBondContact OD1-CA 3.46Å; D50-T52 WeakPolarHBondContact OD1-CB 3.49Å; D50-T52 PolarHBondContact OD1-N 2.85Å; T52-Q55 PolarHBondContact O-N 3.43Å; T52-R56 WeakPolarHBondContact O-CB 3.16Å; T52-R56 PolarHBondContact O-N 3.34Å
53D82.9Confident87.4Confident29 Ų2934.9 Ų34.916%0.15516%0.163CC..Hα-helixtrans-69.3-36177.5-81.4-14.6000111.8Y24 A47 D50 R56 T57Y24-D53 WeakPolarHBondContact CE1-OD2 3.25Å; A47-D53 CarbonylContact O-C 3.53Å; D50-D53 PolarHBondContact OD1-N 2.65Å; D53-R56 PolarHBondContact O-N 2.83Å; D53-T57 WeakPolarHBondContact O-CB 3.42Å; D53-T57 PolarHBondContact O-N 3.19Å; D53-T57 PolarHBondContact O-OG1 2.81Å
54A86.6Confident87.5Confident0 Ų034.9 Ų34.90%016%0.163CC..Hα-helixtrans-63.5-45.3172.800000112.2A47 F48 D50 T57 F58 A332 Y335A47-A54 VanDerWaalsContact O-CA 3.26Å; A47-A54 WeakPolarHBondContact O-CA 3.24Å; A47-A54 PolarHBondContact O-N 3.03Å; F48-A54 HydrophobicContact CD1-CB 4.14Å; D50-A54 WeakPolarHBondContact O-CB 3.15Å; D50-A54 PolarHBondContact O-N 3.43Å; A54-T57 PolarHBondContact O-N 3.2Å; A54-F58 WeakPolarHBondContact O-CB 3.06Å; A54-F58 PolarHBondContact O-N 2.82Å; A54-A332 HydrophobicContact CB-CB 3.71Å; A54-Y335 HydrophobicContact CB-CD2 4.01Å; A54-Y335 HydrophobicContact CB-CG 4.33Å
55Q84.1Confident87.5Confident36 Ų3637.9 Ų37.917%0.16818%0.177CC..Hα-helixtrans-67.3-38176.4-171.3-168.592.700111.9K51 T52 R59 Y335K51-Q55 WeakPolarHBondContact O-CB 3.48Å; K51-Q55 PolarHBondContact O-N 3.13Å; T52-Q55 PolarHBondContact O-N 3.43Å; Q55-R59 VanDerWaalsContact CD-NH2 3.26Å; Q55-R59 VanDerWaalsContact O-CB 3.27Å; Q55-R59 WeakPolarHBondContact O-CB 3.36Å; Q55-R59 PolarHBondContact O-N 3.34Å; Q55-R59 PolarHBondContact O-NH1 3.3Å; Q55-Y335 HydrophobicContact CB-CD2 4.26Å; Q55-Y335 HydrophobicContact CB-CE1 4.34Å; Q55-Y335 HydrophobicContact CB-CE2 3.66Å; Q55-Y335 HydrophobicContact CG-CE1 4.13Å; Q55-Y335 HydrophobicContact CG-CE2 4.08Å; Q55-Y335 WeakPolarHBondContact CG-OH 3.12Å; Q55-Y335 PolarHBondContact NE2-OH 2.83Å; Q55-Y335 VanDerWaalsContact NE2-OH 3.07Å
56R84.3Confident87.5Confident37 Ų3740.1 Ų40.114%0.1419%0.188CC..Hα-helixtrans-59.4-50.8174.1-176.4-179177.5151.54110.3T52 D53 R59 E60 D155T52-R56 WeakPolarHBondContact O-CB 3.16Å; T52-R56 PolarHBondContact O-N 3.34Å; D53-R56 PolarHBondContact O-N 2.83Å; R56-R59 PolarHBondContact O-N 3Å; R56-E60 WeakPolarHBondContact O-CB 3.41Å; R56-E60 PolarHBondContact O-N 3.29Å; R56-D155 IonicContact CZ-OD1 3.2Å; R56-D155 VanDerWaalsContact NH2-CG 3.3Å; R56-D155 IonicContact NH2-OD1 2.73Å; R56-D155 PolarHBondContact NH2-OD1 3.33Å; R56-D155 IonicContact NH2-OD2 3.62Å; R56-D155 PolarHBondContact NH2-OD2 3.38Å; R56-D155 VanDerWaalsContact NH2-OD2 3.14Å
57T88.6Confident87.7Confident5 Ų537.4 Ų37.43%0.03117%0.173CC..Hα-helixtrans-62.2-48.9-179.2-590000111.6I44 A47 F48 D53 A54 R59 E60 I61 I88I44-T57 HydrophobicContact CD1-CG2 4.1Å; A47-T57 HydrophobicContact CB-CG2 4.2Å; F48-T57 HydrophobicContact CZ-CG2 4.47Å; D53-T57 WeakPolarHBondContact O-CB 3.42Å; D53-T57 PolarHBondContact O-N 3.19Å; D53-T57 PolarHBondContact O-OG1 2.81Å; A54-T57 PolarHBondContact O-N 3.2Å; T57-R59 VanDerWaalsContact C-N 3.35Å; T57-R59 PolarHBondContact O-N 2.78Å; T57-E60 PolarHBondContact O-N 2.66Å; T57-I61 HydrophobicContact CG2-CD1 4.02Å; T57-I61 WeakPolarHBondContact O-CG1 3.13Å; T57-I61 PolarHBondContact O-N 3.24Å; T57-I61 VanDerWaalsContact O-N 3.16Å; T57-I88 HydrophobicContact CG2-CG2 3.87Å
58F88.6Confident87.8Confident4 Ų438.9 Ų38.92%0.01819%0.188CC..Hα-helixtrans-56.1-48.1175.5174.3-103.4000111.5A54 I61 M62 A324 L325 Y335 R338 V339A54-F58 WeakPolarHBondContact O-CB 3.06Å; A54-F58 PolarHBondContact O-N 2.82Å; F58-I61 PolarHBondContact O-N 2.96Å; F58-M62 HydrophobicContact CD1-CG 4.11Å; F58-M62 HydrophobicContact CD2-CG 4.01Å; F58-M62 HydrophobicContact CD2-SD 4.42Å; F58-M62 HydrophobicContact CE1-CG 3.74Å; F58-M62 HydrophobicContact CE1-SD 4.38Å; F58-M62 HydrophobicContact CE2-CE 4.16Å; F58-M62 HydrophobicContact CE2-CG 3.63Å; F58-M62 HydrophobicContact CE2-SD 3.58Å; F58-M62 VanDerWaalsContact CE2-SD 3.58Å; F58-M62 HydrophobicContact CG-CG 4.23Å; F58-M62 HydrophobicContact CZ-CG 3.48Å; F58-M62 VanDerWaalsContact CZ-CG 3.48Å; F58-M62 HydrophobicContact CZ-SD 3.55Å; F58-M62 VanDerWaalsContact CZ-SD 3.55Å; F58-M62 WeakPolarHBondContact O-CG 3.35Å; F58-M62 PolarHBondContact O-N 2.9Å; F58-A324 HydrophobicContact CE1-CB 3.8Å; F58-A324 HydrophobicContact CZ-CB 3.53Å; F58-L325 HydrophobicContact CE1-CD2 4.42Å; F58-Y335 HydrophobicContact CB-CD1 3.72Å; F58-Y335 HydrophobicContact CB-CE1 4.42Å; F58-Y335 HydrophobicContact CB-CG 4.35Å; F58-Y335 AromaticContact CD1-CD1 3.67Å; F58-Y335 HydrophobicContact CD1-CD1 3.67Å; F58-Y335 AromaticContact CD1-CE1 3.73Å; F58-Y335 HydrophobicContact CD1-CE1 3.73Å; F58-Y335 HydrophobicContact CD2-CD1 4.28Å; F58-Y335 HydrophobicContact CE1-CD1 4.37Å; F58-Y335 HydrophobicContact CE1-CE1 4.27Å; F58-Y335 AromaticContact CG-CD1 3.62Å; F58-Y335 HydrophobicContact CG-CD1 3.62Å; F58-Y335 HydrophobicContact CG-CE1 4.17Å; F58-R338 HydrophobicContact CD2-CB 4.49Å; F58-R338 HydrophobicContact CE2-CB 3.95Å; F58-V339 HydrophobicContact CB-CG2 4.27Å; F58-V339 HydrophobicContact CD2-CG2 3.77Å
59R87.4Confident87.9Confident10 Ų1043.7 Ų43.74%0.03821%0.214CC..Hα-helixtrans-66.3-40.9-179.2-171-175.2-65.198.1-7.2113.1Q55 R56 T57 I61 M62 L63 A159 R160 L322Q55-R59 VanDerWaalsContact CD-NH2 3.26Å; Q55-R59 VanDerWaalsContact O-CB 3.27Å; Q55-R59 WeakPolarHBondContact O-CB 3.36Å; Q55-R59 PolarHBondContact O-N 3.34Å; Q55-R59 PolarHBondContact O-NH1 3.3Å; R56-R59 PolarHBondContact O-N 3Å; T57-R59 VanDerWaalsContact C-N 3.35Å; T57-R59 PolarHBondContact O-N 2.78Å; R59-I61 VanDerWaalsContact C-N 3.3Å; R59-I61 PolarHBondContact O-N 2.98Å; R59-M62 PolarHBondContact O-N 2.95Å; R59-L63 HydrophobicContact CG-CD1 3.75Å; R59-L63 HydrophobicContact CG-CG 4.09Å; R59-L63 WeakPolarHBondContact O-CB 3.4Å; R59-L63 WeakPolarHBondContact O-CG 3.49Å; R59-L63 PolarHBondContact O-N 2.84Å; R59-A159 WeakPolarHBondContact CD-O 3.42Å; R59-R160 VanDerWaalsContact CZ-NH1 3.33Å; R59-L322 HydrophobicContact CG-CD1 4.02Å
60E90.6Very high88.4Confident5 Ų534.5 Ų34.52%0.02318%0.18CC..Hα-helixtrans-55.9-48.2175.7-167.9-177.4158.500109.8K42 R56 T57 L64K42-E60 IonicContact NZ-OE1 2.88Å; K42-E60 PolarHBondContact NZ-OE1 3.04Å; K42-E60 IonicContact NZ-OE2 2.78Å; K42-E60 PolarHBondContact NZ-OE2 2.83Å; R56-E60 WeakPolarHBondContact O-CB 3.41Å; R56-E60 PolarHBondContact O-N 3.29Å; T57-E60 PolarHBondContact O-N 2.66Å; E60-L64 HydrophobicContact CG-CD1 3.98Å; E60-L64 WeakPolarHBondContact O-CB 3.26Å; E60-L64 VanDerWaalsContact O-CD1 3.25Å; E60-L64 WeakPolarHBondContact O-CD1 3.45Å; E60-L64 WeakPolarHBondContact O-CG 3.28Å; E60-L64 PolarHBondContact O-N 2.91Å
61I92.1Very high89Confident0 Ų033.9 Ų33.90%018%0.179CC..Hα-helixtrans-63.1-52178.4-63.8164.8000111.9T57 F58 R59 L63 L64 Q65 L76 V79 I88 L90 V339 M342T57-I61 HydrophobicContact CG2-CD1 4.02Å; T57-I61 WeakPolarHBondContact O-CG1 3.13Å; T57-I61 PolarHBondContact O-N 3.24Å; T57-I61 VanDerWaalsContact O-N 3.16Å; F58-I61 PolarHBondContact O-N 2.96Å; R59-I61 VanDerWaalsContact C-N 3.3Å; R59-I61 PolarHBondContact O-N 2.98Å; I61-L63 PolarHBondContact O-N 3.08Å; I61-L64 PolarHBondContact O-N 2.88Å; I61-Q65 PolarHBondContact O-N 2.99Å; I61-L76 HydrophobicContact CG2-CD2 4.16Å; I61-V79 HydrophobicContact CD1-CG1 4.18Å; I61-V79 HydrophobicContact CG2-CG2 4.19Å; I61-I88 HydrophobicContact CD1-CD1 4.08Å; I61-L90 HydrophobicContact CD1-CD2 3.9Å; I61-L90 HydrophobicContact CG1-CD1 4.33Å; I61-L90 HydrophobicContact CG1-CD2 3.8Å; I61-V339 HydrophobicContact CD1-CG1 3.79Å; I61-V339 HydrophobicContact CD1-CG2 4.15Å; I61-M342 HydrophobicContact CG2-CE 3.99Å; I61-M342 HydrophobicContact CG2-SD 3.53Å; I61-M342 VanDerWaalsContact CG2-SD 3.53Å
62M90.6Very high89.7Confident35 Ų3530.1 Ų30.117%0.17216%0.163CC..Hα-helixtrans-61.6-44.2-176.2-64.4-76.792.900112.5F58 R59 Q65 E66 L322 M342F58-M62 HydrophobicContact CD1-CG 4.11Å; F58-M62 HydrophobicContact CD2-CG 4.01Å; F58-M62 HydrophobicContact CD2-SD 4.42Å; F58-M62 HydrophobicContact CE1-CG 3.74Å; F58-M62 HydrophobicContact CE1-SD 4.38Å; F58-M62 HydrophobicContact CE2-CE 4.16Å; F58-M62 HydrophobicContact CE2-CG 3.63Å; F58-M62 HydrophobicContact CE2-SD 3.58Å; F58-M62 VanDerWaalsContact CE2-SD 3.58Å; F58-M62 HydrophobicContact CG-CG 4.23Å; F58-M62 HydrophobicContact CZ-CG 3.48Å; F58-M62 VanDerWaalsContact CZ-CG 3.48Å; F58-M62 HydrophobicContact CZ-SD 3.55Å; F58-M62 VanDerWaalsContact CZ-SD 3.55Å; F58-M62 WeakPolarHBondContact O-CG 3.35Å; F58-M62 PolarHBondContact O-N 2.9Å; R59-M62 PolarHBondContact O-N 2.95Å; M62-Q65 PolarHBondContact O-N 3.42Å; M62-E66 WeakPolarHBondContact O-CB 3.43Å; M62-E66 PolarHBondContact O-N 2.85Å; M62-L322 HydrophobicContact CB-CD1 4.5Å; M62-L322 HydrophobicContact CB-CD2 3.76Å; M62-M342 HydrophobicContact CE-CB 4.42Å; M62-M342 HydrophobicContact CE-CG 3.83Å; M62-M342 HydrophobicContact CE-SD 3.29Å; M62-M342 WeakPolarHBondContact CE-SD 3.37Å
63L91.3Very high90.5Very high2 Ų226 Ų261%0.0114%0.138CC..Hα-helixtrans-65.1-43.1179.4-73.2177.4000111.4R59 I61 Q65 E66 F67 V133 F156 A159 V320 L322R59-L63 HydrophobicContact CG-CD1 3.75Å; R59-L63 HydrophobicContact CG-CG 4.09Å; R59-L63 WeakPolarHBondContact O-CB 3.4Å; R59-L63 WeakPolarHBondContact O-CG 3.49Å; R59-L63 PolarHBondContact O-N 2.84Å; I61-L63 PolarHBondContact O-N 3.08Å; L63-Q65 VanDerWaalsContact C-N 3.34Å; L63-Q65 PolarHBondContact O-N 3.32Å; L63-E66 PolarHBondContact O-N 2.76Å; L63-F67 HydrophobicContact CB-CD2 4.49Å; L63-F67 HydrophobicContact CB-CE2 3.76Å; L63-F67 HydrophobicContact CB-CZ 3.81Å; L63-F67 HydrophobicContact CD2-CE1 4.36Å; L63-F67 HydrophobicContact CD2-CZ 3.97Å; L63-F67 HydrophobicContact CG-CZ 4.32Å; L63-F67 WeakPolarHBondContact O-CD1 3.23Å; L63-F67 WeakPolarHBondContact O-CD2 3.41Å; L63-F67 WeakPolarHBondContact O-CG 3.45Å; L63-F67 PolarHBondContact O-N 3.27Å; L63-V133 HydrophobicContact CD2-CG2 4.39Å; L63-F156 HydrophobicContact CB-CB 4.4Å; L63-F156 HydrophobicContact CD1-CB 4.17Å; L63-A159 HydrophobicContact CD1-CB 3.77Å; L63-V320 HydrophobicContact CD2-CG1 3.77Å; L63-L322 HydrophobicContact CD2-CD1 4.01Å; L63-L322 HydrophobicContact CD2-CD2 4.02Å; L63-L322 HydrophobicContact CD2-CG 4.22Å; L63-L322 HydrophobicContact CG-CD1 4.19Å
64L93Very high91.1Very high4 Ų424.7 Ų24.72%0.02113%0.131CC..Hα-helixtrans-62.9-38.5178.3-74.2167.4000112.8E60 I61 G68 I73 I74 L76 F92 F156E60-L64 HydrophobicContact CG-CD1 3.98Å; E60-L64 WeakPolarHBondContact O-CB 3.26Å; E60-L64 VanDerWaalsContact O-CD1 3.25Å; E60-L64 WeakPolarHBondContact O-CD1 3.45Å; E60-L64 WeakPolarHBondContact O-CG 3.28Å; E60-L64 PolarHBondContact O-N 2.91Å; I61-L64 PolarHBondContact O-N 2.88Å; L64-G68 PolarHBondContact O-N 3.1Å; L64-I73 HydrophobicContact CD2-CG2 4.43Å; L64-I74 HydrophobicContact CD2-CG2 3.73Å; L64-I74 VanDerWaalsContact CD2-O 3.29Å; L64-I74 WeakPolarHBondContact CD2-O 3.44Å; L64-L76 HydrophobicContact CB-CB 3.92Å; L64-L76 HydrophobicContact CB-CD2 3.94Å; L64-L76 HydrophobicContact CD1-CB 4.33Å; L64-L76 HydrophobicContact CD1-CD2 4.24Å; L64-F92 HydrophobicContact CD1-CE1 3.68Å; L64-F92 HydrophobicContact CD1-CZ 4.11Å; L64-F156 HydrophobicContact CD2-CD2 3.55Å; L64-F156 HydrophobicContact CD2-CE2 3.73Å; L64-F156 HydrophobicContact CG-CD2 4.03Å
65Q90.6Very high91.5Very high77 Ų7725 Ų2536%0.3613%0.133SC..Hα-helixtrans-65.6-43.1172.2-72.1-175.4-37.600112.2I61 M62 L63 F67 G68 L76 M342I61-Q65 PolarHBondContact O-N 2.99Å; M62-Q65 PolarHBondContact O-N 3.42Å; L63-Q65 VanDerWaalsContact C-N 3.34Å; L63-Q65 PolarHBondContact O-N 3.32Å; Q65-F67 VanDerWaalsContact C-N 3.27Å; Q65-F67 PolarHBondContact O-N 2.93Å; Q65-G68 PolarHBondContact O-N 2.92Å; Q65-L76 HydrophobicContact CG-CD2 4.44Å; Q65-M342 VanDerWaalsContact CD-SD 3.55Å; Q65-M342 PolarHBondContact NE2-SD 2.84Å; Q65-M342 VanDerWaalsContact NE2-SD 3.35Å; Q65-M342 PolarHBondContact OE1-SD 2.92Å
66E90.3Very high92.1Very high89 Ų8924.8 Ų24.842%0.41613%0.133SC..Hα-helixtrans-68.3-24.7-179.8-173.758.1-129.800112.8M62 L63 R316 V320M62-E66 WeakPolarHBondContact O-CB 3.43Å; M62-E66 PolarHBondContact O-N 2.85Å; L63-E66 PolarHBondContact O-N 2.76Å; E66-R316 PolarHBondContact O-NH1 2.78Å; E66-R316 IonicContact OE1-CZ 3.06Å; E66-R316 IonicContact OE1-NH1 3.43Å; E66-R316 IonicContact OE1-NH2 2.71Å; E66-R316 PolarHBondContact OE1-NH2 3.15Å; E66-V320 HydrophobicContact CG-CG1 4.12Å; E66-V320 HydrophobicContact CG-CG2 4.32Å
67F92.3Very high92.5Very high8 Ų827.2 Ų27.24%0.03515%0.148CC..Hα-helixtrans-79.8-28.6175-59-28000113.6L63 Q65 I73 F127 L128 V133 F156 V320L63-F67 HydrophobicContact CB-CD2 4.49Å; L63-F67 HydrophobicContact CB-CE2 3.76Å; L63-F67 HydrophobicContact CB-CZ 3.81Å; L63-F67 HydrophobicContact CD2-CE1 4.36Å; L63-F67 HydrophobicContact CD2-CZ 3.97Å; L63-F67 HydrophobicContact CG-CZ 4.32Å; L63-F67 WeakPolarHBondContact O-CD1 3.23Å; L63-F67 WeakPolarHBondContact O-CD2 3.41Å; L63-F67 WeakPolarHBondContact O-CG 3.45Å; L63-F67 PolarHBondContact O-N 3.27Å; Q65-F67 VanDerWaalsContact C-N 3.27Å; Q65-F67 PolarHBondContact O-N 2.93Å; F67-I73 HydrophobicContact CB-CD1 4.39Å; F67-I73 HydrophobicContact CB-CG2 4.27Å; F67-I73 HydrophobicContact CD2-CD1 4.25Å; F67-I73 HydrophobicContact CD2-CG2 3.97Å; F67-I73 HydrophobicContact CG-CD1 4.28Å; F67-F127 HydrophobicContact CB-CE1 3.93Å; F67-F127 AromaticContact CD1-CE1 3.84Å; F67-F127 HydrophobicContact CD1-CE1 3.84Å; F67-F127 HydrophobicContact CG-CE1 4.13Å; F67-L128 HydrophobicContact CD1-CD2 4.3Å; F67-L128 HydrophobicContact CD2-CD2 4.2Å; F67-L128 HydrophobicContact CE1-CD2 3.66Å; F67-L128 HydrophobicContact CE2-CD2 3.54Å; F67-L128 HydrophobicContact CZ-CD2 3.23Å; F67-V133 HydrophobicContact CE1-CG2 4.33Å; F67-V133 HydrophobicContact CZ-CG1 4.3Å; F67-V133 HydrophobicContact CZ-CG2 4.45Å; F67-F156 HydrophobicContact CD2-CE1 4.38Å; F67-F156 HydrophobicContact CD2-CE2 4.47Å; F67-F156 HydrophobicContact CD2-CZ 4.32Å; F67-F156 AromaticContact CE2-CD1 3.65Å; F67-F156 HydrophobicContact CE2-CD1 3.65Å; F67-F156 HydrophobicContact CE2-CD2 4.32Å; F67-F156 AromaticContact CE2-CE1 3.67Å; F67-F156 HydrophobicContact CE2-CE1 3.67Å; F67-F156 HydrophobicContact CE2-CE2 4.35Å; F67-F156 AromaticContact CE2-CG 3.98Å; F67-F156 HydrophobicContact CE2-CG 3.98Å; F67-F156 HydrophobicContact CE2-CZ 4.04Å; F67-F156 HydrophobicContact CZ-CD1 4.36Å; F67-F156 HydrophobicContact CZ-CE1 4.46Å; F67-V320 HydrophobicContact CE1-CG2 4.35Å
68G88.8Confident92.8Very high31 Ų3128.2 Ų28.232%0.3215%0.153SC..  trans57.1-152.5-177.400000113.1L64 Q65 H70L64-G68 PolarHBondContact O-N 3.1Å; Q65-G68 PolarHBondContact O-N 2.92Å; G68-H70 PolarHBondContact O-N 3.35Å
69D91.8Very high93.1Very high120 Ų12028.5 Ų28.564%0.64216%0.155SC*.SBendtrans-83.148.8-175.3-60.2-58.6000113.6S75D69-S75 WeakPolarHBondContact OD1-CB 3.32Å; D69-S75 PolarHBondContact OD1-OG 3.43Å
70H95.8Very high93.4Very high0 Ų029.3 Ų29.30%016%0.16CC..  trans-63.7128.3171.1177.3-82.9000110G68 N72 I73 F127 W314G68-H70 PolarHBondContact O-N 3.35Å; H70-N72 PolarHBondContact ND1-N 3.06Å; H70-N72 VanDerWaalsContact ND1-N 3.19Å; H70-N72 PolarHBondContact O-N 3.2Å; H70-I73 HydrophobicContact CB-CB 4.22Å; H70-I73 HydrophobicContact CB-CD1 4.26Å; H70-I73 HydrophobicContact CB-CG1 4.48Å; H70-I73 PolarHBondContact O-N 2.71Å; H70-I73 VanDerWaalsContact O-O 3.13Å; H70-F127 HydrophobicContact CB-CD1 4.43Å; H70-F127 HydrophobicContact CB-CE1 4.22Å; H70-F127 HydrophobicContact CB-CZ 4.33Å; H70-F127 AromaticContact CD2-CD1 3.91Å; H70-F127 AromaticContact CD2-CD2 3.42Å; H70-F127 VanDerWaalsContact CD2-CD2 3.42Å; H70-F127 WeakPolarHBondContact CD2-CD2 3.39Å; H70-F127 AromaticContact CD2-CE2 3.91Å; H70-F127 AromaticContact CD2-CG 3.4Å; H70-F127 VanDerWaalsContact CD2-CG 3.4Å; H70-F127 WeakPolarHBondContact CD2-CG 3.27Å; H70-F127 AromaticContact NE2-CG 3.78Å; H70-W314 HydrophobicContact CB-CE3 4.33Å; H70-W314 HydrophobicContact CB-CZ3 4.43Å; H70-W314 AromaticContact CD2-CE3 3.74Å
71P95.8Very high93.5Very high49 Ų4934.7 Ų34.732%0.31818%0.18SC..THydrogen-bonded Turntrans-58.2-27.6-167.320.3-33.6000114.4K152P71-K152 WeakPolarHBondContact O-CD 3.43Å; P71-K152 WeakPolarHBondContact O-CE 3.1Å
72N97.7Very high93.5Very high5 Ų534.7 Ų34.73%0.02718%0.181CC..THydrogen-bonded Turntrans-110.916.6-179-50.5111.3000115.6H70 Q120 A124 V151 L153H70-N72 PolarHBondContact ND1-N 3.06Å; H70-N72 VanDerWaalsContact ND1-N 3.19Å; H70-N72 PolarHBondContact O-N 3.2Å; N72-Q120 WeakPolarHBondContact CB-O 3.26Å; N72-Q120 PolarHBondContact ND2-OE1 3.36Å; N72-A124 HydrophobicContact CB-CB 3.89Å; N72-A124 WeakPolarHBondContact O-CB 3.33Å; N72-V151 WeakPolarHBondContact CA-O 3.42Å; N72-V151 WeakPolarHBondContact CB-O 3.15Å; N72-V151 PolarHBondContact ND2-O 3.15Å; N72-V151 VanDerWaalsContact ND2-O 3.15Å; N72-L153 PolarHBondContact O-N 2.91Å
73I97.6Very high93.5Very high0 Ų037.8 Ų37.80%019%0.194CC..BIsolated β-bridgetrans-120.5142.6172.1-67.7171.4000108.5L64 F67 H70 S75 A124 F127 L128 K152 F156L64-I73 HydrophobicContact CD2-CG2 4.43Å; F67-I73 HydrophobicContact CB-CD1 4.39Å; F67-I73 HydrophobicContact CB-CG2 4.27Å; F67-I73 HydrophobicContact CD2-CD1 4.25Å; F67-I73 HydrophobicContact CD2-CG2 3.97Å; F67-I73 HydrophobicContact CG-CD1 4.28Å; H70-I73 HydrophobicContact CB-CB 4.22Å; H70-I73 HydrophobicContact CB-CD1 4.26Å; H70-I73 HydrophobicContact CB-CG1 4.48Å; H70-I73 PolarHBondContact O-N 2.71Å; H70-I73 VanDerWaalsContact O-O 3.13Å; I73-S75 PolarHBondContact O-N 2.76Å; I73-A124 HydrophobicContact CG1-CB 4.2Å; I73-F127 HydrophobicContact CD1-CD1 3.59Å; I73-F127 HydrophobicContact CD1-CE1 4.09Å; I73-L128 HydrophobicContact CD1-CD2 3.99Å; I73-L128 HydrophobicContact CD1-CG 4.22Å; I73-K152 WeakPolarHBondContact O-CD 3.43Å; I73-K152 PolarHBondContact O-NZ 2.96Å; I73-F156 HydrophobicContact CG1-CZ 4.36Å; I73-F156 HydrophobicContact CG2-CE2 3.8Å; I73-F156 HydrophobicContact CG2-CZ 3.8Å
74I96.1Very high93.4Very high1 Ų141.2 Ų41.21%0.00521%0.213CC..  trans-65122.3-179-165.678.5000111.6L64 F92 E93 M95 L144 K152 L153 C154L64-I74 HydrophobicContact CD2-CG2 3.73Å; L64-I74 VanDerWaalsContact CD2-O 3.29Å; L64-I74 WeakPolarHBondContact CD2-O 3.44Å; I74-F92 HydrophobicContact CG1-CB 4.21Å; I74-F92 HydrophobicContact CG1-CD1 3.7Å; I74-F92 HydrophobicContact CG1-CE1 4.44Å; I74-F92 HydrophobicContact CG1-CG 4.31Å; I74-F92 HydrophobicContact CG2-CD1 4.2Å; I74-F92 HydrophobicContact CG2-CE1 4.15Å; I74-E93 WeakPolarHBondContact CA-OE1 3.32Å; I74-E93 HydrophobicContact CD1-CG 3.4Å; I74-E93 VanDerWaalsContact CD1-CG 3.4Å; I74-E93 HydrophobicContact CG1-CG 4.22Å; I74-M95 HydrophobicContact CD1-CG 3.89Å; I74-L144 HydrophobicContact CD1-CD1 3.82Å; I74-L144 HydrophobicContact CG1-CD1 4.43Å; I74-K152 HydrophobicContact CD1-CB 4.2Å; I74-L153 PolarHBondContact N-O 3.1Å; I74-L153 VanDerWaalsContact N-O 3.11Å; I74-C154 HydrophobicContact CB-CB 4.29Å; I74-C154 HydrophobicContact CG2-CB 3.76Å
75S95.2Very high93Very high8 Ų843.4 Ų43.46%0.05623%0.225CC..  trans-77128.2177-70.50000111.2D69 I73 F92 E93D69-S75 WeakPolarHBondContact OD1-CB 3.32Å; D69-S75 PolarHBondContact OD1-OG 3.43Å; I73-S75 PolarHBondContact O-N 2.76Å; S75-F92 WeakPolarHBondContact O-CA 3.36Å; S75-E93 PolarHBondContact N-OE1 3.45Å; S75-E93 PolarHBondContact O-N 2.93Å
76L95Very high92.8Very high30 Ų3047.2 Ų47.216%0.15724%0.236CC..EExtended strand (participates in β ladder)trans-90.6102.8174.2178.865.4000109.7I61 L64 Q65 V79 L90 F92I61-L76 HydrophobicContact CG2-CD2 4.16Å; L64-L76 HydrophobicContact CB-CB 3.92Å; L64-L76 HydrophobicContact CB-CD2 3.94Å; L64-L76 HydrophobicContact CD1-CB 4.33Å; L64-L76 HydrophobicContact CD1-CD2 4.24Å; Q65-L76 HydrophobicContact CG-CD2 4.44Å; L76-V79 HydrophobicContact CD1-CG2 4.22Å; L76-V79 HydrophobicContact CD2-CG2 3.8Å; L76-V79 HydrophobicContact CG-CG2 4.08Å; L76-L90 HydrophobicContact CD1-CB 4Å; L76-L90 HydrophobicContact CD1-CD2 4.41Å; L76-F92 HydrophobicContact CB-CD1 4.41Å; L76-F92 HydrophobicContact CB-CE1 4.29Å; L76-F92 HydrophobicContact CD1-CD1 4.14Å; L76-F92 HydrophobicContact CD1-CE1 3.79Å; L76-F92 HydrophobicContact CD1-CE2 4.23Å; L76-F92 HydrophobicContact CD1-CZ 3.85Å
77L94.4Very high92.8Very high88 Ų8843.4 Ų43.446%0.46122%0.218SC..EExtended strand (participates in β ladder)trans-83.4-31-170.8-53.7-179.1000114.3V39 V91 F92V39-L77 HydrophobicContact CG1-CD1 3.93Å; L77-V91 PolarHBondContact N-O 3Å; L77-F92 VanDerWaalsContact CD1-C 3.49Å
78D93.8Very high92.9Very high26 Ų2643 Ų4314%0.13922%0.217CC..EExtended strand (participates in β ladder)trans-157.6154.2177.4-153.2-25.3000111.5R12 I80 V91R12-D78 IonicContact CZ-OD2 3.19Å; R12-D78 IonicContact NH1-OD2 2.92Å; R12-D78 PolarHBondContact NH1-OD2 3.24Å; R12-D78 IonicContact NH2-OD2 3.67Å; R12-D78 PolarHBondContact NH2-OD2 2.76Å; D78-I80 HydrophobicContact CB-CD1 4.49Å; D78-I80 HydrophobicContact CB-CG1 4.41Å; D78-V91 HydrophobicContact CB-CB 3.88Å; D78-V91 HydrophobicContact CB-CG2 4.04Å; D78-V91 PolarHBondContact N-O 3.31Å; D78-V91 PolarHBondContact O-N 2.91Å
79V94.5Very high93.2Very high10 Ų1041.6 Ų41.66%0.06120%0.202CC..EExtended strand (participates in β ladder)trans-130.8117.4176.3-174.40000108.3I61 L76 I88 L90 V339 M342 I343I61-V79 HydrophobicContact CD1-CG1 4.18Å; I61-V79 HydrophobicContact CG2-CG2 4.19Å; L76-V79 HydrophobicContact CD1-CG2 4.22Å; L76-V79 HydrophobicContact CD2-CG2 3.8Å; L76-V79 HydrophobicContact CG-CG2 4.08Å; V79-I88 HydrophobicContact CG1-CD1 3.74Å; V79-I88 HydrophobicContact CG1-CG1 4.3Å; V79-L90 HydrophobicContact CB-CD2 4.47Å; V79-L90 HydrophobicContact CG1-CD2 3.86Å; V79-L90 HydrophobicContact CG2-CD2 4.16Å; V79-V339 HydrophobicContact CG1-CG1 4.33Å; V79-M342 HydrophobicContact CB-CE 4.04Å; V79-M342 HydrophobicContact CG1-CE 4.07Å; V79-M342 HydrophobicContact CG2-CE 4.15Å; V79-I343 HydrophobicContact CB-CG1 4.03Å; V79-I343 HydrophobicContact CG1-CD1 3.89Å; V79-I343 HydrophobicContact CG1-CG1 3.8Å; V79-I343 WeakPolarHBondContact O-CG1 3.42Å
80I93.9Very high93.3Very high28 Ų2835.9 Ų35.914%0.14417%0.171CC..EExtended strand (participates in β ladder)trans-127.3114-169.3-50.8173.2000109.7I9 Y13 D78 A82 Y89 V91I9-I80 HydrophobicContact CD1-CB 4.14Å; I9-I80 HydrophobicContact CD1-CD1 3.8Å; I9-I80 HydrophobicContact CD1-CG2 3.81Å; Y13-I80 HydrophobicContact CE2-CD1 3.72Å; D78-I80 HydrophobicContact CB-CD1 4.49Å; D78-I80 HydrophobicContact CB-CG1 4.41Å; I80-A82 PolarHBondContact O-N 3.01Å; I80-Y89 PolarHBondContact N-O 2.9Å; I80-Y89 WeakPolarHBondContact O-CB 3.39Å; I80-Y89 PolarHBondContact O-N 3.42Å; I80-V91 HydrophobicContact CD1-CG2 4.17Å
81R92.9Very high93.3Very high117 Ų11736 Ų3644%0.44217%0.172SC..EExtended strand (participates in β ladder)trans-55.9129.5169168.5175.9177.3-177.1-1.6110.3D85 Y340 I343R81-D85 IonicContact CZ-OD1 3.59Å; R81-D85 IonicContact CZ-OD2 3.35Å; R81-D85 IonicContact NE-OD1 3.52Å; R81-D85 PolarHBondContact NE-OD1 3.06Å; R81-D85 IonicContact NH2-OD1 3.54Å; R81-D85 PolarHBondContact NH2-OD1 3.01Å; R81-D85 IonicContact NH2-OD2 2.79Å; R81-D85 PolarHBondContact NH2-OD2 2.86Å; R81-Y340 HydrophobicContact CB-CD1 4.27Å; R81-Y340 HydrophobicContact CB-CE1 3.93Å; R81-Y340 VanDerWaalsContact CD-CE2 3.46Å; R81-Y340 HydrophobicContact CG-CD1 4.44Å; R81-Y340 HydrophobicContact CG-CE1 3.88Å; R81-Y340 HydrophobicContact CG-CE2 3.95Å; R81-I343 HydrophobicContact CB-CD1 4.29Å
82A92.4Very high93.3Very high1 Ų133.7 Ų33.71%0.00816%0.157CC..  trans-75.7155.7172.100000111.6D6 I80 N84 D85 D87 Y89D6-A82 WeakPolarHBondContact OD2-CA 3.2Å; D6-A82 WeakPolarHBondContact OD2-CB 3.45Å; I80-A82 PolarHBondContact O-N 3.01Å; A82-N84 PolarHBondContact O-N 3.39Å; A82-D85 PolarHBondContact O-N 2.66Å; A82-D87 HydrophobicContact CB-CB 3.67Å; A82-D87 WeakPolarHBondContact CB-O 3.45Å; A82-Y89 HydrophobicContact CB-CD2 4.05Å; A82-Y89 HydrophobicContact CB-CE2 3.83Å
83E90.2Very high93.1Very high99 Ų9935.6 Ų35.646%0.46317%0.165SC..THydrogen-bonded Turntrans-70.9-10.1-178.4-63.9-175.8158.300113.5D6 P7 R8D6-E83 HydrophobicContact CB-CG 4.21Å; D6-E83 PolarHBondContact OD2-N 2.84Å; P7-E83 WeakPolarHBondContact CD-OE2 3.46Å; R8-E83 WeakPolarHBondContact CD-OE1 3.01Å; R8-E83 VanDerWaalsContact CG-OE1 3.25Å; R8-E83 WeakPolarHBondContact CG-OE1 3.26Å; R8-E83 IonicContact CZ-OE1 2.94Å; R8-E83 IonicContact NE-OE1 3.8Å; R8-E83 PolarHBondContact NE-OE1 3.37Å
84N88.9Confident92.9Very high74 Ų7437 Ų3740%0.39617%0.172SC..THydrogen-bonded Turntrans-97.10.1177.471.25.5000114.7A82 R86 D87A82-N84 PolarHBondContact O-N 3.39Å; N84-R86 PolarHBondContact O-N 2.93Å; N84-R86 PolarHBondContact OD1-N 2.96Å; N84-R86 VanDerWaalsContact OD1-N 3.1Å; N84-D87 VanDerWaalsContact ND2-CG 3.29Å; N84-D87 PolarHBondContact ND2-OD2 3.08Å; N84-D87 PolarHBondContact OD1-N 3.43Å
85D84.4Confident92.8Very high51 Ų5137.1 Ų37.127%0.27317%0.172SC..SBendtrans54.917.2-179.2-69.5-12.7000116.4R81 A82 R336R81-D85 IonicContact CZ-OD1 3.59Å; R81-D85 IonicContact CZ-OD2 3.35Å; R81-D85 IonicContact NE-OD1 3.52Å; R81-D85 PolarHBondContact NE-OD1 3.06Å; R81-D85 IonicContact NH2-OD1 3.54Å; R81-D85 PolarHBondContact NH2-OD1 3.01Å; R81-D85 IonicContact NH2-OD2 2.79Å; R81-D85 PolarHBondContact NH2-OD2 2.86Å; A82-D85 PolarHBondContact O-N 2.66Å; D85-R336 WeakPolarHBondContact O-CD 3.43Å; D85-R336 PolarHBondContact O-NH1 3.13Å
86R86.7Confident92.5Very high156 Ų15639.3 Ų39.359%0.58918%0.183SC*.SBendtrans-117.9-44.7176.9-63.3179.7-168.4-162.51.2111.7D46 A47 F48 N84D46-R86 CarbonylContact C-O 3.52Å; D46-R86 WeakPolarHBondContact OD1-CD 3.3Å; A47-R86 PolarHBondContact N-O 3.13Å; F48-R86 WeakPolarHBondContact CD2-O 2.86Å; N84-R86 PolarHBondContact O-N 2.93Å; N84-R86 PolarHBondContact OD1-N 2.96Å; N84-R86 VanDerWaalsContact OD1-N 3.1Å
87D91.6Very high92.2Very high10 Ų1038 Ų385%0.05318%0.176CC..  trans-83.9164.8179.2-56.9-22.2000111.1K43 I44 F45 D46 A82 N84K43-D87 WeakPolarHBondContact CE-OD2 3.37Å; K43-D87 HydrophobicContact CG-CB 4.33Å; K43-D87 IonicContact NZ-OD2 3.31Å; K43-D87 PolarHBondContact NZ-OD2 2.83Å; I44-D87 VanDerWaalsContact O-CA 3.27Å; I44-D87 WeakPolarHBondContact O-CA 3.39Å; I44-D87 VanDerWaalsContact O-CB 3.29Å; I44-D87 WeakPolarHBondContact O-CB 3.44Å; F45-D87 VanDerWaalsContact CA-OD1 3.31Å; F45-D87 WeakPolarHBondContact CA-OD1 3.32Å; D46-D87 PolarHBondContact N-OD1 3.44Å; A82-D87 HydrophobicContact CB-CB 3.67Å; A82-D87 WeakPolarHBondContact CB-O 3.45Å; N84-D87 VanDerWaalsContact ND2-CG 3.29Å; N84-D87 PolarHBondContact ND2-OD2 3.08Å; N84-D87 PolarHBondContact OD1-N 3.43Å
88I93.2Very high92.1Very high0 Ų033.9 Ų33.90%016%0.155CC..EExtended strand (participates in β ladder)trans-141.9144.6167.7-166163.4000111.1K43 I44 A47 F48 T57 I61 V79 L90 V339K43-I88 WeakPolarHBondContact CA-O 3.44Å; I44-I88 HydrophobicContact CB-CG2 4.03Å; I44-I88 HydrophobicContact CD1-CG2 4.06Å; I44-I88 HydrophobicContact CG1-CG2 4.29Å; I44-I88 PolarHBondContact N-O 3.31Å; I44-I88 PolarHBondContact O-N 3.01Å; I44-I88 VanDerWaalsContact O-N 3.15Å; A47-I88 HydrophobicContact CB-CG2 3.86Å; F48-I88 HydrophobicContact CE2-CB 4.25Å; F48-I88 HydrophobicContact CE2-CD1 4.42Å; F48-I88 HydrophobicContact CZ-CD1 4.08Å; T57-I88 HydrophobicContact CG2-CG2 3.87Å; I61-I88 HydrophobicContact CD1-CD1 4.08Å; V79-I88 HydrophobicContact CG1-CD1 3.74Å; V79-I88 HydrophobicContact CG1-CG1 4.3Å; I88-L90 HydrophobicContact CG1-CD2 4.42Å; I88-V339 HydrophobicContact CD1-CG1 3.53Å
89Y94.6Very high92.2Very high0 Ų032.6 Ų32.60%015%0.148CC..EExtended strand (participates in β ladder)trans-102.7124.2173.8-68.4-94.8000109.9V5 D6 I9 W28 I41 K42 K43 I80 A82V5-Y89 WeakPolarHBondContact CA-OH 3.49Å; V5-Y89 HydrophobicContact CG1-CE1 4.11Å; D6-Y89 HydrophobicContact CB-CE2 4.24Å; D6-Y89 PolarHBondContact N-OH 3.14Å; D6-Y89 VanDerWaalsContact N-OH 3.08Å; D6-Y89 PolarHBondContact OD1-OH 3.18Å; I9-Y89 HydrophobicContact CB-CE1 4.49Å; I9-Y89 HydrophobicContact CD1-CD1 4.01Å; I9-Y89 HydrophobicContact CD1-CD2 4Å; I9-Y89 HydrophobicContact CD1-CE1 4.39Å; I9-Y89 HydrophobicContact CD1-CE2 4.4Å; I9-Y89 HydrophobicContact CD1-CG 3.77Å; I9-Y89 HydrophobicContact CG1-CD1 3.99Å; I9-Y89 HydrophobicContact CG1-CD2 4Å; I9-Y89 HydrophobicContact CG1-CE1 3.85Å; I9-Y89 HydrophobicContact CG1-CE2 3.89Å; I9-Y89 HydrophobicContact CG1-CG 4.04Å; I9-Y89 HydrophobicContact CG2-CD1 4.48Å; I9-Y89 HydrophobicContact CG2-CE1 4.28Å; W28-Y89 HydrophobicContact CZ3-CE1 4.09Å; I41-Y89 HydrophobicContact CG2-CD1 3.8Å; K42-Y89 WeakPolarHBondContact O-CA 3.24Å; K43-Y89 HydrophobicContact CB-CD1 3.85Å; K43-Y89 HydrophobicContact CB-CE1 3.71Å; K43-Y89 HydrophobicContact CD-CE1 3.76Å; K43-Y89 HydrophobicContact CD-CE2 4.12Å; K43-Y89 VanDerWaalsContact CD-CZ 3.49Å; K43-Y89 WeakPolarHBondContact CD-OH 3.2Å; K43-Y89 WeakPolarHBondContact CE-OH 3.31Å; K43-Y89 HydrophobicContact CG-CD1 4.25Å; K43-Y89 HydrophobicContact CG-CE1 3.9Å; K43-Y89 HydrophobicContact CG-CE2 4.32Å; K43-Y89 PolarHBondContact NZ-OH 2.84Å; I80-Y89 PolarHBondContact N-O 2.9Å; I80-Y89 WeakPolarHBondContact O-CB 3.39Å; I80-Y89 PolarHBondContact O-N 3.42Å; A82-Y89 HydrophobicContact CB-CD2 4.05Å; A82-Y89 HydrophobicContact CB-CE2 3.83Å
90L94.1Very high92.1Very high0 Ų033.8 Ų33.80%015%0.154CC..EExtended strand (participates in β ladder)trans-108131.2170.3-55.8-173.5000108.5I41 K42 I44 I61 L76 V79 I88 F92I41-L90 WeakPolarHBondContact CA-O 3.26Å; K42-L90 PolarHBondContact N-O 3.13Å; K42-L90 PolarHBondContact O-N 3.22Å; I44-L90 HydrophobicContact CD1-CD1 3.84Å; I44-L90 HydrophobicContact CD1-CG 4.32Å; I61-L90 HydrophobicContact CD1-CD2 3.9Å; I61-L90 HydrophobicContact CG1-CD1 4.33Å; I61-L90 HydrophobicContact CG1-CD2 3.8Å; L76-L90 HydrophobicContact CD1-CB 4Å; L76-L90 HydrophobicContact CD1-CD2 4.41Å; V79-L90 HydrophobicContact CB-CD2 4.47Å; V79-L90 HydrophobicContact CG1-CD2 3.86Å; V79-L90 HydrophobicContact CG2-CD2 4.16Å; I88-L90 HydrophobicContact CG1-CD2 4.42Å; L90-F92 HydrophobicContact CB-CD2 4.19Å; L90-F92 HydrophobicContact CB-CE2 3.38Å; L90-F92 HydrophobicContact CB-CZ 3.92Å; L90-F92 HydrophobicContact CD1-CE2 4.24Å; L90-F92 HydrophobicContact CD1-CZ 4.06Å; L90-F92 HydrophobicContact CG-CE2 4.46Å
91V95.8Very high91.9Very high2 Ų232.6 Ų32.61%0.01215%0.148CC..EExtended strand (participates in β ladder)trans-113.4130.3-180-173.70000108.9Y13 V39 A40 I41 L77 D78 I80Y13-V91 HydrophobicContact CE1-CG1 4.09Å; Y13-V91 HydrophobicContact CE2-CG2 4.33Å; V39-V91 HydrophobicContact CB-CG1 3.93Å; V39-V91 HydrophobicContact CG1-CG1 4.28Å; V39-V91 HydrophobicContact CG2-CG1 4.04Å; A40-V91 WeakPolarHBondContact O-CA 3.47Å; I41-V91 HydrophobicContact CG1-CG1 4.26Å; I41-V91 HydrophobicContact CG1-CG2 4.24Å; I41-V91 HydrophobicContact CG2-CG2 4.44Å; L77-V91 PolarHBondContact N-O 3Å; D78-V91 HydrophobicContact CB-CB 3.88Å; D78-V91 HydrophobicContact CB-CG2 4.04Å; D78-V91 PolarHBondContact N-O 3.31Å; D78-V91 PolarHBondContact O-N 2.91Å; I80-V91 HydrophobicContact CD1-CG2 4.17Å
92F95.5Very high91.8Very high1 Ų127.3 Ų27.30%0.00413%0.129CC..EExtended strand (participates in β ladder)trans-130.7164.7-173.5-62.5-94.3000110.7V39 A40 K42 L64 I74 S75 L76 L77 L90 Y521V39-F92 WeakPolarHBondContact CA-O 3.33Å; V39-F92 WeakPolarHBondContact CB-O 3.36Å; A40-F92 HydrophobicContact CB-CB 4.42Å; A40-F92 PolarHBondContact N-O 2.86Å; A40-F92 PolarHBondContact O-N 3.03Å; K42-F92 HydrophobicContact CB-CE2 4.18Å; K42-F92 HydrophobicContact CD-CE2 4.4Å; L64-F92 HydrophobicContact CD1-CE1 3.68Å; L64-F92 HydrophobicContact CD1-CZ 4.11Å; I74-F92 HydrophobicContact CG1-CB 4.21Å; I74-F92 HydrophobicContact CG1-CD1 3.7Å; I74-F92 HydrophobicContact CG1-CE1 4.44Å; I74-F92 HydrophobicContact CG1-CG 4.31Å; I74-F92 HydrophobicContact CG2-CD1 4.2Å; I74-F92 HydrophobicContact CG2-CE1 4.15Å; S75-F92 WeakPolarHBondContact O-CA 3.36Å; L76-F92 HydrophobicContact CB-CD1 4.41Å; L76-F92 HydrophobicContact CB-CE1 4.29Å; L76-F92 HydrophobicContact CD1-CD1 4.14Å; L76-F92 HydrophobicContact CD1-CE1 3.79Å; L76-F92 HydrophobicContact CD1-CE2 4.23Å; L76-F92 HydrophobicContact CD1-CZ 3.85Å; L77-F92 VanDerWaalsContact CD1-C 3.49Å; L90-F92 HydrophobicContact CB-CD2 4.19Å; L90-F92 HydrophobicContact CB-CE2 3.38Å; L90-F92 HydrophobicContact CB-CZ 3.92Å; L90-F92 HydrophobicContact CD1-CE2 4.24Å; L90-F92 HydrophobicContact CD1-CZ 4.06Å; L90-F92 HydrophobicContact CG-CE2 4.46Å; F92-Y521 WeakPolarHBondContact CB-OH 3.36Å; F92-Y521 HydrophobicContact CD1-CE2 4.41Å; F92-Y521 AromaticContact CD2-CE2 3.5Å; F92-Y521 HydrophobicContact CD2-CE2 3.5Å; F92-Y521 HydrophobicContact CE1-CE2 4.41Å; F92-Y521 HydrophobicContact CE2-CD2 4.13Å; F92-Y521 AromaticContact CE2-CE2 3.52Å; F92-Y521 HydrophobicContact CE2-CE2 3.52Å; F92-Y521 AromaticContact CG-CE2 3.96Å; F92-Y521 HydrophobicContact CG-CE2 3.96Å; F92-Y521 HydrophobicContact CZ-CD2 4.35Å; F92-Y521 AromaticContact CZ-CE2 4Å; F92-Y521 HydrophobicContact CZ-CE2 4Å
93E94.4Very high91.8Very high45 Ų4527.7 Ų27.721%0.2113%0.131CC..EExtended strand (participates in β ladder)trans-55.5151.1161.769.9-169.5131.200111.1I74 S75 M95 K152I74-E93 WeakPolarHBondContact CA-OE1 3.32Å; I74-E93 HydrophobicContact CD1-CG 3.4Å; I74-E93 VanDerWaalsContact CD1-CG 3.4Å; I74-E93 HydrophobicContact CG1-CG 4.22Å; S75-E93 PolarHBondContact N-OE1 3.45Å; S75-E93 PolarHBondContact O-N 2.93Å; E93-M95 HydrophobicContact CG-SD 4.45Å; E93-K152 VanDerWaalsContact CD-CE 3.48Å; E93-K152 VanDerWaalsContact CD-NZ 3.27Å; E93-K152 WeakPolarHBondContact OE1-CD 3.35Å; E93-K152 WeakPolarHBondContact OE1-CE 3.17Å; E93-K152 IonicContact OE1-NZ 3.96Å; E93-K152 PolarHBondContact OE1-NZ 3Å; E93-K152 WeakPolarHBondContact OE2-CE 3.39Å; E93-K152 IonicContact OE2-NZ 3.86Å; E93-K152 PolarHBondContact OE2-NZ 2.83Å
94F94.2Very high91.9Very high30 Ų3031 Ų3113%0.13214%0.139CC..PPolyproline II helixtrans-93.1120.9-179.3173.6-91.5000111.6L19 K29 V38 D96L19-F94 HydrophobicContact CD1-CD2 4.36Å; L19-F94 HydrophobicContact CD1-CE2 3.98Å; L19-F94 HydrophobicContact CD2-CE2 4.14Å; K29-F94 HydrophobicContact CB-CD2 4.17Å; K29-F94 HydrophobicContact CB-CE2 3.94Å; K29-F94 HydrophobicContact CD-CD2 3.9Å; K29-F94 HydrophobicContact CD-CE1 4.18Å; K29-F94 HydrophobicContact CD-CE2 3.4Å; K29-F94 HydrophobicContact CD-CG 4.47Å; K29-F94 HydrophobicContact CD-CZ 3.57Å; K29-F94 VanDerWaalsContact CE-CE1 3.46Å; K29-F94 HydrophobicContact CG-CD2 3.69Å; K29-F94 HydrophobicContact CG-CE2 3.63Å; K29-F94 HydrophobicContact CG-CG 4.41Å; K29-F94 HydrophobicContact CG-CZ 4.3Å; V38-F94 HydrophobicContact CB-CB 4.39Å; V38-F94 HydrophobicContact CG1-CB 3.79Å; V38-F94 HydrophobicContact CG1-CD1 3.88Å; V38-F94 HydrophobicContact CG1-CD2 4.32Å; V38-F94 HydrophobicContact CG1-CG 3.68Å; V38-F94 WeakPolarHBondContact O-CB 3.35Å; F94-D96 HydrophobicContact CE1-CB 4.49Å; F94-D96 WeakPolarHBondContact CE1-OD1 3.45Å
95M93.4Very high91.8Very high4 Ų431 Ų312%0.0214%0.136CC..PPolyproline II helixtrans-101.7150.3169.1-55.4-55.7-72.500110.4I74 E93 L144 D146 T150 K152 Y525I74-M95 HydrophobicContact CD1-CG 3.89Å; E93-M95 HydrophobicContact CG-SD 4.45Å; M95-L144 HydrophobicContact CB-CB 3.89Å; M95-L144 HydrophobicContact CE-CB 4.41Å; M95-L144 HydrophobicContact CG-CB 3.77Å; M95-L144 HydrophobicContact CG-CD1 4Å; M95-L144 HydrophobicContact CG-CG 4.49Å; M95-D146 HydrophobicContact CE-CB 3.91Å; M95-T150 VanDerWaalsContact CE-O 3.32Å; M95-T150 WeakPolarHBondContact CE-O 3.47Å; M95-K152 HydrophobicContact CE-CB 3.87Å; M95-K152 HydrophobicContact CE-CG 3.51Å; M95-K152 HydrophobicContact CG-CB 4.36Å; M95-K152 HydrophobicContact CG-CG 4.48Å; M95-K152 HydrophobicContact SD-CB 4.15Å; M95-K152 HydrophobicContact SD-CG 3.66Å; M95-Y525 HydrophobicContact CB-CE1 4.26Å; M95-Y525 WeakPolarHBondContact O-CD1 3.48Å; M95-Y525 WeakPolarHBondContact O-CE1 2.94Å
96D88.1Confident91.9Very high54 Ų5430.4 Ų30.429%0.28914%0.142SC..SBendtrans-77.5-35.4-177.2-80.1-66.1000113.3F94 L145 A147F94-D96 HydrophobicContact CE1-CB 4.49Å; F94-D96 WeakPolarHBondContact CE1-OD1 3.45Å; D96-L145 PolarHBondContact N-O 3.11Å; D96-A147 PolarHBondContact OD2-N 3.15Å
97T89.9Confident91.6Very high1 Ų126.9 Ų26.91%0.00615%0.154CC..EExtended strand (participates in β ladder)trans-156179.4-171.6-1560000113.7V102 L144 L145 G526 V528T97-V102 HydrophobicContact CG2-CG2 3.6Å; T97-L144 WeakPolarHBondContact O-CA 3.32Å; T97-L145 HydrophobicContact CG2-CB 3.81Å; T97-L145 HydrophobicContact CG2-CD1 4.49Å; T97-L145 PolarHBondContact N-O 2.85Å; T97-L145 PolarHBondContact O-N 3.26Å; T97-G526 WeakPolarHBondContact CB-O 3.38Å; T97-G526 PolarHBondContact OG1-O 3.43Å; T97-V528 HydrophobicContact CG2-CG2 3.4Å
98D91.8Very high91.1Very high2 Ų227 Ų271%0.01115%0.154CC..EExtended strand (participates in β ladder)trans-112.9152.2166.372.498.9000112N100 A101 V102 S141 L144D98-N100 VanDerWaalsContact C-N 3.26Å; D98-N100 PolarHBondContact O-N 2.92Å; D98-N100 VanDerWaalsContact OD1-CA 3.32Å; D98-N100 WeakPolarHBondContact OD1-CA 3.39Å; D98-N100 VanDerWaalsContact OD1-CB 3.24Å; D98-N100 WeakPolarHBondContact OD1-CB 3.22Å; D98-N100 PolarHBondContact OD1-N 2.87Å; D98-N100 PolarHBondContact OD1-ND2 2.87Å; D98-A101 WeakPolarHBondContact O-CB 3.5Å; D98-A101 PolarHBondContact O-N 2.72Å; D98-A101 PolarHBondContact OD1-N 2.87Å; D98-A101 VanDerWaalsContact OD2-CB 3.23Å; D98-A101 WeakPolarHBondContact OD2-CB 3.5Å; D98-V102 PolarHBondContact O-N 3.2Å; D98-V102 VanDerWaalsContact O-N 3.13Å; D98-S141 WeakPolarHBondContact CB-O 3.23Å; D98-L144 HydrophobicContact CB-CD2 4.41Å
99L94.9Very high90.9Very high0 Ų028.9 Ų28.90%016%0.164CC..Hα-helixtrans-61.8-30.5-178.6173.867.4000112.2V102 I103 L109 I117 P140 V143 L145 I207 M211L99-V102 PolarHBondContact O-N 3.4Å; L99-I103 HydrophobicContact CD1-CD1 4.06Å; L99-I103 HydrophobicContact CD1-CG1 4.04Å; L99-I103 HydrophobicContact CD2-CD1 4.39Å; L99-I103 HydrophobicContact CG-CD1 3.82Å; L99-I103 HydrophobicContact CG-CG1 4.24Å; L99-I103 WeakPolarHBondContact O-CB 3.25Å; L99-I103 VanDerWaalsContact O-CG1 3.26Å; L99-I103 WeakPolarHBondContact O-CG1 3.36Å; L99-I103 PolarHBondContact O-N 3.13Å; L99-L109 HydrophobicContact CD1-CD1 4.09Å; L99-I117 HydrophobicContact CD1-CD1 4.18Å; L99-I117 HydrophobicContact CD1-CG2 4.31Å; L99-I117 HydrophobicContact CD2-CG2 4.05Å; L99-P140 CarbonylContact C-O 3.5Å; L99-P140 WeakPolarHBondContact CA-O 3.46Å; L99-P140 HydrophobicContact CB-CB 4.27Å; L99-P140 VanDerWaalsContact CB-O 3.29Å; L99-P140 WeakPolarHBondContact CB-O 3.32Å; L99-P140 HydrophobicContact CD2-CB 4.11Å; L99-P140 HydrophobicContact CG-CB 4.03Å; L99-P140 PolarHBondContact N-O 3.2Å; L99-P140 VanDerWaalsContact N-O 3.15Å; L99-V143 HydrophobicContact CB-CB 4.06Å; L99-V143 HydrophobicContact CB-CG1 4.13Å; L99-V143 WeakPolarHBondContact CB-O 3.36Å; L99-V143 HydrophobicContact CD2-CB 4.19Å; L99-V143 HydrophobicContact CD2-CG1 3.98Å; L99-V143 PolarHBondContact N-O 3Å; L99-L145 HydrophobicContact CB-CD1 4.08Å; L99-L145 HydrophobicContact CD1-CD1 4.06Å; L99-I207 HydrophobicContact CD2-CG2 3.9Å; L99-M211 HydrophobicContact CD1-CG 4.11Å; L99-M211 HydrophobicContact CD1-SD 3.94Å; L99-M211 HydrophobicContact CD2-CG 4.03Å; L99-M211 HydrophobicContact CD2-SD 3.77Å; L99-M211 HydrophobicContact CG-CG 4.43Å; L99-M211 HydrophobicContact CG-SD 4.44Å
100N93.1Very high90.7Very high34 Ų3435 Ų3518%0.18219%0.193CC..Hα-helixtrans-70-29173.1133.6100.7000112.7D98 R104 P140D98-N100 VanDerWaalsContact C-N 3.26Å; D98-N100 PolarHBondContact O-N 2.92Å; D98-N100 VanDerWaalsContact OD1-CA 3.32Å; D98-N100 WeakPolarHBondContact OD1-CA 3.39Å; D98-N100 VanDerWaalsContact OD1-CB 3.24Å; D98-N100 WeakPolarHBondContact OD1-CB 3.22Å; D98-N100 PolarHBondContact OD1-N 2.87Å; D98-N100 PolarHBondContact OD1-ND2 2.87Å; N100-R104 PolarHBondContact ND2-NH2 3.36Å; N100-R104 VanDerWaalsContact O-CB 3.28Å; N100-R104 WeakPolarHBondContact O-CB 3.46Å; N100-R104 WeakPolarHBondContact O-CG 3.41Å; N100-R104 PolarHBondContact O-N 2.93Å; N100-R104 VanDerWaalsContact O-N 3.14Å; N100-R104 PolarHBondContact O-NE 3.43Å; N100-R104 WeakPolarHBondContact OD1-CD 3.47Å; N100-R104 PolarHBondContact OD1-NE 2.9Å; N100-P140 HydrophobicContact CB-CB 3.82Å; N100-P140 PolarHBondContact N-O 2.99Å
101A90.1Very high90.6Very high3 Ų338.4 Ų38.43%0.02521%0.211CC..Hα-helixtrans-70.6-34.6168.400000112.4D98 K105 T527D98-A101 WeakPolarHBondContact O-CB 3.5Å; D98-A101 PolarHBondContact O-N 2.72Å; D98-A101 PolarHBondContact OD1-N 2.87Å; D98-A101 VanDerWaalsContact OD2-CB 3.23Å; D98-A101 WeakPolarHBondContact OD2-CB 3.5Å; A101-K105 WeakPolarHBondContact O-CB 3.29Å; A101-K105 PolarHBondContact O-N 2.99Å; A101-T527 HydrophobicContact CB-CG2 4.12Å
102V91Very high90.4Very high7 Ų739.5 Ų39.54%0.04222%0.217CC..Hα-helixtrans-68.5-50.1174.1178.60000111.5T97 D98 L99 K105 L108 L109 L145 L533T97-V102 HydrophobicContact CG2-CG2 3.6Å; D98-V102 PolarHBondContact O-N 3.2Å; D98-V102 VanDerWaalsContact O-N 3.13Å; L99-V102 PolarHBondContact O-N 3.4Å; V102-K105 PolarHBondContact O-N 2.88Å; V102-L108 HydrophobicContact CG1-CB 4.04Å; V102-L108 HydrophobicContact CG1-CD1 4.11Å; V102-L109 HydrophobicContact CG1-CD2 3.8Å; V102-L109 HydrophobicContact CG1-CG 3.98Å; V102-L145 HydrophobicContact CB-CD1 4.47Å; V102-L145 HydrophobicContact CG2-CD1 3.84Å; V102-L533 HydrophobicContact CG2-CD1 4.36Å
103I92.9Very high90.3Very high8 Ų840.4 Ų40.44%0.04122%0.222CC..Hα-helixtrans-59.7-52179.7-68.5172.2000110.8L99 K105 G106 L109 P140 E210 M211L99-I103 HydrophobicContact CD1-CD1 4.06Å; L99-I103 HydrophobicContact CD1-CG1 4.04Å; L99-I103 HydrophobicContact CD2-CD1 4.39Å; L99-I103 HydrophobicContact CG-CD1 3.82Å; L99-I103 HydrophobicContact CG-CG1 4.24Å; L99-I103 WeakPolarHBondContact O-CB 3.25Å; L99-I103 VanDerWaalsContact O-CG1 3.26Å; L99-I103 WeakPolarHBondContact O-CG1 3.36Å; L99-I103 PolarHBondContact O-N 3.13Å; I103-K105 PolarHBondContact O-N 2.87Å; I103-K105 VanDerWaalsContact O-N 3.14Å; I103-G106 PolarHBondContact O-N 2.9Å; I103-L109 HydrophobicContact CG1-CD1 3.78Å; I103-P140 HydrophobicContact CD1-CB 4.08Å; I103-P140 HydrophobicContact CD1-CG 4.35Å; I103-E210 HydrophobicContact CD1-CG 4.02Å; I103-E210 HydrophobicContact CG2-CG 4.12Å; I103-M211 HydrophobicContact CD1-CB 4.41Å; I103-M211 HydrophobicContact CD1-CG 3.68Å; I103-M211 HydrophobicContact CG1-CG 4.32Å
104R90.6Very high90.3Very high168 Ų16838.5 Ų38.563%0.63421%0.213SC*.Hα-helixtrans-62.1-22.3-178.5-73179.1-60.8162-0.5114.4N100N100-R104 PolarHBondContact ND2-NH2 3.36Å; N100-R104 VanDerWaalsContact O-CB 3.28Å; N100-R104 WeakPolarHBondContact O-CB 3.46Å; N100-R104 WeakPolarHBondContact O-CG 3.41Å; N100-R104 PolarHBondContact O-N 2.93Å; N100-R104 VanDerWaalsContact O-N 3.14Å; N100-R104 PolarHBondContact O-NE 3.43Å; N100-R104 WeakPolarHBondContact OD1-CD 3.47Å; N100-R104 PolarHBondContact OD1-NE 2.9Å
105K87.9Confident90.5Very high76 Ų7639 Ų3933%0.3321%0.214SC..Hα-helixtrans-78.7-23.4176.8-179.7171153.4-135.70112.4A101 V102 I103 L108 V528A101-K105 WeakPolarHBondContact O-CB 3.29Å; A101-K105 PolarHBondContact O-N 2.99Å; V102-K105 PolarHBondContact O-N 2.88Å; I103-K105 PolarHBondContact O-N 2.87Å; I103-K105 VanDerWaalsContact O-N 3.14Å; K105-L108 HydrophobicContact CB-CD1 3.87Å; K105-L108 HydrophobicContact CD-CD1 3.67Å; K105-L108 HydrophobicContact CG-CD1 3.78Å; K105-V528 PolarHBondContact NZ-O 3.27Å
106G85.9Confident90.6Very high38 Ų3839.5 Ų39.539%0.39222%0.218SC..  trans70.7158.9177.300000114.3I103 L108I103-G106 PolarHBondContact O-N 2.9Å; G106-L108 WeakPolarHBondContact O-CG 3.38Å; G106-L108 PolarHBondContact O-N 2.85Å; G106-L108 VanDerWaalsContact O-N 3.08Å
107G79.7Confident91.1Very high82 Ų8237 Ų3785%0.84520%0.204SC*.SBendtrans68.63.8171.200000117.4
108L81.9Confident91.5Very high11 Ų1136.9 Ų36.96%0.05820%0.204CC..  trans-101.3-29.8-175.3-61162000113.8V102 K105 G106 H113 L533V102-L108 HydrophobicContact CG1-CB 4.04Å; V102-L108 HydrophobicContact CG1-CD1 4.11Å; K105-L108 HydrophobicContact CB-CD1 3.87Å; K105-L108 HydrophobicContact CD-CD1 3.67Å; K105-L108 HydrophobicContact CG-CD1 3.78Å; G106-L108 WeakPolarHBondContact O-CG 3.38Å; G106-L108 PolarHBondContact O-N 2.85Å; G106-L108 VanDerWaalsContact O-N 3.08Å; L108-H113 PolarHBondContact O-ND1 2.7Å; L108-L533 HydrophobicContact CB-CD1 4.39Å; L108-L533 HydrophobicContact CD1-CD1 3.78Å; L108-L533 HydrophobicContact CD2-CB 3.98Å; L108-L533 HydrophobicContact CD2-CD1 4Å; L108-L533 HydrophobicContact CG-CD1 4.27Å
109L88.9Confident91.8Very high40 Ų4037.4 Ų37.421%0.20921%0.206CC..  trans-88.7113.2178.6-62.5-178.7000109L99 V102 I103 H113 V114 I117 M211L99-L109 HydrophobicContact CD1-CD1 4.09Å; V102-L109 HydrophobicContact CG1-CD2 3.8Å; V102-L109 HydrophobicContact CG1-CG 3.98Å; I103-L109 HydrophobicContact CG1-CD1 3.78Å; L109-H113 HydrophobicContact CD2-CB 3.97Å; L109-V114 HydrophobicContact CB-CG2 3.99Å; L109-V114 HydrophobicContact CD1-CG2 4.49Å; L109-I117 HydrophobicContact CD2-CD1 3.73Å; L109-M211 HydrophobicContact CD1-CB 4.18Å; L109-M211 HydrophobicContact CD1-CG 3.99Å; L109-M211 HydrophobicContact CD1-SD 4.45Å
110Q90.8Very high91.9Very high129 Ų12938.2 Ų38.260%0.60321%0.21SC*.  trans-89.6161.1161.2-62.7-179.27.700108.2V112 H113 V114Q110-V112 HydrophobicContact CB-CG1 4.17Å; Q110-V112 PolarHBondContact O-N 3.46Å; Q110-V112 VanDerWaalsContact O-N 3.11Å; Q110-H113 PolarHBondContact N-ND1 2.76Å; Q110-H113 WeakPolarHBondContact O-CA 3.3Å; Q110-H113 WeakPolarHBondContact O-CB 3.46Å; Q110-H113 PolarHBondContact O-N 3.23Å; Q110-V114 PolarHBondContact O-N 3.34Å
111D91.3Very high92.2Very high71 Ų7136.6 Ų36.638%0.3820%0.201SC..Hα-helixtrans-52-37.7179.1173.954.6000112.9H113 V114 R115 Y303D111-H113 VanDerWaalsContact C-N 3.33Å; D111-H113 PolarHBondContact O-N 3.15Å; D111-V114 PolarHBondContact O-N 2.93Å; D111-R115 VanDerWaalsContact CG-NE 3.26Å; D111-R115 WeakPolarHBondContact O-CG 3.43Å; D111-R115 PolarHBondContact O-N 3.24Å; D111-R115 IonicContact OD1-CZ 2.74Å; D111-R115 IonicContact OD1-NE 3.42Å; D111-R115 PolarHBondContact OD1-NE 2.89Å; D111-R115 VanDerWaalsContact OD1-NE 3.13Å; D111-R115 IonicContact OD1-NH2 2.65Å; D111-R115 IonicContact OD2-CZ 2.7Å; D111-R115 VanDerWaalsContact OD2-CZ 3.23Å; D111-R115 IonicContact OD2-NE 3.74Å; D111-R115 PolarHBondContact OD2-NE 3.17Å; D111-R115 IonicContact OD2-NH2 4Å; D111-R115 PolarHBondContact OD2-NH2 3.05Å; D111-Y303 WeakPolarHBondContact OD1-CE2 3.47Å; D111-Y303 PolarHBondContact OD1-OH 3.41Å
112V91.8Very high92.6Very high25 Ų2536.5 Ų36.515%0.15220%0.2CC..Hα-helixtrans-63.7-33.8174.868.20000113.4Q110 S116 F307 L538Q110-V112 HydrophobicContact CB-CG1 4.17Å; Q110-V112 PolarHBondContact O-N 3.46Å; Q110-V112 VanDerWaalsContact O-N 3.11Å; V112-S116 VanDerWaalsContact O-CB 3.3Å; V112-S116 WeakPolarHBondContact O-CB 3.42Å; V112-S116 PolarHBondContact O-N 2.92Å; V112-S116 VanDerWaalsContact O-N 3.13Å; V112-F307 HydrophobicContact CG2-CZ 4.07Å; V112-L538 HydrophobicContact CB-CD2 4.42Å; V112-L538 HydrophobicContact CG1-CD2 3.83Å; V112-L538 HydrophobicContact CG2-CD2 3.69Å
113H93.3Very high92.9Very high20 Ų2036.8 Ų36.89%0.09320%0.201CC..Hα-helixtrans-70.8-44172.3-54.5158.5000110.4L108 L109 Q110 D111 S116 I117L108-H113 PolarHBondContact O-ND1 2.7Å; L109-H113 HydrophobicContact CD2-CB 3.97Å; Q110-H113 PolarHBondContact N-ND1 2.76Å; Q110-H113 WeakPolarHBondContact O-CA 3.3Å; Q110-H113 WeakPolarHBondContact O-CB 3.46Å; Q110-H113 PolarHBondContact O-N 3.23Å; D111-H113 VanDerWaalsContact C-N 3.33Å; D111-H113 PolarHBondContact O-N 3.15Å; H113-S116 PolarHBondContact O-N 3.11Å; H113-I117 VanDerWaalsContact O-CB 3.31Å; H113-I117 WeakPolarHBondContact O-CB 3.07Å; H113-I117 WeakPolarHBondContact O-CD1 3.47Å; H113-I117 WeakPolarHBondContact O-CG1 3.18Å; H113-I117 PolarHBondContact O-N 2.82Å
114V96Very high93.2Very high5 Ų536.4 Ų36.43%0.0320%0.199CC..Hα-helixtrans-59.3-49.2177.8-178.60000111L109 Q110 D111 F118 L208 M211 L212 Y303L109-V114 HydrophobicContact CB-CG2 3.99Å; L109-V114 HydrophobicContact CD1-CG2 4.49Å; Q110-V114 PolarHBondContact O-N 3.34Å; D111-V114 PolarHBondContact O-N 2.93Å; V114-F118 VanDerWaalsContact O-CB 3.26Å; V114-F118 WeakPolarHBondContact O-CB 3.4Å; V114-F118 PolarHBondContact O-N 3.28Å; V114-L208 HydrophobicContact CG1-CD1 3.86Å; V114-M211 HydrophobicContact CG1-CB 3.92Å; V114-M211 HydrophobicContact CG1-CE 3.96Å; V114-M211 HydrophobicContact CG1-SD 4.26Å; V114-M211 HydrophobicContact CG2-CB 4.26Å; V114-L212 HydrophobicContact CG1-CD2 4.15Å; V114-L212 HydrophobicContact CG1-CG 4.41Å; V114-Y303 WeakPolarHBondContact CG1-OH 3.31Å
115R97Very high93.5Very high41 Ų4128.4 Ų28.416%0.15517%0.169CC..Hα-helixtrans-60.1-46.8176.4-69.3175.6-163.5-111.13.7112.5D111 F118 Y119 S274 Y303 F307D111-R115 VanDerWaalsContact CG-NE 3.26Å; D111-R115 WeakPolarHBondContact O-CG 3.43Å; D111-R115 PolarHBondContact O-N 3.24Å; D111-R115 IonicContact OD1-CZ 2.74Å; D111-R115 IonicContact OD1-NE 3.42Å; D111-R115 PolarHBondContact OD1-NE 2.89Å; D111-R115 VanDerWaalsContact OD1-NE 3.13Å; D111-R115 IonicContact OD1-NH2 2.65Å; D111-R115 IonicContact OD2-CZ 2.7Å; D111-R115 VanDerWaalsContact OD2-CZ 3.23Å; D111-R115 IonicContact OD2-NE 3.74Å; D111-R115 PolarHBondContact OD2-NE 3.17Å; D111-R115 IonicContact OD2-NH2 4Å; D111-R115 PolarHBondContact OD2-NH2 3.05Å; R115-F118 PolarHBondContact O-N 3.05Å; R115-Y119 VanDerWaalsContact O-CB 3.32Å; R115-Y119 WeakPolarHBondContact O-CB 3.29Å; R115-Y119 PolarHBondContact O-N 3.19Å; R115-S274 PolarHBondContact NH2-OG 2.96Å; R115-Y303 HydrophobicContact CB-CE1 4.45Å; R115-Y303 VanDerWaalsContact CD-O 3.23Å; R115-Y303 WeakPolarHBondContact CD-O 3.37Å; R115-Y303 HydrophobicContact CG-CD1 4.14Å; R115-Y303 HydrophobicContact CG-CD2 4.12Å; R115-Y303 HydrophobicContact CG-CE1 3.65Å; R115-Y303 HydrophobicContact CG-CE2 3.58Å; R115-Y303 HydrophobicContact CG-CG 4.37Å; R115-Y303 WeakPolarHBondContact CG-O 3.4Å; R115-Y303 WeakPolarHBondContact CG-OH 3.26Å; R115-Y303 VanDerWaalsContact CZ-CD2 3.47Å; R115-Y303 VanDerWaalsContact NH1-CD2 3.32Å; R115-Y303 PolarHBondContact NH1-O 3.1Å; R115-F307 HydrophobicContact CB-CD2 4.21Å; R115-F307 HydrophobicContact CB-CE2 3.61Å
116S96Very high94Very high15 Ų1526.5 Ų26.511%0.10516%0.159CC..Hα-helixtrans-66.5-42.7-178.2-177.10000112.5V112 H113 Q120V112-S116 VanDerWaalsContact O-CB 3.3Å; V112-S116 WeakPolarHBondContact O-CB 3.42Å; V112-S116 PolarHBondContact O-N 2.92Å; V112-S116 VanDerWaalsContact O-N 3.13Å; H113-S116 PolarHBondContact O-N 3.11Å; S116-Q120 WeakPolarHBondContact O-CG 3.28Å; S116-Q120 PolarHBondContact O-N 3.31Å; S116-Q120 PolarHBondContact O-NE2 2.97Å
117I97.6Very high94.5Very high0 Ų025.3 Ų25.30%014%0.144CC..Hα-helixtrans-64.9-43.3176.1-69.1168.6000110.2L99 L109 H113 L121 L145 V151 M211L99-I117 HydrophobicContact CD1-CD1 4.18Å; L99-I117 HydrophobicContact CD1-CG2 4.31Å; L99-I117 HydrophobicContact CD2-CG2 4.05Å; L109-I117 HydrophobicContact CD2-CD1 3.73Å; H113-I117 VanDerWaalsContact O-CB 3.31Å; H113-I117 WeakPolarHBondContact O-CB 3.07Å; H113-I117 WeakPolarHBondContact O-CD1 3.47Å; H113-I117 WeakPolarHBondContact O-CG1 3.18Å; H113-I117 PolarHBondContact O-N 2.82Å; I117-L121 WeakPolarHBondContact O-CB 3.43Å; I117-L121 PolarHBondContact O-N 3.17Å; I117-L145 HydrophobicContact CD1-CD1 4.21Å; I117-L145 HydrophobicContact CD1-CD2 4.14Å; I117-L145 HydrophobicContact CG1-CD2 4.04Å; I117-V151 HydrophobicContact CB-CG2 4.12Å; I117-V151 HydrophobicContact CG1-CG2 4.16Å; I117-V151 HydrophobicContact CG2-CG2 3.85Å; I117-M211 HydrophobicContact CB-SD 4.24Å; I117-M211 HydrophobicContact CG2-CE 4.41Å; I117-M211 HydrophobicContact CG2-SD 3.76Å
118F98.3Very high95.3Very high0 Ų021.4 Ų21.40%010%0.103CC..Hα-helixtrans-68.6-38.9-179.8-159.4-110.9000112.8V114 R115 L121 L122 L204 L208 M211 L280 L284 V304V114-F118 VanDerWaalsContact O-CB 3.26Å; V114-F118 WeakPolarHBondContact O-CB 3.4Å; V114-F118 PolarHBondContact O-N 3.28Å; R115-F118 PolarHBondContact O-N 3.05Å; F118-L121 PolarHBondContact O-N 2.86Å; F118-L122 HydrophobicContact CD1-CD1 3.69Å; F118-L122 HydrophobicContact CD1-CG 4.14Å; F118-L122 HydrophobicContact CE1-CD1 3.67Å; F118-L122 HydrophobicContact CE1-CD2 4.27Å; F118-L122 HydrophobicContact CE1-CG 3.95Å; F118-L122 HydrophobicContact CZ-CG 4.45Å; F118-L122 WeakPolarHBondContact O-CB 3.42Å; F118-L122 WeakPolarHBondContact O-CG 3.48Å; F118-L122 PolarHBondContact O-N 2.92Å; F118-L204 HydrophobicContact CE2-CB 3.95Å; F118-L204 HydrophobicContact CE2-CD2 4.18Å; F118-L204 WeakPolarHBondContact CE2-O 3.36Å; F118-L204 HydrophobicContact CZ-CB 3.91Å; F118-L208 HydrophobicContact CD1-CD1 4.44Å; F118-L208 HydrophobicContact CD1-CD2 4.35Å; F118-L208 HydrophobicContact CD2-CB 4.01Å; F118-L208 HydrophobicContact CD2-CD1 4.28Å; F118-L208 HydrophobicContact CE1-CD2 4.06Å; F118-L208 HydrophobicContact CE2-CB 3.71Å; F118-L208 HydrophobicContact CG-CD1 4.15Å; F118-L208 HydrophobicContact CZ-CB 4.04Å; F118-L208 HydrophobicContact CZ-CD2 4.18Å; F118-M211 HydrophobicContact CB-CE 4.01Å; F118-M211 HydrophobicContact CD2-CE 3.84Å; F118-M211 HydrophobicContact CG-CE 4.34Å; F118-L280 HydrophobicContact CD1-CD2 4.03Å; F118-L280 HydrophobicContact CE1-CD2 3.79Å; F118-L280 HydrophobicContact CE1-CG 4.35Å; F118-L284 HydrophobicContact CE1-CD1 4Å; F118-L284 HydrophobicContact CZ-CD1 3.65Å; F118-V304 HydrophobicContact CD1-CG1 4.37Å
119Y98.3Very high96Very high13 Ų1321.6 Ų21.65%0.05110%0.104CC..Hα-helixtrans-58.9-49.4174175.4-103.4000112.1R115 L121 L122 Q123 L299 V304 F307 H308 C309 E313R115-Y119 VanDerWaalsContact O-CB 3.32Å; R115-Y119 WeakPolarHBondContact O-CB 3.29Å; R115-Y119 PolarHBondContact O-N 3.19Å; Y119-L121 VanDerWaalsContact C-N 3.31Å; Y119-L121 PolarHBondContact O-N 3.45Å; Y119-L122 WeakPolarHBondContact O-CB 3.46Å; Y119-L122 PolarHBondContact O-N 3.15Å; Y119-L122 VanDerWaalsContact O-N 3.15Å; Y119-Q123 VanDerWaalsContact CE1-CD 3.4Å; Y119-Q123 HydrophobicContact CE1-CG 4.04Å; Y119-Q123 HydrophobicContact CE2-CG 4.49Å; Y119-Q123 PolarHBondContact O-N 3.08Å; Y119-L299 HydrophobicContact CD2-CD2 3.59Å; Y119-L299 HydrophobicContact CE2-CD2 3.43Å; Y119-L299 VanDerWaalsContact CE2-CD2 3.43Å; Y119-V304 HydrophobicContact CD2-CB 4.16Å; Y119-V304 HydrophobicContact CD2-CG2 4.33Å; Y119-F307 HydrophobicContact CD1-CB 3.58Å; Y119-F307 HydrophobicContact CD2-CB 4.08Å; Y119-F307 HydrophobicContact CE1-CB 3.98Å; Y119-F307 VanDerWaalsContact CE1-O 3.25Å; Y119-F307 WeakPolarHBondContact CE1-O 3.48Å; Y119-F307 HydrophobicContact CE2-CB 4.45Å; Y119-F307 HydrophobicContact CG-CB 3.63Å; Y119-F307 PolarHBondContact OH-O 3.37Å; Y119-H308 HydrophobicContact CE2-CB 4.44Å; Y119-C309 PolarHBondContact OH-N 2.72Å; Y119-E313 PolarHBondContact OH-OE1 3.2Å
120Q98.3Very high96.2Very high17 Ų1721.3 Ų21.38%0.07911%0.105CC..Hα-helixtrans-63.9-35.7177.8-70.2176.97700113N72 S116 L122 Q123 A124 C149 V151N72-Q120 WeakPolarHBondContact CB-O 3.26Å; N72-Q120 PolarHBondContact ND2-OE1 3.36Å; S116-Q120 WeakPolarHBondContact O-CG 3.28Å; S116-Q120 PolarHBondContact O-N 3.31Å; S116-Q120 PolarHBondContact O-NE2 2.97Å; Q120-L122 VanDerWaalsContact C-N 3.33Å; Q120-Q123 WeakPolarHBondContact O-CB 3.29Å; Q120-Q123 PolarHBondContact O-N 3.05Å; Q120-A124 PolarHBondContact O-N 3.19Å; Q120-A124 VanDerWaalsContact O-N 3.08Å; Q120-C149 PolarHBondContact NE2-O 3.36Å; Q120-V151 HydrophobicContact CB-CB 3.7Å; Q120-V151 HydrophobicContact CB-CG1 4.44Å; Q120-V151 HydrophobicContact CB-CG2 3.88Å
121L98.4Very high96.3Very high0 Ų015.2 Ų15.20%08%0.077CC..Hα-helixtrans-70.6-30.8175.8-171.961.3000112.2I117 F118 Y119 T125 V143 V151 L153 L204 I207I117-L121 WeakPolarHBondContact O-CB 3.43Å; I117-L121 PolarHBondContact O-N 3.17Å; F118-L121 PolarHBondContact O-N 2.86Å; Y119-L121 VanDerWaalsContact C-N 3.31Å; Y119-L121 PolarHBondContact O-N 3.45Å; L121-T125 WeakPolarHBondContact O-CB 3.32Å; L121-T125 PolarHBondContact O-N 3.47Å; L121-T125 PolarHBondContact O-OG1 3Å; L121-V143 HydrophobicContact CD1-CG1 4.32Å; L121-V143 HydrophobicContact CD1-CG2 3.77Å; L121-V143 HydrophobicContact CD2-CG1 4.47Å; L121-V143 HydrophobicContact CD2-CG2 3.86Å; L121-V143 HydrophobicContact CG-CG2 4.49Å; L121-V151 HydrophobicContact CB-CG1 4.44Å; L121-V151 HydrophobicContact CD1-CG1 4.47Å; L121-L153 HydrophobicContact CD1-CB 4.45Å; L121-L153 HydrophobicContact CD1-CD1 4.13Å; L121-L153 HydrophobicContact CD1-CD2 4.29Å; L121-L204 HydrophobicContact CD1-CD2 4.48Å; L121-L204 HydrophobicContact CD2-CD2 3.44Å; L121-L204 VanDerWaalsContact CD2-CD2 3.44Å; L121-L204 HydrophobicContact CG-CD2 3.51Å; L121-I207 HydrophobicContact CD2-CD1 4.09Å; L121-I207 HydrophobicContact CD2-CG2 4.07Å
122L98.6Very high96.3Very high0 Ų015 Ų150%07%0.073CC..Hα-helixtrans-69.3-38.9169-75.9169.4000112.3F118 Y119 Q120 T125 R126 M201 L204 A295 A298 L299 V304F118-L122 HydrophobicContact CD1-CD1 3.69Å; F118-L122 HydrophobicContact CD1-CG 4.14Å; F118-L122 HydrophobicContact CE1-CD1 3.67Å; F118-L122 HydrophobicContact CE1-CD2 4.27Å; F118-L122 HydrophobicContact CE1-CG 3.95Å; F118-L122 HydrophobicContact CZ-CG 4.45Å; F118-L122 WeakPolarHBondContact O-CB 3.42Å; F118-L122 WeakPolarHBondContact O-CG 3.48Å; F118-L122 PolarHBondContact O-N 2.92Å; Y119-L122 WeakPolarHBondContact O-CB 3.46Å; Y119-L122 PolarHBondContact O-N 3.15Å; Y119-L122 VanDerWaalsContact O-N 3.15Å; Q120-L122 VanDerWaalsContact C-N 3.33Å; L122-T125 PolarHBondContact O-N 3.23Å; L122-R126 WeakPolarHBondContact O-CB 3.49Å; L122-R126 PolarHBondContact O-N 3.44Å; L122-M201 HydrophobicContact CD2-CE 4Å; L122-L204 HydrophobicContact CD2-CD1 3.81Å; L122-A295 HydrophobicContact CD2-CB 4.5Å; L122-A298 HydrophobicContact CD1-CB 4.01Å; L122-A298 HydrophobicContact CD2-CB 3.6Å; L122-A298 HydrophobicContact CG-CB 4.48Å; L122-L299 HydrophobicContact CB-CD2 3.55Å; L122-L299 HydrophobicContact CB-CG 3.84Å; L122-L299 HydrophobicContact CD1-CD2 4.46Å; L122-V304 HydrophobicContact CD1-CG1 4.48Å; L122-V304 HydrophobicContact CD1-CG2 4.49Å
123Q98.1Very high96.3Very high14 Ų1413.8 Ų13.87%0.0657%0.066CC..Hα-helixtrans-57.7-51.4172.5-71175-84.300110.6Y119 Q120 T125 R126 F127 L299 D312 E313Y119-Q123 VanDerWaalsContact CE1-CD 3.4Å; Y119-Q123 HydrophobicContact CE1-CG 4.04Å; Y119-Q123 HydrophobicContact CE2-CG 4.49Å; Y119-Q123 PolarHBondContact O-N 3.08Å; Q120-Q123 WeakPolarHBondContact O-CB 3.29Å; Q120-Q123 PolarHBondContact O-N 3.05Å; Q123-T125 VanDerWaalsContact C-N 3.32Å; Q123-T125 PolarHBondContact O-N 3.39Å; Q123-R126 PolarHBondContact O-N 3.02Å; Q123-F127 PolarHBondContact O-N 3.05Å; Q123-F127 VanDerWaalsContact O-N 3.09Å; Q123-L299 HydrophobicContact CG-CD2 4.09Å; Q123-D312 PolarHBondContact NE2-O 2.79Å; Q123-E313 HydrophobicContact CG-CG 4.33Å
124A98.2Very high96.2Very high0 Ų013 Ų130%06%0.063CC..Hα-helixtrans-55.1-46.1174.600000112.3N72 I73 Q120 F127 L128 L153N72-A124 HydrophobicContact CB-CB 3.89Å; N72-A124 WeakPolarHBondContact O-CB 3.33Å; I73-A124 HydrophobicContact CG1-CB 4.2Å; Q120-A124 PolarHBondContact O-N 3.19Å; Q120-A124 VanDerWaalsContact O-N 3.08Å; A124-F127 PolarHBondContact O-N 3.47Å; A124-L128 WeakPolarHBondContact O-CG 3.24Å; A124-L128 PolarHBondContact O-N 2.68Å; A124-L128 VanDerWaalsContact O-N 3.16Å; A124-L153 HydrophobicContact CB-CB 4.23Å; A124-L153 HydrophobicContact CB-CD2 4.08Å
125T98.3Very high96.1Very high0 Ų012.8 Ų12.80%06%0.062CC..Hα-helixtrans-68.6-38.3-177.8-56.60000112.1L121 L122 Q123 F127 L128 H129 Q138 D200 M201 L204 A295L121-T125 WeakPolarHBondContact O-CB 3.32Å; L121-T125 PolarHBondContact O-N 3.47Å; L121-T125 PolarHBondContact O-OG1 3Å; L122-T125 PolarHBondContact O-N 3.23Å; Q123-T125 VanDerWaalsContact C-N 3.32Å; Q123-T125 PolarHBondContact O-N 3.39Å; T125-F127 PolarHBondContact O-N 3.38Å; T125-L128 PolarHBondContact O-N 3.14Å; T125-H129 WeakPolarHBondContact CG2-CE1 3.4Å; T125-H129 WeakPolarHBondContact CG2-NE2 3.47Å; T125-H129 VanDerWaalsContact O-CB 3.26Å; T125-H129 WeakPolarHBondContact O-CB 3.4Å; T125-H129 PolarHBondContact O-CD2 3.29Å; T125-H129 PolarHBondContact O-N 2.9Å; T125-Q138 PolarHBondContact OG1-NE2 3.37Å; T125-D200 HydrophobicContact CG2-CB 4.24Å; T125-M201 HydrophobicContact CG2-SD 3.98Å; T125-L204 HydrophobicContact CG2-CD1 3.98Å; T125-A295 HydrophobicContact CG2-CB 4.11Å
126R97.2Very high95.8Very high35 Ų3513 Ų1313%0.1326%0.062CC..Hα-helixtrans-60.7-41.8172.5165.9172.2160.7168.5-16112.4L122 Q123 H129 S130 A295 L299 E313L122-R126 WeakPolarHBondContact O-CB 3.49Å; L122-R126 PolarHBondContact O-N 3.44Å; Q123-R126 PolarHBondContact O-N 3.02Å; R126-H129 PolarHBondContact O-N 3.23Å; R126-S130 WeakPolarHBondContact O-CB 2.83Å; R126-S130 PolarHBondContact O-N 2.94Å; R126-S130 PolarHBondContact O-OG 3.3Å; R126-A295 HydrophobicContact CB-CB 3.95Å; R126-L299 HydrophobicContact CB-CD1 3.91Å; R126-L299 HydrophobicContact CG-CD1 4.26Å; R126-E313 VanDerWaalsContact CZ-CB 3.4Å; R126-E313 IonicContact CZ-OE2 2.83Å; R126-E313 PolarHBondContact NE-O 3.44Å; R126-E313 IonicContact NH1-OE2 3.76Å; R126-E313 PolarHBondContact NH1-OE2 3.16Å; R126-E313 VanDerWaalsContact NH2-CB 3.25Å; R126-E313 PolarHBondContact NH2-O 3.4Å; R126-E313 IonicContact NH2-OE2 3.88Å; R126-E313 PolarHBondContact NH2-OE2 3.45Å
127F97.3Very high95.5Very high14 Ų1413 Ų136%0.0616%0.061CC..Hα-helixtrans-63-43.9177.5-179.5-96.3000111.9F67 H70 I73 Q123 A124 T125 S130 G131 W314 R316F67-F127 HydrophobicContact CB-CE1 3.93Å; F67-F127 AromaticContact CD1-CE1 3.84Å; F67-F127 HydrophobicContact CD1-CE1 3.84Å; F67-F127 HydrophobicContact CG-CE1 4.13Å; H70-F127 HydrophobicContact CB-CD1 4.43Å; H70-F127 HydrophobicContact CB-CE1 4.22Å; H70-F127 HydrophobicContact CB-CZ 4.33Å; H70-F127 AromaticContact CD2-CD1 3.91Å; H70-F127 AromaticContact CD2-CD2 3.42Å; H70-F127 VanDerWaalsContact CD2-CD2 3.42Å; H70-F127 WeakPolarHBondContact CD2-CD2 3.39Å; H70-F127 AromaticContact CD2-CE2 3.91Å; H70-F127 AromaticContact CD2-CG 3.4Å; H70-F127 VanDerWaalsContact CD2-CG 3.4Å; H70-F127 WeakPolarHBondContact CD2-CG 3.27Å; H70-F127 AromaticContact NE2-CG 3.78Å; I73-F127 HydrophobicContact CD1-CD1 3.59Å; I73-F127 HydrophobicContact CD1-CE1 4.09Å; Q123-F127 PolarHBondContact O-N 3.05Å; Q123-F127 VanDerWaalsContact O-N 3.09Å; A124-F127 PolarHBondContact O-N 3.47Å; T125-F127 PolarHBondContact O-N 3.38Å; F127-S130 PolarHBondContact O-OG 3.44Å; F127-G131 PolarHBondContact O-N 3.45Å; F127-W314 HydrophobicContact CD2-CB 3.99Å; F127-R316 HydrophobicContact CD1-CG 4.48Å; F127-R316 HydrophobicContact CD2-CG 3.86Å; F127-R316 HydrophobicContact CE1-CG 4.23Å; F127-R316 HydrophobicContact CE2-CG 3.56Å; F127-R316 HydrophobicContact CG-CG 4.33Å; F127-R316 HydrophobicContact CZ-CG 3.79Å
128L96.1Very high95.4Very high0 Ų013.1 Ų13.10%06%0.062CC..Hα-helixtrans-62.9-47.7174.2-63.4170.4000111.9F67 I73 A124 T125 G131 H132 V133 H135 L153 F156F67-L128 HydrophobicContact CD1-CD2 4.3Å; F67-L128 HydrophobicContact CD2-CD2 4.2Å; F67-L128 HydrophobicContact CE1-CD2 3.66Å; F67-L128 HydrophobicContact CE2-CD2 3.54Å; F67-L128 HydrophobicContact CZ-CD2 3.23Å; I73-L128 HydrophobicContact CD1-CD2 3.99Å; I73-L128 HydrophobicContact CD1-CG 4.22Å; A124-L128 WeakPolarHBondContact O-CG 3.24Å; A124-L128 PolarHBondContact O-N 2.68Å; A124-L128 VanDerWaalsContact O-N 3.16Å; T125-L128 PolarHBondContact O-N 3.14Å; L128-G131 CarbonylContact O-C 3.44Å; L128-G131 WeakPolarHBondContact O-CA 3.4Å; L128-G131 PolarHBondContact O-N 3.35Å; L128-G131 VanDerWaalsContact O-N 3.11Å; L128-H132 PolarHBondContact O-N 3.3Å; L128-H132 VanDerWaalsContact O-N 3.14Å; L128-V133 CarbonylContact C-O 3.5Å; L128-V133 HydrophobicContact CB-CB 4.44Å; L128-V133 PolarHBondContact O-N 3.34Å; L128-H135 HydrophobicContact CD1-CB 4.47Å; L128-L153 HydrophobicContact CD1-CD2 3.84Å; L128-F156 HydrophobicContact CD1-CE1 3.85Å; L128-F156 HydrophobicContact CD2-CD1 4.48Å; L128-F156 HydrophobicContact CD2-CE1 3.77Å; L128-F156 HydrophobicContact CG-CE1 4.46Å
129H95.7Very high95.2Very high14 Ų1413.8 Ų13.87%0.0657%0.065CC..Hα-helixtrans-69.5-36.6-174.3-74.8-166.1000113.2T125 R126 G131 H132 V133 L197 D200T125-H129 WeakPolarHBondContact CG2-CE1 3.4Å; T125-H129 WeakPolarHBondContact CG2-NE2 3.47Å; T125-H129 VanDerWaalsContact O-CB 3.26Å; T125-H129 WeakPolarHBondContact O-CB 3.4Å; T125-H129 PolarHBondContact O-CD2 3.29Å; T125-H129 PolarHBondContact O-N 2.9Å; R126-H129 PolarHBondContact O-N 3.23Å; H129-G131 VanDerWaalsContact C-N 3.29Å; H129-G131 PolarHBondContact O-N 3.3Å; H129-H132 WeakPolarHBondContact O-CA 3.49Å; H129-H132 PolarHBondContact O-N 2.98Å; H129-H132 PolarHBondContact O-ND1 2.92Å; H129-V133 PolarHBondContact CD2-O 3.03Å; H129-L197 HydrophobicContact CB-CD1 4.14Å; H129-L197 HydrophobicContact CB-CD2 4.11Å; H129-L197 PolarHBondContact CE1-O 3.2Å; H129-D200 IonicContact CD2-OD2 2.7Å; H129-D200 IonicContact CE1-OD2 2.68Å; H129-D200 IonicContact NE2-OD2 2.82Å; H129-D200 PolarHBondContact NE2-OD2 3.28Å
130S94.8Very high95.1Very high35 Ų3513.2 Ų13.225%0.2456%0.062CC..Hα-helixtrans-61.3-40169.450.90000111.3R126 F127 H132 R316R126-S130 WeakPolarHBondContact O-CB 2.83Å; R126-S130 PolarHBondContact O-N 2.94Å; R126-S130 PolarHBondContact O-OG 3.3Å; F127-S130 PolarHBondContact O-OG 3.44Å; S130-H132 PolarHBondContact O-N 2.77Å; S130-H132 VanDerWaalsContact O-N 3.16Å; S130-H132 PolarHBondContact O-ND1 2.78Å; S130-R316 PolarHBondContact OG-N 3.16Å
131G92.3Very high94.8Very high0 Ų013.2 Ų13.20%06%0.064CC..THydrogen-bonded Turntrans-68-1.7168.300000115.8F127 L128 H129 V133 V320F127-G131 PolarHBondContact O-N 3.45Å; L128-G131 CarbonylContact O-C 3.44Å; L128-G131 WeakPolarHBondContact O-CA 3.4Å; L128-G131 PolarHBondContact O-N 3.35Å; L128-G131 VanDerWaalsContact O-N 3.11Å; H129-G131 VanDerWaalsContact C-N 3.29Å; H129-G131 PolarHBondContact O-N 3.3Å; G131-V133 PolarHBondContact O-N 2.95Å; G131-V320 PolarHBondContact O-N 3.11Å
132H90.9Very high94.6Very high67 Ų6713.2 Ų13.231%0.316%0.064SC..THydrogen-bonded Turntrans59.425.8-173.7-69.850.2000114.5L128 H129 S130 S161 L162 H319L128-H132 PolarHBondContact O-N 3.3Å; L128-H132 VanDerWaalsContact O-N 3.14Å; H129-H132 WeakPolarHBondContact O-CA 3.49Å; H129-H132 PolarHBondContact O-N 2.98Å; H129-H132 PolarHBondContact O-ND1 2.92Å; S130-H132 PolarHBondContact O-N 2.77Å; S130-H132 VanDerWaalsContact O-N 3.16Å; S130-H132 PolarHBondContact O-ND1 2.78Å; H132-S161 CarbonylContact O-C 3.58Å; H132-S161 WeakPolarHBondContact O-CA 3.45Å; H132-L162 HydrophobicContact CB-CD1 4.44Å; H132-L162 PolarHBondContact O-N 3.37Å; H132-H319 AromaticContact CD2-CE1 3.74Å; H132-H319 AromaticContact CD2-ND1 3.55Å; H132-H319 AromaticContact CE1-CE1 3.41Å; H132-H319 PolarHBondContact CE1-CE1 3.42Å; H132-H319 VanDerWaalsContact CE1-CE1 3.41Å; H132-H319 AromaticContact CE1-ND1 3.55Å; H132-H319 AromaticContact CG-CE1 3.77Å; H132-H319 AromaticContact CG-ND1 3.19Å; H132-H319 AromaticContact ND1-CE1 3.56Å; H132-H319 AromaticContact ND1-ND1 3.18Å; H132-H319 PolarHBondContact ND1-ND1 3.39Å; H132-H319 VanDerWaalsContact ND1-ND1 3.18Å; H132-H319 AromaticContact NE2-CE1 3.51Å; H132-H319 AromaticContact NE2-ND1 3.76Å
133V91.7Very high94.5Very high0 Ų013.2 Ų13.20%06%0.064CC..EExtended strand (participates in β ladder)trans-93.2128.9172.1-176.20000110L63 F67 L128 H129 G131 A159 R160 V320L63-V133 HydrophobicContact CD2-CG2 4.39Å; F67-V133 HydrophobicContact CE1-CG2 4.33Å; F67-V133 HydrophobicContact CZ-CG1 4.3Å; F67-V133 HydrophobicContact CZ-CG2 4.45Å; L128-V133 CarbonylContact C-O 3.5Å; L128-V133 HydrophobicContact CB-CB 4.44Å; L128-V133 PolarHBondContact O-N 3.34Å; H129-V133 PolarHBondContact CD2-O 3.03Å; G131-V133 PolarHBondContact O-N 2.95Å; V133-A159 HydrophobicContact CG1-CB 4.08Å; V133-R160 WeakPolarHBondContact CA-O 3.4Å; V133-V320 HydrophobicContact CG2-CB 3.56Å; V133-V320 HydrophobicContact CG2-CG1 3.96Å; V133-V320 HydrophobicContact CG2-CG2 3.7Å
134V91.6Very high94.4Very high4 Ų412.6 Ų12.62%0.0246%0.061CC..EExtended strand (participates in β ladder)trans-101131.4168-169.20000108.3R136 A159 R160 L162 L197 V199 D200V134-R136 HydrophobicContact CB-CG 4.05Å; V134-R136 HydrophobicContact CG1-CG 3.64Å; V134-A159 CarbonylContact O-C 3.35Å; V134-A159 WeakPolarHBondContact O-CA 3.46Å; V134-A159 WeakPolarHBondContact O-CB 3.31Å; V134-R160 PolarHBondContact N-O 3.14Å; V134-R160 PolarHBondContact O-N 2.93Å; V134-L162 HydrophobicContact CG2-CD2 3.68Å; V134-L162 HydrophobicContact CG2-CG 4.13Å; V134-L197 HydrophobicContact CG2-CD2 4.03Å; V134-V199 HydrophobicContact CG1-CB 4.15Å; V134-D200 WeakPolarHBondContact CA-OD2 3.36Å; V134-D200 WeakPolarHBondContact CG1-OD2 3.28Å
135H93.1Very high94.2Very high0 Ų012.9 Ų12.90%06%0.063CC..  trans-74.9-40.3-179.7-172.8-53.9000112.1L128 D137 Q138 N142 C154 D155 F156 L158 A159 D200L128-H135 HydrophobicContact CD1-CB 4.47Å; H135-D137 VanDerWaalsContact CE1-C 3.5Å; H135-D137 PolarHBondContact CE1-O 2.9Å; H135-D137 PolarHBondContact ND1-N 2.98Å; H135-D137 PolarHBondContact O-N 2.7Å; H135-D137 VanDerWaalsContact O-N 3.08Å; H135-Q138 HydrophobicContact CB-CG 3.78Å; H135-N142 PolarHBondContact CE1-ND2 2.66Å; H135-N142 VanDerWaalsContact CE1-ND2 3.3Å; H135-C154 PolarHBondContact CE1-O 3.02Å; H135-C154 PolarHBondContact NE2-O 2.83Å; H135-D155 PolarHBondContact CE1-O 2.85Å; H135-F156 AromaticContact CD2-CD1 3.76Å; H135-F156 AromaticContact CD2-CE1 3.49Å; H135-F156 VanDerWaalsContact CD2-CE1 3.49Å; H135-F156 WeakPolarHBondContact CD2-CE1 3.39Å; H135-F156 AromaticContact NE2-CE1 3.97Å; H135-L158 CarbonylContact O-C 3.5Å; H135-A159 WeakPolarHBondContact O-CA 3.31Å; H135-A159 PolarHBondContact O-N 2.88Å; H135-D200 PolarHBondContact N-OD1 3.48Å; H135-D200 PolarHBondContact N-OD2 2.88Å
136R90.7Very high93.8Very high46 Ų4614.1 Ų14.117%0.1747%0.07CC..SBendtrans65.8-3.8176.5-54.4174.469.5-137.85.6116V134 L158 Y195 D200V134-R136 HydrophobicContact CB-CG 4.05Å; V134-R136 HydrophobicContact CG1-CG 3.64Å; R136-L158 PolarHBondContact NH1-O 3.43Å; R136-Y195 VanDerWaalsContact NE-CE1 3.34Å; R136-Y195 VanDerWaalsContact NH2-CE1 3.31Å; R136-Y195 VanDerWaalsContact NH2-CZ 3.31Å; R136-Y195 PolarHBondContact NH2-OH 2.98Å; R136-Y195 VanDerWaalsContact NH2-OH 3.14Å; R136-D200 PolarHBondContact N-OD1 3.44Å
137D90.4Very high93.2Very high15 Ų1514.4 Ų14.48%0.088%0.08CC..  trans-14337.7177.3-16737.1000112.3H135 K139 N142 L158H135-D137 VanDerWaalsContact CE1-C 3.5Å; H135-D137 PolarHBondContact CE1-O 2.9Å; H135-D137 PolarHBondContact ND1-N 2.98Å; H135-D137 PolarHBondContact O-N 2.7Å; H135-D137 VanDerWaalsContact O-N 3.08Å; D137-K139 PolarHBondContact O-N 2.99Å; D137-K139 IonicContact OD1-NZ 2.87Å; D137-K139 PolarHBondContact OD1-NZ 3.25Å; D137-K139 IonicContact OD2-NZ 3.23Å; D137-K139 PolarHBondContact OD2-NZ 2.92Å; D137-N142 PolarHBondContact O-ND2 3.24Å; D137-N142 PolarHBondContact OD2-ND2 2.97Å; D137-L158 HydrophobicContact CB-CB 4.26Å; D137-L158 HydrophobicContact CB-CD1 3.85Å
138Q95.2Very high92.6Very high1 Ų118 Ų181%0.00510%0.099CC..  trans-68.7129169.6-59-15621.500110.1T125 H135 L153 Y183 I207T125-Q138 PolarHBondContact OG1-NE2 3.37Å; H135-Q138 HydrophobicContact CB-CG 3.78Å; Q138-L153 HydrophobicContact CG-CD1 4.44Å; Q138-Y183 WeakPolarHBondContact O-CB 3.21Å; Q138-I207 HydrophobicContact CB-CD1 4.12Å
139K94.9Very high92.3Very high15 Ų1518.6 Ų18.67%0.06510%0.103CC..  trans-162.5158.5178.957.7-172.1170.9-133.30109.1D137 S141 N142 V143 Y183D137-K139 PolarHBondContact O-N 2.99Å; D137-K139 IonicContact OD1-NZ 2.87Å; D137-K139 PolarHBondContact OD1-NZ 3.25Å; D137-K139 IonicContact OD2-NZ 3.23Å; D137-K139 PolarHBondContact OD2-NZ 2.92Å; K139-S141 WeakPolarHBondContact CE-OG 3.49Å; K139-S141 PolarHBondContact O-N 2.95Å; K139-N142 WeakPolarHBondContact CE-ND2 3.43Å; K139-N142 HydrophobicContact CG-CB 4.08Å; K139-N142 PolarHBondContact O-N 3.08Å; K139-V143 PolarHBondContact O-N 2.93Å; K139-Y183 HydrophobicContact CB-CD1 4.15Å; K139-Y183 HydrophobicContact CB-CD2 3.41Å; K139-Y183 VanDerWaalsContact CB-CD2 3.41Å; K139-Y183 HydrophobicContact CB-CE1 4.29Å; K139-Y183 HydrophobicContact CB-CE2 3.55Å; K139-Y183 HydrophobicContact CB-CG 3.73Å; K139-Y183 HydrophobicContact CD-CD2 4.41Å; K139-Y183 HydrophobicContact CD-CE2 4.42Å
140P95.9Very high92.2Very high0 Ų020.1 Ų20.10%011%0.113CC..G310 helixtrans-61.5-19.6-174.1-20.131000114L99 N100 I103 Y183 I207 E210L99-P140 CarbonylContact C-O 3.5Å; L99-P140 WeakPolarHBondContact CA-O 3.46Å; L99-P140 HydrophobicContact CB-CB 4.27Å; L99-P140 VanDerWaalsContact CB-O 3.29Å; L99-P140 WeakPolarHBondContact CB-O 3.32Å; L99-P140 HydrophobicContact CD2-CB 4.11Å; L99-P140 HydrophobicContact CG-CB 4.03Å; L99-P140 PolarHBondContact N-O 3.2Å; L99-P140 VanDerWaalsContact N-O 3.15Å; N100-P140 HydrophobicContact CB-CB 3.82Å; N100-P140 PolarHBondContact N-O 2.99Å; I103-P140 HydrophobicContact CD1-CB 4.08Å; I103-P140 HydrophobicContact CD1-CG 4.35Å; P140-Y183 WeakPolarHBondContact CD-OH 3.24Å; P140-Y183 HydrophobicContact CG-CE1 3.92Å; P140-I207 HydrophobicContact CG-CB 4.5Å; P140-I207 HydrophobicContact CG-CG1 4.01Å; P140-I207 HydrophobicContact CG-CG2 4.34Å; P140-E210 HydrophobicContact CG-CG 4.49Å
141S91.3Very high92.3Very high18 Ų1818.4 Ų18.413%0.12610%0.102CC..G310 helixtrans-71.2-43.3170.978.50000110.9D98 K139 V143 S522D98-S141 WeakPolarHBondContact CB-O 3.23Å; K139-S141 WeakPolarHBondContact CE-OG 3.49Å; K139-S141 PolarHBondContact O-N 2.95Å; S141-V143 PolarHBondContact O-N 3.05Å; S141-V143 VanDerWaalsContact O-N 3.08Å; S141-S522 WeakPolarHBondContact CB-OG 3.38Å; S141-S522 WeakPolarHBondContact O-CB 3.5Å; S141-S522 WeakPolarHBondContact OG-CB 3.29Å; S141-S522 PolarHBondContact OG-OG 2.83Å
142N94.4Very high92.6Very high0 Ų019.1 Ų19.10%011%0.105CC..G310 helixtrans-74.66-179.9-72.4-2.8000113.9H135 D137 K139 L153 C154 S522H135-N142 PolarHBondContact CE1-ND2 2.66Å; H135-N142 VanDerWaalsContact CE1-ND2 3.3Å; D137-N142 PolarHBondContact O-ND2 3.24Å; D137-N142 PolarHBondContact OD2-ND2 2.97Å; K139-N142 WeakPolarHBondContact CE-ND2 3.43Å; K139-N142 HydrophobicContact CG-CB 4.08Å; K139-N142 PolarHBondContact O-N 3.08Å; N142-L153 WeakPolarHBondContact O-CD1 3.27Å; N142-C154 PolarHBondContact O-N 3Å; N142-C154 VanDerWaalsContact O-N 3.08Å; N142-C154 PolarHBondContact O-SG 3.11Å; N142-S522 WeakPolarHBondContact OD1-CB 3.35Å; N142-S522 PolarHBondContact OD1-OG 3.16Å
143V96.6Very high92.9Very high0 Ų015.9 Ų15.90%09%0.09CC..EExtended strand (participates in β ladder)trans-109.2107.1174.6-179.10000107.6L99 L121 K139 S141 V151 L153 I207L99-V143 HydrophobicContact CB-CB 4.06Å; L99-V143 HydrophobicContact CB-CG1 4.13Å; L99-V143 WeakPolarHBondContact CB-O 3.36Å; L99-V143 HydrophobicContact CD2-CB 4.19Å; L99-V143 HydrophobicContact CD2-CG1 3.98Å; L99-V143 PolarHBondContact N-O 3Å; L121-V143 HydrophobicContact CD1-CG1 4.32Å; L121-V143 HydrophobicContact CD1-CG2 3.77Å; L121-V143 HydrophobicContact CD2-CG1 4.47Å; L121-V143 HydrophobicContact CD2-CG2 3.86Å; L121-V143 HydrophobicContact CG-CG2 4.49Å; K139-V143 PolarHBondContact O-N 2.93Å; S141-V143 PolarHBondContact O-N 3.05Å; S141-V143 VanDerWaalsContact O-N 3.08Å; V143-V151 HydrophobicContact CG1-CG1 3.7Å; V143-L153 HydrophobicContact CG2-CD1 4.46Å; V143-I207 HydrophobicContact CG2-CD1 4.47Å
144L95.3Very high93Very high0 Ų016 Ų160%09%0.09CC..EExtended strand (participates in β ladder)trans-93.8152.9-174.9-53.7164.1000111.2I74 M95 T97 D98 V151 K152 C154 Y521 Y525I74-L144 HydrophobicContact CD1-CD1 3.82Å; I74-L144 HydrophobicContact CG1-CD1 4.43Å; M95-L144 HydrophobicContact CB-CB 3.89Å; M95-L144 HydrophobicContact CE-CB 4.41Å; M95-L144 HydrophobicContact CG-CB 3.77Å; M95-L144 HydrophobicContact CG-CD1 4Å; M95-L144 HydrophobicContact CG-CG 4.49Å; T97-L144 WeakPolarHBondContact O-CA 3.32Å; D98-L144 HydrophobicContact CB-CD2 4.41Å; L144-V151 WeakPolarHBondContact O-CA 3.45Å; L144-K152 HydrophobicContact CB-CB 4.29Å; L144-K152 VanDerWaalsContact CB-O 3.32Å; L144-K152 WeakPolarHBondContact CB-O 3.48Å; L144-K152 PolarHBondContact N-O 2.79Å; L144-K152 PolarHBondContact O-N 2.85Å; L144-C154 HydrophobicContact CD1-CB 3.75Å; L144-C154 HydrophobicContact CG-CB 4.4Å; L144-Y521 HydrophobicContact CD1-CD1 3.82Å; L144-Y521 HydrophobicContact CD1-CE1 3.46Å; L144-Y521 VanDerWaalsContact CD1-CE1 3.46Å; L144-Y521 HydrophobicContact CD2-CD1 4.16Å; L144-Y521 HydrophobicContact CD2-CE1 4.22Å; L144-Y521 HydrophobicContact CG-CE1 4.47Å; L144-Y525 HydrophobicContact CD2-CD1 4.49Å; L144-Y525 HydrophobicContact CD2-CD2 3.71Å; L144-Y525 HydrophobicContact CD2-CE2 3.98Å; L144-Y525 HydrophobicContact CD2-CG 4.01Å
145L94Very high92.9Very high6 Ų615.9 Ų15.93%0.0319%0.09CC..EExtended strand (participates in β ladder)trans-136.7140.4-177.7-66.5167.2000111.3D96 T97 L99 V102 I117 T150 V151D96-L145 PolarHBondContact N-O 3.11Å; T97-L145 HydrophobicContact CG2-CB 3.81Å; T97-L145 HydrophobicContact CG2-CD1 4.49Å; T97-L145 PolarHBondContact N-O 2.85Å; T97-L145 PolarHBondContact O-N 3.26Å; L99-L145 HydrophobicContact CB-CD1 4.08Å; L99-L145 HydrophobicContact CD1-CD1 4.06Å; V102-L145 HydrophobicContact CB-CD1 4.47Å; V102-L145 HydrophobicContact CG2-CD1 3.84Å; I117-L145 HydrophobicContact CD1-CD1 4.21Å; I117-L145 HydrophobicContact CD1-CD2 4.14Å; I117-L145 HydrophobicContact CG1-CD2 4.04Å; L145-T150 WeakPolarHBondContact CA-O 3.3Å; L145-V151 HydrophobicContact CD2-CG2 3.7Å
146D89.8Confident92.7Very high27 Ų2715.9 Ų15.914%0.1449%0.09CC..  trans-98.2-178.9168.376.4-9.7000111.1M95 N148 C149 T150M95-D146 HydrophobicContact CE-CB 3.91Å; D146-N148 PolarHBondContact O-N 2.92Å; D146-N148 VanDerWaalsContact OD1-CA 3.31Å; D146-N148 WeakPolarHBondContact OD1-CA 3.49Å; D146-N148 WeakPolarHBondContact OD1-CB 3.33Å; D146-N148 PolarHBondContact OD1-N 3.45Å; D146-N148 PolarHBondContact OD2-ND2 3.31Å; D146-C149 PolarHBondContact O-N 2.86Å; D146-C149 PolarHBondContact OD1-N 3.39Å; D146-T150 VanDerWaalsContact CG-CB 3.47Å; D146-T150 VanDerWaalsContact CG-OG1 3.26Å; D146-T150 PolarHBondContact N-O 2.65Å; D146-T150 WeakPolarHBondContact OD1-CA 3.33Å; D146-T150 VanDerWaalsContact OD1-CB 3.27Å; D146-T150 WeakPolarHBondContact OD1-CB 3.46Å; D146-T150 PolarHBondContact OD1-N 3.37Å; D146-T150 PolarHBondContact OD1-OG1 2.55Å; D146-T150 VanDerWaalsContact OD1-OG1 3.11Å; D146-T150 WeakPolarHBondContact OD2-CB 3.25Å; D146-T150 PolarHBondContact OD2-OG1 3.13Å
147A85.1Confident92.4Very high41 Ų4113.7 Ų13.734%0.3398%0.082SC..THydrogen-bonded Turntrans-63.8-12.5173.600000115.2D96D96-A147 PolarHBondContact OD2-N 3.15Å
148N85.8Confident92.1Very high90 Ų9014.1 Ų14.148%0.4818%0.083SC..THydrogen-bonded Turntrans-99.22.4-179.9-50.6-68.1000113.1D146 T150D146-N148 PolarHBondContact O-N 2.92Å; D146-N148 VanDerWaalsContact OD1-CA 3.31Å; D146-N148 WeakPolarHBondContact OD1-CA 3.49Å; D146-N148 WeakPolarHBondContact OD1-CB 3.33Å; D146-N148 PolarHBondContact OD1-N 3.45Å; D146-N148 PolarHBondContact OD2-ND2 3.31Å; N148-T150 VanDerWaalsContact C-N 3.26Å; N148-T150 PolarHBondContact O-N 3.08Å
149C88.9Confident91.7Very high12 Ų1214 Ų148%0.0818%0.083CC..  trans65.719.8-168.4-124.20000115.2Q120 D146 V151 L536Q120-C149 PolarHBondContact NE2-O 3.36Å; D146-C149 PolarHBondContact O-N 2.86Å; D146-C149 PolarHBondContact OD1-N 3.39Å; C149-V151 PolarHBondContact O-N 2.89Å; C149-L536 HydrophobicContact CB-CD2 3.77Å
150T94.1Very high91.1Very high45 Ų4514.9 Ų14.928%0.2769%0.086SC..  trans-65121.6170.1-44.40000109.4M95 L145 D146 N148M95-T150 VanDerWaalsContact CE-O 3.32Å; M95-T150 WeakPolarHBondContact CE-O 3.47Å; L145-T150 WeakPolarHBondContact CA-O 3.3Å; D146-T150 VanDerWaalsContact CG-CB 3.47Å; D146-T150 VanDerWaalsContact CG-OG1 3.26Å; D146-T150 PolarHBondContact N-O 2.65Å; D146-T150 WeakPolarHBondContact OD1-CA 3.33Å; D146-T150 VanDerWaalsContact OD1-CB 3.27Å; D146-T150 WeakPolarHBondContact OD1-CB 3.46Å; D146-T150 PolarHBondContact OD1-N 3.37Å; D146-T150 PolarHBondContact OD1-OG1 2.55Å; D146-T150 VanDerWaalsContact OD1-OG1 3.11Å; D146-T150 WeakPolarHBondContact OD2-CB 3.25Å; D146-T150 PolarHBondContact OD2-OG1 3.13Å; N148-T150 VanDerWaalsContact C-N 3.26Å; N148-T150 PolarHBondContact O-N 3.08Å
151V97Very high90.5Very high0 Ų015.2 Ų15.20%09%0.089CC..EExtended strand (participates in β ladder)trans-88.7132.2177.2173.10000110.6N72 I117 Q120 L121 V143 L144 L145 C149N72-V151 WeakPolarHBondContact CA-O 3.42Å; N72-V151 WeakPolarHBondContact CB-O 3.15Å; N72-V151 PolarHBondContact ND2-O 3.15Å; N72-V151 VanDerWaalsContact ND2-O 3.15Å; I117-V151 HydrophobicContact CB-CG2 4.12Å; I117-V151 HydrophobicContact CG1-CG2 4.16Å; I117-V151 HydrophobicContact CG2-CG2 3.85Å; Q120-V151 HydrophobicContact CB-CB 3.7Å; Q120-V151 HydrophobicContact CB-CG1 4.44Å; Q120-V151 HydrophobicContact CB-CG2 3.88Å; L121-V151 HydrophobicContact CB-CG1 4.44Å; L121-V151 HydrophobicContact CD1-CG1 4.47Å; V143-V151 HydrophobicContact CG1-CG1 3.7Å; L144-V151 WeakPolarHBondContact O-CA 3.45Å; L145-V151 HydrophobicContact CD2-CG2 3.7Å; C149-V151 PolarHBondContact O-N 2.89Å
152K97.4Very high89.7Confident14 Ų1416.8 Ų16.86%0.06110%0.095CC..EExtended strand (participates in β ladder)trans-127.4119.3169.5-67.9-78.8-171.1149.40110.9P71 I73 I74 E93 M95 L144P71-K152 WeakPolarHBondContact O-CD 3.43Å; P71-K152 WeakPolarHBondContact O-CE 3.1Å; I73-K152 WeakPolarHBondContact O-CD 3.43Å; I73-K152 PolarHBondContact O-NZ 2.96Å; I74-K152 HydrophobicContact CD1-CB 4.2Å; E93-K152 VanDerWaalsContact CD-CE 3.48Å; E93-K152 VanDerWaalsContact CD-NZ 3.27Å; E93-K152 WeakPolarHBondContact OE1-CD 3.35Å; E93-K152 WeakPolarHBondContact OE1-CE 3.17Å; E93-K152 IonicContact OE1-NZ 3.96Å; E93-K152 PolarHBondContact OE1-NZ 3Å; E93-K152 WeakPolarHBondContact OE2-CE 3.39Å; E93-K152 IonicContact OE2-NZ 3.86Å; E93-K152 PolarHBondContact OE2-NZ 2.83Å; M95-K152 HydrophobicContact CE-CB 3.87Å; M95-K152 HydrophobicContact CE-CG 3.51Å; M95-K152 HydrophobicContact CG-CB 4.36Å; M95-K152 HydrophobicContact CG-CG 4.48Å; M95-K152 HydrophobicContact SD-CB 4.15Å; M95-K152 HydrophobicContact SD-CG 3.66Å; L144-K152 HydrophobicContact CB-CB 4.29Å; L144-K152 VanDerWaalsContact CB-O 3.32Å; L144-K152 WeakPolarHBondContact CB-O 3.48Å; L144-K152 PolarHBondContact N-O 2.79Å; L144-K152 PolarHBondContact O-N 2.85Å
153L97.6Very high88.3Confident0 Ų020.4 Ų20.40%013%0.132CC..EExtended strand (participates in β ladder)trans-82136.6176.1-177.957000111N72 I74 L121 A124 L128 Q138 N142 V143 F156N72-L153 PolarHBondContact O-N 2.91Å; I74-L153 PolarHBondContact N-O 3.1Å; I74-L153 VanDerWaalsContact N-O 3.11Å; L121-L153 HydrophobicContact CD1-CB 4.45Å; L121-L153 HydrophobicContact CD1-CD1 4.13Å; L121-L153 HydrophobicContact CD1-CD2 4.29Å; A124-L153 HydrophobicContact CB-CB 4.23Å; A124-L153 HydrophobicContact CB-CD2 4.08Å; L128-L153 HydrophobicContact CD1-CD2 3.84Å; Q138-L153 HydrophobicContact CG-CD1 4.44Å; N142-L153 WeakPolarHBondContact O-CD1 3.27Å; V143-L153 HydrophobicContact CG2-CD1 4.46Å; L153-F156 HydrophobicContact CG-CZ 4.17Å; L153-F156 WeakPolarHBondContact O-CE2 3.41Å
154C94.1Very high86.5Confident1 Ų122.6 Ų22.61%0.00714%0.144CC..  trans-138.3176.1-174.273.30000114.7I74 H135 N142 L144 Y521I74-C154 HydrophobicContact CB-CB 4.29Å; I74-C154 HydrophobicContact CG2-CB 3.76Å; H135-C154 PolarHBondContact CE1-O 3.02Å; H135-C154 PolarHBondContact NE2-O 2.83Å; N142-C154 PolarHBondContact O-N 3Å; N142-C154 VanDerWaalsContact O-N 3.08Å; N142-C154 PolarHBondContact O-SG 3.11Å; L144-C154 HydrophobicContact CD1-CB 3.75Å; L144-C154 HydrophobicContact CG-CB 4.4Å; C154-Y521 HydrophobicContact CB-CD1 3.94Å; C154-Y521 HydrophobicContact CB-CE1 4.49Å; C154-Y521 HydrophobicContact CB-CG 4.32Å
155D89Confident84.7Confident3 Ų324.9 Ų24.92%0.01616%0.156CC..  trans64.665.8179.1-163.4-2.3000115.2R56 H135 G157 G520R56-D155 IonicContact CZ-OD1 3.2Å; R56-D155 VanDerWaalsContact NH2-CG 3.3Å; R56-D155 IonicContact NH2-OD1 2.73Å; R56-D155 PolarHBondContact NH2-OD1 3.33Å; R56-D155 IonicContact NH2-OD2 3.62Å; R56-D155 PolarHBondContact NH2-OD2 3.38Å; R56-D155 VanDerWaalsContact NH2-OD2 3.14Å; H135-D155 PolarHBondContact CE1-O 2.85Å; D155-G157 VanDerWaalsContact C-N 3.26Å; D155-G157 PolarHBondContact O-N 2.9Å; D155-G520 WeakPolarHBondContact OD2-CA 3.36Å
156F90.4Very high82.7Confident0 Ų027.6 Ų27.60%017%0.174CC..G310 helixtrans-81.27.7-179.4-64.8-82.3000114.7L63 L64 F67 I73 L128 H135 L153 L158 A159L63-F156 HydrophobicContact CB-CB 4.4Å; L63-F156 HydrophobicContact CD1-CB 4.17Å; L64-F156 HydrophobicContact CD2-CD2 3.55Å; L64-F156 HydrophobicContact CD2-CE2 3.73Å; L64-F156 HydrophobicContact CG-CD2 4.03Å; F67-F156 HydrophobicContact CD2-CE1 4.38Å; F67-F156 HydrophobicContact CD2-CE2 4.47Å; F67-F156 HydrophobicContact CD2-CZ 4.32Å; F67-F156 AromaticContact CE2-CD1 3.65Å; F67-F156 HydrophobicContact CE2-CD1 3.65Å; F67-F156 HydrophobicContact CE2-CD2 4.32Å; F67-F156 AromaticContact CE2-CE1 3.67Å; F67-F156 HydrophobicContact CE2-CE1 3.67Å; F67-F156 HydrophobicContact CE2-CE2 4.35Å; F67-F156 AromaticContact CE2-CG 3.98Å; F67-F156 HydrophobicContact CE2-CG 3.98Å; F67-F156 HydrophobicContact CE2-CZ 4.04Å; F67-F156 HydrophobicContact CZ-CD1 4.36Å; F67-F156 HydrophobicContact CZ-CE1 4.46Å; I73-F156 HydrophobicContact CG1-CZ 4.36Å; I73-F156 HydrophobicContact CG2-CE2 3.8Å; I73-F156 HydrophobicContact CG2-CZ 3.8Å; L128-F156 HydrophobicContact CD1-CE1 3.85Å; L128-F156 HydrophobicContact CD2-CD1 4.48Å; L128-F156 HydrophobicContact CD2-CE1 3.77Å; L128-F156 HydrophobicContact CG-CE1 4.46Å; H135-F156 AromaticContact CD2-CD1 3.76Å; H135-F156 AromaticContact CD2-CE1 3.49Å; H135-F156 VanDerWaalsContact CD2-CE1 3.49Å; H135-F156 WeakPolarHBondContact CD2-CE1 3.39Å; H135-F156 AromaticContact NE2-CE1 3.97Å; L153-F156 HydrophobicContact CG-CZ 4.17Å; L153-F156 WeakPolarHBondContact O-CE2 3.41Å; F156-L158 PolarHBondContact O-N 3.38Å; F156-A159 HydrophobicContact CB-CB 4.26Å; F156-A159 HydrophobicContact CD1-CB 4.27Å; F156-A159 VanDerWaalsContact O-CB 3.24Å; F156-A159 WeakPolarHBondContact O-CB 3.45Å; F156-A159 PolarHBondContact O-N 2.04Å
157G82.6Confident80.6Confident0 Ų035.7 Ų35.70%021%0.211CC..G310 helixtrans-61.8-29.3-17700000114.4D155 R160D155-G157 VanDerWaalsContact C-N 3.26Å; D155-G157 PolarHBondContact O-N 2.9Å; G157-R160 PolarHBondContact O-NH1 3.2Å
158L83.9Confident78.7Confident23 Ų2335.3 Ų35.312%0.1221%0.211CC..G310 helixtrans-91-9.7176.9-64.2-178.9000113.9H135 R136 D137 F156 R160H135-L158 CarbonylContact O-C 3.5Å; R136-L158 PolarHBondContact NH1-O 3.43Å; D137-L158 HydrophobicContact CB-CB 4.26Å; D137-L158 HydrophobicContact CB-CD1 3.85Å; F156-L158 PolarHBondContact O-N 3.38Å; L158-R160 PolarHBondContact O-NH1 3.16Å
159A87.7Confident76.8Confident0 Ų034.6 Ų34.60%021%0.211CC..  trans-65.1156.8179.400000111.9R59 L63 V133 V134 H135 F156R59-A159 WeakPolarHBondContact CD-O 3.42Å; L63-A159 HydrophobicContact CD1-CB 3.77Å; V133-A159 HydrophobicContact CG1-CB 4.08Å; V134-A159 CarbonylContact O-C 3.35Å; V134-A159 WeakPolarHBondContact O-CA 3.46Å; V134-A159 WeakPolarHBondContact O-CB 3.31Å; H135-A159 WeakPolarHBondContact O-CA 3.31Å; H135-A159 PolarHBondContact O-N 2.88Å; F156-A159 HydrophobicContact CB-CB 4.26Å; F156-A159 HydrophobicContact CD1-CB 4.27Å; F156-A159 VanDerWaalsContact O-CB 3.24Å; F156-A159 WeakPolarHBondContact O-CB 3.45Å; F156-A159 PolarHBondContact O-N 2.04Å
160R83.1Confident74.7Confident32 Ų3242 Ų4212%0.12125%0.245CC..EExtended strand (participates in β ladder)trans-147.1146.3177.9-64.1-64.4-177.9-85.13.8110.2R59 V133 V134 G157 L158 L165R59-R160 VanDerWaalsContact CZ-NH1 3.33Å; V133-R160 WeakPolarHBondContact CA-O 3.4Å; V134-R160 PolarHBondContact N-O 3.14Å; V134-R160 PolarHBondContact O-N 2.93Å; G157-R160 PolarHBondContact O-NH1 3.2Å; L158-R160 PolarHBondContact O-NH1 3.16Å; R160-L165 HydrophobicContact CB-CD2 4.17Å; R160-L165 HydrophobicContact CG-CD2 4.21Å
161S82.2Confident72.4Confident8 Ų843.9 Ų43.96%0.05625%0.253CS..EExtended strand (participates in β ladder)trans-71.2145.2159.3-161.70000108.7H132 G163 D164 V320H132-S161 CarbonylContact O-C 3.58Å; H132-S161 WeakPolarHBondContact O-CA 3.45Å; S161-G163 PolarHBondContact O-N 3.47Å; S161-D164 WeakPolarHBondContact CB-OD2 3.34Å; S161-D164 PolarHBondContact N-OD2 2.99Å; S161-D164 WeakPolarHBondContact O-CB 3.36Å; S161-D164 PolarHBondContact O-N 2.92Å; S161-V320 WeakPolarHBondContact CB-O 3.05Å; S161-V320 PolarHBondContact OG-O 3.27Å
162L75.2Confident70Confident51 Ų5145 Ų4527%0.26726%0.258SS..G310 helixtrans-61.7-26.7177.7-73.1175.1000112.5H132 V134 D164 L165 L197H132-L162 HydrophobicContact CB-CD1 4.44Å; H132-L162 PolarHBondContact O-N 3.37Å; V134-L162 HydrophobicContact CG2-CD2 3.68Å; V134-L162 HydrophobicContact CG2-CG 4.13Å; L162-D164 VanDerWaalsContact C-N 3.33Å; L162-L165 HydrophobicContact CD2-CD1 3.87Å; L162-L197 HydrophobicContact CD1-CD2 3.79Å; L162-L197 HydrophobicContact CD1-CG 4.05Å; L162-L197 HydrophobicContact CG-CD2 4.46Å
163G63.8Low67.3Low75 Ų7546.5 Ų46.577%0.77327%0.273SS*.G310 helixtrans-76-13.5172.900000115S161 L165S161-G163 PolarHBondContact O-N 3.47Å; G163-L165 VanDerWaalsContact C-N 3.32Å
164D59.2Low64.6Low46 Ų4653 Ų5325%0.24631%0.307CS..G310 helixtrans-87-1.1178.4-54.9-28.5000112.6S161 L162 P166S161-D164 WeakPolarHBondContact CB-OD2 3.34Å; S161-D164 PolarHBondContact N-OD2 2.99Å; S161-D164 WeakPolarHBondContact O-CB 3.36Å; S161-D164 PolarHBondContact O-N 2.92Å; L162-D164 VanDerWaalsContact C-N 3.33Å; D164-P166 WeakPolarHBondContact O-CD 3.41Å
165L59Low62.5Low48 Ų4854.9 Ų54.925%0.25132%0.319SS..  trans-85.3114.3-173-67.8173.4000110.4R160 L162 G163R160-L165 HydrophobicContact CB-CD2 4.17Å; R160-L165 HydrophobicContact CG-CD2 4.21Å; L162-L165 HydrophobicContact CD2-CD1 3.87Å; G163-L165 VanDerWaalsContact C-N 3.32Å
166P50.8Low60.5Low63 Ų6355.5 Ų55.541%0.40932%0.322SS..  trans-70.3141.2177.529.9-34.6000110.5D164 G168 Q172D164-P166 WeakPolarHBondContact O-CD 3.41Å; P166-G168 PolarHBondContact O-N 3.26Å; P166-G168 VanDerWaalsContact O-N 3.13Å; P166-Q172 PolarHBondContact O-NE2 2.83Å
167E46.3Very low58.6Low198 Ų19863.8 Ų63.893%0.92535%0.354SS*.SBendtrans-68.4-6.9176.2-57.6-171.1141.400113.4
168G45.6Very low57Low33 Ų3367.3 Ų67.334%0.3438%0.375SS..  trans-89147179.900000114.3P166P166-G168 PolarHBondContact O-N 3.26Å; P166-G168 VanDerWaalsContact O-N 3.13Å
169P45.9Very low55.9Low75 Ų7567 Ų6749%0.48738%0.376SS..SBendtrans-77.9-24.7-174.530.2-35.7000115.1Q172P169-Q172 PolarHBondContact O-N 3.36Å
170E44.3Very low55.1Low168 Ų16869.1 Ų69.179%0.78539%0.389SS*.Hα-helixtrans-73.8-42.9-159.3-54.9-163.2155.600114.1Q172E170-Q172 VanDerWaalsContact C-N 3.3Å; E170-Q172 PolarHBondContact O-N 2.85Å
171D45.4Very low55.4Low84 Ų8470.7 Ų70.745%0.44940%0.395SS..Hα-helixtrans-72-21.9176.1-92.9-35.9000113.3Q329D171-Q329 PolarHBondContact OD2-NE2 3.04Å
172Q47.5Very low56Low23 Ų2374.4 Ų74.411%0.10741%0.408CS..Hα-helixtrans-71.7-43.9-176.6-59.5-170.76.400111.2P166 P169 E170 L174 T175P166-Q172 PolarHBondContact O-NE2 2.83Å; P169-Q172 PolarHBondContact O-N 3.36Å; E170-Q172 VanDerWaalsContact C-N 3.3Å; E170-Q172 PolarHBondContact O-N 2.85Å; Q172-L174 VanDerWaalsContact C-N 3.34Å; Q172-L174 PolarHBondContact O-N 3.16Å; Q172-T175 PolarHBondContact O-OG1 3.2Å
173A40.4Very low57Low45 Ų4572.8 Ų72.837%0.37240%0.398SS..Hα-helixtrans-63.5-33.8-175.600000113.9T175 E176A173-T175 VanDerWaalsContact C-N 3.35Å; A173-T175 PolarHBondContact O-N 3.34Å; A173-E176 WeakPolarHBondContact O-CB 3.43Å; A173-E176 PolarHBondContact O-N 3.35Å
174L40.6Very low58.3Low138 Ų13870.9 Ų70.972%0.72337%0.368SS*.Hα-helixtrans-68.2-29.1-173.4-72.4170.3000113.9Q172Q172-L174 VanDerWaalsContact C-N 3.34Å; Q172-L174 PolarHBondContact O-N 3.16Å
175T49.3Very low59.9Low40 Ų4068.7 Ų68.725%0.24536%0.356CS..Hα-helixtrans-85-10.9172.851.40000113.5Q172 A173 Y177Q172-T175 PolarHBondContact O-OG1 3.2Å; A173-T175 VanDerWaalsContact C-N 3.35Å; A173-T175 PolarHBondContact O-N 3.34Å; T175-Y177 PolarHBondContact O-N 3.46Å
176E48.4Very low61.4Low16 Ų1666.4 Ų66.48%0.07534%0.344CS..Hα-helixtrans-79.4-19.5-169.8-157.1160.9-99.700113.3A173 R184 V188 S191 Y195A173-E176 WeakPolarHBondContact O-CB 3.43Å; A173-E176 PolarHBondContact O-N 3.35Å; E176-R184 PolarHBondContact O-NH1 2.99Å; E176-R184 PolarHBondContact O-NH2 3.48Å; E176-V188 HydrophobicContact CG-CG1 4.4Å; E176-S191 WeakPolarHBondContact OE2-CB 3.32Å; E176-S191 PolarHBondContact OE2-OG 3Å; E176-Y195 PolarHBondContact OE1-OH 2.73Å
177Y49.4Very low63.1Low173 Ų17363.7 Ų63.768%0.67833%0.326SS*.THydrogen-bonded Turntrans-88.4-15.1-169-88.1-92.1000117.4T175T175-Y177 PolarHBondContact O-N 3.46Å
178V49.8Very low65Low75 Ų7554.8 Ų54.846%0.45529%0.285SS..SBendtrans-110.81.1-153.5-153.50000115.5L518V178-L518 HydrophobicContact CB-CD1 3.68Å; V178-L518 HydrophobicContact CB-CG 4.27Å; V178-L518 HydrophobicContact CG1-CD1 3.85Å; V178-L518 HydrophobicContact CG1-CG 3.85Å
179A59.3Low66.9Low15 Ų1553.8 Ų53.812%0.12427%0.272CS..SBendtrans-117.5163.8-176.600000114.1R181A179-R181 PolarHBondContact O-N 3.42Å; A179-R181 VanDerWaalsContact O-N 3.1Å
180T72.4Confident68.7Low45 Ų4551 Ų5128%0.27625%0.253SS..  trans-58110.2-179.7-49.80000111.7W182 Y183T180-W182 VanDerWaalsContact C-N 3.29Å; T180-W182 HydrophobicContact CG2-CB 4.36Å; T180-W182 HydrophobicContact CG2-CD2 3.87Å; T180-W182 HydrophobicContact CG2-CE3 4.02Å; T180-W182 HydrophobicContact CG2-CG 4.01Å; T180-W182 PolarHBondContact O-N 3.43Å; T180-Y183 HydrophobicContact CG2-CD2 4.3Å; T180-Y183 HydrophobicContact CG2-CE2 3.88Å
181R88.6Confident70.1Confident66 Ų6645.9 Ų45.925%0.24924%0.235CC..G310 helixtrans-74.7-10.2-170.669.3179.670.680.50.4116.1A179 Y183 R184 L189 G220 T221 S222 Q226A179-R181 PolarHBondContact O-N 3.42Å; A179-R181 VanDerWaalsContact O-N 3.1Å; R181-Y183 PolarHBondContact O-N 3.26Å; R181-Y183 VanDerWaalsContact O-N 3.17Å; R181-R184 WeakPolarHBondContact O-CB 3.41Å; R181-R184 PolarHBondContact O-N 2.95Å; R181-R184 VanDerWaalsContact O-N 3.15Å; R181-L189 HydrophobicContact CB-CD2 4.43Å; R181-G220 WeakPolarHBondContact CD-O 3.26Å; R181-G220 PolarHBondContact NH1-O 3.42Å; R181-T221 PolarHBondContact NH1-O 3.06Å; R181-S222 VanDerWaalsContact CD-C 3.49Å; R181-S222 VanDerWaalsContact CD-O 3.31Å; R181-S222 WeakPolarHBondContact CD-O 3.39Å; R181-Q226 HydrophobicContact CB-CG 4.47Å; R181-Q226 HydrophobicContact CG-CB 4.23Å; R181-Q226 HydrophobicContact CG-CG 4.14Å
182W95.1Very high71.3Confident86 Ų8642.3 Ų42.333%0.32622%0.217SC..G310 helixtrans-62.3-25.2-170.7-55.3-18.4000114.6T180 C206 P216 F218 P219 G220 Q226T180-W182 VanDerWaalsContact C-N 3.29Å; T180-W182 HydrophobicContact CG2-CB 4.36Å; T180-W182 HydrophobicContact CG2-CD2 3.87Å; T180-W182 HydrophobicContact CG2-CE3 4.02Å; T180-W182 HydrophobicContact CG2-CG 4.01Å; T180-W182 PolarHBondContact O-N 3.43Å; W182-C206 PolarHBondContact O-SG 3.35Å; W182-P216 HydrophobicContact CE3-CB 3.9Å; W182-P216 HydrophobicContact CE3-CG 3.65Å; W182-P216 HydrophobicContact CZ3-CB 4.33Å; W182-P216 HydrophobicContact CZ3-CG 3.62Å; W182-F218 WeakPolarHBondContact CA-O 3.48Å; W182-F218 WeakPolarHBondContact CB-O 3.31Å; W182-P219 HydrophobicContact CD2-CB 4.5Å; W182-P219 HydrophobicContact CZ2-CB 4.37Å; W182-P219 VanDerWaalsContact NE1-C 3.33Å; W182-G220 PolarHBondContact NE1-O 3.47Å; W182-Q226 PolarHBondContact O-NE2 2.91Å
183Y95.7Very high72.1Confident16 Ų1647.1 Ų47.16%0.06324%0.239CC..G310 helixtrans-1031.3-177-45.9-81000112.9Q138 K139 P140 T180 R181 S203 C206 I207 E210Q138-Y183 WeakPolarHBondContact O-CB 3.21Å; K139-Y183 HydrophobicContact CB-CD1 4.15Å; K139-Y183 HydrophobicContact CB-CD2 3.41Å; K139-Y183 VanDerWaalsContact CB-CD2 3.41Å; K139-Y183 HydrophobicContact CB-CE1 4.29Å; K139-Y183 HydrophobicContact CB-CE2 3.55Å; K139-Y183 HydrophobicContact CB-CG 3.73Å; K139-Y183 HydrophobicContact CD-CD2 4.41Å; K139-Y183 HydrophobicContact CD-CE2 4.42Å; P140-Y183 WeakPolarHBondContact CD-OH 3.24Å; P140-Y183 HydrophobicContact CG-CE1 3.92Å; T180-Y183 HydrophobicContact CG2-CD2 4.3Å; T180-Y183 HydrophobicContact CG2-CE2 3.88Å; R181-Y183 PolarHBondContact O-N 3.26Å; R181-Y183 VanDerWaalsContact O-N 3.17Å; Y183-S203 WeakPolarHBondContact O-CA 3.46Å; Y183-S203 PolarHBondContact O-OG 3.33Å; Y183-S203 VanDerWaalsContact O-OG 3.1Å; Y183-C206 HydrophobicContact CD1-CB 3.7Å; Y183-I207 HydrophobicContact CD1-CG1 4.43Å; Y183-E210 VanDerWaalsContact CE1-OE2 3.3Å; Y183-E210 WeakPolarHBondContact CE1-OE2 3.36Å; Y183-E210 PolarHBondContact OH-OE2 2.95Å; Y183-E210 VanDerWaalsContact OH-OE2 3.06Å
184R92.4Very high73.3Confident35 Ų3550.7 Ų50.713%0.13224%0.243CC..  trans-81.3139.2-174.2-65.7179.2178.5-171.5-12.3112.1E176 R181 L189 W202E176-R184 PolarHBondContact O-NH1 2.99Å; E176-R184 PolarHBondContact O-NH2 3.48Å; R181-R184 WeakPolarHBondContact O-CB 3.41Å; R181-R184 PolarHBondContact O-N 2.95Å; R181-R184 VanDerWaalsContact O-N 3.15Å; R184-L189 HydrophobicContact CB-CD1 4.41Å; R184-L189 HydrophobicContact CB-CD2 3.96Å; R184-L189 HydrophobicContact CB-CG 3.96Å; R184-L189 WeakPolarHBondContact O-CD1 3.05Å; R184-W202 VanDerWaalsContact C-CD1 3.46Å; R184-W202 PolarHBondContact O-NE1 3.38Å
185A92.2Very high74.8Confident0 Ų045 Ų450%021%0.212CC..  trans-70.5152.7178.100000112.9E187 V188 L189 W202A185-E187 VanDerWaalsContact C-N 3.29Å; A185-E187 VanDerWaalsContact CB-CD 3.41Å; A185-E187 HydrophobicContact CB-CG 4.49Å; A185-E187 VanDerWaalsContact CB-OE1 3.22Å; A185-E187 WeakPolarHBondContact CB-OE1 3.35Å; A185-E187 VanDerWaalsContact CB-OE2 3.29Å; A185-E187 WeakPolarHBondContact CB-OE2 3.49Å; A185-E187 PolarHBondContact O-N 3.43Å; A185-V188 HydrophobicContact CB-CG2 4.36Å; A185-V188 WeakPolarHBondContact O-CB 3.26Å; A185-V188 PolarHBondContact O-N 3.3Å; A185-L189 PolarHBondContact O-N 3.09Å; A185-W202 HydrophobicContact CB-CB 3.71Å; A185-W202 HydrophobicContact CB-CD2 4.36Å; A185-W202 HydrophobicContact CB-CG 3.67Å
186P90.6Very high76.6Confident0 Ų045 Ų450%021%0.212CC..Hα-helixtrans-52.6-41.7179.6-27.834.6000114.1V188 L189 L190 W202 L227 I230 F287P186-V188 VanDerWaalsContact C-N 3.3Å; P186-V188 PolarHBondContact O-N 3.5Å; P186-L189 PolarHBondContact O-N 2.67Å; P186-L190 VanDerWaalsContact O-CB 3.32Å; P186-L190 WeakPolarHBondContact O-CB 3.32Å; P186-L190 WeakPolarHBondContact O-CD1 3.3Å; P186-L190 WeakPolarHBondContact O-CG 3.28Å; P186-L190 PolarHBondContact O-N 2.91Å; P186-W202 HydrophobicContact CG-CE3 4.25Å; P186-W202 HydrophobicContact CG-CH2 4.1Å; P186-W202 HydrophobicContact CG-CZ2 4.39Å; P186-W202 HydrophobicContact CG-CZ3 4Å; P186-L227 HydrophobicContact CB-CD1 4.32Å; P186-I230 HydrophobicContact CG-CG2 4.21Å; P186-F287 HydrophobicContact CB-CD2 3.84Å; P186-F287 HydrophobicContact CB-CE2 3.6Å; P186-F287 HydrophobicContact CB-CZ 4.14Å; P186-F287 HydrophobicContact CG-CD2 4.06Å; P186-F287 HydrophobicContact CG-CE2 4.31Å
187E86.6Confident78.7Confident6 Ų646.7 Ų46.73%0.02822%0.221CC..Hα-helixtrans-63.7-33178.867.4-80.7-167.700112.8A185 L190 S191 S192 V199 P289 R292A185-E187 VanDerWaalsContact C-N 3.29Å; A185-E187 VanDerWaalsContact CB-CD 3.41Å; A185-E187 HydrophobicContact CB-CG 4.49Å; A185-E187 VanDerWaalsContact CB-OE1 3.22Å; A185-E187 WeakPolarHBondContact CB-OE1 3.35Å; A185-E187 VanDerWaalsContact CB-OE2 3.29Å; A185-E187 WeakPolarHBondContact CB-OE2 3.49Å; A185-E187 PolarHBondContact O-N 3.43Å; E187-L190 PolarHBondContact O-N 3.35Å; E187-S191 PolarHBondContact O-N 3.41Å; E187-S192 VanDerWaalsContact O-CB 3.3Å; E187-S192 WeakPolarHBondContact O-CB 3.45Å; E187-S192 PolarHBondContact O-N 2.84Å; E187-V199 HydrophobicContact CG-CG2 4.36Å; E187-V199 WeakPolarHBondContact OE1-CG2 3.02Å; E187-P289 HydrophobicContact CG-CG 4.5Å; E187-R292 IonicContact OE1-CZ 3.9Å; E187-R292 IonicContact OE1-NH1 3.13Å; E187-R292 PolarHBondContact OE1-NH1 3.07Å; E187-R292 IonicContact OE1-NH2 3.55Å; E187-R292 IonicContact OE2-CZ 3.23Å; E187-R292 IonicContact OE2-NH1 2.65Å; E187-R292 PolarHBondContact OE2-NH1 2.81Å; E187-R292 IonicContact OE2-NH2 3.73Å; E187-R292 PolarHBondContact OE2-NH2 2.71Å
188V85.8Confident80.9Confident12 Ų1238.8 Ų38.87%0.07319%0.193CC..Hα-helixtrans-75.6-39.7174.2-179.90000110.9E176 A185 P186 L190 S191 Y195 V199E176-V188 HydrophobicContact CG-CG1 4.4Å; A185-V188 HydrophobicContact CB-CG2 4.36Å; A185-V188 WeakPolarHBondContact O-CB 3.26Å; A185-V188 PolarHBondContact O-N 3.3Å; P186-V188 VanDerWaalsContact C-N 3.3Å; P186-V188 PolarHBondContact O-N 3.5Å; V188-L190 PolarHBondContact O-N 3.32Å; V188-S191 PolarHBondContact O-N 3.31Å; V188-Y195 HydrophobicContact CG1-CE1 4.42Å; V188-Y195 HydrophobicContact CG2-CD1 4.32Å; V188-Y195 HydrophobicContact CG2-CE1 3.67Å; V188-V199 HydrophobicContact CG2-CG1 3.89Å; V188-V199 HydrophobicContact CG2-CG2 3.94Å
189L86Confident82.9Confident11 Ų1135.4 Ų35.46%0.05817%0.172CC..Hα-helixtrans-69.4-12.1175.2-65.2167.4000113.3R181 R184 A185 P186 T223 Q226 I230R181-L189 HydrophobicContact CB-CD2 4.43Å; R184-L189 HydrophobicContact CB-CD1 4.41Å; R184-L189 HydrophobicContact CB-CD2 3.96Å; R184-L189 HydrophobicContact CB-CG 3.96Å; R184-L189 WeakPolarHBondContact O-CD1 3.05Å; A185-L189 PolarHBondContact O-N 3.09Å; P186-L189 PolarHBondContact O-N 2.67Å; L189-T223 HydrophobicContact CB-CG2 4.34Å; L189-T223 HydrophobicContact CD2-CG2 4.01Å; L189-T223 WeakPolarHBondContact O-CG2 3.37Å; L189-Q226 HydrophobicContact CD1-CB 4.36Å; L189-Q226 HydrophobicContact CD1-CG 3.49Å; L189-Q226 VanDerWaalsContact CD1-CG 3.49Å; L189-Q226 HydrophobicContact CD2-CB 4.35Å; L189-Q226 HydrophobicContact CD2-CG 3.84Å; L189-Q226 HydrophobicContact CG-CG 4.34Å; L189-I230 HydrophobicContact CD1-CD1 3.58Å
190L83Confident84.7Confident17 Ų1734.7 Ų34.79%0.08917%0.166CC..THydrogen-bonded Turntrans-106.34.4176.2-71.8168.8000113.1P186 E187 V188 S192 L227 L245 C249 V253 F287P186-L190 VanDerWaalsContact O-CB 3.32Å; P186-L190 WeakPolarHBondContact O-CB 3.32Å; P186-L190 WeakPolarHBondContact O-CD1 3.3Å; P186-L190 WeakPolarHBondContact O-CG 3.28Å; P186-L190 PolarHBondContact O-N 2.91Å; E187-L190 PolarHBondContact O-N 3.35Å; V188-L190 PolarHBondContact O-N 3.32Å; L190-S192 PolarHBondContact O-N 2.97Å; L190-L227 HydrophobicContact CD1-CD2 4.35Å; L190-L227 HydrophobicContact CD2-CD2 3.6Å; L190-L227 HydrophobicContact CG-CD2 3.79Å; L190-L245 HydrophobicContact CD1-CD1 4.2Å; L190-L245 HydrophobicContact CD1-CD2 4.35Å; L190-C249 HydrophobicContact CB-CB 4.13Å; L190-C249 HydrophobicContact CD2-CB 4.35Å; L190-C249 PolarHBondContact O-SG 3.14Å; L190-V253 HydrophobicContact CD1-CG2 3.5Å; L190-V253 VanDerWaalsContact CD1-CG2 3.5Å; L190-V253 HydrophobicContact CD2-CG2 3.73Å; L190-V253 HydrophobicContact CG-CG2 4.26Å; L190-F287 HydrophobicContact CD1-CE2 4.47Å; L190-F287 HydrophobicContact CD1-CZ 3.94Å
191S74.7Confident86Confident60 Ų6032.7 Ų32.742%0.4215%0.154SC..THydrogen-bonded Turntrans51.239.9-176.3-49.40000113.2E176 E187 V188E176-S191 WeakPolarHBondContact OE2-CB 3.32Å; E176-S191 PolarHBondContact OE2-OG 3Å; E187-S191 PolarHBondContact O-N 3.41Å; V188-S191 PolarHBondContact O-N 3.31Å
192S68.8Low86.4Confident9 Ų929.5 Ų29.56%0.06314%0.142CC..  trans-76.3133.8-179.1-164.90000111.6E187 L190 R194E187-S192 VanDerWaalsContact O-CB 3.3Å; E187-S192 WeakPolarHBondContact O-CB 3.45Å; E187-S192 PolarHBondContact O-N 2.84Å; L190-S192 PolarHBondContact O-N 2.97Å; S192-R194 PolarHBondContact O-N 3.47Å; S192-R194 VanDerWaalsContact O-N 3.11Å
193H64.4Low86.5Confident124 Ų12425.6 Ų25.657%0.57413%0.128SC*.SBendtrans-63.4-17.5-179.6-48.2-48.9000114.1Y195H193-Y195 PolarHBondContact O-N 2.92Å; H193-Y195 VanDerWaalsContact O-N 3.14Å
194R65.4Low86.7Confident120 Ų12024.9 Ų24.945%0.45313%0.125SC..  trans-8774177.8-65.1-150.2-55.3-82.9-5.5112.4S192 A244S192-R194 PolarHBondContact O-N 3.47Å; S192-R194 VanDerWaalsContact O-N 3.11Å; R194-A244 VanDerWaalsContact CZ-O 3.25Å; R194-A244 PolarHBondContact NH1-O 3.39Å; R194-A244 PolarHBondContact NH2-O 3.23Å
195Y72.9Confident87Confident20 Ų2023.2 Ų23.28%0.07812%0.118CC..  trans-68.4136162-83.8-94.1000110.5R136 E176 V188 H193 V199R136-Y195 VanDerWaalsContact NE-CE1 3.34Å; R136-Y195 VanDerWaalsContact NH2-CE1 3.31Å; R136-Y195 VanDerWaalsContact NH2-CZ 3.31Å; R136-Y195 PolarHBondContact NH2-OH 2.98Å; R136-Y195 VanDerWaalsContact NH2-OH 3.14Å; E176-Y195 PolarHBondContact OE1-OH 2.73Å; V188-Y195 HydrophobicContact CG1-CE1 4.42Å; V188-Y195 HydrophobicContact CG2-CD1 4.32Å; V188-Y195 HydrophobicContact CG2-CE1 3.67Å; H193-Y195 PolarHBondContact O-N 2.92Å; H193-Y195 VanDerWaalsContact O-N 3.14Å; Y195-V199 HydrophobicContact CD1-CG2 4.2Å
196T87.1Confident87.3Confident40 Ų4023.3 Ų23.325%0.24512%0.119CC..  trans-144.7171.8-177.968.70000111.3G198 V199 P289T196-G198 PolarHBondContact O-N 3.44Å; T196-G198 VanDerWaalsContact O-N 3.15Å; T196-G198 PolarHBondContact OG1-N 2.85Å; T196-G198 VanDerWaalsContact OG1-N 3.16Å; T196-V199 WeakPolarHBondContact O-CB 3.28Å; T196-V199 WeakPolarHBondContact O-CG2 3.35Å; T196-V199 PolarHBondContact O-N 2.94Å; T196-V199 VanDerWaalsContact O-N 3.16Å; T196-P289 WeakPolarHBondContact OG1-CB 3.48Å
197L92.8Very high87.6Confident50 Ų5023.3 Ų23.326%0.26212%0.119SC..THydrogen-bonded Turntrans-52.7-30.3168.8-55.8-179.8000112.6H129 V134 L162 V199 D200H129-L197 HydrophobicContact CB-CD1 4.14Å; H129-L197 HydrophobicContact CB-CD2 4.11Å; H129-L197 PolarHBondContact CE1-O 3.2Å; V134-L197 HydrophobicContact CG2-CD2 4.03Å; L162-L197 HydrophobicContact CD1-CD2 3.79Å; L162-L197 HydrophobicContact CD1-CG 4.05Å; L162-L197 HydrophobicContact CG-CD2 4.46Å; L197-V199 PolarHBondContact O-N 3.01Å; L197-V199 VanDerWaalsContact O-N 3.11Å; L197-D200 PolarHBondContact O-N 3.26Å
198G94.4Very high88.2Confident8 Ų823 Ų238%0.08212%0.118CC..Hα-helixtrans-60.5-19.8179.400000114.6T196 D200 M201 W202 R292T196-G198 PolarHBondContact O-N 3.44Å; T196-G198 VanDerWaalsContact O-N 3.15Å; T196-G198 PolarHBondContact OG1-N 2.85Å; T196-G198 VanDerWaalsContact OG1-N 3.16Å; G198-D200 VanDerWaalsContact C-N 3.34Å; G198-D200 PolarHBondContact O-N 2.93Å; G198-M201 PolarHBondContact O-N 3.23Å; G198-W202 PolarHBondContact O-N 2.69Å; G198-R292 VanDerWaalsContact C-NH1 3.27Å; G198-R292 WeakPolarHBondContact O-CD 3.44Å; G198-R292 PolarHBondContact O-NH1 2.58Å
199V93.7Very high88.8Confident4 Ų422.4 Ų22.42%0.02411%0.114CC..Hα-helixtrans-61.6-42176.3174.10000111.4V134 E187 V188 Y195 T196 L197 S203V134-V199 HydrophobicContact CG1-CB 4.15Å; E187-V199 HydrophobicContact CG-CG2 4.36Å; E187-V199 WeakPolarHBondContact OE1-CG2 3.02Å; V188-V199 HydrophobicContact CG2-CG1 3.89Å; V188-V199 HydrophobicContact CG2-CG2 3.94Å; Y195-V199 HydrophobicContact CD1-CG2 4.2Å; T196-V199 WeakPolarHBondContact O-CB 3.28Å; T196-V199 WeakPolarHBondContact O-CG2 3.35Å; T196-V199 PolarHBondContact O-N 2.94Å; T196-V199 VanDerWaalsContact O-N 3.16Å; L197-V199 PolarHBondContact O-N 3.01Å; L197-V199 VanDerWaalsContact O-N 3.11Å; V199-S203 PolarHBondContact O-N 3.37Å; V199-S203 PolarHBondContact O-OG 2.67Å
200D96.7Very high89.3Confident0 Ų022.1 Ų22.10%011%0.112CC..Hα-helixtrans-72.5-37.9175.8-67.6-25.6000110.7T125 H129 V134 H135 R136 L197 G198 W202 S203 L204T125-D200 HydrophobicContact CG2-CB 4.24Å; H129-D200 IonicContact CD2-OD2 2.7Å; H129-D200 IonicContact CE1-OD2 2.68Å; H129-D200 IonicContact NE2-OD2 2.82Å; H129-D200 PolarHBondContact NE2-OD2 3.28Å; V134-D200 WeakPolarHBondContact CA-OD2 3.36Å; V134-D200 WeakPolarHBondContact CG1-OD2 3.28Å; H135-D200 PolarHBondContact N-OD1 3.48Å; H135-D200 PolarHBondContact N-OD2 2.88Å; R136-D200 PolarHBondContact N-OD1 3.44Å; L197-D200 PolarHBondContact O-N 3.26Å; G198-D200 VanDerWaalsContact C-N 3.34Å; G198-D200 PolarHBondContact O-N 2.93Å; D200-W202 VanDerWaalsContact C-N 3.26Å; D200-W202 PolarHBondContact O-N 3Å; D200-S203 CarbonylContact O-C 3.59Å; D200-S203 WeakPolarHBondContact O-CA 3.26Å; D200-S203 VanDerWaalsContact O-CB 3.3Å; D200-S203 WeakPolarHBondContact O-CB 3.47Å; D200-S203 PolarHBondContact O-N 3.06Å; D200-L204 WeakPolarHBondContact O-CG 3.41Å; D200-L204 PolarHBondContact O-N 2.65Å
201M98.4Very high90Very high2 Ų221.7 Ų21.71%0.0111%0.11CC..Hα-helixtrans-62.6-33.3178.8-55.6-49.5-53.800112.6L122 T125 G198 L204 G205 L284 R292 L293 A295 A298L122-M201 HydrophobicContact CD2-CE 4Å; T125-M201 HydrophobicContact CG2-SD 3.98Å; G198-M201 PolarHBondContact O-N 3.23Å; M201-L204 HydrophobicContact CE-CD1 3.64Å; M201-L204 HydrophobicContact SD-CD1 3.87Å; M201-G205 PolarHBondContact O-N 3.13Å; M201-G205 VanDerWaalsContact O-N 3.1Å; M201-L284 HydrophobicContact CB-CD2 4.24Å; M201-L284 HydrophobicContact CE-CD2 3.62Å; M201-R292 HydrophobicContact CB-CB 4.42Å; M201-L293 WeakPolarHBondContact CE-O 3.44Å; M201-L293 WeakPolarHBondContact CG-O 3.39Å; M201-A295 HydrophobicContact CE-CB 4.16Å; M201-A295 HydrophobicContact SD-CB 3.9Å; M201-A295 PolarHBondContact SD-N 3.12Å; M201-A298 HydrophobicContact CE-CB 4.32Å
202W97.9Very high91.1Very high0 Ų020.2 Ų20.20%010%0.097CC..Hα-helixtrans-66.1-46.8168.8176.2-82000112.1R184 A185 P186 G198 D200 L204 G205 C206 F218 I230 I234 L285R184-W202 VanDerWaalsContact C-CD1 3.46Å; R184-W202 PolarHBondContact O-NE1 3.38Å; A185-W202 HydrophobicContact CB-CB 3.71Å; A185-W202 HydrophobicContact CB-CD2 4.36Å; A185-W202 HydrophobicContact CB-CG 3.67Å; P186-W202 HydrophobicContact CG-CE3 4.25Å; P186-W202 HydrophobicContact CG-CH2 4.1Å; P186-W202 HydrophobicContact CG-CZ2 4.39Å; P186-W202 HydrophobicContact CG-CZ3 4Å; G198-W202 PolarHBondContact O-N 2.69Å; D200-W202 VanDerWaalsContact C-N 3.26Å; D200-W202 PolarHBondContact O-N 3Å; W202-L204 VanDerWaalsContact C-N 3.25Å; W202-L204 PolarHBondContact O-N 3.08Å; W202-G205 WeakPolarHBondContact O-CA 3.49Å; W202-G205 PolarHBondContact O-N 3.06Å; W202-C206 PolarHBondContact O-N 3.41Å; W202-F218 HydrophobicContact CH2-CE2 4.25Å; W202-F218 HydrophobicContact CZ2-CD2 4.17Å; W202-F218 AromaticContact CZ2-CE2 3.74Å; W202-F218 HydrophobicContact CZ2-CE2 3.74Å; W202-I230 HydrophobicContact CH2-CD1 4.48Å; W202-I230 HydrophobicContact CH2-CG1 4.34Å; W202-I230 HydrophobicContact CH2-CG2 3.61Å; W202-I230 HydrophobicContact CZ2-CD1 3.72Å; W202-I230 HydrophobicContact CZ2-CG1 3.85Å; W202-I230 HydrophobicContact CZ2-CG2 3.96Å; W202-I234 HydrophobicContact CH2-CD1 4.04Å; W202-I234 HydrophobicContact CH2-CG2 4.01Å; W202-I234 HydrophobicContact CZ3-CD1 4.03Å; W202-I234 HydrophobicContact CZ3-CG2 4.42Å; W202-L285 HydrophobicContact CD2-CD2 3.9Å; W202-L285 HydrophobicContact CE3-CB 4.5Å; W202-L285 HydrophobicContact CE3-CD2 3.92Å; W202-L285 HydrophobicContact CH2-CB 4.33Å; W202-L285 HydrophobicContact CH2-CD2 3.99Å; W202-L285 HydrophobicContact CZ2-CD2 3.98Å; W202-L285 HydrophobicContact CZ3-CB 4.02Å; W202-L285 HydrophobicContact CZ3-CD2 3.98Å
203S97.9Very high92.3Very high4 Ų421.5 Ų21.53%0.02810%0.101CC..Hα-helixtrans-56.9-40.9176.9-52.40000111.6Y183 V199 D200 C206 I207Y183-S203 WeakPolarHBondContact O-CA 3.46Å; Y183-S203 PolarHBondContact O-OG 3.33Å; Y183-S203 VanDerWaalsContact O-OG 3.1Å; V199-S203 PolarHBondContact O-N 3.37Å; V199-S203 PolarHBondContact O-OG 2.67Å; D200-S203 CarbonylContact O-C 3.59Å; D200-S203 WeakPolarHBondContact O-CA 3.26Å; D200-S203 VanDerWaalsContact O-CB 3.3Å; D200-S203 WeakPolarHBondContact O-CB 3.47Å; D200-S203 PolarHBondContact O-N 3.06Å; S203-C206 WeakPolarHBondContact O-CB 3.11Å; S203-C206 PolarHBondContact O-N 2.71Å; S203-I207 VanDerWaalsContact O-CG1 3.28Å; S203-I207 WeakPolarHBondContact O-CG1 3.24Å; S203-I207 PolarHBondContact O-N 2.98Å
204L98.6Very high93.8Very high0 Ų017.5 Ų17.50%09%0.094CC..Hα-helixtrans-60.5-43172-71.2179.4000112.4F118 L121 L122 T125 D200 M201 W202 C206 I207 L208F118-L204 HydrophobicContact CE2-CB 3.95Å; F118-L204 HydrophobicContact CE2-CD2 4.18Å; F118-L204 WeakPolarHBondContact CE2-O 3.36Å; F118-L204 HydrophobicContact CZ-CB 3.91Å; L121-L204 HydrophobicContact CD1-CD2 4.48Å; L121-L204 HydrophobicContact CD2-CD2 3.44Å; L121-L204 VanDerWaalsContact CD2-CD2 3.44Å; L121-L204 HydrophobicContact CG-CD2 3.51Å; L122-L204 HydrophobicContact CD2-CD1 3.81Å; T125-L204 HydrophobicContact CG2-CD1 3.98Å; D200-L204 WeakPolarHBondContact O-CG 3.41Å; D200-L204 PolarHBondContact O-N 2.65Å; M201-L204 HydrophobicContact CE-CD1 3.64Å; M201-L204 HydrophobicContact SD-CD1 3.87Å; W202-L204 VanDerWaalsContact C-N 3.25Å; W202-L204 PolarHBondContact O-N 3.08Å; L204-C206 VanDerWaalsContact C-N 3.34Å; L204-C206 PolarHBondContact O-N 2.98Å; L204-I207 PolarHBondContact O-N 2.99Å; L204-L208 PolarHBondContact O-N 3.22Å
205G98.5Very high95.2Very high0 Ų019.2 Ų19.20%010%0.1CC..Hα-helixtrans-56.4-46.3170.800000112.1M201 W202 I207 L208 G209 L281M201-G205 PolarHBondContact O-N 3.13Å; M201-G205 VanDerWaalsContact O-N 3.1Å; W202-G205 WeakPolarHBondContact O-CA 3.49Å; W202-G205 PolarHBondContact O-N 3.06Å; G205-I207 VanDerWaalsContact C-N 3.34Å; G205-I207 PolarHBondContact O-N 3.1Å; G205-L208 PolarHBondContact O-N 3.07Å; G205-G209 PolarHBondContact O-N 2.86Å; G205-L281 WeakPolarHBondContact O-CD1 3.47Å
206C98.5Very high96.3Very high2 Ų219.5 Ų19.51%0.01410%0.104CC..Hα-helixtrans-59.7-42.1174.5-72.90000112.9W182 Y183 W202 S203 L204 E210W182-C206 PolarHBondContact O-SG 3.35Å; Y183-C206 HydrophobicContact CD1-CB 3.7Å; W202-C206 PolarHBondContact O-N 3.41Å; S203-C206 WeakPolarHBondContact O-CB 3.11Å; S203-C206 PolarHBondContact O-N 2.71Å; L204-C206 VanDerWaalsContact C-N 3.34Å; L204-C206 PolarHBondContact O-N 2.98Å; C206-E210 VanDerWaalsContact O-CB 3.28Å; C206-E210 WeakPolarHBondContact O-CB 3.38Å; C206-E210 PolarHBondContact O-N 3.4Å
207I98.5Very high96.7Very high0 Ų018 Ų180%010%0.095CC..Hα-helixtrans-66-44.3178.6-66.1160.8000111.5L99 L121 Q138 P140 V143 Y183 S203 L204 G205 E210 M211L99-I207 HydrophobicContact CD2-CG2 3.9Å; L121-I207 HydrophobicContact CD2-CD1 4.09Å; L121-I207 HydrophobicContact CD2-CG2 4.07Å; Q138-I207 HydrophobicContact CB-CD1 4.12Å; P140-I207 HydrophobicContact CG-CB 4.5Å; P140-I207 HydrophobicContact CG-CG1 4.01Å; P140-I207 HydrophobicContact CG-CG2 4.34Å; V143-I207 HydrophobicContact CG2-CD1 4.47Å; Y183-I207 HydrophobicContact CD1-CG1 4.43Å; S203-I207 VanDerWaalsContact O-CG1 3.28Å; S203-I207 WeakPolarHBondContact O-CG1 3.24Å; S203-I207 PolarHBondContact O-N 2.98Å; L204-I207 PolarHBondContact O-N 2.99Å; G205-I207 VanDerWaalsContact C-N 3.34Å; G205-I207 PolarHBondContact O-N 3.1Å; I207-E210 PolarHBondContact O-N 3.47Å; I207-M211 HydrophobicContact CG2-CE 4.22Å; I207-M211 WeakPolarHBondContact O-CG 3.33Å; I207-M211 PolarHBondContact O-N 3.41Å
208L98.6Very high96.8Very high0 Ų015.7 Ų15.70%08%0.083CC..Hα-helixtrans-62.4-49.3178.5177.959.4000111.5V114 F118 L204 G205 E210 M211 L212 L280 L281 L284 Y303V114-L208 HydrophobicContact CG1-CD1 3.86Å; F118-L208 HydrophobicContact CD1-CD1 4.44Å; F118-L208 HydrophobicContact CD1-CD2 4.35Å; F118-L208 HydrophobicContact CD2-CB 4.01Å; F118-L208 HydrophobicContact CD2-CD1 4.28Å; F118-L208 HydrophobicContact CE1-CD2 4.06Å; F118-L208 HydrophobicContact CE2-CB 3.71Å; F118-L208 HydrophobicContact CG-CD1 4.15Å; F118-L208 HydrophobicContact CZ-CB 4.04Å; F118-L208 HydrophobicContact CZ-CD2 4.18Å; L204-L208 PolarHBondContact O-N 3.22Å; G205-L208 PolarHBondContact O-N 3.07Å; L208-E210 VanDerWaalsContact C-N 3.29Å; L208-E210 PolarHBondContact O-N 3.19Å; L208-M211 HydrophobicContact CD1-CE 4.26Å; L208-M211 PolarHBondContact O-N 3.19Å; L208-L212 HydrophobicContact CD1-CD1 4.16Å; L208-L212 HydrophobicContact CD1-CG 4.32Å; L208-L212 HydrophobicContact CG-CD1 4.07Å; L208-L212 WeakPolarHBondContact O-CG 3.11Å; L208-L212 PolarHBondContact O-N 3.47Å; L208-L280 HydrophobicContact CD2-CB 4.37Å; L208-L280 HydrophobicContact CD2-CD2 4.03Å; L208-L280 HydrophobicContact CD2-CG 4Å; L208-L281 HydrophobicContact CB-CD1 3.9Å; L208-L281 HydrophobicContact CD2-CB 4.38Å; L208-L281 HydrophobicContact CD2-CD1 4.04Å; L208-L281 HydrophobicContact CG-CD1 3.98Å; L208-L284 HydrophobicContact CD2-CD1 4.41Å; L208-Y303 HydrophobicContact CD1-CE1 3.88Å
209G97.8Very high96.8Very high0 Ų018 Ų180%010%0.096CC..Hα-helixtrans-64.1-33.6178.400000113.2G205 R213G205-G209 PolarHBondContact O-N 2.86Å; G209-R213 WeakPolarHBondContact O-CD 3.45Å; G209-R213 VanDerWaalsContact O-CG 3.24Å; G209-R213 WeakPolarHBondContact O-CG 3.48Å; G209-R213 PolarHBondContact O-N 3.15Å; G209-R213 VanDerWaalsContact O-N 3.08Å
210E97.7Very high96.8Very high4 Ų417.9 Ų17.92%0.01910%0.095CC..Hα-helixtrans-70.5-39174.2178.9162.7170.400112.8I103 P140 Y183 C206 I207 L208 G214 R215 P216I103-E210 HydrophobicContact CD1-CG 4.02Å; I103-E210 HydrophobicContact CG2-CG 4.12Å; P140-E210 HydrophobicContact CG-CG 4.49Å; Y183-E210 VanDerWaalsContact CE1-OE2 3.3Å; Y183-E210 WeakPolarHBondContact CE1-OE2 3.36Å; Y183-E210 PolarHBondContact OH-OE2 2.95Å; Y183-E210 VanDerWaalsContact OH-OE2 3.06Å; C206-E210 VanDerWaalsContact O-CB 3.28Å; C206-E210 WeakPolarHBondContact O-CB 3.38Å; C206-E210 PolarHBondContact O-N 3.4Å; I207-E210 PolarHBondContact O-N 3.47Å; L208-E210 VanDerWaalsContact C-N 3.29Å; L208-E210 PolarHBondContact O-N 3.19Å; E210-G214 WeakPolarHBondContact O-CA 3.45Å; E210-G214 PolarHBondContact O-N 3.27Å; E210-R215 PolarHBondContact O-N 3.3Å; E210-P216 WeakPolarHBondContact OE2-CA 3.34Å; E210-P216 WeakPolarHBondContact OE2-CB 3.39Å; E210-P216 WeakPolarHBondContact OE2-CG 3.27Å
211M97.6Very high96.5Very high8 Ų823 Ų234%0.03913%0.127CC..Hα-helixtrans-60.7-46171.2-77.7-167.9-66.500111.9L99 I103 L109 V114 I117 F118 I207 L208L99-M211 HydrophobicContact CD1-CG 4.11Å; L99-M211 HydrophobicContact CD1-SD 3.94Å; L99-M211 HydrophobicContact CD2-CG 4.03Å; L99-M211 HydrophobicContact CD2-SD 3.77Å; L99-M211 HydrophobicContact CG-CG 4.43Å; L99-M211 HydrophobicContact CG-SD 4.44Å; I103-M211 HydrophobicContact CD1-CB 4.41Å; I103-M211 HydrophobicContact CD1-CG 3.68Å; I103-M211 HydrophobicContact CG1-CG 4.32Å; L109-M211 HydrophobicContact CD1-CB 4.18Å; L109-M211 HydrophobicContact CD1-CG 3.99Å; L109-M211 HydrophobicContact CD1-SD 4.45Å; V114-M211 HydrophobicContact CG1-CB 3.92Å; V114-M211 HydrophobicContact CG1-CE 3.96Å; V114-M211 HydrophobicContact CG1-SD 4.26Å; V114-M211 HydrophobicContact CG2-CB 4.26Å; I117-M211 HydrophobicContact CB-SD 4.24Å; I117-M211 HydrophobicContact CG2-CE 4.41Å; I117-M211 HydrophobicContact CG2-SD 3.76Å; F118-M211 HydrophobicContact CB-CE 4.01Å; F118-M211 HydrophobicContact CD2-CE 3.84Å; F118-M211 HydrophobicContact CG-CE 4.34Å; I207-M211 HydrophobicContact CG2-CE 4.22Å; I207-M211 WeakPolarHBondContact O-CG 3.33Å; I207-M211 PolarHBondContact O-N 3.41Å; L208-M211 HydrophobicContact CD1-CE 4.26Å; L208-M211 PolarHBondContact O-N 3.19Å
212L96.5Very high96Very high29 Ų2925.2 Ų25.215%0.15214%0.142CC..Hα-helixtrans-63.6-45.6-179-70.4167.5000112V114 L208 L269 P270 T273 A277V114-L212 HydrophobicContact CG1-CD2 4.15Å; V114-L212 HydrophobicContact CG1-CG 4.41Å; L208-L212 HydrophobicContact CD1-CD1 4.16Å; L208-L212 HydrophobicContact CD1-CG 4.32Å; L208-L212 HydrophobicContact CG-CD1 4.07Å; L208-L212 WeakPolarHBondContact O-CG 3.11Å; L208-L212 PolarHBondContact O-N 3.47Å; L212-L269 HydrophobicContact CB-CD2 4.17Å; L212-L269 HydrophobicContact CD1-CD2 4.48Å; L212-P270 WeakPolarHBondContact O-CG 3.14Å; L212-T273 HydrophobicContact CD1-CG2 4.16Å; L212-T273 HydrophobicContact CD2-CG2 4.41Å; L212-A277 HydrophobicContact CD1-CB 4.15Å; L212-A277 HydrophobicContact CD2-CB 4.37Å
213R94.9Very high95.4Very high36 Ų3627.6 Ų27.614%0.13616%0.157CC..Hα-helixtrans-97.8-0.5-173.384.7-164.7-136.5143-7.5115.6G209 R215 P216 L217 L268 L269G209-R213 WeakPolarHBondContact O-CD 3.45Å; G209-R213 VanDerWaalsContact O-CG 3.24Å; G209-R213 WeakPolarHBondContact O-CG 3.48Å; G209-R213 PolarHBondContact O-N 3.15Å; G209-R213 VanDerWaalsContact O-N 3.08Å; R213-R215 VanDerWaalsContact C-N 3.26Å; R213-R215 VanDerWaalsContact CD-O 3.31Å; R213-R215 WeakPolarHBondContact CD-O 3.34Å; R213-R215 HydrophobicContact CG-CG 3.87Å; R213-R215 WeakPolarHBondContact CG-O 3.49Å; R213-R215 PolarHBondContact NE-O 3.14Å; R213-R215 PolarHBondContact O-N 2.87Å; R213-P216 PolarHBondContact NE-O 3.32Å; R213-P216 PolarHBondContact NH2-O 2.89Å; R213-L217 PolarHBondContact NH2-O 2.91Å; R213-L268 WeakPolarHBondContact CD-O 3.36Å; R213-L268 PolarHBondContact NH1-O 3.01Å; R213-L269 HydrophobicContact CB-CD2 4.27Å
214G95.1Very high94.8Very high41 Ų4131.6 Ų31.642%0.42318%0.178SC..SBendtrans70.78.4179.600000116.3E210E210-G214 WeakPolarHBondContact O-CA 3.45Å; E210-G214 PolarHBondContact O-N 3.27Å
215R94.9Very high94.3Very high155 Ų15534.2 Ų34.259%0.58519%0.19SC*.SBendtrans-158.9151.8-177.758.5177.9176.3140.33.4111.5E210 R213 L217E210-R215 PolarHBondContact O-N 3.3Å; R213-R215 VanDerWaalsContact C-N 3.26Å; R213-R215 VanDerWaalsContact CD-O 3.31Å; R213-R215 WeakPolarHBondContact CD-O 3.34Å; R213-R215 HydrophobicContact CG-CG 3.87Å; R213-R215 WeakPolarHBondContact CG-O 3.49Å; R213-R215 PolarHBondContact NE-O 3.14Å; R213-R215 PolarHBondContact O-N 2.87Å; R215-L217 PolarHBondContact O-N 2.73Å
216P96.4Very high94Very high27 Ų2734.2 Ų34.218%0.17519%0.19CC..  trans-51.4138.1-176.7-26.530.2000114.4W182 E210 R213 P219W182-P216 HydrophobicContact CE3-CB 3.9Å; W182-P216 HydrophobicContact CE3-CG 3.65Å; W182-P216 HydrophobicContact CZ3-CB 4.33Å; W182-P216 HydrophobicContact CZ3-CG 3.62Å; E210-P216 WeakPolarHBondContact OE2-CA 3.34Å; E210-P216 WeakPolarHBondContact OE2-CB 3.39Å; E210-P216 WeakPolarHBondContact OE2-CG 3.27Å; R213-P216 PolarHBondContact NE-O 3.32Å; R213-P216 PolarHBondContact NH2-O 2.89Å; P216-P219 HydrophobicContact CB-CB 4.43Å
217L95.1Very high93.6Very high8 Ų834.2 Ų34.24%0.04219%0.19CC..SBendtrans-61-54.7175.5-84.7-177.3000111.3R213 R215 P219 L265 L269 L285R213-L217 PolarHBondContact NH2-O 2.91Å; R215-L217 PolarHBondContact O-N 2.73Å; L217-P219 VanDerWaalsContact O-CD 3.29Å; L217-P219 WeakPolarHBondContact O-CD 3.2Å; L217-L265 HydrophobicContact CD2-CD1 4.33Å; L217-L269 HydrophobicContact CD2-CD2 4.46Å; L217-L285 HydrophobicContact CD1-CD1 3.56Å
218F95.6Very high93.1Very high2 Ų236 Ų361%0.00920%0.198CC..  trans-122.976.9-169.9-50.4-56.7000111.5W182 W202 G220 Q226 L229 I230 T233 L285W182-F218 WeakPolarHBondContact CA-O 3.48Å; W182-F218 WeakPolarHBondContact CB-O 3.31Å; W202-F218 HydrophobicContact CH2-CE2 4.25Å; W202-F218 HydrophobicContact CZ2-CD2 4.17Å; W202-F218 AromaticContact CZ2-CE2 3.74Å; W202-F218 HydrophobicContact CZ2-CE2 3.74Å; F218-G220 PolarHBondContact O-N 3.05Å; F218-Q226 PolarHBondContact O-NE2 2.91Å; F218-Q226 PolarHBondContact O-OE1 3.35Å; F218-L229 HydrophobicContact CB-CB 4.47Å; F218-L229 HydrophobicContact CD1-CB 4.26Å; F218-I230 HydrophobicContact CB-CG1 4.31Å; F218-I230 HydrophobicContact CD1-CG1 4.15Å; F218-I230 HydrophobicContact CD2-CG1 3.86Å; F218-I230 HydrophobicContact CE1-CG1 4.47Å; F218-I230 HydrophobicContact CE2-CG1 4.19Å; F218-I230 HydrophobicContact CG-CG1 3.84Å; F218-I230 HydrophobicContact CZ-CG1 4.49Å; F218-T233 HydrophobicContact CE1-CG2 3.89Å; F218-T233 HydrophobicContact CZ-CG2 4.21Å; F218-L285 HydrophobicContact CE2-CD1 4.2Å; F218-L285 HydrophobicContact CE2-CD2 4.32Å; F218-L285 HydrophobicContact CZ-CD1 4.23Å
219P95.1Very high92.8Very high57 Ų5737.7 Ų37.737%0.3721%0.207SC..  trans-79.453.8-175.333.5-37.7000113.9W182 P216 L217 T221W182-P219 HydrophobicContact CD2-CB 4.5Å; W182-P219 HydrophobicContact CZ2-CB 4.37Å; W182-P219 VanDerWaalsContact NE1-C 3.33Å; P216-P219 HydrophobicContact CB-CB 4.43Å; L217-P219 VanDerWaalsContact O-CD 3.29Å; L217-P219 WeakPolarHBondContact O-CD 3.2Å; P219-T221 PolarHBondContact O-N 2.9Å
220G92.4Very high92.6Very high0 Ų037.7 Ų37.70%021%0.207CC..  trans-65.2128.6-173.700000115R181 W182 F218R181-G220 WeakPolarHBondContact CD-O 3.26Å; R181-G220 PolarHBondContact NH1-O 3.42Å; W182-G220 PolarHBondContact NE1-O 3.47Å; F218-G220 PolarHBondContact O-N 3.05Å
221T90.1Very high92.2Very high107 Ų10737.8 Ų37.866%0.65621%0.208SC*.SBendtrans-77.6-26179.957.40000113.6R181 P219 H225R181-T221 PolarHBondContact NH1-O 3.06Å; P219-T221 PolarHBondContact O-N 2.9Å; T221-H225 PolarHBondContact N-ND1 3.21Å; T221-H225 PolarHBondContact OG1-ND1 3.07Å
222S87.7Confident91.9Very high49 Ų4939.3 Ų39.334%0.34321%0.214SC..SBendtrans-135.3168174.170.80000110.3R181 L224 H225 Q226R181-S222 VanDerWaalsContact CD-C 3.49Å; R181-S222 VanDerWaalsContact CD-O 3.31Å; R181-S222 WeakPolarHBondContact CD-O 3.39Å; S222-L224 PolarHBondContact O-N 2.83Å; S222-H225 PolarHBondContact O-N 3.06Å; S222-H225 WeakPolarHBondContact OG-CB 3.29Å; S222-H225 PolarHBondContact OG-N 2.7Å; S222-H225 VanDerWaalsContact OG-N 3.1Å; S222-Q226 VanDerWaalsContact O-CB 3.26Å; S222-Q226 WeakPolarHBondContact O-CB 3.34Å; S222-Q226 PolarHBondContact O-N 3.44Å
223T85.8Confident91.6Very high50 Ų5038.6 Ų38.631%0.30721%0.211SC..Hα-helixtrans-60.5-35.8174.4-51.30000111.7L189 L227L189-T223 HydrophobicContact CB-CG2 4.34Å; L189-T223 HydrophobicContact CD2-CG2 4.01Å; L189-T223 WeakPolarHBondContact O-CG2 3.37Å; T223-L227 PolarHBondContact O-N 2.91Å
224L85.8Confident91.4Very high89 Ų8937 Ų3747%0.46621%0.205SC..Hα-helixtrans-63.5-55.9175.2-179.366.9000111.2S222 Q226 L227 E228 R256S222-L224 PolarHBondContact O-N 2.83Å; L224-Q226 VanDerWaalsContact C-N 3.31Å; L224-Q226 PolarHBondContact O-N 2.92Å; L224-L227 PolarHBondContact O-N 2.85Å; L224-L227 VanDerWaalsContact O-N 3.1Å; L224-E228 WeakPolarHBondContact O-CG 3.42Å; L224-E228 PolarHBondContact O-N 3.39Å; L224-R256 HydrophobicContact CD1-CG 4.32Å
225H88.5Confident91Very high55 Ų5539.7 Ų39.726%0.25522%0.215SC..Hα-helixtrans-64.1-34.5-179.7177.9-157.4000112.3T221 S222 L227 E228 L229T221-H225 PolarHBondContact N-ND1 3.21Å; T221-H225 PolarHBondContact OG1-ND1 3.07Å; S222-H225 PolarHBondContact O-N 3.06Å; S222-H225 WeakPolarHBondContact OG-CB 3.29Å; S222-H225 PolarHBondContact OG-N 2.7Å; S222-H225 VanDerWaalsContact OG-N 3.1Å; H225-L227 VanDerWaalsContact C-N 3.29Å; H225-L227 PolarHBondContact O-N 3.33Å; H225-E228 PolarHBondContact O-N 3.31Å; H225-L229 WeakPolarHBondContact O-CG 3.42Å; H225-L229 PolarHBondContact O-N 3.01Å
226Q91.8Very high90.5Very high0 Ų036 Ų360%021%0.212CC..Hα-helixtrans-56.9-44.3172.4-176.46637.600111.7R181 W182 L189 F218 S222 L224 I230R181-Q226 HydrophobicContact CB-CG 4.47Å; R181-Q226 HydrophobicContact CG-CB 4.23Å; R181-Q226 HydrophobicContact CG-CG 4.14Å; W182-Q226 PolarHBondContact O-NE2 2.91Å; L189-Q226 HydrophobicContact CD1-CB 4.36Å; L189-Q226 HydrophobicContact CD1-CG 3.49Å; L189-Q226 VanDerWaalsContact CD1-CG 3.49Å; L189-Q226 HydrophobicContact CD2-CB 4.35Å; L189-Q226 HydrophobicContact CD2-CG 3.84Å; L189-Q226 HydrophobicContact CG-CG 4.34Å; F218-Q226 PolarHBondContact O-NE2 2.91Å; F218-Q226 PolarHBondContact O-OE1 3.35Å; S222-Q226 VanDerWaalsContact O-CB 3.26Å; S222-Q226 WeakPolarHBondContact O-CB 3.34Å; S222-Q226 PolarHBondContact O-N 3.44Å; L224-Q226 VanDerWaalsContact C-N 3.31Å; L224-Q226 PolarHBondContact O-N 2.92Å; Q226-I230 HydrophobicContact CG-CD1 4.29Å; Q226-I230 WeakPolarHBondContact O-CD1 3.21Å; Q226-I230 VanDerWaalsContact O-CG1 3.28Å; Q226-I230 WeakPolarHBondContact O-CG1 3.48Å; Q226-I230 PolarHBondContact O-N 3.47Å
227L89.4Confident90Very high2 Ų235.3 Ų35.31%0.0121%0.207CC..Hα-helixtrans-81.7-24.3-177.8-172.252000112.8P186 L190 T223 L224 H225 I230 L231 R256P186-L227 HydrophobicContact CB-CD1 4.32Å; L190-L227 HydrophobicContact CD1-CD2 4.35Å; L190-L227 HydrophobicContact CD2-CD2 3.6Å; L190-L227 HydrophobicContact CG-CD2 3.79Å; T223-L227 PolarHBondContact O-N 2.91Å; L224-L227 PolarHBondContact O-N 2.85Å; L224-L227 VanDerWaalsContact O-N 3.1Å; H225-L227 VanDerWaalsContact C-N 3.29Å; H225-L227 PolarHBondContact O-N 3.33Å; L227-I230 HydrophobicContact CD1-CB 4.39Å; L227-I230 HydrophobicContact CD1-CG2 4.39Å; L227-L231 HydrophobicContact CD1-CD1 4Å; L227-L231 HydrophobicContact CD1-CG 3.97Å; L227-L231 HydrophobicContact CG-CD1 3.9Å; L227-L231 HydrophobicContact CG-CG 4.34Å; L227-L231 WeakPolarHBondContact O-CB 3.44Å; L227-L231 VanDerWaalsContact O-CG 3.23Å; L227-L231 WeakPolarHBondContact O-CG 3.37Å; L227-L231 PolarHBondContact O-N 3.19Å; L227-R256 VanDerWaalsContact CD2-NH2 3.26Å
228E89.3Confident89.6Confident37 Ų3736.9 Ų36.917%0.17322%0.219CC..Hα-helixtrans-59.7-57.7165-71.3170.1-171.800110.7L224 H225 I230 L231 E232 R256 R260L224-E228 WeakPolarHBondContact O-CG 3.42Å; L224-E228 PolarHBondContact O-N 3.39Å; H225-E228 PolarHBondContact O-N 3.31Å; E228-I230 PolarHBondContact O-N 3.44Å; E228-I230 VanDerWaalsContact O-N 3.13Å; E228-L231 CarbonylContact O-C 3.59Å; E228-L231 PolarHBondContact O-N 3.45Å; E228-E232 WeakPolarHBondContact O-CB 3.23Å; E228-E232 VanDerWaalsContact O-CG 3.27Å; E228-E232 WeakPolarHBondContact O-CG 3.4Å; E228-E232 PolarHBondContact O-N 3.38Å; E228-R256 HydrophobicContact CG-CG 4.3Å; E228-R260 IonicContact OE1-NH2 3.43Å; E228-R260 IonicContact OE2-CZ 2.67Å; E228-R260 IonicContact OE2-NH1 2.67Å; E228-R260 PolarHBondContact OE2-NH1 2.72Å; E228-R260 IonicContact OE2-NH2 2.89Å; E228-R260 PolarHBondContact OE2-NH2 3.35Å
229L91.9Very high89Confident35 Ų3545.4 Ų45.418%0.18326%0.256CS..Hα-helixtrans-54.1-37179.6-68.4169.8000113F218 H225 T233F218-L229 HydrophobicContact CB-CB 4.47Å; F218-L229 HydrophobicContact CD1-CB 4.26Å; H225-L229 WeakPolarHBondContact O-CG 3.42Å; H225-L229 PolarHBondContact O-N 3.01Å; L229-T233 WeakPolarHBondContact O-CB 3.06Å; L229-T233 PolarHBondContact O-OG1 3.46Å
230I92.9Very high88.6Confident0 Ų049.3 Ų49.30%027%0.269CS..Hα-helixtrans-67.5-53.5175.8-71168.1000110.9P186 L189 W202 F218 Q226 L227 E228 E232 T233 I234P186-I230 HydrophobicContact CG-CG2 4.21Å; L189-I230 HydrophobicContact CD1-CD1 3.58Å; W202-I230 HydrophobicContact CH2-CD1 4.48Å; W202-I230 HydrophobicContact CH2-CG1 4.34Å; W202-I230 HydrophobicContact CH2-CG2 3.61Å; W202-I230 HydrophobicContact CZ2-CD1 3.72Å; W202-I230 HydrophobicContact CZ2-CG1 3.85Å; W202-I230 HydrophobicContact CZ2-CG2 3.96Å; F218-I230 HydrophobicContact CB-CG1 4.31Å; F218-I230 HydrophobicContact CD1-CG1 4.15Å; F218-I230 HydrophobicContact CD2-CG1 3.86Å; F218-I230 HydrophobicContact CE1-CG1 4.47Å; F218-I230 HydrophobicContact CE2-CG1 4.19Å; F218-I230 HydrophobicContact CG-CG1 3.84Å; F218-I230 HydrophobicContact CZ-CG1 4.49Å; Q226-I230 HydrophobicContact CG-CD1 4.29Å; Q226-I230 WeakPolarHBondContact O-CD1 3.21Å; Q226-I230 VanDerWaalsContact O-CG1 3.28Å; Q226-I230 WeakPolarHBondContact O-CG1 3.48Å; Q226-I230 PolarHBondContact O-N 3.47Å; L227-I230 HydrophobicContact CD1-CB 4.39Å; L227-I230 HydrophobicContact CD1-CG2 4.39Å; E228-I230 PolarHBondContact O-N 3.44Å; E228-I230 VanDerWaalsContact O-N 3.13Å; I230-E232 PolarHBondContact O-N 3.36Å; I230-T233 PolarHBondContact O-N 2.97Å; I230-I234 HydrophobicContact CG2-CD1 3.78Å; I230-I234 HydrophobicContact CG2-CG1 4.15Å; I230-I234 WeakPolarHBondContact O-CG1 3.45Å; I230-I234 PolarHBondContact O-N 3.37Å
231L90.4Very high88.1Confident7 Ų750.3 Ų50.34%0.03728%0.275CS..Hα-helixtrans-72.2-15.9-176.8-66.4171.4000113.5L227 E228 T233 V253 R256 L257 R262 F287L227-L231 HydrophobicContact CD1-CD1 4Å; L227-L231 HydrophobicContact CD1-CG 3.97Å; L227-L231 HydrophobicContact CG-CD1 3.9Å; L227-L231 HydrophobicContact CG-CG 4.34Å; L227-L231 WeakPolarHBondContact O-CB 3.44Å; L227-L231 VanDerWaalsContact O-CG 3.23Å; L227-L231 WeakPolarHBondContact O-CG 3.37Å; L227-L231 PolarHBondContact O-N 3.19Å; E228-L231 CarbonylContact O-C 3.59Å; E228-L231 PolarHBondContact O-N 3.45Å; L231-T233 VanDerWaalsContact C-N 3.33Å; L231-V253 HydrophobicContact CD1-CG1 4.06Å; L231-V253 HydrophobicContact CD2-CG1 4.36Å; L231-R256 HydrophobicContact CD1-CB 3.88Å; L231-L257 HydrophobicContact CB-CD2 4.23Å; L231-L257 HydrophobicContact CD2-CD2 4.18Å; L231-R262 PolarHBondContact O-NE 3.43Å; L231-R262 PolarHBondContact O-NH2 2.92Å; L231-F287 HydrophobicContact CD2-CD2 3.96Å; L231-F287 HydrophobicContact CD2-CE2 3.99Å
232E90Very high87.8Confident39 Ų3945.9 Ų45.918%0.18225%0.247CC..Hα-helixtrans-74.4-22.7166.5-73.9164.2-16300112.5E228 I230 R260 R262 Q263E228-E232 WeakPolarHBondContact O-CB 3.23Å; E228-E232 VanDerWaalsContact O-CG 3.27Å; E228-E232 WeakPolarHBondContact O-CG 3.4Å; E228-E232 PolarHBondContact O-N 3.38Å; I230-E232 PolarHBondContact O-N 3.36Å; E232-R260 HydrophobicContact CG-CB 4.44Å; E232-R260 WeakPolarHBondContact OE1-CD 3.33Å; E232-R260 IonicContact OE1-CZ 3.5Å; E232-R260 IonicContact OE1-NE 3.34Å; E232-R260 IonicContact OE1-NH1 3.58Å; E232-R260 PolarHBondContact OE1-NH1 3.26Å; E232-R262 CarbonylContact O-C 3.59Å; E232-R262 VanDerWaalsContact O-CA 3.31Å; E232-R262 WeakPolarHBondContact O-CA 3.48Å; E232-R262 WeakPolarHBondContact O-CB 3.43Å; E232-Q263 PolarHBondContact O-N 3.31Å
233T90.5Very high87.4Confident14 Ų1449.2 Ų49.29%0.08626%0.26CS..Hα-helixtrans-106.7-53.9-169.3-56.30000114.4F218 L229 I230 L231 Q263 L265 L268F218-T233 HydrophobicContact CE1-CG2 3.89Å; F218-T233 HydrophobicContact CZ-CG2 4.21Å; L229-T233 WeakPolarHBondContact O-CB 3.06Å; L229-T233 PolarHBondContact O-OG1 3.46Å; I230-T233 PolarHBondContact O-N 2.97Å; L231-T233 VanDerWaalsContact C-N 3.33Å; T233-Q263 WeakPolarHBondContact CA-O 3.1Å; T233-L265 HydrophobicContact CG2-CB 4.19Å; T233-L265 HydrophobicContact CG2-CD1 3.86Å; T233-L268 HydrophobicContact CG2-CD1 3.48Å; T233-L268 VanDerWaalsContact CG2-CD1 3.48Å
234I90.8Very high87Confident2 Ų248.9 Ų48.91%0.0126%0.262CS..SBendtrans-78.4164.3-17369.8173.3000111.1W202 I230 R262 L285 F287W202-I234 HydrophobicContact CH2-CD1 4.04Å; W202-I234 HydrophobicContact CH2-CG2 4.01Å; W202-I234 HydrophobicContact CZ3-CD1 4.03Å; W202-I234 HydrophobicContact CZ3-CG2 4.42Å; I230-I234 HydrophobicContact CG2-CD1 3.78Å; I230-I234 HydrophobicContact CG2-CG1 4.15Å; I230-I234 WeakPolarHBondContact O-CG1 3.45Å; I230-I234 PolarHBondContact O-N 3.37Å; I234-R262 PolarHBondContact O-NH1 3.04Å; I234-R262 VanDerWaalsContact O-NH1 3.15Å; I234-R262 PolarHBondContact O-NH2 3.48Å; I234-L285 HydrophobicContact CG2-CB 4.14Å; I234-L285 WeakPolarHBondContact CG2-O 3.44Å; I234-F287 HydrophobicContact CD1-CB 3.77Å; I234-F287 HydrophobicContact CD1-CD2 4.22Å
235P87.1Confident86.4Confident98 Ų9845.3 Ų45.364%0.63624%0.244SC*.PPolyproline II helixtrans-55139.2169.3-25.535.9000111.3
236P83.8Confident85.5Confident78 Ų7844.4 Ų44.451%0.50625%0.25SC..PPolyproline II helixtrans-66.5142.6-178.429.5-34.6000110.3L257P236-L257 HydrophobicContact CB-CD2 4.08Å
237P86.8Confident84.1Confident13 Ų1349 Ų498%0.08428%0.281CS..PPolyproline II helixtrans-61.9142.2177.425.4-33.7000111.5D241 L242 V253 L257 F287P237-D241 HydrophobicContact CB-CB 3.76Å; P237-L242 HydrophobicContact CB-CD2 4.25Å; P237-L242 HydrophobicContact CB-CG 4.17Å; P237-L242 HydrophobicContact CG-CD2 3.82Å; P237-L242 HydrophobicContact CG-CG 4.08Å; P237-V253 HydrophobicContact CG-CG1 4.15Å; P237-L257 HydrophobicContact CG-CD1 4.18Å; P237-F287 HydrophobicContact CB-CB 4.29Å; P237-F287 HydrophobicContact CB-CD1 3.64Å; P237-F287 HydrophobicContact CB-CD2 4.38Å; P237-F287 HydrophobicContact CB-CE1 4.06Å; P237-F287 HydrophobicContact CB-CG 3.83Å; P237-F287 HydrophobicContact CG-CD1 4.26Å; P237-F287 HydrophobicContact CG-CD2 4.23Å; P237-F287 HydrophobicContact CG-CE1 4.41Å; P237-F287 HydrophobicContact CG-CE2 4.37Å; P237-F287 HydrophobicContact CG-CG 4.18Å; P237-F287 HydrophobicContact CG-CZ 4.48Å
238S86.4Confident83.1Confident41 Ų4151.4 Ų51.429%0.28731%0.307SS..PPolyproline II helixtrans-67.4168.9175.3980000111.5E240 D241 L242S238-E240 PolarHBondContact O-N 2.91Å; S238-E240 WeakPolarHBondContact OG-CB 3.43Å; S238-E240 PolarHBondContact OG-N 3.31Å; S238-D241 VanDerWaalsContact CB-OD2 3.26Å; S238-D241 WeakPolarHBondContact CB-OD2 3.39Å; S238-D241 PolarHBondContact N-OD2 3.26Å; S238-D241 PolarHBondContact O-N 3.44Å; S238-D241 PolarHBondContact OG-N 3.04Å; S238-D241 VanDerWaalsContact OG-N 3.16Å; S238-D241 PolarHBondContact OG-OD2 3.34Å; S238-L242 WeakPolarHBondContact O-CB 3.39Å; S238-L242 WeakPolarHBondContact O-CG 3.48Å; S238-L242 PolarHBondContact O-N 3.42Å
239K83.5Confident82Confident180 Ų18050.6 Ų50.678%0.78331%0.305SS*.Hα-helixtrans-58.4-34.3171.1-69.3-178.6179.7176.90111.8L243K239-L243 WeakPolarHBondContact O-CB 3.26Å; K239-L243 VanDerWaalsContact O-CG 3.23Å; K239-L243 WeakPolarHBondContact O-CG 3.39Å; K239-L243 PolarHBondContact O-N 3.5Å
240E84.9Confident81Confident140 Ų14053.1 Ų53.165%0.65431%0.312SS*.Hα-helixtrans-72.3-43177.9-56.3159.5166.300111.2S238 L242 L243 A244S238-E240 PolarHBondContact O-N 2.91Å; S238-E240 WeakPolarHBondContact OG-CB 3.43Å; S238-E240 PolarHBondContact OG-N 3.31Å; E240-L242 VanDerWaalsContact C-N 3.25Å; E240-L242 PolarHBondContact O-N 2.91Å; E240-L243 CarbonylContact O-C 3.56Å; E240-L243 PolarHBondContact O-N 3.08Å; E240-L243 VanDerWaalsContact O-N 3.11Å; E240-A244 WeakPolarHBondContact O-CB 3.42Å; E240-A244 PolarHBondContact O-N 2.93Å
241D83.6Confident80Confident20 Ų2056.2 Ų56.211%0.10734%0.338CS..Hα-helixtrans-58.1-42.6174.5-63.6-47.1000110.5P237 S238 A244 L245 T288 K291P237-D241 HydrophobicContact CB-CB 3.76Å; S238-D241 VanDerWaalsContact CB-OD2 3.26Å; S238-D241 WeakPolarHBondContact CB-OD2 3.39Å; S238-D241 PolarHBondContact N-OD2 3.26Å; S238-D241 PolarHBondContact O-N 3.44Å; S238-D241 PolarHBondContact OG-N 3.04Å; S238-D241 VanDerWaalsContact OG-N 3.16Å; S238-D241 PolarHBondContact OG-OD2 3.34Å; D241-A244 PolarHBondContact O-N 3.1Å; D241-L245 PolarHBondContact O-N 3.16Å; D241-T288 VanDerWaalsContact CB-OG1 3.31Å; D241-T288 WeakPolarHBondContact CB-OG1 3.48Å; D241-T288 WeakPolarHBondContact OD1-CB 3.36Å; D241-T288 PolarHBondContact OD1-OG1 2.94Å; D241-K291 WeakPolarHBondContact OD1-CE 3.44Å; D241-K291 IonicContact OD1-NZ 2.71Å; D241-K291 PolarHBondContact OD1-NZ 3.11Å; D241-K291 IonicContact OD2-NZ 3.65Å
242L82.5Confident79.1Confident15 Ų1558.4 Ų58.48%0.07935%0.354CS..Hα-helixtrans-68-38.3174.2-70.2175.9000112.9P237 S238 E240 A244 L245 R250 V253 L254P237-L242 HydrophobicContact CB-CD2 4.25Å; P237-L242 HydrophobicContact CB-CG 4.17Å; P237-L242 HydrophobicContact CG-CD2 3.82Å; P237-L242 HydrophobicContact CG-CG 4.08Å; S238-L242 WeakPolarHBondContact O-CB 3.39Å; S238-L242 WeakPolarHBondContact O-CG 3.48Å; S238-L242 PolarHBondContact O-N 3.42Å; E240-L242 VanDerWaalsContact C-N 3.25Å; E240-L242 PolarHBondContact O-N 2.91Å; L242-A244 VanDerWaalsContact C-N 3.31Å; L242-L245 HydrophobicContact CD2-CD1 3.99Å; L242-L245 WeakPolarHBondContact O-CB 3.27Å; L242-L245 PolarHBondContact O-N 2.87Å; L242-R250 HydrophobicContact CB-CG 4.04Å; L242-R250 HydrophobicContact CD2-CG 4.49Å; L242-R250 WeakPolarHBondContact O-CD 3.04Å; L242-R250 WeakPolarHBondContact O-CG 3.17Å; L242-V253 HydrophobicContact CD2-CB 4Å; L242-V253 HydrophobicContact CD2-CG1 3.63Å; L242-L254 HydrophobicContact CD1-CD2 3.73Å; L242-L254 HydrophobicContact CD1-CG 4.25Å
243L79.8Confident78.4Confident119 Ų11956.5 Ų56.562%0.62335%0.345SS*.Hα-helixtrans-66.6-32.9174-77.3172.6000112.4K239 E240 L245K239-L243 WeakPolarHBondContact O-CB 3.26Å; K239-L243 VanDerWaalsContact O-CG 3.23Å; K239-L243 WeakPolarHBondContact O-CG 3.39Å; K239-L243 PolarHBondContact O-N 3.5Å; E240-L243 CarbonylContact O-C 3.56Å; E240-L243 PolarHBondContact O-N 3.08Å; E240-L243 VanDerWaalsContact O-N 3.11Å; L243-L245 VanDerWaalsContact C-N 3.29Å
244A77.7Confident77.7Confident42 Ų4260.4 Ų60.435%0.34737%0.365SS..Hα-helixtrans-71.6-23.617700000112.2R194 E240 D241 L242R194-A244 VanDerWaalsContact CZ-O 3.25Å; R194-A244 PolarHBondContact NH1-O 3.39Å; R194-A244 PolarHBondContact NH2-O 3.23Å; E240-A244 WeakPolarHBondContact O-CB 3.42Å; E240-A244 PolarHBondContact O-N 2.93Å; D241-A244 PolarHBondContact O-N 3.1Å; L242-A244 VanDerWaalsContact C-N 3.31Å
245L72.9Confident76.8Confident14 Ų1467.5 Ų67.57%0.07340%0.397CS..SBendtrans-70.4146.7166.9-62.7173.1000111.1L190 D241 L242 L243 C249 V253 F287L190-L245 HydrophobicContact CD1-CD1 4.2Å; L190-L245 HydrophobicContact CD1-CD2 4.35Å; D241-L245 PolarHBondContact O-N 3.16Å; L242-L245 HydrophobicContact CD2-CD1 3.99Å; L242-L245 WeakPolarHBondContact O-CB 3.27Å; L242-L245 PolarHBondContact O-N 2.87Å; L243-L245 VanDerWaalsContact C-N 3.29Å; L245-C249 HydrophobicContact CB-CB 4.22Å; L245-V253 HydrophobicContact CD1-CG2 4.1Å; L245-F287 HydrophobicContact CD1-CE1 3.84Å; L245-F287 HydrophobicContact CD1-CZ 3.79Å; L245-F287 HydrophobicContact CD2-CE1 4.09Å; L245-F287 HydrophobicContact CD2-CZ 4.36Å; L245-F287 HydrophobicContact CG-CE1 4.2Å
246G68.9Low76.1Confident37 Ų3765.1 Ų65.138%0.38138%0.376SS..  trans-54.7145.8167.900000112.2G248 C249 R250G246-G248 VanDerWaalsContact C-N 3.29Å; G246-G248 PolarHBondContact O-N 3.45Å; G246-C249 WeakPolarHBondContact O-CB 3.3Å; G246-C249 PolarHBondContact O-N 3.47Å; G246-C249 VanDerWaalsContact O-N 3.09Å; G246-R250 PolarHBondContact O-N 3.11Å; G246-R250 VanDerWaalsContact O-N 3.15Å
247S63.4Low75.5Confident95 Ų9564 Ų6466%0.66437%0.365SS*.Hα-helixtrans-53.4-40.8-17251.90000114R250S247-R250 WeakPolarHBondContact O-CB 3.33Å; S247-R250 PolarHBondContact O-N 2.92Å
248G67Low74.2Confident53 Ų5366.8 Ų66.855%0.54640%0.397SS..Hα-helixtrans-63.9-46.9176.400000113.5G246 R250G246-G248 VanDerWaalsContact C-N 3.29Å; G246-G248 PolarHBondContact O-N 3.45Å; G248-R250 VanDerWaalsContact C-N 3.25Å; G248-R250 PolarHBondContact O-N 2.91Å
249C66.6Low72.9Confident20 Ų2069 Ų6914%0.13541%0.412CS..Hα-helixtrans-56-42.3175.4-51.20000111.6L190 L245 G246 A251 S252 V253L190-C249 HydrophobicContact CB-CB 4.13Å; L190-C249 HydrophobicContact CD2-CB 4.35Å; L190-C249 PolarHBondContact O-SG 3.14Å; L245-C249 HydrophobicContact CB-CB 4.22Å; G246-C249 WeakPolarHBondContact O-CB 3.3Å; G246-C249 PolarHBondContact O-N 3.47Å; G246-C249 VanDerWaalsContact O-N 3.09Å; C249-A251 PolarHBondContact O-N 3.33Å; C249-S252 PolarHBondContact O-N 3.18Å; C249-V253 PolarHBondContact O-N 2.84Å
250R71.4Confident72Confident88 Ų8866.5 Ų66.533%0.33240%0.397SS..Hα-helixtrans-61.6-44.4-170.6-167.6173.178.8-152.28.6113.3L242 G246 S247 G248 S252 V253 L254L242-R250 HydrophobicContact CB-CG 4.04Å; L242-R250 HydrophobicContact CD2-CG 4.49Å; L242-R250 WeakPolarHBondContact O-CD 3.04Å; L242-R250 WeakPolarHBondContact O-CG 3.17Å; G246-R250 PolarHBondContact O-N 3.11Å; G246-R250 VanDerWaalsContact O-N 3.15Å; S247-R250 WeakPolarHBondContact O-CB 3.33Å; S247-R250 PolarHBondContact O-N 2.92Å; G248-R250 VanDerWaalsContact C-N 3.25Å; G248-R250 PolarHBondContact O-N 2.91Å; R250-S252 VanDerWaalsContact C-N 3.32Å; R250-S252 PolarHBondContact O-N 3.16Å; R250-V253 PolarHBondContact O-N 3.13Å; R250-L254 HydrophobicContact CG-CD1 4.33Å; R250-L254 PolarHBondContact O-N 3.09Å; R250-L254 VanDerWaalsContact O-N 3.13Å
251A71.1Confident71.1Confident65 Ų6565.4 Ų65.454%0.53740%0.402SS..Hα-helixtrans-61.4-41.3178.800000111.8C249 V253 L254 H255C249-A251 PolarHBondContact O-N 3.33Å; A251-V253 PolarHBondContact O-N 3.08Å; A251-L254 PolarHBondContact O-N 2.68Å; A251-H255 PolarHBondContact O-N 3.17Å; A251-H255 VanDerWaalsContact O-N 3.16Å
252S72.4Confident71Confident53 Ų5370 Ų7037%0.37142%0.418SS..Hα-helixtrans-68.1-32.8179.4-50.90000113.3C249 R250 R256C249-S252 PolarHBondContact O-N 3.18Å; R250-S252 VanDerWaalsContact C-N 3.32Å; R250-S252 PolarHBondContact O-N 3.16Å; S252-R256 PolarHBondContact O-NE 3.41Å; S252-R256 PolarHBondContact O-NH1 3.12Å; S252-R256 PolarHBondContact O-NH2 3.05Å
253V75.6Confident71.1Confident0 Ų074.9 Ų74.90%044%0.441CS..Hα-helixtrans-69.6-46.2174.3177.80000111.1L190 L231 P237 L242 L245 C249 R250 A251 H255 R256 L257 F287L190-V253 HydrophobicContact CD1-CG2 3.5Å; L190-V253 VanDerWaalsContact CD1-CG2 3.5Å; L190-V253 HydrophobicContact CD2-CG2 3.73Å; L190-V253 HydrophobicContact CG-CG2 4.26Å; L231-V253 HydrophobicContact CD1-CG1 4.06Å; L231-V253 HydrophobicContact CD2-CG1 4.36Å; P237-V253 HydrophobicContact CG-CG1 4.15Å; L242-V253 HydrophobicContact CD2-CB 4Å; L242-V253 HydrophobicContact CD2-CG1 3.63Å; L245-V253 HydrophobicContact CD1-CG2 4.1Å; C249-V253 PolarHBondContact O-N 2.84Å; R250-V253 PolarHBondContact O-N 3.13Å; A251-V253 PolarHBondContact O-N 3.08Å; V253-H255 VanDerWaalsContact C-N 3.32Å; V253-H255 PolarHBondContact O-N 3.39Å; V253-R256 PolarHBondContact O-N 3.06Å; V253-L257 HydrophobicContact CG1-CD1 3.95Å; V253-L257 HydrophobicContact CG1-CG 4.39Å; V253-L257 PolarHBondContact O-N 3.25Å; V253-F287 HydrophobicContact CG2-CZ 4.28Å
254L75.2Confident71.4Confident96 Ų9672.8 Ų72.850%0.50343%0.433SS..Hα-helixtrans-58.2-42.6179.6-76.4168.1000112.4L242 R250 A251 R256 L257L242-L254 HydrophobicContact CD1-CD2 3.73Å; L242-L254 HydrophobicContact CD1-CG 4.25Å; R250-L254 HydrophobicContact CG-CD1 4.33Å; R250-L254 PolarHBondContact O-N 3.09Å; R250-L254 VanDerWaalsContact O-N 3.13Å; A251-L254 PolarHBondContact O-N 2.68Å; L254-R256 VanDerWaalsContact C-N 3.28Å; L254-R256 PolarHBondContact O-N 3.14Å; L254-L257 PolarHBondContact O-N 2.87Å
255H72.9Confident72Confident150 Ų15071.3 Ų71.369%0.69442%0.419SS*.Hα-helixtrans-59.6-35.9175.4-175.1-56.6000112.8A251 V253A251-H255 PolarHBondContact O-N 3.17Å; A251-H255 VanDerWaalsContact O-N 3.16Å; V253-H255 VanDerWaalsContact C-N 3.32Å; V253-H255 PolarHBondContact O-N 3.39Å
256R71.2Confident72.8Confident48 Ų4873.7 Ų73.718%0.18143%0.432CS..Hα-helixtrans-78.1-29.6-178.3-78.3-178.4-79.9-85.96.4113.7L224 L227 E228 L231 S252 V253 L254 G258L224-R256 HydrophobicContact CD1-CG 4.32Å; L227-R256 VanDerWaalsContact CD2-NH2 3.26Å; E228-R256 HydrophobicContact CG-CG 4.3Å; L231-R256 HydrophobicContact CD1-CB 3.88Å; S252-R256 PolarHBondContact O-NE 3.41Å; S252-R256 PolarHBondContact O-NH1 3.12Å; S252-R256 PolarHBondContact O-NH2 3.05Å; V253-R256 PolarHBondContact O-N 3.06Å; L254-R256 VanDerWaalsContact C-N 3.28Å; L254-R256 PolarHBondContact O-N 3.14Å; R256-G258 VanDerWaalsContact C-N 3.26Å; R256-G258 PolarHBondContact O-N 3.19Å
257L71.7Confident73.9Confident55 Ų5575.3 Ų75.329%0.28844%0.442SS..Hα-helixtrans-69.4-19-177.4-77168.1000114.2L231 P236 P237 V253 L254L231-L257 HydrophobicContact CB-CD2 4.23Å; L231-L257 HydrophobicContact CD2-CD2 4.18Å; P236-L257 HydrophobicContact CB-CD2 4.08Å; P237-L257 HydrophobicContact CG-CD1 4.18Å; V253-L257 HydrophobicContact CG1-CD1 3.95Å; V253-L257 HydrophobicContact CG1-CG 4.39Å; V253-L257 PolarHBondContact O-N 3.25Å; L254-L257 PolarHBondContact O-N 2.87Å
258G59.2Low75.3Confident72 Ų7271.8 Ų71.874%0.74242%0.415SS*.THydrogen-bonded Turntrans-92.51.8-17000000117.3R256R256-G258 VanDerWaalsContact C-N 3.26Å; R256-G258 PolarHBondContact O-N 3.19Å
259S59Low76.6Confident86 Ų8670.1 Ų70.160%0.60139%0.394SS*.SBendtrans-120.5-11.2-156.7-54.40000118.3
260R65.4Low77.9Confident129 Ų12971 Ų7149%0.48740%0.399SS..SBendtrans-146.2153.9-170.2-77.1-178.8-172156.313.6114.8E228 E232E228-R260 IonicContact OE1-NH2 3.43Å; E228-R260 IonicContact OE2-CZ 2.67Å; E228-R260 IonicContact OE2-NH1 2.67Å; E228-R260 PolarHBondContact OE2-NH1 2.72Å; E228-R260 IonicContact OE2-NH2 2.89Å; E228-R260 PolarHBondContact OE2-NH2 3.35Å; E232-R260 HydrophobicContact CG-CB 4.44Å; E232-R260 WeakPolarHBondContact OE1-CD 3.33Å; E232-R260 IonicContact OE1-CZ 3.5Å; E232-R260 IonicContact OE1-NE 3.34Å; E232-R260 IonicContact OE1-NH1 3.58Å; E232-R260 PolarHBondContact OE1-NH1 3.26Å
261P66.6Low78.9Confident117 Ų11773.6 Ų73.676%0.7643%0.427SS*.  trans-63.6142.1169.929.1-35.4000110.7
262R80.5Confident79.8Confident115 Ų11577.1 Ų77.143%0.43444%0.437SS..  trans-96.4143.9-175.2-48.9-172.989.7-114.64.8110.1L231 E232 I234L231-R262 PolarHBondContact O-NE 3.43Å; L231-R262 PolarHBondContact O-NH2 2.92Å; E232-R262 CarbonylContact O-C 3.59Å; E232-R262 VanDerWaalsContact O-CA 3.31Å; E232-R262 WeakPolarHBondContact O-CA 3.48Å; E232-R262 WeakPolarHBondContact O-CB 3.43Å; I234-R262 PolarHBondContact O-NH1 3.04Å; I234-R262 VanDerWaalsContact O-NH1 3.15Å; I234-R262 PolarHBondContact O-NH2 3.48Å
263Q83.9Confident80.9Confident119 Ų11976 Ų7656%0.55643%0.429SS*.  trans-108.7137.9171.9-64.8-173.6300108.6E232 T233E232-Q263 PolarHBondContact O-N 3.31Å; T233-Q263 WeakPolarHBondContact CA-O 3.1Å
264T87.1Confident81.8Confident74 Ų7477.1 Ų77.145%0.45444%0.436SS..  trans-75.6151.7175.752.90000110.5D266 A267 L268T264-D266 WeakPolarHBondContact CB-OD2 3.22Å; T264-D266 PolarHBondContact O-N 3.17Å; T264-D266 PolarHBondContact OG1-OD2 3.46Å; T264-A267 WeakPolarHBondContact O-CB 3.34Å; T264-A267 PolarHBondContact O-N 3.27Å; T264-A267 WeakPolarHBondContact OG1-CB 3.22Å; T264-A267 PolarHBondContact OG1-N 2.92Å; T264-L268 PolarHBondContact O-N 3.45Å
265L89Confident82.9Confident11 Ų1177.2 Ų77.26%0.05844%0.442CS..THydrogen-bonded Turntrans-61.3-33.8179.3-17660.3000112.1L217 T233 L268 L269 L278 L281 R282 L285L217-L265 HydrophobicContact CD2-CD1 4.33Å; T233-L265 HydrophobicContact CG2-CB 4.19Å; T233-L265 HydrophobicContact CG2-CD1 3.86Å; L265-L268 WeakPolarHBondContact O-CB 3.01Å; L265-L268 PolarHBondContact O-N 2.95Å; L265-L269 WeakPolarHBondContact O-CG 3.44Å; L265-L278 HydrophobicContact CG-CD1 4.45Å; L265-L281 HydrophobicContact CD1-CD2 3.89Å; L265-L281 HydrophobicContact CD2-CB 4.35Å; L265-L281 HydrophobicContact CD2-CD2 3.86Å; L265-L281 HydrophobicContact CD2-CG 3.93Å; L265-L281 HydrophobicContact CG-CD2 3.9Å; L265-R282 HydrophobicContact CD2-CG 3.84Å; L265-L285 HydrophobicContact CD1-CD1 4.05Å; L265-L285 HydrophobicContact CD2-CD1 4.19Å
266D91.8Very high84Confident64 Ų6473.4 Ų73.434%0.34243%0.425SS..G310 helixtrans-61-42.3169.731.9-77.5000113.2T264 L268 L269 L278 R282T264-D266 WeakPolarHBondContact CB-OD2 3.22Å; T264-D266 PolarHBondContact O-N 3.17Å; T264-D266 PolarHBondContact OG1-OD2 3.46Å; D266-L268 PolarHBondContact O-N 3.33Å; D266-L268 VanDerWaalsContact O-N 3.12Å; D266-L269 PolarHBondContact O-N 3.1Å; D266-L269 VanDerWaalsContact O-N 3.14Å; D266-L278 HydrophobicContact CB-CD1 4.2Å; D266-L278 HydrophobicContact CB-CD2 3.97Å; D266-R282 IonicContact OD1-CZ 2.7Å; D266-R282 IonicContact OD1-NE 2.73Å; D266-R282 IonicContact OD1-NH2 3.65Å; D266-R282 PolarHBondContact OD1-NH2 3.41Å
267A92Very high85.3Confident71 Ų7171.1 Ų71.159%0.58742%0.416SS*.G310 helixtrans-67-10.4175.500000114T264T264-A267 WeakPolarHBondContact O-CB 3.34Å; T264-A267 PolarHBondContact O-N 3.27Å; T264-A267 WeakPolarHBondContact OG1-CB 3.22Å; T264-A267 PolarHBondContact OG1-N 2.92Å
268L92.3Very high86.5Confident21 Ų2169.8 Ų69.811%0.1141%0.409CS..G310 helixtrans-93.5-6.2175.7-71.6-170.4000114.2R213 T233 T264 L265 D266R213-L268 WeakPolarHBondContact CD-O 3.36Å; R213-L268 PolarHBondContact NH1-O 3.01Å; T233-L268 HydrophobicContact CG2-CD1 3.48Å; T233-L268 VanDerWaalsContact CG2-CD1 3.48Å; T264-L268 PolarHBondContact O-N 3.45Å; L265-L268 WeakPolarHBondContact O-CB 3.01Å; L265-L268 PolarHBondContact O-N 2.95Å; D266-L268 PolarHBondContact O-N 3.33Å; D266-L268 VanDerWaalsContact O-N 3.12Å
269L94.6Very high88.4Confident18 Ų1869.3 Ų69.39%0.09439%0.39CS..SBendtrans-115.1165.7-173.6-61.5170.7000111.4L212 R213 L217 L265 D266 T273 L278 L281L212-L269 HydrophobicContact CB-CD2 4.17Å; L212-L269 HydrophobicContact CD1-CD2 4.48Å; R213-L269 HydrophobicContact CB-CD2 4.27Å; L217-L269 HydrophobicContact CD2-CD2 4.46Å; L265-L269 WeakPolarHBondContact O-CG 3.44Å; D266-L269 PolarHBondContact O-N 3.1Å; D266-L269 VanDerWaalsContact O-N 3.14Å; L269-T273 HydrophobicContact CD1-CG2 4.15Å; L269-L278 HydrophobicContact CD1-CD1 3.99Å; L269-L281 HydrophobicContact CD1-CD2 3.69Å; L269-L281 HydrophobicContact CD2-CD2 4.12Å; L269-L281 HydrophobicContact CG-CD2 4.43Å
270P93.6Very high90.2Very high39 Ų3965.2 Ų65.225%0.25336%0.361SS..  trans-59.7141170.4-23.934.6000112.2L212 D272 T273L212-P270 WeakPolarHBondContact O-CG 3.14Å; P270-D272 WeakPolarHBondContact CB-OD1 3.38Å; P270-D272 PolarHBondContact O-N 3.06Å; P270-D272 VanDerWaalsContact O-N 3.12Å; P270-T273 WeakPolarHBondContact CD-OG1 3.4Å; P270-T273 VanDerWaalsContact O-CB 3.26Å; P270-T273 WeakPolarHBondContact O-CB 3.44Å; P270-T273 PolarHBondContact O-N 2.95Å; P270-T273 PolarHBondContact O-OG1 3.22Å
271P91.5Very high91.8Very high142 Ų14259 Ų5992%0.92234%0.338SS*.THydrogen-bonded Turntrans-61-20.2-179.4-24.835.1000115.2
272D90.3Very high93.2Very high140 Ų14059.1 Ų59.175%0.74932%0.323SS*.THydrogen-bonded Turntrans-87.83.5176.657.9-50.4000113.9P270 S274P270-D272 WeakPolarHBondContact CB-OD1 3.38Å; P270-D272 PolarHBondContact O-N 3.06Å; P270-D272 VanDerWaalsContact O-N 3.12Å; D272-S274 PolarHBondContact O-N 2.83Å
273T95.4Very high94.1Very high30 Ų3058.9 Ų58.918%0.18432%0.322CS..  trans-59.6127.7175-59.60000111.2L212 L269 P270 A277L212-T273 HydrophobicContact CD1-CG2 4.16Å; L212-T273 HydrophobicContact CD2-CG2 4.41Å; L269-T273 HydrophobicContact CD1-CG2 4.15Å; P270-T273 WeakPolarHBondContact CD-OG1 3.4Å; P270-T273 VanDerWaalsContact O-CB 3.26Å; P270-T273 WeakPolarHBondContact O-CB 3.44Å; P270-T273 PolarHBondContact O-N 2.95Å; P270-T273 PolarHBondContact O-OG1 3.22Å; T273-A277 HydrophobicContact CG2-CB 3.9Å
274S95.4Very high94.8Very high23 Ų2353.2 Ų53.216%0.16130%0.296CS..  trans-66.9149-176.295.20000112.7R115 D272 E276 A277 L278R115-S274 PolarHBondContact NH2-OG 2.96Å; D272-S274 PolarHBondContact O-N 2.83Å; S274-E276 WeakPolarHBondContact CB-OE2 3.45Å; S274-E276 PolarHBondContact O-N 3.35Å; S274-E276 PolarHBondContact OG-OE2 3.42Å; S274-A277 WeakPolarHBondContact O-CB 3.37Å; S274-A277 PolarHBondContact O-N 3.39Å; S274-A277 VanDerWaalsContact O-N 3.1Å; S274-A277 PolarHBondContact OG-N 3.23Å; S274-L278 PolarHBondContact O-N 3.26Å; S274-L278 VanDerWaalsContact O-N 3.13Å
275P96.9Very high95.2Very high97 Ų9749.8 Ų49.863%0.6327%0.274SS*.Hα-helixtrans-57.6-35.1179.9-25.935.6000113.4L278 D279P275-L278 PolarHBondContact O-N 3.31Å; P275-D279 PolarHBondContact O-N 2.92Å
276E97.8Very high95.5Very high70 Ų7051.1 Ų51.133%0.32728%0.283SS..Hα-helixtrans-72.9-31.9-180-41.971.3-144.600111.8S274 L280 H301 P302 Y303S274-E276 WeakPolarHBondContact CB-OE2 3.45Å; S274-E276 PolarHBondContact O-N 3.35Å; S274-E276 PolarHBondContact OG-OE2 3.42Å; E276-L280 WeakPolarHBondContact O-CB 3.22Å; E276-L280 PolarHBondContact O-N 2.88Å; E276-H301 PolarHBondContact O-CE1 3.1Å; E276-P302 HydrophobicContact CB-CB 4.43Å; E276-P302 HydrophobicContact CG-CB 4.18Å; E276-Y303 HydrophobicContact CB-CD2 4.24Å
277A97.4Very high95.5Very high0 Ų048.4 Ų48.40%027%0.268CS..Hα-helixtrans-65.4-45.2173.400000110.4L212 T273 S274 L281 Y303L212-A277 HydrophobicContact CD1-CB 4.15Å; L212-A277 HydrophobicContact CD2-CB 4.37Å; T273-A277 HydrophobicContact CG2-CB 3.9Å; S274-A277 WeakPolarHBondContact O-CB 3.37Å; S274-A277 PolarHBondContact O-N 3.39Å; S274-A277 VanDerWaalsContact O-N 3.1Å; S274-A277 PolarHBondContact OG-N 3.23Å; A277-L281 VanDerWaalsContact O-CB 3.28Å; A277-L281 WeakPolarHBondContact O-CB 3.39Å; A277-L281 PolarHBondContact O-N 3Å; A277-Y303 HydrophobicContact CB-CD2 3.66Å; A277-Y303 HydrophobicContact CB-CE1 4.49Å; A277-Y303 HydrophobicContact CB-CE2 3.39Å; A277-Y303 HydrophobicContact CB-CG 4.36Å
278L97.3Very high95.4Very high28 Ų2845.4 Ų45.415%0.14724%0.242CC..Hα-helixtrans-66.8-40.5177.8178.160.4000112.3L265 D266 L269 S274 P275 L281 R282L265-L278 HydrophobicContact CG-CD1 4.45Å; D266-L278 HydrophobicContact CB-CD1 4.2Å; D266-L278 HydrophobicContact CB-CD2 3.97Å; L269-L278 HydrophobicContact CD1-CD1 3.99Å; S274-L278 PolarHBondContact O-N 3.26Å; S274-L278 VanDerWaalsContact O-N 3.13Å; P275-L278 PolarHBondContact O-N 3.31Å; L278-L281 PolarHBondContact O-N 3Å; L278-R282 HydrophobicContact CD1-CG 4.26Å; L278-R282 WeakPolarHBondContact O-CB 3.48Å; L278-R282 VanDerWaalsContact O-CG 3.23Å; L278-R282 WeakPolarHBondContact O-CG 3.35Å; L278-R282 PolarHBondContact O-N 3.5Å
279D98.1Very high95.3Very high61 Ų6145.1 Ų45.133%0.32624%0.242SC..Hα-helixtrans-63.9-47.6174.9-171.259.8000111.6P275 L281 R282 R283 H301P275-D279 PolarHBondContact O-N 2.92Å; D279-L281 VanDerWaalsContact C-N 3.3Å; D279-L281 PolarHBondContact O-N 3.22Å; D279-R282 PolarHBondContact O-N 2.98Å; D279-R283 VanDerWaalsContact CG-CD 3.45Å; D279-R283 WeakPolarHBondContact O-CB 3.43Å; D279-R283 VanDerWaalsContact O-CG 3.26Å; D279-R283 WeakPolarHBondContact O-CG 3.11Å; D279-R283 PolarHBondContact O-N 3.21Å; D279-R283 WeakPolarHBondContact OD1-CD 3.47Å; D279-R283 WeakPolarHBondContact OD2-CD 3.36Å; D279-R283 IonicContact OD2-CZ 3.79Å; D279-R283 IonicContact OD2-NE 3.73Å; D279-R283 IonicContact OD2-NH1 2.76Å; D279-R283 PolarHBondContact OD2-NH1 3.3Å; D279-H301 IonicContact OD2-CE1 3.16Å; D279-H301 IonicContact OD2-NE2 2.72Å; D279-H301 PolarHBondContact OD2-NE2 2.76Å
280L98.4Very high95Very high0 Ų049.4 Ų49.40%027%0.265CS..Hα-helixtrans-57-46.2176.2-17650.6000111.1F118 L208 E276 R283 L284 L293 A298 H301 Y303F118-L280 HydrophobicContact CD1-CD2 4.03Å; F118-L280 HydrophobicContact CE1-CD2 3.79Å; F118-L280 HydrophobicContact CE1-CG 4.35Å; L208-L280 HydrophobicContact CD2-CB 4.37Å; L208-L280 HydrophobicContact CD2-CD2 4.03Å; L208-L280 HydrophobicContact CD2-CG 4Å; E276-L280 WeakPolarHBondContact O-CB 3.22Å; E276-L280 PolarHBondContact O-N 2.88Å; L280-R283 PolarHBondContact O-N 3.29Å; L280-L284 HydrophobicContact CD1-CD1 3.94Å; L280-L284 HydrophobicContact CD1-CG 4.15Å; L280-L284 HydrophobicContact CG-CD1 3.92Å; L280-L284 VanDerWaalsContact O-CG 3.27Å; L280-L284 WeakPolarHBondContact O-CG 3.28Å; L280-L284 PolarHBondContact O-N 2.85Å; L280-L293 HydrophobicContact CD1-CD1 3.77Å; L280-A298 HydrophobicContact CD1-CB 4.17Å; L280-H301 HydrophobicContact CD1-CB 4.14Å; L280-H301 HydrophobicContact CD2-CB 4.48Å; L280-Y303 HydrophobicContact CD2-CD1 3.71Å; L280-Y303 HydrophobicContact CD2-CG 4.23Å
281L97.7Very high95Very high0 Ų052.4 Ų52.40%027%0.274CS..Hα-helixtrans-63.8-42.7179.6-164.973.2000112.1G205 L208 L265 L269 A277 L278 D279 R283 L284 L285G205-L281 WeakPolarHBondContact O-CD1 3.47Å; L208-L281 HydrophobicContact CB-CD1 3.9Å; L208-L281 HydrophobicContact CD2-CB 4.38Å; L208-L281 HydrophobicContact CD2-CD1 4.04Å; L208-L281 HydrophobicContact CG-CD1 3.98Å; L265-L281 HydrophobicContact CD1-CD2 3.89Å; L265-L281 HydrophobicContact CD2-CB 4.35Å; L265-L281 HydrophobicContact CD2-CD2 3.86Å; L265-L281 HydrophobicContact CD2-CG 3.93Å; L265-L281 HydrophobicContact CG-CD2 3.9Å; L269-L281 HydrophobicContact CD1-CD2 3.69Å; L269-L281 HydrophobicContact CD2-CD2 4.12Å; L269-L281 HydrophobicContact CG-CD2 4.43Å; A277-L281 VanDerWaalsContact O-CB 3.28Å; A277-L281 WeakPolarHBondContact O-CB 3.39Å; A277-L281 PolarHBondContact O-N 3Å; L278-L281 PolarHBondContact O-N 3Å; D279-L281 VanDerWaalsContact C-N 3.3Å; D279-L281 PolarHBondContact O-N 3.22Å; L281-R283 VanDerWaalsContact C-N 3.3Å; L281-R283 PolarHBondContact O-N 3.45Å; L281-L284 PolarHBondContact O-N 3.41Å; L281-L285 HydrophobicContact CD1-CD1 4.05Å; L281-L285 HydrophobicContact CG-CD1 3.91Å; L281-L285 WeakPolarHBondContact O-CB 3.34Å; L281-L285 WeakPolarHBondContact O-CG 3.35Å; L281-L285 PolarHBondContact O-N 3.08Å
282R97.3Very high95.3Very high118 Ų11846.3 Ų46.345%0.44523%0.232SC..Hα-helixtrans-61.9-35.4174.5-75.6171.2174.3168.8-3.3112.4L265 D266 L278 D279 V286L265-R282 HydrophobicContact CD2-CG 3.84Å; D266-R282 IonicContact OD1-CZ 2.7Å; D266-R282 IonicContact OD1-NE 2.73Å; D266-R282 IonicContact OD1-NH2 3.65Å; D266-R282 PolarHBondContact OD1-NH2 3.41Å; L278-R282 HydrophobicContact CD1-CG 4.26Å; L278-R282 WeakPolarHBondContact O-CB 3.48Å; L278-R282 VanDerWaalsContact O-CG 3.23Å; L278-R282 WeakPolarHBondContact O-CG 3.35Å; L278-R282 PolarHBondContact O-N 3.5Å; D279-R282 PolarHBondContact O-N 2.98Å; R282-V286 WeakPolarHBondContact O-CG2 3.22Å
283R98Very high95.6Very high111 Ų11140.5 Ų40.542%0.41920%0.201SC..Hα-helixtrans-88.5-9.4-177.3-63.1169.577-170.76.2113.8D279 L280 L281 L293 H301D279-R283 VanDerWaalsContact CG-CD 3.45Å; D279-R283 WeakPolarHBondContact O-CB 3.43Å; D279-R283 VanDerWaalsContact O-CG 3.26Å; D279-R283 WeakPolarHBondContact O-CG 3.11Å; D279-R283 PolarHBondContact O-N 3.21Å; D279-R283 WeakPolarHBondContact OD1-CD 3.47Å; D279-R283 WeakPolarHBondContact OD2-CD 3.36Å; D279-R283 IonicContact OD2-CZ 3.79Å; D279-R283 IonicContact OD2-NE 3.73Å; D279-R283 IonicContact OD2-NH1 2.76Å; D279-R283 PolarHBondContact OD2-NH1 3.3Å; L280-R283 PolarHBondContact O-N 3.29Å; L281-R283 VanDerWaalsContact C-N 3.3Å; L281-R283 PolarHBondContact O-N 3.45Å; R283-L293 HydrophobicContact CB-CD1 3.54Å; R283-L293 HydrophobicContact CB-CG 3.86Å; R283-L293 PolarHBondContact O-N 3.21Å; R283-H301 PolarHBondContact NH1-NE2 2.95Å
284L98.1Very high95.8Very high0 Ų041.3 Ų41.30%021%0.208CC..Hα-helixtrans-91.8-42.4165.7-69.5168.4000112F118 M201 L208 L280 L281 V286 R292 L293F118-L284 HydrophobicContact CE1-CD1 4Å; F118-L284 HydrophobicContact CZ-CD1 3.65Å; M201-L284 HydrophobicContact CB-CD2 4.24Å; M201-L284 HydrophobicContact CE-CD2 3.62Å; L208-L284 HydrophobicContact CD2-CD1 4.41Å; L280-L284 HydrophobicContact CD1-CD1 3.94Å; L280-L284 HydrophobicContact CD1-CG 4.15Å; L280-L284 HydrophobicContact CG-CD1 3.92Å; L280-L284 VanDerWaalsContact O-CG 3.27Å; L280-L284 WeakPolarHBondContact O-CG 3.28Å; L280-L284 PolarHBondContact O-N 2.85Å; L281-L284 PolarHBondContact O-N 3.41Å; L284-V286 PolarHBondContact O-N 3.02Å; L284-R292 WeakPolarHBondContact O-CD 3.5Å; L284-R292 WeakPolarHBondContact O-CG 3.47Å; L284-L293 HydrophobicContact CD2-CB 4.31Å
285L97.4Very high95.9Very high2 Ų240.3 Ų40.31%0.0120%0.201CC..SBendtrans-85.245.2-178.1-62.2179.2000113.1W202 L217 F218 I234 L265 L281W202-L285 HydrophobicContact CD2-CD2 3.9Å; W202-L285 HydrophobicContact CE3-CB 4.5Å; W202-L285 HydrophobicContact CE3-CD2 3.92Å; W202-L285 HydrophobicContact CH2-CB 4.33Å; W202-L285 HydrophobicContact CH2-CD2 3.99Å; W202-L285 HydrophobicContact CZ2-CD2 3.98Å; W202-L285 HydrophobicContact CZ3-CB 4.02Å; W202-L285 HydrophobicContact CZ3-CD2 3.98Å; L217-L285 HydrophobicContact CD1-CD1 3.56Å; F218-L285 HydrophobicContact CE2-CD1 4.2Å; F218-L285 HydrophobicContact CE2-CD2 4.32Å; F218-L285 HydrophobicContact CZ-CD1 4.23Å; I234-L285 HydrophobicContact CG2-CB 4.14Å; I234-L285 WeakPolarHBondContact CG2-O 3.44Å; L265-L285 HydrophobicContact CD1-CD1 4.05Å; L265-L285 HydrophobicContact CD2-CD1 4.19Å; L281-L285 HydrophobicContact CD1-CD1 4.05Å; L281-L285 HydrophobicContact CG-CD1 3.91Å; L281-L285 WeakPolarHBondContact O-CB 3.34Å; L281-L285 WeakPolarHBondContact O-CG 3.35Å; L281-L285 PolarHBondContact O-N 3.08Å
286V94.8Very high95.9Very high38 Ų3838.7 Ų38.723%0.2319%0.19CC..  trans-85.1138.7173.2-1720000109.5R282 L284 T288 K291 R292R282-V286 WeakPolarHBondContact O-CG2 3.22Å; L284-V286 PolarHBondContact O-N 3.02Å; V286-T288 PolarHBondContact O-N 3Å; V286-K291 HydrophobicContact CG1-CB 3.79Å; V286-R292 HydrophobicContact CB-CG 3.93Å; V286-R292 PolarHBondContact O-NE 2.91Å; V286-R292 PolarHBondContact O-NH2 3.38Å
287F91.6Very high95.9Very high8 Ų840.1 Ų40.14%0.03520%0.196CC..SBendtrans-56.7-50.1-179.4-179.2-87.1000111.7P186 L190 L231 I234 P237 L245 V253 R292P186-F287 HydrophobicContact CB-CD2 3.84Å; P186-F287 HydrophobicContact CB-CE2 3.6Å; P186-F287 HydrophobicContact CB-CZ 4.14Å; P186-F287 HydrophobicContact CG-CD2 4.06Å; P186-F287 HydrophobicContact CG-CE2 4.31Å; L190-F287 HydrophobicContact CD1-CE2 4.47Å; L190-F287 HydrophobicContact CD1-CZ 3.94Å; L231-F287 HydrophobicContact CD2-CD2 3.96Å; L231-F287 HydrophobicContact CD2-CE2 3.99Å; I234-F287 HydrophobicContact CD1-CB 3.77Å; I234-F287 HydrophobicContact CD1-CD2 4.22Å; P237-F287 HydrophobicContact CB-CB 4.29Å; P237-F287 HydrophobicContact CB-CD1 3.64Å; P237-F287 HydrophobicContact CB-CD2 4.38Å; P237-F287 HydrophobicContact CB-CE1 4.06Å; P237-F287 HydrophobicContact CB-CG 3.83Å; P237-F287 HydrophobicContact CG-CD1 4.26Å; P237-F287 HydrophobicContact CG-CD2 4.23Å; P237-F287 HydrophobicContact CG-CE1 4.41Å; P237-F287 HydrophobicContact CG-CE2 4.37Å; P237-F287 HydrophobicContact CG-CG 4.18Å; P237-F287 HydrophobicContact CG-CZ 4.48Å; L245-F287 HydrophobicContact CD1-CE1 3.84Å; L245-F287 HydrophobicContact CD1-CZ 3.79Å; L245-F287 HydrophobicContact CD2-CE1 4.09Å; L245-F287 HydrophobicContact CD2-CZ 4.36Å; L245-F287 HydrophobicContact CG-CE1 4.2Å; V253-F287 HydrophobicContact CG2-CZ 4.28Å; F287-R292 PolarHBondContact O-NH2 2.9Å
288T89.8Confident95.9Very high7 Ų740.1 Ų40.14%0.04320%0.196CC..SBendtrans-82.3125.8-176.4-54.30000110.7D241 V286 D290 K291D241-T288 VanDerWaalsContact CB-OG1 3.31Å; D241-T288 WeakPolarHBondContact CB-OG1 3.48Å; D241-T288 WeakPolarHBondContact OD1-CB 3.36Å; D241-T288 PolarHBondContact OD1-OG1 2.94Å; V286-T288 PolarHBondContact O-N 3Å; T288-D290 WeakPolarHBondContact CG2-OD1 3.29Å; T288-D290 VanDerWaalsContact CG2-OD2 3.26Å; T288-D290 WeakPolarHBondContact CG2-OD2 3.47Å; T288-D290 PolarHBondContact O-N 3Å; T288-K291 HydrophobicContact CG2-CD 4.16Å; T288-K291 HydrophobicContact CG2-CG 4.05Å; T288-K291 PolarHBondContact O-N 3.26Å; T288-K291 VanDerWaalsContact O-N 3.16Å
289P90.3Very high96Very high16 Ų1638.8 Ų38.810%0.10419%0.189CC..G310 helixtrans-65.9-40-169.723.8-32.9000113.9E187 T196 K291 R292E187-P289 HydrophobicContact CG-CG 4.5Å; T196-P289 WeakPolarHBondContact OG1-CB 3.48Å; P289-K291 PolarHBondContact O-N 3.12Å; P289-R292 WeakPolarHBondContact O-CB 3.44Å; P289-R292 PolarHBondContact O-N 2.84Å
290D89.3Confident95.9Very high107 Ų10741.3 Ų41.357%0.57220%0.199SC*.G310 helixtrans-68.5-10.2176.643.7-80000114.2T288T288-D290 WeakPolarHBondContact CG2-OD1 3.29Å; T288-D290 VanDerWaalsContact CG2-OD2 3.26Å; T288-D290 WeakPolarHBondContact CG2-OD2 3.47Å; T288-D290 PolarHBondContact O-N 3Å
291K93.3Very high95.9Very high102 Ų10241.7 Ų41.744%0.44320%0.201SC..G310 helixtrans-100.30.5174.3-61.2-176.7-179.6173.20113.6D241 V286 T288 P289D241-K291 WeakPolarHBondContact OD1-CE 3.44Å; D241-K291 IonicContact OD1-NZ 2.71Å; D241-K291 PolarHBondContact OD1-NZ 3.11Å; D241-K291 IonicContact OD2-NZ 3.65Å; V286-K291 HydrophobicContact CG1-CB 3.79Å; T288-K291 HydrophobicContact CG2-CD 4.16Å; T288-K291 HydrophobicContact CG2-CG 4.05Å; T288-K291 PolarHBondContact O-N 3.26Å; T288-K291 VanDerWaalsContact O-N 3.16Å; P289-K291 PolarHBondContact O-N 3.12Å
292R96.8Very high95.9Very high15 Ų1545.6 Ų45.66%0.05723%0.226CC..SBendtrans-80.1151.3173.6-59.2176.3-168.8139.115.6110E187 G198 M201 L284 V286 F287 P289 S294E187-R292 IonicContact OE1-CZ 3.9Å; E187-R292 IonicContact OE1-NH1 3.13Å; E187-R292 PolarHBondContact OE1-NH1 3.07Å; E187-R292 IonicContact OE1-NH2 3.55Å; E187-R292 IonicContact OE2-CZ 3.23Å; E187-R292 IonicContact OE2-NH1 2.65Å; E187-R292 PolarHBondContact OE2-NH1 2.81Å; E187-R292 IonicContact OE2-NH2 3.73Å; E187-R292 PolarHBondContact OE2-NH2 2.71Å; G198-R292 VanDerWaalsContact C-NH1 3.27Å; G198-R292 WeakPolarHBondContact O-CD 3.44Å; G198-R292 PolarHBondContact O-NH1 2.58Å; M201-R292 HydrophobicContact CB-CB 4.42Å; L284-R292 WeakPolarHBondContact O-CD 3.5Å; L284-R292 WeakPolarHBondContact O-CG 3.47Å; V286-R292 HydrophobicContact CB-CG 3.93Å; V286-R292 PolarHBondContact O-NE 2.91Å; V286-R292 PolarHBondContact O-NH2 3.38Å; F287-R292 PolarHBondContact O-NH2 2.9Å; P289-R292 WeakPolarHBondContact O-CB 3.44Å; P289-R292 PolarHBondContact O-N 2.84Å; R292-S294 PolarHBondContact O-N 2.96Å
293L97.9Very high96Very high18 Ų1840 Ų409%0.09421%0.205CC..PPolyproline II helixtrans-58.6132.9166.7-70.5169.1000110.3M201 L280 R283 L284 Q297 A298M201-L293 WeakPolarHBondContact CE-O 3.44Å; M201-L293 WeakPolarHBondContact CG-O 3.39Å; L280-L293 HydrophobicContact CD1-CD1 3.77Å; R283-L293 HydrophobicContact CB-CD1 3.54Å; R283-L293 HydrophobicContact CB-CG 3.86Å; R283-L293 PolarHBondContact O-N 3.21Å; L284-L293 HydrophobicContact CD2-CB 4.31Å; L293-Q297 HydrophobicContact CD2-CB 3.84Å; L293-A298 HydrophobicContact CB-CB 4.34Å
294S98.3Very high95.9Very high47 Ų4734.7 Ų34.733%0.32919%0.185SC..PPolyproline II helixtrans-70.8159.3164.664.80000111.1R292 T296 Q297 A298R292-S294 PolarHBondContact O-N 2.96Å; S294-T296 PolarHBondContact O-N 2.82Å; S294-Q297 PolarHBondContact O-N 3.23Å; S294-Q297 VanDerWaalsContact O-N 3.08Å; S294-Q297 VanDerWaalsContact OG-CD 3.3Å; S294-Q297 WeakPolarHBondContact OG-CG 3.29Å; S294-Q297 PolarHBondContact OG-N 2.98Å; S294-Q297 PolarHBondContact OG-OE1 3.41Å; S294-A298 WeakPolarHBondContact O-CB 3.31Å; S294-A298 PolarHBondContact O-N 3.18Å
295A97.8Very high95.7Very high1 Ų139.3 Ų39.31%0.00821%0.206CC..Hα-helixtrans-55.1-39.1177.100000112.5L122 T125 R126 M201 Q297 A298 L299L122-A295 HydrophobicContact CD2-CB 4.5Å; T125-A295 HydrophobicContact CG2-CB 4.11Å; R126-A295 HydrophobicContact CB-CB 3.95Å; M201-A295 HydrophobicContact CE-CB 4.16Å; M201-A295 HydrophobicContact SD-CB 3.9Å; M201-A295 PolarHBondContact SD-N 3.12Å; A295-Q297 PolarHBondContact O-N 3.06Å; A295-A298 PolarHBondContact O-N 2.94Å; A295-L299 VanDerWaalsContact O-CG 3.31Å; A295-L299 WeakPolarHBondContact O-CG 3.42Å; A295-L299 PolarHBondContact O-N 3.46Å
296T96.9Very high95.5Very high64 Ų6446.5 Ų46.539%0.39323%0.233SC..Hα-helixtrans-62.1-42176.3-54.20000112.8S294S294-T296 PolarHBondContact O-N 2.82Å
297Q97.9Very high95.3Very high100 Ų10045.9 Ų45.947%0.46723%0.228SC..Hα-helixtrans-74.2-33.4177.2-66.7159.9-50.700112L293 S294 A295 Q300L293-Q297 HydrophobicContact CD2-CB 3.84Å; S294-Q297 PolarHBondContact O-N 3.23Å; S294-Q297 VanDerWaalsContact O-N 3.08Å; S294-Q297 VanDerWaalsContact OG-CD 3.3Å; S294-Q297 WeakPolarHBondContact OG-CG 3.29Å; S294-Q297 PolarHBondContact OG-N 2.98Å; S294-Q297 PolarHBondContact OG-OE1 3.41Å; A295-Q297 PolarHBondContact O-N 3.06Å; Q297-Q300 PolarHBondContact O-N 3.01Å
298A98.2Very high95.2Very high0 Ų047.7 Ų47.70%024%0.236CC..Hα-helixtrans-72.1-27.6178.100000113.1L122 M201 L280 L293 S294 A295 Q300 H301 V304L122-A298 HydrophobicContact CD1-CB 4.01Å; L122-A298 HydrophobicContact CD2-CB 3.6Å; L122-A298 HydrophobicContact CG-CB 4.48Å; M201-A298 HydrophobicContact CE-CB 4.32Å; L280-A298 HydrophobicContact CD1-CB 4.17Å; L293-A298 HydrophobicContact CB-CB 4.34Å; S294-A298 WeakPolarHBondContact O-CB 3.31Å; S294-A298 PolarHBondContact O-N 3.18Å; A295-A298 PolarHBondContact O-N 2.94Å; A298-Q300 VanDerWaalsContact C-N 3.3Å; A298-H301 WeakPolarHBondContact O-CB 3.27Å; A298-H301 PolarHBondContact O-N 2.84Å; A298-V304 VanDerWaalsContact O-CG2 3.3Å; A298-V304 WeakPolarHBondContact O-CG2 3.35Å
299L97.6Very high95.3Very high0 Ų049 Ų490%025%0.245CC..Hα-helixtrans-66.4-31.2170-76.5163000112.9Y119 L122 Q123 R126 A295 H301 V304 H308 E313Y119-L299 HydrophobicContact CD2-CD2 3.59Å; Y119-L299 HydrophobicContact CE2-CD2 3.43Å; Y119-L299 VanDerWaalsContact CE2-CD2 3.43Å; L122-L299 HydrophobicContact CB-CD2 3.55Å; L122-L299 HydrophobicContact CB-CG 3.84Å; L122-L299 HydrophobicContact CD1-CD2 4.46Å; Q123-L299 HydrophobicContact CG-CD2 4.09Å; R126-L299 HydrophobicContact CB-CD1 3.91Å; R126-L299 HydrophobicContact CG-CD1 4.26Å; A295-L299 VanDerWaalsContact O-CG 3.31Å; A295-L299 WeakPolarHBondContact O-CG 3.42Å; A295-L299 PolarHBondContact O-N 3.46Å; L299-H301 PolarHBondContact O-N 2.59Å; L299-V304 WeakPolarHBondContact O-CG2 3.36Å; L299-H308 PolarHBondContact O-ND1 3.43Å; L299-E313 WeakPolarHBondContact CB-OE1 3.35Å; L299-E313 HydrophobicContact CD1-CG 4.3Å
300Q97.1Very high95.1Very high114 Ų11452.2 Ų52.253%0.53327%0.266SS..THydrogen-bonded Turntrans-84.212.4175.3-63.1173.5-13.800112.7Q297 A298Q297-Q300 PolarHBondContact O-N 3.01Å; A298-Q300 VanDerWaalsContact C-N 3.3Å
301H98.4Very high94.8Very high8 Ų851.4 Ų51.44%0.03727%0.269CS..SBendtrans-83.5137.6-174.9-157.7-97.7000112.1E276 D279 L280 R283 A298 L299 Y303 V304 Q305E276-H301 PolarHBondContact O-CE1 3.1Å; D279-H301 IonicContact OD2-CE1 3.16Å; D279-H301 IonicContact OD2-NE2 2.72Å; D279-H301 PolarHBondContact OD2-NE2 2.76Å; L280-H301 HydrophobicContact CD1-CB 4.14Å; L280-H301 HydrophobicContact CD2-CB 4.48Å; R283-H301 PolarHBondContact NH1-NE2 2.95Å; A298-H301 WeakPolarHBondContact O-CB 3.27Å; A298-H301 PolarHBondContact O-N 2.84Å; L299-H301 PolarHBondContact O-N 2.59Å; H301-Y303 PolarHBondContact O-N 3.15Å; H301-V304 HydrophobicContact CB-CG2 4.38Å; H301-V304 WeakPolarHBondContact O-CG2 3.37Å; H301-V304 PolarHBondContact O-N 2.7Å; H301-Q305 PolarHBondContact O-N 3.02Å
302P97.9Very high94.2Very high81 Ų8150 Ų5053%0.52627%0.266SS..THydrogen-bonded Turntrans-48.8-30.5177.9-32.537.1000115.3E276 V304E276-P302 HydrophobicContact CB-CB 4.43Å; E276-P302 HydrophobicContact CG-CB 4.18Å; P302-V304 PolarHBondContact O-N 2.99Å
303Y97.9Very high93.9Very high0 Ų049.6 Ų49.60%027%0.265CS..THydrogen-bonded Turntrans-61-41.1176.3-173.1-116.8000113.4D111 V114 R115 L208 E276 A277 L280 H301D111-Y303 WeakPolarHBondContact OD1-CE2 3.47Å; D111-Y303 PolarHBondContact OD1-OH 3.41Å; V114-Y303 WeakPolarHBondContact CG1-OH 3.31Å; R115-Y303 HydrophobicContact CB-CE1 4.45Å; R115-Y303 VanDerWaalsContact CD-O 3.23Å; R115-Y303 WeakPolarHBondContact CD-O 3.37Å; R115-Y303 HydrophobicContact CG-CD1 4.14Å; R115-Y303 HydrophobicContact CG-CD2 4.12Å; R115-Y303 HydrophobicContact CG-CE1 3.65Å; R115-Y303 HydrophobicContact CG-CE2 3.58Å; R115-Y303 HydrophobicContact CG-CG 4.37Å; R115-Y303 WeakPolarHBondContact CG-O 3.4Å; R115-Y303 WeakPolarHBondContact CG-OH 3.26Å; R115-Y303 VanDerWaalsContact CZ-CD2 3.47Å; R115-Y303 VanDerWaalsContact NH1-CD2 3.32Å; R115-Y303 PolarHBondContact NH1-O 3.1Å; L208-Y303 HydrophobicContact CD1-CE1 3.88Å; E276-Y303 HydrophobicContact CB-CD2 4.24Å; A277-Y303 HydrophobicContact CB-CD2 3.66Å; A277-Y303 HydrophobicContact CB-CE1 4.49Å; A277-Y303 HydrophobicContact CB-CE2 3.39Å; A277-Y303 HydrophobicContact CB-CG 4.36Å; L280-Y303 HydrophobicContact CD2-CD1 3.71Å; L280-Y303 HydrophobicContact CD2-CG 4.23Å; H301-Y303 PolarHBondContact O-N 3.15Å
304V96.2Very high93.5Very high0 Ų054.6 Ų54.60%028%0.283CS..THydrogen-bonded Turntrans-102.8-5-178.2-64.30000113.7F118 Y119 L122 A298 L299 H301 P302 R306 F307F118-V304 HydrophobicContact CD1-CG1 4.37Å; Y119-V304 HydrophobicContact CD2-CB 4.16Å; Y119-V304 HydrophobicContact CD2-CG2 4.33Å; L122-V304 HydrophobicContact CD1-CG1 4.48Å; L122-V304 HydrophobicContact CD1-CG2 4.49Å; A298-V304 VanDerWaalsContact O-CG2 3.3Å; A298-V304 WeakPolarHBondContact O-CG2 3.35Å; L299-V304 WeakPolarHBondContact O-CG2 3.36Å; H301-V304 HydrophobicContact CB-CG2 4.38Å; H301-V304 WeakPolarHBondContact O-CG2 3.37Å; H301-V304 PolarHBondContact O-N 2.7Å; P302-V304 PolarHBondContact O-N 2.99Å; V304-R306 PolarHBondContact O-N 3.49Å; V304-F307 PolarHBondContact O-N 3.07Å
305Q94.3Very high93Very high97 Ų9755 Ų5545%0.45329%0.289SS..G310 helixtrans-46-33.4-174.7-174.463.558.300115.4H301 F307 H308H301-Q305 PolarHBondContact O-N 3.02Å; Q305-F307 PolarHBondContact O-N 2.74Å; Q305-H308 PolarHBondContact O-N 2.68Å
306R93.4Very high92.6Very high153 Ų15357.2 Ų57.258%0.57730%0.297SS*.G310 helixtrans-60.6-25.3176.6-179.6174.1177-162.1-4.4113.9V304V304-R306 PolarHBondContact O-N 3.49Å
307F91.6Very high91.8Very high25 Ų2564.4 Ų64.411%0.1132%0.323CS..G310 helixtrans-105.4-9.9-178.9-57.3-83.5000112.8V112 R115 Y119 V304 Q305 C309V112-F307 HydrophobicContact CG2-CZ 4.07Å; R115-F307 HydrophobicContact CB-CD2 4.21Å; R115-F307 HydrophobicContact CB-CE2 3.61Å; Y119-F307 HydrophobicContact CD1-CB 3.58Å; Y119-F307 HydrophobicContact CD2-CB 4.08Å; Y119-F307 HydrophobicContact CE1-CB 3.98Å; Y119-F307 VanDerWaalsContact CE1-O 3.25Å; Y119-F307 WeakPolarHBondContact CE1-O 3.48Å; Y119-F307 HydrophobicContact CE2-CB 4.45Å; Y119-F307 HydrophobicContact CG-CB 3.63Å; Y119-F307 PolarHBondContact OH-O 3.37Å; V304-F307 PolarHBondContact O-N 3.07Å; Q305-F307 PolarHBondContact O-N 2.74Å; F307-C309 PolarHBondContact O-N 2.83Å
308H89.3Confident90.9Very high46 Ų4664.3 Ų64.321%0.21333%0.329CS..  trans-62.3114.9-174178.753.4000111.9Y119 L299 Q305 E313Y119-H308 HydrophobicContact CE2-CB 4.44Å; L299-H308 PolarHBondContact O-ND1 3.43Å; Q305-H308 PolarHBondContact O-N 2.68Å; H308-E313 IonicContact CE1-OE1 2.72Å; H308-E313 PolarHBondContact CE1-OE1 3.26Å; H308-E313 VanDerWaalsContact CE1-OE1 3.23Å; H308-E313 IonicContact CE1-OE2 3.86Å; H308-E313 PolarHBondContact CE1-OE2 3.05Å; H308-E313 IonicContact CG-OE1 3.43Å; H308-E313 IonicContact ND1-OE1 3.42Å; H308-E313 PolarHBondContact ND1-OE1 3.3Å; H308-E313 IonicContact ND1-OE2 3.04Å
309C90.2Very high90Very high34 Ų3469.3 Ų69.323%0.2335%0.352CS..  trans-138.791.2-176.7-163.90000110.4Y119 F307 S311 D312 E313Y119-C309 PolarHBondContact OH-N 2.72Å; F307-C309 PolarHBondContact O-N 2.83Å; C309-S311 PolarHBondContact O-N 2.8Å; C309-S311 PolarHBondContact SG-OG 3.42Å; C309-S311 VanDerWaalsContact SG-OG 3.39Å; C309-D312 HydrophobicContact CB-CB 4.35Å; C309-D312 PolarHBondContact O-N 2.74Å; C309-E313 PolarHBondContact O-N 3.14Å
310P86.3Confident89.1Confident84 Ų8469.4 Ų69.455%0.54535%0.353SS..THydrogen-bonded Turntrans-56.5-22.9-171.5-30.836.2000117D312P310-D312 VanDerWaalsContact C-N 3.31Å
311S83.9Confident87.7Confident91 Ų9171 Ų7164%0.63636%0.36SS*.THydrogen-bonded Turntrans-67.4-31.6173.249.40000113C309C309-S311 PolarHBondContact O-N 2.8Å; C309-S311 PolarHBondContact SG-OG 3.42Å; C309-S311 VanDerWaalsContact SG-OG 3.39Å
312D81.3Confident86.2Confident72 Ų7271.3 Ų71.339%0.38536%0.362SS..THydrogen-bonded Turntrans-99.4-3.4-171.4-63.127.7000110.6Q123 C309 P310 W314Q123-D312 PolarHBondContact NE2-O 2.79Å; C309-D312 HydrophobicContact CB-CB 4.35Å; C309-D312 PolarHBondContact O-N 2.74Å; P310-D312 VanDerWaalsContact C-N 3.31Å; D312-W314 PolarHBondContact O-N 3.16Å
313E89.2Confident84.1Confident7 Ų780 Ų803%0.03338%0.384CS..SBendtrans-9072.1177-66.3179.6162.800111.5Y119 Q123 R126 L299 H308 C309Y119-E313 PolarHBondContact OH-OE1 3.2Å; Q123-E313 HydrophobicContact CG-CG 4.33Å; R126-E313 VanDerWaalsContact CZ-CB 3.4Å; R126-E313 IonicContact CZ-OE2 2.83Å; R126-E313 PolarHBondContact NE-O 3.44Å; R126-E313 IonicContact NH1-OE2 3.76Å; R126-E313 PolarHBondContact NH1-OE2 3.16Å; R126-E313 VanDerWaalsContact NH2-CB 3.25Å; R126-E313 PolarHBondContact NH2-O 3.4Å; R126-E313 IonicContact NH2-OE2 3.88Å; R126-E313 PolarHBondContact NH2-OE2 3.45Å; L299-E313 WeakPolarHBondContact CB-OE1 3.35Å; L299-E313 HydrophobicContact CD1-CG 4.3Å; H308-E313 IonicContact CE1-OE1 2.72Å; H308-E313 PolarHBondContact CE1-OE1 3.26Å; H308-E313 VanDerWaalsContact CE1-OE1 3.23Å; H308-E313 IonicContact CE1-OE2 3.86Å; H308-E313 PolarHBondContact CE1-OE2 3.05Å; H308-E313 IonicContact CG-OE1 3.43Å; H308-E313 IonicContact ND1-OE1 3.42Å; H308-E313 PolarHBondContact ND1-OE1 3.3Å; H308-E313 IonicContact ND1-OE2 3.04Å; C309-E313 PolarHBondContact O-N 3.14Å
314W89Confident81.9Confident122 Ų12280.9 Ų80.946%0.46239%0.392SS..  trans-56.3140.1-175.7-6614.5000112.2H70 F127 D312H70-W314 HydrophobicContact CB-CE3 4.33Å; H70-W314 HydrophobicContact CB-CZ3 4.43Å; H70-W314 AromaticContact CD2-CE3 3.74Å; F127-W314 HydrophobicContact CD2-CB 3.99Å; D312-W314 PolarHBondContact O-N 3.16Å
315A89.6Confident79.8Confident56 Ų5682.4 Ų82.446%0.46340%0.4SS..  trans-139.1143177.100000110.1
316R87.9Confident77.4Confident48 Ų4886.5 Ų86.518%0.18142%0.419CS..  trans-81.3134.4178.6-62.8-173.460.21001.7110.2E66 F127 S130 V318E66-R316 PolarHBondContact O-NH1 2.78Å; E66-R316 IonicContact OE1-CZ 3.06Å; E66-R316 IonicContact OE1-NH1 3.43Å; E66-R316 IonicContact OE1-NH2 2.71Å; E66-R316 PolarHBondContact OE1-NH2 3.15Å; F127-R316 HydrophobicContact CD1-CG 4.48Å; F127-R316 HydrophobicContact CD2-CG 3.86Å; F127-R316 HydrophobicContact CE1-CG 4.23Å; F127-R316 HydrophobicContact CE2-CG 3.56Å; F127-R316 HydrophobicContact CG-CG 4.33Å; F127-R316 HydrophobicContact CZ-CG 3.79Å; S130-R316 PolarHBondContact OG-N 3.16Å; R316-V318 VanDerWaalsContact C-N 3.33Å
317K80.3Confident75.4Confident215 Ų21583 Ų8394%0.93543%0.43SS*.SBendtrans-82.4-10.8176.5-62.5-178-179.3179.10113.6
318V79.2Confident73.9Confident98 Ų9886.6 Ų86.659%0.59445%0.454SS*.SBendtrans-140.6140.6-175.3-171.20000108.8R316R316-V318 VanDerWaalsContact C-N 3.33Å
319H80.3Confident72.9Confident105 Ų10588.7 Ų88.749%0.48646%0.464SS..  trans-56.5146.6173.1-53.6-87.7000111.2H132 Q321H132-H319 AromaticContact CD2-CE1 3.74Å; H132-H319 AromaticContact CD2-ND1 3.55Å; H132-H319 AromaticContact CE1-CE1 3.41Å; H132-H319 PolarHBondContact CE1-CE1 3.42Å; H132-H319 VanDerWaalsContact CE1-CE1 3.41Å; H132-H319 AromaticContact CE1-ND1 3.55Å; H132-H319 AromaticContact CG-CE1 3.77Å; H132-H319 AromaticContact CG-ND1 3.19Å; H132-H319 AromaticContact ND1-CE1 3.56Å; H132-H319 AromaticContact ND1-ND1 3.18Å; H132-H319 PolarHBondContact ND1-ND1 3.39Å; H132-H319 VanDerWaalsContact ND1-ND1 3.18Å; H132-H319 AromaticContact NE2-CE1 3.51Å; H132-H319 AromaticContact NE2-ND1 3.76Å; H319-Q321 PolarHBondContact O-N 3.31Å; H319-Q321 VanDerWaalsContact O-N 3.13Å
320V77.6Confident72.4Confident1 Ų187.3 Ų87.31%0.00645%0.454CS..  trans-77.3101.8172174.60000108.4L63 E66 F67 G131 V133 S161 L322L63-V320 HydrophobicContact CD2-CG1 3.77Å; E66-V320 HydrophobicContact CG-CG1 4.12Å; E66-V320 HydrophobicContact CG-CG2 4.32Å; F67-V320 HydrophobicContact CE1-CG2 4.35Å; G131-V320 PolarHBondContact O-N 3.11Å; V133-V320 HydrophobicContact CG2-CB 3.56Å; V133-V320 HydrophobicContact CG2-CG1 3.96Å; V133-V320 HydrophobicContact CG2-CG2 3.7Å; S161-V320 WeakPolarHBondContact CB-O 3.05Å; S161-V320 PolarHBondContact OG-O 3.27Å; V320-L322 HydrophobicContact CG1-CD2 4.22Å; V320-L322 HydrophobicContact CG1-CG 4.36Å
321Q67.7Low72.5Confident147 Ų14785.6 Ų85.669%0.68744%0.444SS*.  trans-101.1106.3166.4-71.8-178.9-38.700108.5H319 R323H319-Q321 PolarHBondContact O-N 3.31Å; H319-Q321 VanDerWaalsContact O-N 3.13Å; Q321-R323 PolarHBondContact O-N 3.28Å; Q321-R323 VanDerWaalsContact O-N 3.08Å
322L67.3Low72.6Confident16 Ų1681.9 Ų81.98%0.08442%0.419CS..  trans-69.5107171.2-67.3-178.3000108.1R59 M62 L63 V320 A324 L325R59-L322 HydrophobicContact CG-CD1 4.02Å; M62-L322 HydrophobicContact CB-CD1 4.5Å; M62-L322 HydrophobicContact CB-CD2 3.76Å; L63-L322 HydrophobicContact CD2-CD1 4.01Å; L63-L322 HydrophobicContact CD2-CD2 4.02Å; L63-L322 HydrophobicContact CD2-CG 4.22Å; L63-L322 HydrophobicContact CG-CD1 4.19Å; V320-L322 HydrophobicContact CG1-CD2 4.22Å; V320-L322 HydrophobicContact CG1-CG 4.36Å; L322-A324 PolarHBondContact O-N 2.79Å; L322-L325 HydrophobicContact CB-CD1 3.86Å; L322-L325 HydrophobicContact CB-CG 4.03Å; L322-L325 HydrophobicContact CD1-CD1 3.69Å; L322-L325 HydrophobicContact CG-CD1 4.38Å; L322-L325 PolarHBondContact O-N 2.85Å; L322-L325 VanDerWaalsContact O-N 3.09Å
323R53.6Low73Confident262 Ų26282 Ų8299%0.98942%0.423SS*.THydrogen-bonded Turntrans-58.916.6-175.5-67.2-177.5171.1-176-2.9116.2Q321Q321-R323 PolarHBondContact O-N 3.28Å; Q321-R323 VanDerWaalsContact O-N 3.08Å
324A51.8Low73Confident20 Ų2086 Ų8617%0.16544%0.442CS..THydrogen-bonded Turntrans-126-4.8-17600000113.5F58 L322 R338F58-A324 HydrophobicContact CE1-CB 3.8Å; F58-A324 HydrophobicContact CZ-CB 3.53Å; L322-A324 PolarHBondContact O-N 2.79Å; A324-R338 PolarHBondContact O-NH1 3.26Å
325L52Low73Confident32 Ų3280.2 Ų80.217%0.16842%0.42CS..  trans-120.616.5-162.6-62.5-172.1000116.6F58 L322 G327F58-L325 HydrophobicContact CE1-CD2 4.42Å; L322-L325 HydrophobicContact CB-CD1 3.86Å; L322-L325 HydrophobicContact CB-CG 4.03Å; L322-L325 HydrophobicContact CD1-CD1 3.69Å; L322-L325 HydrophobicContact CG-CD1 4.38Å; L322-L325 PolarHBondContact O-N 2.85Å; L322-L325 VanDerWaalsContact O-N 3.09Å; L325-G327 PolarHBondContact O-N 3.32Å
326E44.3Very low73.1Confident183 Ų18381.3 Ų81.386%0.85541%0.412SS*.SBendtrans-66.792170.1-72.4-172167.200111V328E326-V328 PolarHBondContact O-N 2.87Å
327G51.9Low73.2Confident78 Ų7882.4 Ų82.480%0.80443%0.427SS*.SBendtrans69.1-33.3171.200000117.4L325 Q329L325-G327 PolarHBondContact O-N 3.32Å; G327-Q329 PolarHBondContact O-N 2.97Å
328V59.4Low73.6Confident101 Ų10176.9 Ų76.961%0.61240%0.401SS*.  trans-84.9104.7-168.6-174.10000111.9E326 L330E326-V328 PolarHBondContact O-N 2.87Å; V328-L330 HydrophobicContact CG1-CD2 4.16Å; V328-L330 PolarHBondContact O-N 3.05Å; V328-L330 VanDerWaalsContact O-N 3.11Å
329Q67.4Low74.1Confident90 Ų9072.2 Ų72.242%0.42137%0.373SS..  trans-76.493.5172.6-60.4-170.93.400112.4K51 D171 G327K51-Q329 VanDerWaalsContact CE-O 3.29Å; K51-Q329 WeakPolarHBondContact CE-O 3.2Å; K51-Q329 PolarHBondContact NZ-O 2.94Å; D171-Q329 PolarHBondContact OD2-NE2 3.04Å; G327-Q329 PolarHBondContact O-N 2.97Å
330L80.5Confident74.6Confident6 Ų668.4 Ų68.43%0.03135%0.354CS..  trans-55.6159.3179.5-47.3179000114.2K51 V328 E334 Y335K51-L330 WeakPolarHBondContact CE-O 3.23Å; K51-L330 WeakPolarHBondContact CG-O 3.38Å; V328-L330 HydrophobicContact CG1-CD2 4.16Å; V328-L330 PolarHBondContact O-N 3.05Å; V328-L330 VanDerWaalsContact O-N 3.11Å; L330-E334 HydrophobicContact CB-CB 3.95Å; L330-E334 HydrophobicContact CD1-CB 4.35Å; L330-Y335 HydrophobicContact CB-CD1 4.32Å; L330-Y335 HydrophobicContact CB-CD2 4.02Å; L330-Y335 HydrophobicContact CB-CE1 4.05Å; L330-Y335 HydrophobicContact CB-CE2 3.75Å; L330-Y335 HydrophobicContact CB-CG 4.28Å; L330-Y335 HydrophobicContact CD1-CD1 3.8Å; L330-Y335 HydrophobicContact CD1-CE1 3.73Å; L330-Y335 HydrophobicContact CD1-CG 4.37Å; L330-Y335 HydrophobicContact CG-CD1 4.48Å; L330-Y335 HydrophobicContact CG-CE1 4.06Å; L330-Y335 WeakPolarHBondContact O-CE2 3.4Å
331S87.4Confident75.2Confident48 Ų4873.7 Ų73.734%0.33638%0.379SS..  trans-76.7162.6166.3700000112.5E334 Y335S331-E334 VanDerWaalsContact CB-OE2 3.22Å; S331-E334 WeakPolarHBondContact CB-OE2 3.45Å; S331-E334 PolarHBondContact N-OE2 3.4Å; S331-E334 PolarHBondContact O-N 3.39Å; S331-E334 VanDerWaalsContact O-N 3.16Å; S331-E334 WeakPolarHBondContact OG-CG 3.44Å; S331-E334 PolarHBondContact OG-OE2 3.38Å; S331-Y335 WeakPolarHBondContact O-CD2 3.19Å; S331-Y335 PolarHBondContact O-N 2.96Å
332A87Confident76.1Confident12 Ų1267.4 Ų67.410%0.09935%0.349CS..Hα-helixtrans-60-39.8178.400000114.2F48 A54 E334 Y335 R336F48-A332 WeakPolarHBondContact O-CB 3.45Å; A54-A332 HydrophobicContact CB-CB 3.71Å; A332-E334 VanDerWaalsContact C-N 3.34Å; A332-E334 PolarHBondContact O-N 3.38Å; A332-Y335 PolarHBondContact O-N 2.86Å; A332-R336 WeakPolarHBondContact O-CB 3.32Å; A332-R336 PolarHBondContact O-N 3.35Å
333P88.7Confident77Confident74 Ų7467.3 Ų67.348%0.48135%0.349SS..Hα-helixtrans-60.4-37.4171.6-26.436.3000114R336 S337P333-R336 WeakPolarHBondContact O-CB 3.46Å; P333-R336 PolarHBondContact O-N 3.04Å; P333-S337 PolarHBondContact O-N 3.13Å; P333-S337 PolarHBondContact O-OG 3.1Å; P333-S337 VanDerWaalsContact O-OG 3.1Å
334E90.3Very high78.6Confident92 Ų9260.8 Ų60.843%0.4333%0.333SS..Hα-helixtrans-71-42.6178.5-71.4167.4105.300112.1L330 S331 A332 R336 S337 R338L330-E334 HydrophobicContact CB-CB 3.95Å; L330-E334 HydrophobicContact CD1-CB 4.35Å; S331-E334 VanDerWaalsContact CB-OE2 3.22Å; S331-E334 WeakPolarHBondContact CB-OE2 3.45Å; S331-E334 PolarHBondContact N-OE2 3.4Å; S331-E334 PolarHBondContact O-N 3.39Å; S331-E334 VanDerWaalsContact O-N 3.16Å; S331-E334 WeakPolarHBondContact OG-CG 3.44Å; S331-E334 PolarHBondContact OG-OE2 3.38Å; A332-E334 VanDerWaalsContact C-N 3.34Å; A332-E334 PolarHBondContact O-N 3.38Å; E334-R336 VanDerWaalsContact C-N 3.3Å; E334-R336 PolarHBondContact O-N 3.03Å; E334-S337 PolarHBondContact O-N 3.29Å; E334-R338 PolarHBondContact O-N 3.1Å
335Y89.8Confident80.2Confident1 Ų164.9 Ų64.90%0.00435%0.349CS..Hα-helixtrans-56.4-46.3170.5-78-58.3000110.8A54 Q55 F58 L330 S331 A332 S337 R338 V339A54-Y335 HydrophobicContact CB-CD2 4.01Å; A54-Y335 HydrophobicContact CB-CG 4.33Å; Q55-Y335 HydrophobicContact CB-CD2 4.26Å; Q55-Y335 HydrophobicContact CB-CE1 4.34Å; Q55-Y335 HydrophobicContact CB-CE2 3.66Å; Q55-Y335 HydrophobicContact CG-CE1 4.13Å; Q55-Y335 HydrophobicContact CG-CE2 4.08Å; Q55-Y335 WeakPolarHBondContact CG-OH 3.12Å; Q55-Y335 PolarHBondContact NE2-OH 2.83Å; Q55-Y335 VanDerWaalsContact NE2-OH 3.07Å; F58-Y335 HydrophobicContact CB-CD1 3.72Å; F58-Y335 HydrophobicContact CB-CE1 4.42Å; F58-Y335 HydrophobicContact CB-CG 4.35Å; F58-Y335 AromaticContact CD1-CD1 3.67Å; F58-Y335 HydrophobicContact CD1-CD1 3.67Å; F58-Y335 AromaticContact CD1-CE1 3.73Å; F58-Y335 HydrophobicContact CD1-CE1 3.73Å; F58-Y335 HydrophobicContact CD2-CD1 4.28Å; F58-Y335 HydrophobicContact CE1-CD1 4.37Å; F58-Y335 HydrophobicContact CE1-CE1 4.27Å; F58-Y335 AromaticContact CG-CD1 3.62Å; F58-Y335 HydrophobicContact CG-CD1 3.62Å; F58-Y335 HydrophobicContact CG-CE1 4.17Å; L330-Y335 HydrophobicContact CB-CD1 4.32Å; L330-Y335 HydrophobicContact CB-CD2 4.02Å; L330-Y335 HydrophobicContact CB-CE1 4.05Å; L330-Y335 HydrophobicContact CB-CE2 3.75Å; L330-Y335 HydrophobicContact CB-CG 4.28Å; L330-Y335 HydrophobicContact CD1-CD1 3.8Å; L330-Y335 HydrophobicContact CD1-CE1 3.73Å; L330-Y335 HydrophobicContact CD1-CG 4.37Å; L330-Y335 HydrophobicContact CG-CD1 4.48Å; L330-Y335 HydrophobicContact CG-CE1 4.06Å; L330-Y335 WeakPolarHBondContact O-CE2 3.4Å; S331-Y335 WeakPolarHBondContact O-CD2 3.19Å; S331-Y335 PolarHBondContact O-N 2.96Å; A332-Y335 PolarHBondContact O-N 2.86Å; Y335-S337 PolarHBondContact O-N 2.95Å; Y335-R338 PolarHBondContact O-N 3.34Å; Y335-V339 WeakPolarHBondContact O-CG2 3.35Å; Y335-V339 PolarHBondContact O-N 3.15Å
336R90.4Very high81.3Confident78 Ų7865.8 Ų65.829%0.29436%0.357SS..Hα-helixtrans-58.5-47.1176-172.2177.764.1171.60112.1F48 D85 A332 P333 E334 R338 V339 Y340F48-R336 HydrophobicContact CB-CB 4.15Å; F48-R336 HydrophobicContact CB-CG 4.35Å; F48-R336 HydrophobicContact CD1-CB 3.52Å; F48-R336 HydrophobicContact CD1-CG 3.97Å; F48-R336 HydrophobicContact CD2-CB 4.16Å; F48-R336 HydrophobicContact CD2-CG 3.67Å; F48-R336 HydrophobicContact CE1-CB 3.9Å; F48-R336 HydrophobicContact CE1-CG 4.16Å; F48-R336 HydrophobicContact CE2-CB 4.49Å; F48-R336 HydrophobicContact CE2-CG 3.88Å; F48-R336 HydrophobicContact CG-CB 3.66Å; F48-R336 HydrophobicContact CG-CG 3.71Å; F48-R336 HydrophobicContact CZ-CB 4.36Å; F48-R336 HydrophobicContact CZ-CG 4.12Å; D85-R336 WeakPolarHBondContact O-CD 3.43Å; D85-R336 PolarHBondContact O-NH1 3.13Å; A332-R336 WeakPolarHBondContact O-CB 3.32Å; A332-R336 PolarHBondContact O-N 3.35Å; P333-R336 WeakPolarHBondContact O-CB 3.46Å; P333-R336 PolarHBondContact O-N 3.04Å; E334-R336 VanDerWaalsContact C-N 3.3Å; E334-R336 PolarHBondContact O-N 3.03Å; R336-R338 PolarHBondContact O-N 3Å; R336-V339 PolarHBondContact O-N 2.7Å; R336-Y340 HydrophobicContact CG-CD1 4.35Å; R336-Y340 HydrophobicContact CG-CD2 4.01Å; R336-Y340 HydrophobicContact CG-CE1 3.89Å; R336-Y340 HydrophobicContact CG-CE2 3.51Å; R336-Y340 HydrophobicContact CG-CG 4.41Å; R336-Y340 VanDerWaalsContact CG-CZ 3.43Å; R336-Y340 WeakPolarHBondContact O-CB 3.36Å; R336-Y340 WeakPolarHBondContact O-CD1 3.31Å; R336-Y340 VanDerWaalsContact O-CG 3.29Å; R336-Y340 PolarHBondContact O-N 3.23Å
337S90.6Very high82.7Confident71 Ų7162 Ų6250%0.49734%0.338SS..Hα-helixtrans-60.8-42.9177.7-670000112.3P333 E334 Y335 Y340 Q341P333-S337 PolarHBondContact O-N 3.13Å; P333-S337 PolarHBondContact O-OG 3.1Å; P333-S337 VanDerWaalsContact O-OG 3.1Å; E334-S337 PolarHBondContact O-N 3.29Å; Y335-S337 PolarHBondContact O-N 2.95Å; S337-Y340 PolarHBondContact O-N 3.23Å; S337-Q341 WeakPolarHBondContact O-CB 3.26Å; S337-Q341 PolarHBondContact O-N 3.04Å
338R89.1Confident83.1Confident100 Ų10060.4 Ų60.438%0.37732%0.321SS..Hα-helixtrans-65-41.7176.1-71.2-170.6-177.2-1793.9112.5F58 A324 E334 Y335 R336 Y340 Q341 M342F58-R338 HydrophobicContact CD2-CB 4.49Å; F58-R338 HydrophobicContact CE2-CB 3.95Å; A324-R338 PolarHBondContact O-NH1 3.26Å; E334-R338 PolarHBondContact O-N 3.1Å; Y335-R338 PolarHBondContact O-N 3.34Å; R336-R338 PolarHBondContact O-N 3Å; R338-Y340 VanDerWaalsContact C-N 3.33Å; R338-Y340 PolarHBondContact O-N 3.49Å; R338-Q341 PolarHBondContact O-N 3.26Å; R338-M342 WeakPolarHBondContact O-CB 3.47Å; R338-M342 PolarHBondContact O-N 2.58Å
339V89.9Confident83.1Confident0 Ų059.2 Ų59.20%032%0.317CS..Hα-helixtrans-60.5-43.7172.5177.40000110.8F48 F58 I61 V79 I88 Y335 R336 M342 I343F48-V339 HydrophobicContact CE1-CG2 4.22Å; F48-V339 HydrophobicContact CZ-CB 4.39Å; F48-V339 HydrophobicContact CZ-CG1 4.46Å; F48-V339 HydrophobicContact CZ-CG2 4.4Å; F58-V339 HydrophobicContact CB-CG2 4.27Å; F58-V339 HydrophobicContact CD2-CG2 3.77Å; I61-V339 HydrophobicContact CD1-CG1 3.79Å; I61-V339 HydrophobicContact CD1-CG2 4.15Å; V79-V339 HydrophobicContact CG1-CG1 4.33Å; I88-V339 HydrophobicContact CD1-CG1 3.53Å; Y335-V339 WeakPolarHBondContact O-CG2 3.35Å; Y335-V339 PolarHBondContact O-N 3.15Å; R336-V339 PolarHBondContact O-N 2.7Å; V339-M342 PolarHBondContact O-N 3.4Å; V339-I343 HydrophobicContact CG1-CD1 4.12Å; V339-I343 VanDerWaalsContact O-CG1 3.3Å; V339-I343 WeakPolarHBondContact O-CG1 2.99Å; V339-I343 PolarHBondContact O-N 3.01Å
340Y90.3Very high82.4Confident25 Ų2560.7 Ų60.710%0.09833%0.328CS..Hα-helixtrans-70.9-33.5-178.1-68.10.7000112.8F48 R81 R336 S337 R338 I343 L344F48-Y340 AromaticContact CE2-CE1 4Å; F48-Y340 HydrophobicContact CE2-CE1 4Å; F48-Y340 HydrophobicContact CZ-CE1 4.25Å; R81-Y340 HydrophobicContact CB-CD1 4.27Å; R81-Y340 HydrophobicContact CB-CE1 3.93Å; R81-Y340 VanDerWaalsContact CD-CE2 3.46Å; R81-Y340 HydrophobicContact CG-CD1 4.44Å; R81-Y340 HydrophobicContact CG-CE1 3.88Å; R81-Y340 HydrophobicContact CG-CE2 3.95Å; R336-Y340 HydrophobicContact CG-CD1 4.35Å; R336-Y340 HydrophobicContact CG-CD2 4.01Å; R336-Y340 HydrophobicContact CG-CE1 3.89Å; R336-Y340 HydrophobicContact CG-CE2 3.51Å; R336-Y340 HydrophobicContact CG-CG 4.41Å; R336-Y340 VanDerWaalsContact CG-CZ 3.43Å; R336-Y340 WeakPolarHBondContact O-CB 3.36Å; R336-Y340 WeakPolarHBondContact O-CD1 3.31Å; R336-Y340 VanDerWaalsContact O-CG 3.29Å; R336-Y340 PolarHBondContact O-N 3.23Å; S337-Y340 PolarHBondContact O-N 3.23Å; R338-Y340 VanDerWaalsContact C-N 3.33Å; R338-Y340 PolarHBondContact O-N 3.49Å; Y340-I343 HydrophobicContact CD1-CD1 3.93Å; Y340-I343 PolarHBondContact O-N 3.01Å; Y340-L344 WeakPolarHBondContact O-CG 3.3Å; Y340-L344 PolarHBondContact O-N 3.19Å
341Q89.3Confident80.4Confident111 Ų11162 Ų6252%0.51934%0.342SS..Hα-helixtrans-63.8-49.7171.3-178.9-178.2-25.900111S337 R338 I343 L344 E345S337-Q341 WeakPolarHBondContact O-CB 3.26Å; S337-Q341 PolarHBondContact O-N 3.04Å; R338-Q341 PolarHBondContact O-N 3.26Å; Q341-I343 VanDerWaalsContact C-N 3.28Å; Q341-I343 PolarHBondContact O-N 3.3Å; Q341-L344 WeakPolarHBondContact O-CA 3.47Å; Q341-L344 WeakPolarHBondContact O-CB 3.46Å; Q341-L344 PolarHBondContact O-N 2.72Å; Q341-E345 HydrophobicContact CG-CG 4.49Å; Q341-E345 WeakPolarHBondContact CG-OE1 3.34Å; Q341-E345 PolarHBondContact NE2-OE1 3.43Å; Q341-E345 PolarHBondContact O-N 3.37Å
342M86.9Confident78Confident15 Ų1564.1 Ų64.17%0.07435%0.354CS..Hα-helixtrans-56.2-39.6175.1174.3-132.675.800112.2I61 M62 Q65 V79 R338 V339 L344 E345 C346I61-M342 HydrophobicContact CG2-CE 3.99Å; I61-M342 HydrophobicContact CG2-SD 3.53Å; I61-M342 VanDerWaalsContact CG2-SD 3.53Å; M62-M342 HydrophobicContact CE-CB 4.42Å; M62-M342 HydrophobicContact CE-CG 3.83Å; M62-M342 HydrophobicContact CE-SD 3.29Å; M62-M342 WeakPolarHBondContact CE-SD 3.37Å; Q65-M342 VanDerWaalsContact CD-SD 3.55Å; Q65-M342 PolarHBondContact NE2-SD 2.84Å; Q65-M342 VanDerWaalsContact NE2-SD 3.35Å; Q65-M342 PolarHBondContact OE1-SD 2.92Å; V79-M342 HydrophobicContact CB-CE 4.04Å; V79-M342 HydrophobicContact CG1-CE 4.07Å; V79-M342 HydrophobicContact CG2-CE 4.15Å; R338-M342 WeakPolarHBondContact O-CB 3.47Å; R338-M342 PolarHBondContact O-N 2.58Å; V339-M342 PolarHBondContact O-N 3.4Å; M342-L344 PolarHBondContact O-N 3.35Å; M342-E345 PolarHBondContact O-N 2.87Å; M342-C346 PolarHBondContact O-N 2.63Å; M342-C346 PolarHBondContact O-SG 3.14Å
343I86.8Confident75.5Confident14 Ų1468.7 Ų68.77%0.07239%0.385CS..Hα-helixtrans-58.6-35.5173.9-70.4161.9000111.9V79 R81 V339 Y340 Q341 K347V79-I343 HydrophobicContact CB-CG1 4.03Å; V79-I343 HydrophobicContact CG1-CD1 3.89Å; V79-I343 HydrophobicContact CG1-CG1 3.8Å; V79-I343 WeakPolarHBondContact O-CG1 3.42Å; R81-I343 HydrophobicContact CB-CD1 4.29Å; V339-I343 HydrophobicContact CG1-CD1 4.12Å; V339-I343 VanDerWaalsContact O-CG1 3.3Å; V339-I343 WeakPolarHBondContact O-CG1 2.99Å; V339-I343 PolarHBondContact O-N 3.01Å; Y340-I343 HydrophobicContact CD1-CD1 3.93Å; Y340-I343 PolarHBondContact O-N 3.01Å; Q341-I343 VanDerWaalsContact C-N 3.28Å; Q341-I343 PolarHBondContact O-N 3.3Å; I343-K347 HydrophobicContact CG2-CD 4.13Å; I343-K347 VanDerWaalsContact O-CD 3.26Å; I343-K347 WeakPolarHBondContact O-CD 3.39Å; I343-K347 VanDerWaalsContact O-CG 3.28Å; I343-K347 WeakPolarHBondContact O-CG 3.26Å
344L86.3Confident73.1Confident126 Ų12675.2 Ų75.266%0.6640%0.4SS*.Hα-helixtrans-76.9-43.4179-64.3169000111.3Y340 Q341 M342 K347 G348Y340-L344 WeakPolarHBondContact O-CG 3.3Å; Y340-L344 PolarHBondContact O-N 3.19Å; Q341-L344 WeakPolarHBondContact O-CA 3.47Å; Q341-L344 WeakPolarHBondContact O-CB 3.46Å; Q341-L344 PolarHBondContact O-N 2.72Å; M342-L344 PolarHBondContact O-N 3.35Å; L344-K347 PolarHBondContact O-N 3.11Å; L344-G348 PolarHBondContact O-N 3.13Å
345E85Confident70.4Confident106 Ų10678.7 Ų78.750%0.49542%0.416SS..Hα-helixtrans-58.9-49.8178-69.8167.8175.500111.4Q341 M342 K347 G348 S349Q341-E345 HydrophobicContact CG-CG 4.49Å; Q341-E345 WeakPolarHBondContact CG-OE1 3.34Å; Q341-E345 PolarHBondContact NE2-OE1 3.43Å; Q341-E345 PolarHBondContact O-N 3.37Å; M342-E345 PolarHBondContact O-N 2.87Å; E345-K347 PolarHBondContact O-N 2.85Å; E345-K347 VanDerWaalsContact O-N 3.13Å; E345-G348 PolarHBondContact O-N 2.83Å; E345-G348 VanDerWaalsContact O-N 3.13Å; E345-S349 PolarHBondContact O-N 2.73Å; E345-S349 PolarHBondContact O-OG 3.49Å
346C76.7Confident67.7Low50 Ų5088 Ų8834%0.33846%0.457SS..Hα-helixtrans-60.8-22.8175.4-64.10000113.6M342 N350M342-C346 PolarHBondContact O-N 2.63Å; M342-C346 PolarHBondContact O-SG 3.14Å; C346-N350 PolarHBondContact O-ND2 3.37Å
347K73.1Confident64.9Low104 Ų10487.6 Ų87.645%0.45248%0.477SS..Hα-helixtrans-86.7-33.4176.7-74.6170.1-172.5166.90112.3I343 L344 E345 G351I343-K347 HydrophobicContact CG2-CD 4.13Å; I343-K347 VanDerWaalsContact O-CD 3.26Å; I343-K347 WeakPolarHBondContact O-CD 3.39Å; I343-K347 VanDerWaalsContact O-CG 3.28Å; I343-K347 WeakPolarHBondContact O-CG 3.26Å; L344-K347 PolarHBondContact O-N 3.11Å; E345-K347 PolarHBondContact O-N 2.85Å; E345-K347 VanDerWaalsContact O-N 3.13Å; K347-G351 PolarHBondContact O-N 2.73Å
348G60.7Low62.4Low44 Ų4492.1 Ų92.145%0.45449%0.494SS..Hα-helixtrans-60.3-54.2172.200000112.1L344 E345 N350 G351 T352L344-G348 PolarHBondContact O-N 3.13Å; E345-G348 PolarHBondContact O-N 2.83Å; E345-G348 VanDerWaalsContact O-N 3.13Å; G348-N350 VanDerWaalsContact C-N 3.29Å; G348-N350 PolarHBondContact O-N 2.7Å; G348-G351 PolarHBondContact O-N 3.28Å; G348-T352 PolarHBondContact O-N 3.19Å; G348-T352 PolarHBondContact O-OG1 2.73Å
349S58.5Low59.5Low76 Ų7697 Ų9753%0.53152%0.522SS..Hα-helixtrans-59.7-36.9-178.5-53.90000113.4E345 G351 S353E345-S349 PolarHBondContact O-N 2.73Å; E345-S349 PolarHBondContact O-OG 3.49Å; S349-G351 PolarHBondContact O-N 2.83Å; S349-S353 PolarHBondContact O-N 3.26Å; S349-S353 PolarHBondContact O-OG 3.26Å; S349-S353 VanDerWaalsContact O-OG 3.13Å
350N52.2Low56.7Low122 Ų122100.5 Ų100.565%0.65256%0.558SS**Hα-helixtrans-72-13.1177.3-85.7-61.2000114.2C346 G348C346-N350 PolarHBondContact O-ND2 3.37Å; G348-N350 VanDerWaalsContact C-N 3.29Å; G348-N350 PolarHBondContact O-N 2.7Å
351G39.5Very low53.7Low32 Ų32106.3 Ų106.333%0.3360%0.595SS.*Hα-helixtrans-82.3-57.116900000111.7K347 G348 S349 S353 R354K347-G351 PolarHBondContact O-N 2.73Å; G348-G351 PolarHBondContact O-N 3.28Å; S349-G351 PolarHBondContact O-N 2.83Å; G351-S353 VanDerWaalsContact C-N 3.28Å; G351-S353 PolarHBondContact O-N 2.7Å; G351-R354 PolarHBondContact O-N 2.98Å
352T36.7Very low50.7Low94 Ų94106.3 Ų106.358%0.57761%0.608SS**Hα-helixtrans-61.6-31.7-174.918.70000114G348 R354G348-T352 PolarHBondContact O-N 3.19Å; G348-T352 PolarHBondContact O-OG1 2.73Å; T352-R354 PolarHBondContact O-N 3.16Å
353S34.8Very low48.1Very low107 Ų107111.5 Ų111.575%0.74864%0.642SS**Hα-helixtrans-69.7-7.3174.7-62.80000114.6S349 G351S349-S353 PolarHBondContact O-N 3.26Å; S349-S353 PolarHBondContact O-OG 3.26Å; S349-S353 VanDerWaalsContact O-OG 3.13Å; G351-S353 VanDerWaalsContact C-N 3.28Å; G351-S353 PolarHBondContact O-N 2.7Å
354R37.8Very low45.3Very low211 Ų211116.6 Ų116.680%0.79668%0.679SS**Hα-helixtrans-116-15.8-172.4-133.1175.7175.2145.50.8115.1G351 T352G351-R354 PolarHBondContact O-N 2.98Å; T352-R354 PolarHBondContact O-N 3.16Å
355E34.4Very low42.5Very low166 Ų166120 Ų12078%0.77669%0.692SS**Hα-helixtrans-101-19.8180-66.5179.7150.900113.2G357E355-G357 VanDerWaalsContact C-N 3.32Å; E355-G357 PolarHBondContact O-N 3.41Å; E355-G357 VanDerWaalsContact O-N 3.08Å
356K31.9Very low39.9Very low197 Ų197119.3 Ų119.386%0.85770%0.704SS**THydrogen-bonded Turntrans-85.668.8172.7-71.9-166.9172.9-172.50112.4
357G33Very low37.6Very low69 Ų69126.4 Ų126.471%0.71173%0.732SS**THydrogen-bonded Turntrans-16212.4178.700000116.4E355E355-G357 VanDerWaalsContact C-N 3.32Å; E355-G357 PolarHBondContact O-N 3.41Å; E355-G357 VanDerWaalsContact O-N 3.08Å
358L38Very low35.4Very low165 Ų165128.8 Ų128.886%0.86475%0.749SS**  trans-141.550.7-172.2-92.9170.2000113.5
359E28.6Very low33.9Very low204 Ų204135.9 Ų135.995%0.95377%0.77SS**  trans-165117.5163.6-114.3167-14300109.2
360G29.7Very low32.4Very low73 Ų73141.5 Ų141.575%0.75379%0.785SS**  cis-167.8155.8-1100000111.6
361V28.3Very low31.6Very low146 Ų146141.6 Ų141.689%0.88579%0.792SS**  trans-139125.2169.7-177.90000108.3
362S26.7Very low30.9Very low112 Ų112151.7 Ų151.778%0.78382%0.82SS**  trans-75.1155.8-179.3-67.40000112.5
363P32.2Very low30.4Very low124 Ų124151.4 Ų151.481%0.80583%0.827SS**  trans-89.4146.8-156.333.9-36.6000115.1
364S26.2Very low30.5Very low120 Ų120153.7 Ų153.784%0.83983%0.831SS**  trans-131102.8166.3-71.70000110.8
365Q29.4Very low30.2Very low199 Ų199149.8 Ų149.893%0.9383%0.833SS**  trans45.1117.2160.5-63.4-177.4-12.600119.3
366A28.8Very low29.9Very low91 Ų91150.9 Ų150.975%0.75284%0.838SS**  trans-87.8149.3173.500000112.5
367H28.6Very low29.8Very low199 Ų199149.2 Ų149.292%0.92184%0.837SS**  trans-132.8144.1148.5-93.7-75.5000111.1
368L28.1Very low29.7Very low154 Ų154151.8 Ų151.881%0.80684%0.841SS**  trans-112126.5-164.6173.882.5000110.2
369H27.5Very low29.3Very low193 Ų193150 Ų15089%0.89484%0.843SS**  trans-141.1137.8160.8-92.4-75.3000113.6
370K28.8Very low29.2Very low194 Ų194143.8 Ų143.884%0.84383%0.834SS**  trans-95.7157.3168.4-91.8179.9173.8175.90110.2
371P34.3Very low29.2Very low123 Ų123147 Ų14780%0.79984%0.839SS**  trans-84.1152.5-17434.2-36.6000113.6
372R25.1Very low30Very low245 Ų245145.6 Ų145.693%0.92583%0.833SS**  trans-166144.2156.3-127.6179.8-177.7-175.7-0.6115.5
373A27Very low30.2Very low88 Ų88145.2 Ų145.273%0.72783%0.825SS**  trans72.3148.5144.700000121.4
374D35.4Very low30.1Very low155 Ų155148.4 Ų148.483%0.82983%0.83SS**  trans-79.7166.2176-37.6-103.6000113
375P32.9Very low30.2Very low128 Ų128146 Ų14683%0.83182%0.823SS**  trans-114.3145.8153.323.6-6.3000113.2
376Q27.8Very low30.5Very low190 Ų190142.1 Ų142.189%0.88882%0.816SS**  trans-91.2175.9173.4-73.8-170.5-28.700113.1
377L28.4Very low30.6Very low161 Ų161149.7 Ų149.784%0.84383%0.825SS**  trans-52.1160.2169-86.171.2000114.4
378P32.5Very low31.3Very low123 Ų123146.1 Ų146.180%0.79982%0.819SS**  trans-106.4168.1130.435-31.7000112.5
379S28.6Very low31.6Very low127 Ų127148.2 Ų148.289%0.88882%0.816SS**  trans-113.9155.4-162.351.20000115.4
380G26.9Very low31.8Very low75 Ų75145 Ų14577%0.77381%0.813SS**  trans-173.1128.8169.500000114.3
381T29.8Very low31.9Very low140 Ų140143.5 Ų143.586%0.85981%0.809SS**  trans-156.5168.7176.425.40000107.9
382P44.9Very low31.6Very low116 Ų116143.1 Ų143.175%0.75381%0.809SS**  cis-115.3-167.212.924.40.8000112.5
383V29.9Very low31.9Very low104 Ų104136.8 Ų136.863%0.6380%0.802SS**  -170142.256.4167.70000111.9
384Q30.9Very low32.6Very low192 Ų192138 Ų13890%0.89780%0.803SS**  trans62.1158160.7-71.1160.21400121.6
385G27.6Very low32.3Very low68 Ų68135 Ų13570%0.70179%0.794SS**  trans-139.7-145.416900000108.8
386P37.6Very low32.2Very low119 Ų119137.7 Ų137.777%0.77380%0.795SS**  cis-143136.7-8.237.4-17.1000116.4
387R30.6Very low32.3Very low250 Ų250135.7 Ų135.794%0.94379%0.79SS**  trans62.2-178.5164.6-74.6-176.5176.4-1760.6114.5
388P41.9Very low33.7Very low123 Ų123133.3 Ų133.380%0.79979%0.785SS**  cis-124.8-160.2-1.143.6-26.9000115.2
389R35.1Very low34.3Very low198 Ų198133.6 Ų133.675%0.74779%0.786SS**  trans-70.1175.8174.3-54.5174179.4164.9-1.3112.4
390P32.3Very low34.5Very low126 Ų126135.9 Ų135.982%0.81878%0.783SS**  -123.4157.2121.936.3-32.8000114.6
391Q30.1Very low34.7Very low163 Ų163139.8 Ų139.876%0.76278%0.781SS**  trans-127.7133.4157.7-66.4171.5-92.900106.5
392S28.4Very low34.7Very low115 Ų115141.1 Ų141.180%0.80478%0.777SS**  trans-175.4122.8154.8520000113.2
393S31.8Very low34.1Very low112 Ų112144.1 Ų144.178%0.78378%0.779SS**  trans-65.4176.8149.78.80000110.5
394P41.3Very low34.8Very low113 Ų113144.9 Ų144.973%0.73479%0.786SS**  cis-151.3176.13545.5-24.3000119.9
395S29.1Very low34.9Very low93 Ų93146.8 Ų146.865%0.6579%0.785SS**  trans17134.7148.961.30000123.2
396H30.1Very low35.2Very low183 Ų183148.1 Ų148.185%0.84779%0.789SS**  -171.4144123.7-109.4-74.9000113.7
397D30.6Very low34.9Very low148 Ų148146 Ų14679%0.79178%0.782SS**  trans-118.1178.2163-67.8-61.1000108.6
398P57.5Low35Very low112 Ų112144 Ų14473%0.72778%0.78SS**  -118.7-164.9-5137.2-21.7000110.9
399P46.1Very low34.3Very low128 Ų128143.4 Ų143.483%0.83178%0.779SS**  -151.4-161.5103.739.8-20000115.8
400E31.4Very low34.1Very low175 Ų175140.2 Ų140.282%0.81878%0.782SS**  trans-113.1-160.5-155.7-49.6179.1102.800117
401H32.5Very low34.9Very low157 Ų157139.4 Ų139.473%0.72778%0.776SS**  trans92.3137.2170.1-65.8-90.5000118.9
402E29.6Very low34.8Very low168 Ų168142.3 Ų142.379%0.78578%0.78SS**  cis-160.4-178.9-19-139.3-177.2137.100113.1
403F31Very low34.9Very low180 Ų180144.7 Ų144.779%0.78978%0.779SS**  trans-101165.8-176.7-90.2-84.7000114.4
404P45.7Very low34.7Very low119 Ų119145.7 Ų145.777%0.77378%0.775SS**  -129.3144.1100.38.113.6000112.2
405R33Very low34.2Very low232 Ų232145.9 Ų145.988%0.87578%0.779SS**  68.3137.956-71.5-170.8175.7-172.72.7114.7
406A33.7Very low34.2Very low96 Ų96145.6 Ų145.679%0.79378%0.783SS**  cis-169.9-164.6-1500000107.9
407A32.2Very low34.7Very low75 Ų75143.2 Ų143.262%0.6278%0.783SS**  cis-165.9140.44.100000113.4
408K32.8Very low34.6Very low208 Ų208142.4 Ų142.490%0.90478%0.784SS**  trans68.8164.4147.2-60.4166.5-175.1-179.70117.7
409S26.7Very low33.2Very low111 Ų111145.2 Ų145.278%0.77679%0.792SS**  cis-147.5177.416.959.30000115.4
410T29.6Very low32.4Very low131 Ų131147.3 Ų147.380%0.80479%0.791SS**  trans-140.2-163.8175.5620000108.6
411P50.3Low33.4Very low108 Ų108144.7 Ų144.770%0.70179%0.788SS**  cis-137.7-176.3-16.242.3-24.9000115.5
412R26.8Very low33.2Very low225 Ų225141.9 Ų141.985%0.84979%0.793SS**  trans162.5131.6140.9-89.4166.8-177.2-154.3-0.1110.7
413Q30.9Very low33.1Very low165 Ų165141.3 Ų141.377%0.77179%0.794SS**  64.1118.568.7-86.1-171.7-13.800113.7
414N28.4Very low33.1Very low132 Ų132140.9 Ų140.971%0.70680%0.799SS**  -176173.756.1-103.6-15.2000115.1
415S29.8Very low32.2Very low117 Ų117138.9 Ų138.982%0.81880%0.8SS**  trans67.7131.6149.550.50000122.9
416A29.8Very low32Very low88 Ų88133.7 Ų133.773%0.72780%0.799SS**  trans-101.1173.4153.800000110.3
417P40.3Very low31.7Very low132 Ų132132.4 Ų132.486%0.85780%0.795SS**  -143.5175.7124.239.2-26.3000114.8
418T29.1Very low31.6Very low132 Ų132138.4 Ų138.481%0.8181%0.81SS**  trans-118.6141.4177.5-55.70000109.9
419L27.4Very low31.4Very low170 Ų170139.7 Ų139.789%0.8981%0.809SS**  trans-178.1164.9146.6-101.9160.7000113.2
420Q30Very low32.5Very low173 Ų173139.6 Ų139.681%0.80881%0.806SS**  trans-126.7-166173.4-57.1179.6-21.400108.2
421P52.4Low33.5Very low119 Ų119139.2 Ų139.277%0.77381%0.806SS**  cis-129164.7-39.226.4-7.4000113.8
422A26.9Very low32.5Very low99 Ų99137.2 Ų137.282%0.81881%0.805SS**  trans-178.9177.415500000111.5
423L27.8Very low32.5Very low155 Ų155131.2 Ų131.281%0.81280%0.804SS**  -173.3155.3-71.6-115.4174.4000109.5
424L30.8Very low32.4Very low172 Ų172132.9 Ų132.990%0.90181%0.808SS**  trans65.2151.6176.5-61.7135.1000115.8
425G26.7Very low32.4Very low76 Ų76134.7 Ų134.778%0.78481%0.813SS**  cis-162.9175.1-8.400000107.6
426S29.6Very low32.4Very low124 Ų124137.8 Ų137.887%0.86781%0.814SS**  cis-142.4164.417.550.50000110.2
427G28Very low32.9Very low68 Ų68138.9 Ų138.970%0.70181%0.814SS**  90.7127.98300000111.7
428E29.3Very low33.6Very low201 Ų201137.5 Ų137.594%0.93981%0.805SS**  cis-145.7-158.35.3-68.4-164.58500113.2
429R29.6Very low33.5Very low235 Ų235138.9 Ų138.989%0.88781%0.806SS**  trans-149.8-164.5-167.7-124.2-176.1-166.9-176.95.7107.7
430P49.8Very low33.3Very low109 Ų109135.5 Ų135.571%0.70879%0.793SS**  cis-123.5-128.1-2939-18.5000108.3
431P49.5Very low33.1Very low124 Ų124136 Ų13681%0.80579%0.793SS**  cis-114-170.9-44.637.4-20.6000111.6
432G28.9Very low31.9Very low66 Ų66137.4 Ų137.468%0.6879%0.793SS**  cis-172.6141.3-4.600000108.6
433A28.2Very low31.8Very low99 Ų99139.9 Ų139.982%0.81879%0.792SS**  70.8104.389.100000116.9
434K28.5Very low31.7Very low199 Ų199141.5 Ų141.587%0.86580%0.795SS**  172174.6127.5-95.8-172.2176.2-164.20115.3
435E28.3Very low31.5Very low171 Ų171142.6 Ų142.680%0.79979%0.792SS**  trans-88.9179.4-160.6-60.4127.9121.100117.4
436E29.3Very low32.1Very low182 Ų182145.3 Ų145.385%0.8580%0.797SS**  trans-53.7-179169.4-101-174.7-162.100117.2
437P40.8Very low31.9Very low110 Ų110142.5 Ų142.571%0.71479%0.787SS**  cis-127.4-104.2-7.621.85.3000116.6
438P54.3Low32Very low103 Ų103150.3 Ų150.367%0.66980%0.795SS**  trans-129.1176.3-136.139.1-17.7000116.9
439L26.8Very low32Very low161 Ų161151.7 Ų151.784%0.84379%0.792SS**  164.7152.1126.4-86.9167.8000116.2
440T24.6Very low31.9Very low99 Ų99144.4 Ų144.461%0.60779%0.79SS**  trans-49.2169.5176.851.60000122
441F26Very low30.9Very low185 Ų185144.5 Ų144.581%0.81180%0.8SS**  trans81.3153.2153-71.2-54.3000118
442L26.2Very low29.9Very low148 Ų148142.9 Ų142.978%0.77580%0.797SS**  cis-147.9-1679.5-128.8169.5000113.2
443L25.7Very low30.2Very low151 Ų151146.1 Ų146.179%0.79181%0.806SS**  trans-59.2155.2-170.2-106.968.5000118.6
444E24.7Very low30.3Very low189 Ų189146.7 Ų146.788%0.88380%0.804SS**  -157.4160.8121.7-125.1180-157.400115
445K26.7Very low30.1Very low194 Ų194145.4 Ų145.484%0.84381%0.806SS**  trans-163.2149.4178.7-96.4-174.9-177.9176.20107.5
446P39.2Very low30.1Very low134 Ų134144 Ų14487%0.8781%0.809SS**  -144.3-17553.236.2-14.7000114.6
447G25.1Very low30Very low65 Ų65141.3 Ų141.367%0.6781%0.81SS**  cis158171.6-9.400000113.4
448R30.3Very low29.4Very low232 Ų232145.4 Ų145.488%0.87582%0.82SS**  trans68.5148.2-179.4-62.8-179.9173.7-175.2-0.9114.7
449R29.3Very low28Very low229 Ų229145.5 Ų145.586%0.86483%0.83SS**  cis-155.1149.22.4-128174.7-171.5-176.71.8109
450G28.1Very low27.9Very low82 Ų82143 Ų14385%0.84583%0.832SS**  trans153.9141.417500000111.2
451A29.5Very low28Very low111 Ų111143.2 Ų143.292%0.91784%0.844SS**  trans-124.4156.2-168.700000113.5
452A27.5Very low28Very low90 Ų90143.1 Ų143.174%0.74485%0.846SS**  trans-141.1155.8176.800000110.6
453P34.8Very low28.1Very low134 Ų134142.6 Ų142.687%0.8785%0.848SS**  trans-74165.916732.3-33.8000111.9
454S29.7Very low28.1Very low112 Ų112141.3 Ų141.378%0.78385%0.847SS**  trans-93.7149.5-156.848.70000116.8
455L25.9Very low28.1Very low172 Ų172140.1 Ų140.190%0.90185%0.847SS**  trans-135.3111.6161.8-87.4171.6000109.5
456T28.3Very low28.2Very low140 Ų140139.5 Ų139.586%0.85985%0.847SS**  trans-163.9110163.812.80000112.9
457S27.2Very low27.6Very low126 Ų126137.1 Ų137.188%0.88184%0.838SS**  trans-168.775.5148.747.90000111.4
458Q27.6Very low27.7Very low197 Ų197139.9 Ų139.992%0.92184%0.837SS**  trans-95.7154.9161.2-79.3-170.5-14.800110.7
459A25.6Very low27.6Very low105 Ų105137 Ų13787%0.86884%0.837SS**  trans64.695.5166.200000118.9
460A24.7Very low27.6Very low108 Ų108136.7 Ų136.789%0.89384%0.836SS**  trans-173.496.3138.300000112
461A25.4Very low27.4Very low103 Ų103136.6 Ų136.685%0.85184%0.836SS**  trans-166.143.817100000116.2
462Q27Very low27.4Very low184 Ų184137.9 Ų137.986%0.8683%0.827SS**  trans-145.3131.5166.6-97.3-167.4-9.900111.7
463V27.3Very low27.4Very low136 Ų136144.7 Ų144.782%0.82483%0.834SS**  trans60.1112.4172-168.80000113.5
464T27.1Very low27.2Very low125 Ų125145.1 Ų145.177%0.76783%0.829SS**  -148154.6618.70000113
465N24.8Very low27.1Very low164 Ų164151.3 Ų151.388%0.87784%0.835SS**  trans-150.490.9148.5-146.9-18.5000111.8
466Q27.2Very low27.1Very low180 Ų180146.9 Ų146.984%0.84183%0.83SS**  trans-147147.1166.8-72.8-170.3-6.900104.5
467A27.5Very low27Very low84 Ų84144.4 Ų144.469%0.69483%0.833SS**  cis-146.7-151.611.500000108.3
468L26.8Very low26.9Very low124 Ų124142 Ų14265%0.64983%0.828SS**  cis-163.6125.44.1-145.3164.9000108.4R470L468-R470 HydrophobicContact CD2-CB 4.45Å; L468-R470 HydrophobicContact CD2-CG 3.77Å
469I29.2Very low27Very low171 Ų171139.5 Ų139.588%0.87783%0.826SS**  trans-133.4122.5150-65.9-173.9000107
470R27.9Very low27.1Very low222 Ų222145.7 Ų145.784%0.83883%0.826SS**  trans-87.1129.2170.5-84167.1177.1177.1-2108.9L468L468-R470 HydrophobicContact CD2-CB 4.45Å; L468-R470 HydrophobicContact CD2-CG 3.77Å
471G25.2Very low27.4Very low81 Ų81147.4 Ų147.484%0.83583%0.826SS**  trans-138.4104.7162.200000106.1
472D29.8Very low27.4Very low138 Ų138146.7 Ų146.774%0.73882%0.82SS**  trans-106.9179.6-163.4-175.524.1000111.2
473W26.9Very low27.5Very low232 Ų232142.4 Ų142.488%0.87981%0.81SS**  trans95.6154170.2-67.770.7000119.5
474N29.3Very low27.5Very low144 Ų144141.4 Ų141.477%0.7780%0.804SS**  trans-152.7166.4-161.8-173.51.5000109.5
475R29.5Very low27.5Very low242 Ų242142.4 Ų142.491%0.91380%0.8SS**  trans80.5146.5-174.9-52.1178.6173.9-156-1116
476G25.8Very low27.6Very low78 Ų78141.9 Ų141.980%0.80479%0.793SS**  trans173.6-24.114800000123.2
477G25.2Very low27.7Very low89 Ų89139.5 Ų139.592%0.91879%0.79SS**  trans71167.717800000116.8
478G25.9Very low29Very low74 Ų74141 Ų14176%0.76379%0.792SS**  trans151.667.4176.400000119
479V29.1Very low30.2Very low145 Ų145140.1 Ų140.188%0.87979%0.794SS**  trans44.1128.5147.4-173.20000122.3
480R28.2Very low30.1Very low235 Ų235143.5 Ų143.589%0.88780%0.796SS**  trans-48.9156.7168-48.8160.1174.8172-4.1116.5
481V29.4Very low29.9Very low145 Ų145138.8 Ų138.888%0.87980%0.796SS**  trans-146.6152.5130.11640000108.9
482A27.4Very low31.2Very low87 Ų87140 Ų14072%0.71979%0.789SS**  trans-121.7-176.1172.100000109
483S27.6Very low31.9Very low95 Ų95139.3 Ų139.366%0.66479%0.792SS**  cis-176.9168.120.6440000109.7
484T27.5Very low32Very low114 Ų114134.8 Ų134.870%0.69978%0.781SS**  trans63.4160.8151.146.80000118.8
485Q27.8Very low31.8Very low146 Ų146132.8 Ų132.868%0.68278%0.784SS**  cis-160.4163.4-6-121.4164.4-1.100111.5
486Q25.9Very low31.7Very low153 Ų153131.3 Ų131.372%0.71578%0.779SS**  trans39.4135.9145.4-66.9157.1-0.100121.9
487V29.2Very low32.2Very low130 Ų130133.6 Ų133.679%0.78878%0.779SS**  cis72.1143.637.2-178.90000113.2
488P55.5Low32.2Very low115 Ų115133 Ų13375%0.74777%0.774SS**  cis-113.9-121.20.522.94.3000110.5
489P51.8Low32.4Very low106 Ų106141.7 Ų141.769%0.68878%0.783SS**  cis-142.1173-24.942.4-23.2000119.5
490R26.9Very low32.2Very low242 Ų242145.3 Ų145.391%0.91378%0.782SS**  trans94149.5155.5-57-151171.5-178.4-2.1121.9
491C24.2Very low32Very low123 Ų123143 Ų14383%0.83178%0.783SS**  trans-175.9-172.9-161.8-97.70000108.4
492P51.7Low31.9Very low108 Ų108144.8 Ų144.870%0.70178%0.779SS**  cis-105.3-118.9-16.841.3-25.9000108.1
493P45.6Very low31.7Very low122 Ų122146.2 Ų146.279%0.79278%0.784SS**  cis-86.2166.3-19.133.9-25.5000112
494E28.4Very low31.6Very low137 Ų137148.4 Ų148.464%0.6479%0.793SS**  cis100.610132.6-77.5-124.2119.900116.8R496E494-R496 IonicContact OE1-CZ 3.17Å; E494-R496 IonicContact OE1-NE 2.83Å; E494-R496 PolarHBondContact OE1-NE 3.27Å; E494-R496 IonicContact OE1-NH2 2.72Å; E494-R496 PolarHBondContact OE1-NH2 3.36Å
495A24.7Very low31.4Very low103 Ų103148.2 Ų148.285%0.85180%0.797SS**  trans-154.2154.6142.200000109.4
496R27.7Very low31.3Very low210 Ų210146.2 Ų146.279%0.79281%0.805SS**  trans-137.5175.8-171.6-62.5-171-167.2-167.85.4110.1E494E494-R496 IonicContact OE1-CZ 3.17Å; E494-R496 IonicContact OE1-NE 2.83Å; E494-R496 PolarHBondContact OE1-NE 3.27Å; E494-R496 IonicContact OE1-NH2 2.72Å; E494-R496 PolarHBondContact OE1-NH2 3.36Å
497P35.8Very low31.3Very low126 Ų126146.9 Ų146.982%0.81881%0.813SS**  cis-134.3158.14.740.3-23.1000117.3
498G25.1Very low31.2Very low78 Ų78150 Ų15080%0.80482%0.818SS**PPolyproline II helixtrans-102.6151165.200000113
499R30.1Very low29.7Very low255 Ų255147.9 Ų147.996%0.96282%0.818SS**PPolyproline II helixtrans-79.4151.7175.9-86.1-174.4170.1-169-2.2112.5
500R25.8Very low28.4Very low222 Ų222147.4 Ų147.484%0.83882%0.823SS**PPolyproline II helixtrans-70132.1-176.8-57.8174.3-175.8167.8-0.1111.7
501M25Very low28.4Very low186 Ų186146 Ų14692%0.91683%0.827SS**PPolyproline II helixtrans-96.2141.4152.2-72.5-168.3-74.600108.6
502F25.9Very low28.5Very low183 Ų183143.7 Ų143.780%0.80382%0.824SS**PPolyproline II helixtrans-103.9134.4166.9-88.7-80.7000109.6
503S23.2Very low27.4Very low116 Ų116142.5 Ų142.581%0.81182%0.823SS**PPolyproline II helixtrans-79.5121.4179.251.90000111.6
504T25.1Very low26.5Very low141 Ų141141.3 Ų141.387%0.86582%0.824SS**PPolyproline II helixtrans-91.5126.1159.445.70000109.7A506T504-A506 PolarHBondContact O-N 2.85Å
505S24.9Very low26.5Very low111 Ų111146.8 Ų146.878%0.77684%0.838SS**PPolyproline II helixtrans-64.7124.7-177.650.30000112.5L507S505-L507 PolarHBondContact O-N 2.78Å
506A24.8Very low27Very low103 Ų103144.7 Ų144.785%0.85182%0.821SS**PPolyproline II helixtrans-74.1116.7168.400000110T504T504-A506 PolarHBondContact O-N 2.85Å
507L25.9Very low27.4Very low168 Ų168140 Ų14088%0.8881%0.811SS**PPolyproline II helixtrans-93.6123171.8-120.3159.6000108.7S505S505-L507 PolarHBondContact O-N 2.78Å
508Q27.7Very low27.3Very low194 Ų194135.4 Ų135.491%0.90778%0.78SS**PPolyproline II helixtrans-72.8133-175.5-68166.5-64.300111.2
509G23.2Very low27.8Very low71 Ų71132.6 Ų132.673%0.73275%0.75SS**  trans-163.6136.7173.800000112.4
510A25.6Very low28.3Very low97 Ų97120.9 Ų120.980%0.80271%0.709SS**  trans55.660.1169.100000117.7G512A510-G512 PolarHBondContact O-N 3.33Å; A510-G512 VanDerWaalsContact O-N 3.17Å
511Q25.6Very low29Very low212 Ų212110.4 Ų110.499%0.99167%0.67SS**THydrogen-bonded Turntrans-61.6113.4147.4-80-175.8-23.100108.4
512G26.2Very low29.8Very low75 Ų75101.7 Ų101.777%0.77363%0.627SS**THydrogen-bonded Turntrans167.1-22.5179.300000116.5A510 A514A510-G512 PolarHBondContact O-N 3.33Å; A510-G512 VanDerWaalsContact O-N 3.17Å; G512-A514 PolarHBondContact O-N 3.17Å
513A29.8Very low30.7Very low83 Ų8396.4 Ų96.469%0.68661%0.605SS**  trans-86.56.4-172.100000115.9R515A513-R515 VanDerWaalsContact C-N 3.32Å; A513-R515 PolarHBondContact O-N 3.38Å
514A26.2Very low31.6Very low97 Ų9791.1 Ų91.180%0.80257%0.568SS**THydrogen-bonded Turntrans-75.63.8-157.200000117.8G512G512-A514 PolarHBondContact O-N 3.17Å
515R28.8Very low32.4Very low251 Ų25185.1 Ų85.195%0.94753%0.529SS*.THydrogen-bonded Turntrans-14014.7-173.1-92.9-174.8170.1159.6-2.4116.7A513A513-R515 VanDerWaalsContact C-N 3.32Å; A513-R515 PolarHBondContact O-N 3.38Å
516A34.1Very low33.3Very low59 Ų5980.9 Ų80.949%0.48850%0.503SS..  trans-11843.2-175.400000113.9
517L35.7Very low33.8Very low111 Ų11180.7 Ų80.758%0.58149%0.491SS*.  trans-11367.1-175.6-67.6173.3000112.8G519L517-G519 PolarHBondContact O-N 3.34Å
518L35.1Very low34.4Very low31 Ų3173.8 Ų73.816%0.16246%0.456CS..  trans-61.3115.5151.9-106.4178.3000107.5Y24 V178 G520 Q523Y24-L518 HydrophobicContact CD2-CD2 4.15Å; Y24-L518 HydrophobicContact CE1-CD2 4.18Å; Y24-L518 HydrophobicContact CE2-CD2 3.6Å; Y24-L518 HydrophobicContact CE2-CG 4.48Å; V178-L518 HydrophobicContact CB-CD1 3.68Å; V178-L518 HydrophobicContact CB-CG 4.27Å; V178-L518 HydrophobicContact CG1-CD1 3.85Å; V178-L518 HydrophobicContact CG1-CG 3.85Å; L518-G520 PolarHBondContact O-N 3.06Å; L518-Q523 PolarHBondContact O-NE2 3.42Å
519G34.3Very low34.7Very low18 Ų1868.7 Ų68.719%0.18644%0.441CS..  trans-7880.2-170.400000113.1L517L517-G519 PolarHBondContact O-N 3.34Å
520G42.2Very low35.3Very low9 Ų970.9 Ų70.99%0.09343%0.432CS..  trans-69.2160.617300000113D155 L518 S522 Q523D155-G520 WeakPolarHBondContact OD2-CA 3.36Å; L518-G520 PolarHBondContact O-N 3.06Å; G520-S522 PolarHBondContact O-N 3.37Å; G520-Q523 PolarHBondContact O-N 3.24Å; G520-Q523 VanDerWaalsContact O-N 3.11Å
521Y39.3Very low36Very low3 Ų370.3 Ų70.31%0.01242%0.422CS..G310 helixtrans-47.9-34.5-179.7-173.3-94.4000113A40 K42 F92 L144 C154 Y525A40-Y521 WeakPolarHBondContact CB-OH 3.16Å; K42-Y521 HydrophobicContact CB-CE2 4.46Å; K42-Y521 HydrophobicContact CD-CD2 3.69Å; K42-Y521 HydrophobicContact CD-CE2 4.31Å; F92-Y521 WeakPolarHBondContact CB-OH 3.36Å; F92-Y521 HydrophobicContact CD1-CE2 4.41Å; F92-Y521 AromaticContact CD2-CE2 3.5Å; F92-Y521 HydrophobicContact CD2-CE2 3.5Å; F92-Y521 HydrophobicContact CE1-CE2 4.41Å; F92-Y521 HydrophobicContact CE2-CD2 4.13Å; F92-Y521 AromaticContact CE2-CE2 3.52Å; F92-Y521 HydrophobicContact CE2-CE2 3.52Å; F92-Y521 AromaticContact CG-CE2 3.96Å; F92-Y521 HydrophobicContact CG-CE2 3.96Å; F92-Y521 HydrophobicContact CZ-CD2 4.35Å; F92-Y521 AromaticContact CZ-CE2 4Å; F92-Y521 HydrophobicContact CZ-CE2 4Å; L144-Y521 HydrophobicContact CD1-CD1 3.82Å; L144-Y521 HydrophobicContact CD1-CE1 3.46Å; L144-Y521 VanDerWaalsContact CD1-CE1 3.46Å; L144-Y521 HydrophobicContact CD2-CD1 4.16Å; L144-Y521 HydrophobicContact CD2-CE1 4.22Å; L144-Y521 HydrophobicContact CG-CE1 4.47Å; C154-Y521 HydrophobicContact CB-CD1 3.94Å; C154-Y521 HydrophobicContact CB-CE1 4.49Å; C154-Y521 HydrophobicContact CB-CG 4.32Å; Y521-Y525 HydrophobicContact CD1-CD2 4.38Å; Y521-Y525 AromaticContact CD1-CE2 3.6Å; Y521-Y525 HydrophobicContact CD1-CE2 3.6Å; Y521-Y525 HydrophobicContact CE1-CD2 4.37Å; Y521-Y525 AromaticContact CE1-CE2 3.29Å; Y521-Y525 HydrophobicContact CE1-CE2 3.29Å; Y521-Y525 AromaticContact CE1-CZ 3.59Å; Y521-Y525 VanDerWaalsContact CE1-OH 3.29Å; Y521-Y525 WeakPolarHBondContact CE1-OH 3.48Å; Y521-Y525 VanDerWaalsContact CZ-OH 3.28Å; Y521-Y525 PolarHBondContact OH-OH 3.48Å
522S42.8Very low36.7Very low2 Ų262.3 Ų62.31%0.01439%0.392CS..G310 helixtrans-72.6-23.7-175.152.10000116.8S141 N142 G520 A524 Y525S141-S522 WeakPolarHBondContact CB-OG 3.38Å; S141-S522 WeakPolarHBondContact O-CB 3.5Å; S141-S522 WeakPolarHBondContact OG-CB 3.29Å; S141-S522 PolarHBondContact OG-OG 2.83Å; N142-S522 WeakPolarHBondContact OD1-CB 3.35Å; N142-S522 PolarHBondContact OD1-OG 3.16Å; G520-S522 PolarHBondContact O-N 3.37Å; S522-A524 PolarHBondContact O-N 3.13Å; S522-Y525 PolarHBondContact O-N 3.22Å
523Q43.4Very low37.6Very low73 Ų7359.5 Ų59.534%0.34136%0.359SS..G310 helixtrans-68.8-2178.5-70.7174.418.100113.1L518 G520L518-Q523 PolarHBondContact O-NE2 3.42Å; G520-Q523 PolarHBondContact O-N 3.24Å; G520-Q523 VanDerWaalsContact O-N 3.11Å
524A42.7Very low38Very low4 Ų458.3 Ų58.33%0.03336%0.355CS..G310 helixtrans-93.7-17.617500000115L19 G20 V27 S522L19-A524 CarbonylContact C-O 3.56Å; L19-A524 WeakPolarHBondContact CA-O 3.42Å; L19-A524 HydrophobicContact CB-CB 4.05Å; L19-A524 WeakPolarHBondContact CB-O 3.04Å; G20-A524 PolarHBondContact N-O 3.31Å; V27-A524 HydrophobicContact CB-CB 3.6Å; V27-A524 HydrophobicContact CG1-CB 4.43Å; V27-A524 HydrophobicContact CG2-CB 3.58Å; S522-A524 PolarHBondContact O-N 3.13Å
525Y42.8Very low38.7Very low16 Ų1661.1 Ų61.16%0.06335%0.351CS..PPolyproline II helixtrans-81.4137.5-166.4-77.1-89.7000113.1L19 A40 M95 L144 Y521 S522L19-Y525 HydrophobicContact CD1-CE1 3.98Å; A40-Y525 VanDerWaalsContact CB-OH 3.24Å; A40-Y525 WeakPolarHBondContact CB-OH 3.36Å; M95-Y525 HydrophobicContact CB-CE1 4.26Å; M95-Y525 WeakPolarHBondContact O-CD1 3.48Å; M95-Y525 WeakPolarHBondContact O-CE1 2.94Å; L144-Y525 HydrophobicContact CD2-CD1 4.49Å; L144-Y525 HydrophobicContact CD2-CD2 3.71Å; L144-Y525 HydrophobicContact CD2-CE2 3.98Å; L144-Y525 HydrophobicContact CD2-CG 4.01Å; Y521-Y525 HydrophobicContact CD1-CD2 4.38Å; Y521-Y525 AromaticContact CD1-CE2 3.6Å; Y521-Y525 HydrophobicContact CD1-CE2 3.6Å; Y521-Y525 HydrophobicContact CE1-CD2 4.37Å; Y521-Y525 AromaticContact CE1-CE2 3.29Å; Y521-Y525 HydrophobicContact CE1-CE2 3.29Å; Y521-Y525 AromaticContact CE1-CZ 3.59Å; Y521-Y525 VanDerWaalsContact CE1-OH 3.29Å; Y521-Y525 WeakPolarHBondContact CE1-OH 3.48Å; Y521-Y525 VanDerWaalsContact CZ-OH 3.28Å; Y521-Y525 PolarHBondContact OH-OH 3.48Å; S522-Y525 PolarHBondContact O-N 3.22Å
526G42.3Very low39.4Very low21 Ų2150.1 Ų50.122%0.21631%0.311CS..PPolyproline II helixtrans-88.3160.3-173.800000112T97T97-G526 WeakPolarHBondContact CB-O 3.38Å; T97-G526 PolarHBondContact OG1-O 3.43Å
527T35.6Very low39.9Very low100 Ų10050.4 Ų50.461%0.61331%0.308SS*.PPolyproline II helixtrans-72.4135.6174.942.30000112A101A101-T527 HydrophobicContact CB-CG2 4.12Å
528V38.6Very low40.3Very low22 Ų2249.8 Ų49.813%0.13331%0.305CS..PPolyproline II helixtrans-76.7141.9173.8-166.20000110.5T97 K105 A532 L533T97-V528 HydrophobicContact CG2-CG2 3.4Å; K105-V528 PolarHBondContact NZ-O 3.27Å; V528-A532 HydrophobicContact CG1-CB 3.7Å; V528-L533 HydrophobicContact CB-CD1 3.83Å; V528-L533 HydrophobicContact CB-CG 4.06Å; V528-L533 HydrophobicContact CG1-CD1 4.18Å; V528-L533 HydrophobicContact CG1-CD2 4.38Å; V528-L533 HydrophobicContact CG1-CG 3.83Å; V528-L533 HydrophobicContact CG2-CD1 4.26Å
529C35.3Very low40.8Very low88 Ų8853.2 Ų53.260%0.59532%0.323SS*.PPolyproline II helixtrans-62.7150.5171.5-700000111.5S531 A532C529-S531 VanDerWaalsContact C-N 3.25Å; C529-S531 PolarHBondContact O-N 3.46Å; C529-A532 PolarHBondContact O-N 2.97Å
530H35.5Very low41Very low117 Ų11760.5 Ų60.554%0.54235%0.352SS..Hα-helixtrans-65-28.9-176.8-153.6-47.1000113.3G534H530-G534 PolarHBondContact O-N 3.27Å
531S40.7Very low41.1Very low84 Ų8469.5 Ų69.559%0.58738%0.383SS*.Hα-helixtrans-65-40174.744.80000113.6C529 L533 G534 H535C529-S531 VanDerWaalsContact C-N 3.25Å; C529-S531 PolarHBondContact O-N 3.46Å; S531-L533 VanDerWaalsContact C-N 3.28Å; S531-L533 PolarHBondContact O-N 3.31Å; S531-G534 PolarHBondContact O-N 3.3Å; S531-H535 PolarHBondContact O-CD2 3.15Å
532A39.6Very low41.3Very low44 Ų4473.3 Ų73.336%0.36440%0.401SS..Hα-helixtrans-77.2-10.8-177.500000113.9V528 C529V528-A532 HydrophobicContact CG1-CB 3.7Å; C529-A532 PolarHBondContact O-N 2.97Å
533L44.6Very low40.7Very low17 Ų1784 Ų849%0.08944%0.441CS..Hα-helixtrans-108.1-17.4170-65.6173.7000113.2V102 L108 V528 S531 H535 L536V102-L533 HydrophobicContact CG2-CD1 4.36Å; L108-L533 HydrophobicContact CB-CD1 4.39Å; L108-L533 HydrophobicContact CD1-CD1 3.78Å; L108-L533 HydrophobicContact CD2-CB 3.98Å; L108-L533 HydrophobicContact CD2-CD1 4Å; L108-L533 HydrophobicContact CG-CD1 4.27Å; V528-L533 HydrophobicContact CB-CD1 3.83Å; V528-L533 HydrophobicContact CB-CG 4.06Å; V528-L533 HydrophobicContact CG1-CD1 4.18Å; V528-L533 HydrophobicContact CG1-CD2 4.38Å; V528-L533 HydrophobicContact CG1-CG 3.83Å; V528-L533 HydrophobicContact CG2-CD1 4.26Å; S531-L533 VanDerWaalsContact C-N 3.28Å; S531-L533 PolarHBondContact O-N 3.31Å; L533-H535 PolarHBondContact O-N 3.4Å; L533-L536 HydrophobicContact CB-CG 4.29Å; L533-L536 HydrophobicContact CD2-CD1 4Å; L533-L536 HydrophobicContact CD2-CD2 3.58Å; L533-L536 HydrophobicContact CD2-CG 3.73Å; L533-L536 WeakPolarHBondContact O-CG 3.23Å; L533-L536 PolarHBondContact O-N 3.09Å
534G37.8Very low40.3Very low57 Ų5790.8 Ų90.859%0.58849%0.487SS*.THydrogen-bonded Turntrans-67-9.3167.100000113.8H530 S531H530-G534 PolarHBondContact O-N 3.27Å; S531-G534 PolarHBondContact O-N 3.3Å
535H40.8Very low40.2Very low156 Ų15695.2 Ų95.272%0.72251%0.509SS*.THydrogen-bonded Turntrans-12027.7171.7-63.5-64.6000112.4S531 L533 P537S531-H535 PolarHBondContact O-CD2 3.15Å; L533-H535 PolarHBondContact O-N 3.4Å; H535-P537 WeakPolarHBondContact O-CD 3.43Å
536L44.8Very low40Very low20 Ų2099.3 Ų99.311%0.10553%0.533CS..  trans-52.6114.9169.8-87.3-178.7000109.1C149 L533 L538C149-L536 HydrophobicContact CB-CD2 3.77Å; L533-L536 HydrophobicContact CB-CG 4.29Å; L533-L536 HydrophobicContact CD2-CD1 4Å; L533-L536 HydrophobicContact CD2-CD2 3.58Å; L533-L536 HydrophobicContact CD2-CG 3.73Å; L533-L536 WeakPolarHBondContact O-CG 3.23Å; L533-L536 PolarHBondContact O-N 3.09Å; L536-L538 PolarHBondContact O-N 3.11Å
537P43.1Very low39.9Very low65 Ų65103.7 Ų103.742%0.42255%0.55SS.*  trans-69.7120.9-177.6-17.432000109.3H535 L539H535-P537 WeakPolarHBondContact O-CD 3.43Å; P537-L539 PolarHBondContact O-N 3.19Å
538L45.8Very low40.1Very low99 Ų99103.9 Ų103.952%0.51855%0.547SS..  trans-64.7107.9158.5-65.1-179.3000106.6V112 L536 E540V112-L538 HydrophobicContact CB-CD2 4.42Å; V112-L538 HydrophobicContact CG1-CD2 3.83Å; V112-L538 HydrophobicContact CG2-CD2 3.69Å; L536-L538 PolarHBondContact O-N 3.11Å; L538-E540 PolarHBondContact O-N 3.37Å
539L44.8Very low40.2Very low103 Ų103109 Ų10954%0.53957%0.573SS.*  trans-47.4108178-85.7162.7000110.2P537 R541P537-L539 PolarHBondContact O-N 3.19Å; L539-R541 PolarHBondContact O-N 2.87Å
540E39.3Very low40.6Very low171 Ų171110.4 Ų110.480%0.79957%0.571SS**G310 helixtrans-66.9-7.8-169.5-63.2-166.8119.700113.8L538 H542L538-E540 PolarHBondContact O-N 3.37Å; E540-H542 PolarHBondContact O-N 2.81Å
541R43.1Very low40.9Very low198 Ų198109.9 Ų109.975%0.74757%0.573SS**G310 helixtrans-60.3-11.6-178-66.5-172.4174.5-165-1.4115.3L539L539-R541 PolarHBondContact O-N 2.87Å
542H43.6Very low40.9Very low82 Ų82111.9 Ų111.938%0.3857%0.572SS.*G310 helixtrans-127.355.1-174.8-52-65.6000112.5E540E540-H542 PolarHBondContact O-N 2.81Å
543R31.2Very low41Very low227 Ų227117.6 Ų117.686%0.85759%0.59SS**  trans-112.782.1156.3-79.8-171.7175.8175.81.7109.8
544V33.7Very low40.7Very low216 Ų216126.7 Ų126.7100%1.30964%0.635SS**  trans-136.30160.1-176.50000106

Retrieved 544 of 544 residues in 157.1 ms (Link to these results)

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