A0A5K4FD00_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A5K4FD00, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 360 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
1M32.7Very low47.2Very low247 Ų247125.9 Ų125.9100%1.21766%0.662SS**  095.20-79177.7177.900107.9S3M1-S3 PolarHBondContact O-N 3.24Å
2E29.5Very low50.2Low193 Ų193115.8 Ų115.890%0.90261%0.609SS**  trans-59.9121.7167.9-88.6165.9145.200108.3R4E2-R4 PolarHBondContact O-N 3.35Å
3S32.5Very low53.4Low105 Ų105112.7 Ų112.773%0.73459%0.593SS**  trans-63105.8170.859.50000106.9M1 K5M1-S3 PolarHBondContact O-N 3.24Å; S3-K5 VanDerWaalsContact C-N 3.31Å; S3-K5 PolarHBondContact O-N 3.19Å
4R33.3Very low56.2Low232 Ų232104.6 Ų104.688%0.87555%0.551SS**  trans-51.8104.8162.1-80.6-179.6173.3177.7-2.4105.5E2 V6E2-R4 PolarHBondContact O-N 3.35Å; R4-V6 HydrophobicContact CB-CG2 4.34Å; R4-V6 PolarHBondContact O-N 3.49Å
5K40.2Very low58.5Low188 Ų18899.6 Ų99.682%0.81753%0.534SS*.  trans-63.283.9166.1-80.5-176.3176.7-1800105.7S3 S7S3-K5 VanDerWaalsContact C-N 3.31Å; S3-K5 PolarHBondContact O-N 3.19Å; K5-S7 PolarHBondContact O-N 3.47Å
6V40.1Very low60.5Low74 Ų7497 Ų9745%0.44854%0.538SS..  trans-66.990.8167.4-179.50000104.3R4 L8R4-V6 HydrophobicContact CB-CG2 4.34Å; R4-V6 PolarHBondContact O-N 3.49Å; V6-L8 PolarHBondContact O-N 2.89Å
7S54.6Low62.5Low79 Ų7998.5 Ų98.555%0.55254%0.538SS*.PPolyproline II helixtrans-53.3133.9168.360.70000106.5K5 S9K5-S7 PolarHBondContact O-N 3.47Å; S7-S9 PolarHBondContact O-N 2.92Å; S7-S9 VanDerWaalsContact O-N 3.12Å
8L60.2Low64.3Low11 Ų1194.1 Ų94.16%0.05851%0.512CS..PPolyproline II helixtrans-47.8127.2163.6-83151.5000107V6 A10 A12 L20 L48 Y89V6-L8 PolarHBondContact O-N 2.89Å; L8-A10 PolarHBondContact O-N 3.19Å; L8-A10 VanDerWaalsContact O-N 3.17Å; L8-A12 HydrophobicContact CD2-CB 4.29Å; L8-L20 HydrophobicContact CB-CD2 4.17Å; L8-L20 HydrophobicContact CD1-CD2 4.47Å; L8-L48 HydrophobicContact CD1-CD1 3.35Å; L8-Y89 HydrophobicContact CD1-CD1 4.48Å; L8-Y89 HydrophobicContact CD1-CD2 3.45Å; L8-Y89 VanDerWaalsContact CD1-CD2 3.45Å; L8-Y89 HydrophobicContact CD1-CE2 3.61Å; L8-Y89 HydrophobicContact CD1-CG 3.93Å; L8-Y89 HydrophobicContact CD2-CD2 4.32Å; L8-Y89 HydrophobicContact CD2-CE2 4.4Å; L8-Y89 HydrophobicContact CG-CD2 3.96Å; L8-Y89 HydrophobicContact CG-CE2 3.75Å
9S61.3Low65.9Low78 Ų7893.8 Ų93.855%0.54550%0.502SS..PPolyproline II helixtrans-56.2127.5178.854.70000107.3S7 N11 A12S7-S9 PolarHBondContact O-N 2.92Å; S7-S9 VanDerWaalsContact O-N 3.12Å; S9-N11 PolarHBondContact O-N 3.42Å; S9-A12 PolarHBondContact O-N 2.86Å
10A63.8Low67.3Low60 Ų6089.2 Ų89.250%0.49648%0.478SS..THydrogen-bonded Turntrans-43.2133161.700000107.4L8L8-A10 PolarHBondContact O-N 3.19Å; L8-A10 VanDerWaalsContact O-N 3.17Å
11N70.7Confident68.6Low118 Ų11887.5 Ų87.563%0.63147%0.47SS*.THydrogen-bonded Turntrans933.2-168.5-47-45000118.1S9 L20S9-N11 PolarHBondContact O-N 3.42Å; N11-L20 PolarHBondContact N-O 3.19Å
12A83.7Confident71.5Confident4 Ų478.5 Ų78.53%0.03342%0.423CS..  trans-59.3136.5168.600000111.6L8 S9 R19 L20 V85L8-A12 HydrophobicContact CD2-CB 4.29Å; S9-A12 PolarHBondContact O-N 2.86Å; A12-R19 CarbonylContact O-C 3.55Å; A12-R19 WeakPolarHBondContact O-CA 3.46Å; A12-L20 HydrophobicContact CB-CB 4.34Å; A12-L20 HydrophobicContact CB-CD1 4.42Å; A12-L20 PolarHBondContact O-N 3.17Å; A12-V85 HydrophobicContact CB-CB 4.49Å; A12-V85 HydrophobicContact CB-CG1 4.41Å; A12-V85 HydrophobicContact CB-CG2 3.97Å
13L91.6Very high74.5Confident76 Ų7673.8 Ų73.840%0.39840%0.399SS..EExtended strand (participates in β ladder)trans-101.7107.3-179.1-172.169000111.3M38L13-M38 HydrophobicContact CD1-CG 3.76Å
14I92.7Very high77.3Confident0 Ų070.3 Ų70.30%037%0.372CS..EExtended strand (participates in β ladder)trans-87134.2-179.2-56.9-59.6000110.4G16 K17 W18 L20 I46 W79 D83 A91 V93I14-G16 PolarHBondContact O-N 3.43Å; I14-K17 PolarHBondContact O-N 2.73Å; I14-W18 PolarHBondContact N-O 3.34Å; I14-W18 PolarHBondContact O-N 3.49Å; I14-L20 HydrophobicContact CB-CD1 4.44Å; I14-L20 HydrophobicContact CD1-CD1 3.61Å; I14-L20 HydrophobicContact CG1-CD1 3.09Å; I14-I46 HydrophobicContact CG1-CD1 4.28Å; I14-I46 HydrophobicContact CG1-CG2 4.36Å; I14-W79 HydrophobicContact CG2-CE3 3.93Å; I14-W79 HydrophobicContact CG2-CH2 4.06Å; I14-W79 HydrophobicContact CG2-CZ3 3.42Å; I14-W79 VanDerWaalsContact CG2-CZ3 3.42Å; I14-D83 HydrophobicContact CD1-CB 3.77Å; I14-A91 HydrophobicContact CD1-CB 4.43Å; I14-A91 HydrophobicContact CG2-CB 3.76Å; I14-V93 HydrophobicContact CG2-CG2 3.98Å
15G90.4Very high79.9Confident29 Ų2960.6 Ų60.630%0.29934%0.344SS..THydrogen-bonded Turntrans57.519.9177.900000114K17G15-K17 PolarHBondContact O-N 2.87Å
16G90.7Very high81.8Confident58 Ų5854.3 Ų54.360%0.59833%0.332SS*.THydrogen-bonded Turntrans67.67.6-174.500000115.3I14I14-G16 PolarHBondContact O-N 3.43Å
17K93.8Very high83.1Confident123 Ų12353.3 Ų53.354%0.53534%0.337SS..THydrogen-bonded Turntrans-134.6-31.8-170.5-66.8-178.9-178.6-174.80115I14 G15 M38I14-K17 PolarHBondContact O-N 2.73Å; G15-K17 PolarHBondContact O-N 2.87Å; K17-M38 VanDerWaalsContact O-CB 3.31Å; K17-M38 WeakPolarHBondContact O-CB 3.5Å; K17-M38 WeakPolarHBondContact O-CG 3.42Å; K17-M38 PolarHBondContact O-N 3.23Å
18W96Very high83.6Confident18 Ų1854 Ų547%0.06834%0.342CS..EExtended strand (participates in β ladder)trans-112.9116.6-172.6-61.8-85.4000111.3I14 Q36 V44 I46 W79 V93I14-W18 PolarHBondContact N-O 3.34Å; I14-W18 PolarHBondContact O-N 3.49Å; W18-Q36 CarbonylContact C-O 3.02Å; W18-Q36 VanDerWaalsContact CA-O 3.3Å; W18-Q36 WeakPolarHBondContact CA-O 3.33Å; W18-V44 HydrophobicContact CB-CG2 4.49Å; W18-V44 HydrophobicContact CG-CG2 4.21Å; W18-I46 HydrophobicContact CB-CD1 3.99Å; W18-W79 HydrophobicContact CE3-CB 4.41Å; W18-W79 HydrophobicContact CH2-CB 3.62Å; W18-W79 HydrophobicContact CH2-CG 4.2Å; W18-W79 HydrophobicContact CZ3-CB 3.5Å; W18-W79 HydrophobicContact CZ3-CD2 4.3Å; W18-W79 AromaticContact CZ3-CG 3.7Å; W18-W79 HydrophobicContact CZ3-CG 3.7Å; W18-V93 HydrophobicContact CD2-CB 4.38Å; W18-V93 HydrophobicContact CD2-CG1 3.82Å; W18-V93 HydrophobicContact CD2-CG2 4.09Å; W18-V93 HydrophobicContact CE3-CB 4.47Å; W18-V93 HydrophobicContact CE3-CG1 4.38Å; W18-V93 HydrophobicContact CE3-CG2 3.93Å; W18-V93 HydrophobicContact CG-CG1 3.91Å; W18-V93 HydrophobicContact CG-CG2 4.37Å; W18-V93 HydrophobicContact CZ2-CG1 4.4Å
19R95Very high83.9Confident90 Ų9055.6 Ų55.634%0.3435%0.348SS..EExtended strand (participates in β ladder)trans-78.8129.6175.8-177.5-168.8-68.4155.4-8.9109.4A12 V21 G35 Q36 M38A12-R19 CarbonylContact O-C 3.55Å; A12-R19 WeakPolarHBondContact O-CA 3.46Å; R19-V21 PolarHBondContact O-N 3.14Å; R19-G35 CarbonylContact O-C 3.54Å; R19-G35 WeakPolarHBondContact O-CA 3.46Å; R19-Q36 PolarHBondContact N-O 3.34Å; R19-Q36 PolarHBondContact O-N 3Å; R19-M38 HydrophobicContact CB-CG 4.24Å; R19-M38 HydrophobicContact CB-SD 3.68Å; R19-M38 PolarHBondContact NE-SD 3.03Å; R19-M38 VanDerWaalsContact NE-SD 3.41Å; R19-M38 PolarHBondContact NH2-SD 2.96Å
20L93.5Very high84.8Confident1 Ų152.5 Ų52.51%0.00533%0.329CS..EExtended strand (participates in β ladder)trans-66.6123.6165.4-101.480.7000110L8 N11 A12 I14 Y33 I46 L48L8-L20 HydrophobicContact CB-CD2 4.17Å; L8-L20 HydrophobicContact CD1-CD2 4.47Å; N11-L20 PolarHBondContact N-O 3.19Å; A12-L20 HydrophobicContact CB-CB 4.34Å; A12-L20 HydrophobicContact CB-CD1 4.42Å; A12-L20 PolarHBondContact O-N 3.17Å; I14-L20 HydrophobicContact CB-CD1 4.44Å; I14-L20 HydrophobicContact CD1-CD1 3.61Å; I14-L20 HydrophobicContact CG1-CD1 3.09Å; L20-Y33 HydrophobicContact CD2-CD1 3.81Å; L20-Y33 HydrophobicContact CD2-CD2 4.29Å; L20-Y33 HydrophobicContact CD2-CE1 4.21Å; L20-Y33 HydrophobicContact CD2-CG 3.88Å; L20-Y33 HydrophobicContact CG-CD1 4.41Å; L20-Y33 HydrophobicContact CG-CG 4.34Å; L20-I46 HydrophobicContact CD1-CD1 3.92Å; L20-I46 HydrophobicContact CD1-CG2 4.39Å; L20-L48 HydrophobicContact CD2-CD1 3.81Å
21V93.7Very high86.1Confident54 Ų5452 Ų5233%0.32732%0.318SS..EExtended strand (participates in β ladder)trans-96.5-68.2178.3-1750000109.9R19 L34 Q36R19-V21 PolarHBondContact O-N 3.14Å; V21-L34 HydrophobicContact CB-CB 4.36Å; V21-L34 HydrophobicContact CB-CD2 4.3Å; V21-L34 HydrophobicContact CB-CG 4.21Å; V21-L34 WeakPolarHBondContact CB-O 3.41Å; V21-L34 HydrophobicContact CG1-CD2 4.25Å; V21-L34 HydrophobicContact CG2-CG 4.43Å; V21-L34 PolarHBondContact N-O 3.3Å; V21-Q36 HydrophobicContact CG2-CB 4.09Å
22R93.5Very high87.2Confident57 Ų5749.1 Ų49.122%0.21530%0.302CS..EExtended strand (participates in β ladder)trans-157.1158.8-173.660.6-179.6-162.669.915.7111.1Y33 L34 Q358 Y359R22-Y33 VanDerWaalsContact C-CD1 3.46Å; R22-Y33 CarbonylContact O-C 3.55Å; R22-Y33 VanDerWaalsContact O-CA 3.24Å; R22-Y33 WeakPolarHBondContact O-CA 3.1Å; R22-Y33 WeakPolarHBondContact O-CB 3.43Å; R22-L34 HydrophobicContact CG-CB 4.09Å; R22-L34 HydrophobicContact CG-CD2 4.26Å; R22-L34 PolarHBondContact N-O 3.17Å; R22-L34 PolarHBondContact O-N 2.63Å; R22-Q358 PolarHBondContact NH1-O 3.49Å; R22-Q358 PolarHBondContact NH2-O 3.38Å; R22-Y359 VanDerWaalsContact CZ-CD1 3.44Å; R22-Y359 VanDerWaalsContact NH2-CA 3.3Å
23K92.8Very high87.8Confident95 Ų9550 Ų5041%0.41331%0.305SS..EExtended strand (participates in β ladder)trans-72.7133.9176.3-170.3173.1180165.90109.9G25 D31 Y33K23-G25 WeakPolarHBondContact CE-O 3.17Å; K23-D31 VanDerWaalsContact CE-CG 3.44Å; K23-D31 VanDerWaalsContact CE-OD1 3.28Å; K23-D31 WeakPolarHBondContact CE-OD1 3.21Å; K23-D31 IonicContact NZ-OD1 3.59Å; K23-D31 PolarHBondContact NZ-OD1 3.34Å; K23-D31 IonicContact NZ-OD2 4Å; K23-D31 PolarHBondContact NZ-OD2 2.68Å; K23-Y33 HydrophobicContact CB-CD1 4.01Å; K23-Y33 HydrophobicContact CB-CE1 3.72Å; K23-Y33 HydrophobicContact CG-CE1 4.33Å
24I92.1Very high88Confident32 Ų3246.8 Ų46.816%0.16429%0.288CS..EExtended strand (participates in β ladder)trans-117-16.417860.9177.9000113.4I32 L34 L96I24-I32 HydrophobicContact CD1-CG2 3.86Å; I24-I32 HydrophobicContact CG1-CB 4.13Å; I24-I32 HydrophobicContact CG1-CG2 3.73Å; I24-I32 WeakPolarHBondContact CG1-O 3.5Å; I24-I32 PolarHBondContact N-O 3.18Å; I24-L34 HydrophobicContact CG2-CB 3.64Å; I24-L96 HydrophobicContact CD1-CD1 3.71Å
25G87.1Confident88.2Confident27 Ų2746.8 Ų46.828%0.27829%0.288SS..EExtended strand (participates in β ladder)trans-167.3171.2179.500000111.8K23 I32K23-G25 WeakPolarHBondContact CE-O 3.17Å; G25-I32 PolarHBondContact N-O 3.32Å; G25-I32 VanDerWaalsContact N-O 3.11Å; G25-I32 PolarHBondContact O-N 3.21Å
26G81.6Confident88.5Confident56 Ų5648.5 Ų48.558%0.57729%0.288SS*.EExtended strand (participates in β ladder)trans-152.5139.1172.900000109.3
27G66.8Low88.8Confident53 Ų5347.1 Ų47.155%0.54627%0.267SS..EExtended strand (participates in β ladder)trans-127.4-175.7177.800000111.6F29 G30G27-F29 PolarHBondContact O-N 2.92Å; G27-F29 VanDerWaalsContact O-N 3.15Å; G27-G30 PolarHBondContact N-O 2.66Å
28S64.1Low88.8Confident93 Ų9345.4 Ų45.465%0.6526%0.262SS*.THydrogen-bonded Turntrans-62.1-19.3176.539.10000114.1
29F67.9Low88.8Confident45 Ų4552 Ų5220%0.19730%0.298CS..THydrogen-bonded Turntrans-117.1-1.1-169.1-45.3-60000113.7G27 Q57 L164G27-F29 PolarHBondContact O-N 2.92Å; G27-F29 VanDerWaalsContact O-N 3.15Å; F29-Q57 HydrophobicContact CD1-CG 4.46Å; F29-Q57 VanDerWaalsContact CG-OE1 3.24Å; F29-L164 HydrophobicContact CZ-CD1 4.47Å; F29-L164 HydrophobicContact CZ-CD2 4.31Å; F29-L164 HydrophobicContact CZ-CG 4.31Å
30G80.2Confident88.8Confident13 Ų1351.4 Ų51.413%0.13430%0.304CS..EExtended strand (participates in β ladder)trans160.6177.7-17800000113.6G27 L48G27-G30 PolarHBondContact N-O 2.66Å; G30-L48 WeakPolarHBondContact CA-O 3.48Å
31D91Very high88.9Confident51 Ų5153 Ų5327%0.27332%0.321SS..EExtended strand (participates in β ladder)trans-101.9145.3175.7-73.1-22.5000109.8K23 Y33 L48K23-D31 VanDerWaalsContact CE-CG 3.44Å; K23-D31 VanDerWaalsContact CE-OD1 3.28Å; K23-D31 WeakPolarHBondContact CE-OD1 3.21Å; K23-D31 IonicContact NZ-OD1 3.59Å; K23-D31 PolarHBondContact NZ-OD1 3.34Å; K23-D31 IonicContact NZ-OD2 4Å; K23-D31 PolarHBondContact NZ-OD2 2.68Å; D31-Y33 HydrophobicContact CB-CD2 4.21Å; D31-Y33 HydrophobicContact CB-CE2 3.48Å; D31-Y33 VanDerWaalsContact CB-CE2 3.48Å; D31-L48 PolarHBondContact N-O 3.39Å; D31-L48 VanDerWaalsContact N-O 3.09Å; D31-L48 PolarHBondContact O-N 3.02Å
32I94.1Very high89Confident56 Ų5655.1 Ų55.129%0.28733%0.33SS..EExtended strand (participates in β ladder)trans-111.2130.3176.3-49.2-176.3000108.3I24 G25 A45 I46 K47I24-I32 HydrophobicContact CD1-CG2 3.86Å; I24-I32 HydrophobicContact CG1-CB 4.13Å; I24-I32 HydrophobicContact CG1-CG2 3.73Å; I24-I32 WeakPolarHBondContact CG1-O 3.5Å; I24-I32 PolarHBondContact N-O 3.18Å; G25-I32 PolarHBondContact N-O 3.32Å; G25-I32 VanDerWaalsContact N-O 3.11Å; G25-I32 PolarHBondContact O-N 3.21Å; I32-A45 HydrophobicContact CG2-CB 4.26Å; I32-I46 WeakPolarHBondContact CA-O 3.35Å; I32-K47 HydrophobicContact CG1-CG 4.4Å
33Y94.9Very high89.2Confident24 Ų2457.2 Ų57.29%0.09434%0.342CS..EExtended strand (participates in β ladder)trans-118.6146.1179.5-70.4-103.6000110.7L20 R22 K23 D31 I46 L48L20-Y33 HydrophobicContact CD2-CD1 3.81Å; L20-Y33 HydrophobicContact CD2-CD2 4.29Å; L20-Y33 HydrophobicContact CD2-CE1 4.21Å; L20-Y33 HydrophobicContact CD2-CG 3.88Å; L20-Y33 HydrophobicContact CG-CD1 4.41Å; L20-Y33 HydrophobicContact CG-CG 4.34Å; R22-Y33 VanDerWaalsContact C-CD1 3.46Å; R22-Y33 CarbonylContact O-C 3.55Å; R22-Y33 VanDerWaalsContact O-CA 3.24Å; R22-Y33 WeakPolarHBondContact O-CA 3.1Å; R22-Y33 WeakPolarHBondContact O-CB 3.43Å; K23-Y33 HydrophobicContact CB-CD1 4.01Å; K23-Y33 HydrophobicContact CB-CE1 3.72Å; K23-Y33 HydrophobicContact CG-CE1 4.33Å; D31-Y33 HydrophobicContact CB-CD2 4.21Å; D31-Y33 HydrophobicContact CB-CE2 3.48Å; D31-Y33 VanDerWaalsContact CB-CE2 3.48Å; Y33-I46 PolarHBondContact N-O 3.09Å; Y33-I46 PolarHBondContact O-N 3.09Å; Y33-L48 HydrophobicContact CD2-CD1 3.78Å; Y33-L48 HydrophobicContact CD2-CG 4.24Å; Y33-L48 HydrophobicContact CE2-CD1 3.84Å
34L96.1Very high89.4Confident7 Ų752.9 Ų52.94%0.03732%0.324CS..EExtended strand (participates in β ladder)trans-67.8128158.417964.7000107.4V21 R22 I24 E43 L96 Y359V21-L34 HydrophobicContact CB-CB 4.36Å; V21-L34 HydrophobicContact CB-CD2 4.3Å; V21-L34 HydrophobicContact CB-CG 4.21Å; V21-L34 WeakPolarHBondContact CB-O 3.41Å; V21-L34 HydrophobicContact CG1-CD2 4.25Å; V21-L34 HydrophobicContact CG2-CG 4.43Å; V21-L34 PolarHBondContact N-O 3.3Å; R22-L34 HydrophobicContact CG-CB 4.09Å; R22-L34 HydrophobicContact CG-CD2 4.26Å; R22-L34 PolarHBondContact N-O 3.17Å; R22-L34 PolarHBondContact O-N 2.63Å; I24-L34 HydrophobicContact CG2-CB 3.64Å; L34-E43 HydrophobicContact CD1-CB 3.97Å; L34-E43 HydrophobicContact CD1-CG 4.27Å; L34-L96 HydrophobicContact CD1-CD1 4.28Å; L34-L96 HydrophobicContact CD1-CD2 3.63Å; L34-Y359 HydrophobicContact CD2-CD1 4.31Å; L34-Y359 HydrophobicContact CD2-CE1 3.96Å
35G96.2Very high89.6Confident0 Ų051.9 Ų51.90%032%0.32CS..EExtended strand (participates in β ladder)trans-118.8162.5169.500000111.2R19 E43 V44R19-G35 CarbonylContact O-C 3.54Å; R19-G35 WeakPolarHBondContact O-CA 3.46Å; G35-E43 WeakPolarHBondContact O-CA 3.35Å; G35-V44 PolarHBondContact N-O 3.14Å; G35-V44 WeakPolarHBondContact O-CG2 3.45Å; G35-V44 PolarHBondContact O-N 2.93Å
36Q97Very high90Very high66 Ų6650.6 Ų50.631%0.30831%0.307SS..EExtended strand (participates in β ladder)trans-129.4130.4174.5-167.9175.636.300110W18 R19 V21 M38 G41 D42W18-Q36 CarbonylContact C-O 3.02Å; W18-Q36 VanDerWaalsContact CA-O 3.3Å; W18-Q36 WeakPolarHBondContact CA-O 3.33Å; R19-Q36 PolarHBondContact N-O 3.34Å; R19-Q36 PolarHBondContact O-N 3Å; V21-Q36 HydrophobicContact CG2-CB 4.09Å; Q36-M38 PolarHBondContact O-N 3.24Å; Q36-G41 WeakPolarHBondContact CG-O 3.26Å; Q36-G41 PolarHBondContact NE2-O 3.32Å; Q36-G41 VanDerWaalsContact NE2-O 3.09Å; Q36-D42 CarbonylContact C-O 3.5Å; Q36-D42 WeakPolarHBondContact CA-O 3.32Å
37N97Very high90.7Very high28 Ų2848.9 Ų48.915%0.1528%0.283CS..EExtended strand (participates in β ladder)trans-67.2119170.3-175.4-23.7000109.1L39 T40 G41 D42N37-L39 PolarHBondContact O-N 3.19Å; N37-L39 PolarHBondContact OD1-N 3.5Å; N37-T40 WeakPolarHBondContact CB-OG1 3.45Å; N37-T40 PolarHBondContact ND2-OG1 3.34Å; N37-T40 VanDerWaalsContact ND2-OG1 3.11Å; N37-G41 VanDerWaalsContact O-CA 3.29Å; N37-G41 WeakPolarHBondContact O-CA 3.39Å; N37-G41 PolarHBondContact O-N 3.22Å; N37-D42 HydrophobicContact CB-CB 4.34Å; N37-D42 PolarHBondContact N-O 3.24Å
38M94.7Very high92Very high87 Ų8746.5 Ų46.543%0.42926%0.258SS..THydrogen-bonded Turntrans-66.9-21-175.3-74.1-59.1-50.500114.3L13 K17 R19 Q36L13-M38 HydrophobicContact CD1-CG 3.76Å; K17-M38 VanDerWaalsContact O-CB 3.31Å; K17-M38 WeakPolarHBondContact O-CB 3.5Å; K17-M38 WeakPolarHBondContact O-CG 3.42Å; K17-M38 PolarHBondContact O-N 3.23Å; R19-M38 HydrophobicContact CB-CG 4.24Å; R19-M38 HydrophobicContact CB-SD 3.68Å; R19-M38 PolarHBondContact NE-SD 3.03Å; R19-M38 VanDerWaalsContact NE-SD 3.41Å; R19-M38 PolarHBondContact NH2-SD 2.96Å; Q36-M38 PolarHBondContact O-N 3.24Å
39L94.9Very high93.4Very high158 Ų15842.2 Ų42.283%0.82723%0.228SC*.THydrogen-bonded Turntrans-91.5-46180-177.865.2000111.9N37N37-L39 PolarHBondContact O-N 3.19Å; N37-L39 PolarHBondContact OD1-N 3.5Å
40T96.2Very high94.6Very high77 Ų7742.1 Ų42.147%0.47223%0.232SC..THydrogen-bonded Turntrans-98.2-18.4-172.661.20000113.6N37 D42N37-T40 WeakPolarHBondContact CB-OG1 3.45Å; N37-T40 PolarHBondContact ND2-OG1 3.34Å; N37-T40 VanDerWaalsContact ND2-OG1 3.11Å; T40-D42 VanDerWaalsContact CB-OD2 3.24Å; T40-D42 WeakPolarHBondContact CB-OD2 3.05Å; T40-D42 PolarHBondContact O-N 2.97Å; T40-D42 PolarHBondContact OG1-N 3.39Å; T40-D42 PolarHBondContact OG1-OD2 3.37Å
41G94.7Very high95.1Very high34 Ų3445.2 Ų45.235%0.35125%0.248SC..  trans80.7-6.6-172.300000114.1Q36 N37Q36-G41 WeakPolarHBondContact CG-O 3.26Å; Q36-G41 PolarHBondContact NE2-O 3.32Å; Q36-G41 VanDerWaalsContact NE2-O 3.09Å; N37-G41 VanDerWaalsContact O-CA 3.29Å; N37-G41 WeakPolarHBondContact O-CA 3.39Å; N37-G41 PolarHBondContact O-N 3.22Å
42D95.9Very high95.2Very high98 Ų9848.7 Ų48.752%0.52427%0.271SS..  trans-60.8136.6-177.1-60.1-36.6000112Q36 N37 T40Q36-D42 CarbonylContact C-O 3.5Å; Q36-D42 WeakPolarHBondContact CA-O 3.32Å; N37-D42 HydrophobicContact CB-CB 4.34Å; N37-D42 PolarHBondContact N-O 3.24Å; T40-D42 VanDerWaalsContact CB-OD2 3.24Å; T40-D42 WeakPolarHBondContact CB-OD2 3.05Å; T40-D42 PolarHBondContact O-N 2.97Å; T40-D42 PolarHBondContact OG1-N 3.39Å; T40-D42 PolarHBondContact OG1-OD2 3.37Å
43E97.3Very high95Very high101 Ų10147.5 Ų47.547%0.47227%0.27SS..EExtended strand (participates in β ladder)trans-81.2141.5174.9-63.6-170.5132.300111.6L34 G35 L96L34-E43 HydrophobicContact CD1-CB 3.97Å; L34-E43 HydrophobicContact CD1-CG 4.27Å; G35-E43 WeakPolarHBondContact O-CA 3.35Å; E43-L96 HydrophobicContact CB-CD2 3.8Å
44V97.6Very high94.8Very high5 Ų557 Ų573%0.0331%0.305CS..EExtended strand (participates in β ladder)trans-138.2158.1-178.5-65.80000110.9W18 G35 I46 Y78 V93 M94W18-V44 HydrophobicContact CB-CG2 4.49Å; W18-V44 HydrophobicContact CG-CG2 4.21Å; G35-V44 PolarHBondContact N-O 3.14Å; G35-V44 WeakPolarHBondContact O-CG2 3.45Å; G35-V44 PolarHBondContact O-N 2.93Å; V44-I46 HydrophobicContact CG2-CD1 4.4Å; V44-I46 HydrophobicContact CG2-CG1 4.05Å; V44-Y78 HydrophobicContact CG1-CD2 4.18Å; V44-Y78 HydrophobicContact CG1-CE2 4.16Å; V44-V93 HydrophobicContact CB-CG1 3.9Å; V44-V93 HydrophobicContact CG1-CG1 4.17Å; V44-V93 HydrophobicContact CG2-CG1 3.74Å; V44-M94 WeakPolarHBondContact CB-O 3.37Å
45A97Very high94.4Very high10 Ų1062.8 Ų62.88%0.08333%0.332CS..EExtended strand (participates in β ladder)trans-91.6133.616500000110.1I32 V93 M94 L96I32-A45 HydrophobicContact CG2-CB 4.26Å; A45-V93 WeakPolarHBondContact O-CA 3.12Å; A45-M94 HydrophobicContact CB-CG 4.04Å; A45-M94 PolarHBondContact N-O 3.09Å; A45-M94 PolarHBondContact O-N 3.09Å; A45-L96 HydrophobicContact CB-CD1 4.23Å
46I95.8Very high94.2Very high0 Ų066.4 Ų66.40%036%0.355CS..EExtended strand (participates in β ladder)trans-118.8107.1176.7-52.2-176.4000108.8I14 W18 L20 I32 Y33 V44 L48 M92 V93I14-I46 HydrophobicContact CG1-CD1 4.28Å; I14-I46 HydrophobicContact CG1-CG2 4.36Å; W18-I46 HydrophobicContact CB-CD1 3.99Å; L20-I46 HydrophobicContact CD1-CD1 3.92Å; L20-I46 HydrophobicContact CD1-CG2 4.39Å; I32-I46 WeakPolarHBondContact CA-O 3.35Å; Y33-I46 PolarHBondContact N-O 3.09Å; Y33-I46 PolarHBondContact O-N 3.09Å; V44-I46 HydrophobicContact CG2-CD1 4.4Å; V44-I46 HydrophobicContact CG2-CG1 4.05Å; I46-L48 HydrophobicContact CG2-CD2 3.77Å; I46-L48 HydrophobicContact CG2-CG 4.16Å; I46-M92 CarbonylContact C-O 3.41Å; I46-M92 WeakPolarHBondContact CA-O 3.29Å; I46-V93 HydrophobicContact CG1-CG1 4.49Å; I46-V93 HydrophobicContact CG1-CG2 4.23Å; I46-V93 HydrophobicContact CG2-CG2 4.45Å
47K95Very high94Very high20 Ų2064.7 Ų64.79%0.08735%0.347CS..EExtended strand (participates in β ladder)trans-87.3126.6173.9-169.5170.2-175.6-178.40109.3I32 L58 E61 A91 M92 D161I32-K47 HydrophobicContact CG1-CG 4.4Å; K47-L58 HydrophobicContact CB-CD1 4.2Å; K47-L58 HydrophobicContact CD-CD1 3.6Å; K47-L58 HydrophobicContact CG-CD1 3.77Å; K47-E61 IonicContact NZ-OE1 2.95Å; K47-E61 PolarHBondContact NZ-OE1 3.4Å; K47-E61 IonicContact NZ-OE2 3.95Å; K47-E61 PolarHBondContact NZ-OE2 3.25Å; K47-A91 WeakPolarHBondContact O-CA 3.49Å; K47-M92 HydrophobicContact CB-CB 4.47Å; K47-M92 HydrophobicContact CD-CE 4.31Å; K47-M92 PolarHBondContact N-O 2.94Å; K47-M92 PolarHBondContact O-N 3.39Å; K47-D161 IonicContact NZ-OD1 3.4Å; K47-D161 PolarHBondContact NZ-OD1 3.4Å; K47-D161 VanDerWaalsContact NZ-OD1 3.08Å
48L94.3Very high93.9Very high4 Ų463.4 Ų63.42%0.02134%0.34CS..EExtended strand (participates in β ladder)trans-118.9126.2-177.9-62.5-176.5000111.4L8 L20 G30 D31 Y33 I46 Y89 K90 A91L8-L48 HydrophobicContact CD1-CD1 3.35Å; L20-L48 HydrophobicContact CD2-CD1 3.81Å; G30-L48 WeakPolarHBondContact CA-O 3.48Å; D31-L48 PolarHBondContact N-O 3.39Å; D31-L48 VanDerWaalsContact N-O 3.09Å; D31-L48 PolarHBondContact O-N 3.02Å; Y33-L48 HydrophobicContact CD2-CD1 3.78Å; Y33-L48 HydrophobicContact CD2-CG 4.24Å; Y33-L48 HydrophobicContact CE2-CD1 3.84Å; I46-L48 HydrophobicContact CG2-CD2 3.77Å; I46-L48 HydrophobicContact CG2-CG 4.16Å; L48-Y89 HydrophobicContact CB-CD1 4.25Å; L48-K90 WeakPolarHBondContact CA-O 3.16Å; L48-A91 HydrophobicContact CD2-CB 3.35Å
49E94.1Very high93.9Very high3 Ų362.2 Ų62.21%0.01434%0.336CS..EExtended strand (participates in β ladder)trans-118124.3175.5178.6-177.383.700109.5V51 A53 P56 Q57 L58 Y89 K90E49-V51 PolarHBondContact O-N 2.73Å; E49-A53 HydrophobicContact CG-CB 3.98Å; E49-P56 WeakPolarHBondContact OE1-CB 3.49Å; E49-P56 WeakPolarHBondContact OE2-CA 3.46Å; E49-Q57 PolarHBondContact OE2-N 3.49Å; E49-L58 HydrophobicContact CB-CB 3.83Å; E49-L58 HydrophobicContact CB-CD2 3.77Å; E49-L58 HydrophobicContact CB-CG 4.41Å; E49-L58 HydrophobicContact CG-CB 4.36Å; E49-L58 PolarHBondContact OE1-N 3.45Å; E49-L58 PolarHBondContact OE2-N 2.72Å; E49-Y89 CarbonylContact O-C 3.5Å; E49-Y89 VanDerWaalsContact O-CA 3.25Å; E49-Y89 WeakPolarHBondContact O-CA 3.15Å; E49-K90 PolarHBondContact N-O 2.97Å; E49-K90 PolarHBondContact O-N 3.4Å
50P92.9Very high94Very high43 Ų4359 Ų5928%0.27931%0.313SS..EExtended strand (participates in β ladder)trans-57.4137.2173.8-20.529.5000111.4T52 A53 R88 Y89P50-T52 PolarHBondContact O-N 3.4Å; P50-T52 VanDerWaalsContact O-N 3.1Å; P50-A53 WeakPolarHBondContact O-CB 3.11Å; P50-A53 PolarHBondContact O-N 2.61Å; P50-R88 WeakPolarHBondContact CA-O 3.34Å; P50-Y89 HydrophobicContact CB-CD1 4.29Å; P50-Y89 HydrophobicContact CB-CE1 4.19Å; P50-Y89 HydrophobicContact CG-CD1 4.13Å; P50-Y89 HydrophobicContact CG-CE1 3.82Å
51V91.3Very high94Very high77 Ų7755.5 Ų55.547%0.46729%0.291SS..THydrogen-bonded Turntrans-62.2-21.3175.6-62.50000112.6E49 A53 R88 K90E49-V51 PolarHBondContact O-N 2.73Å; V51-A53 VanDerWaalsContact C-N 3.35Å; V51-R88 WeakPolarHBondContact CG2-O 3.28Å; V51-R88 PolarHBondContact N-O 2.95Å; V51-K90 HydrophobicContact CG1-CG 4.45Å
52T92.3Very high94.1Very high124 Ų12454 Ų5476%0.76128%0.275SS*.THydrogen-bonded Turntrans-90.49.217661.30000113.4P50 R54P50-T52 PolarHBondContact O-N 3.4Å; P50-T52 VanDerWaalsContact O-N 3.1Å; T52-R54 PolarHBondContact O-N 3.43Å
53A90.7Very high94.2Very high31 Ų3156.5 Ų56.526%0.25628%0.278SS..  trans-56.6132.117800000110.4E49 P50 V51 H55 P56E49-A53 HydrophobicContact CG-CB 3.98Å; P50-A53 WeakPolarHBondContact O-CB 3.11Å; P50-A53 PolarHBondContact O-N 2.61Å; V51-A53 VanDerWaalsContact C-N 3.35Å; A53-H55 PolarHBondContact O-N 3.24Å; A53-P56 WeakPolarHBondContact O-CD 3.32Å
54R89.3Confident94.2Very high223 Ų22352 Ų5284%0.84226%0.257SS*.SBendtrans-61.3-32.5-178-173.1-179178.9177.5-0.4112.8T52T52-R54 PolarHBondContact O-N 3.43Å
55H88.8Confident94.2Very high129 Ų12952 Ų5260%0.59726%0.256SS*.SBendtrans-134.678.9-179.8-59.7-58.1000108.9A53A53-H55 PolarHBondContact O-N 3.24Å
56P91.9Very high94.1Very high76 Ų7659.1 Ų59.149%0.49428%0.281SS..  trans-70.2132.5-17629.1-33.1000110.9E49 A53E49-P56 WeakPolarHBondContact OE1-CB 3.49Å; E49-P56 WeakPolarHBondContact OE2-CA 3.46Å; A53-P56 WeakPolarHBondContact O-CD 3.32Å
57Q92.8Very high94.1Very high30 Ų3061.2 Ų61.214%0.1429%0.294CS..  trans-126.8-25.5-176-67.5-176.6-4.900112.9F29 E49 L59 Y60 E61F29-Q57 HydrophobicContact CD1-CG 4.46Å; F29-Q57 VanDerWaalsContact CG-OE1 3.24Å; E49-Q57 PolarHBondContact OE2-N 3.49Å; Q57-L59 VanDerWaalsContact C-N 3.28Å; Q57-L59 PolarHBondContact O-N 3.29Å; Q57-L59 VanDerWaalsContact O-N 3.15Å; Q57-Y60 WeakPolarHBondContact O-CA 3.08Å; Q57-Y60 WeakPolarHBondContact O-CB 2.99Å; Q57-Y60 PolarHBondContact O-N 3.03Å; Q57-E61 PolarHBondContact O-N 3.05Å
58L94.7Very high94.2Very high1 Ų160.3 Ų60.31%0.00529%0.29CS..Hα-helixtrans-60.7-34.4-168.8-166.666.1000113.5K47 E49 E61 S62 F80 K90 M92K47-L58 HydrophobicContact CB-CD1 4.2Å; K47-L58 HydrophobicContact CD-CD1 3.6Å; K47-L58 HydrophobicContact CG-CD1 3.77Å; E49-L58 HydrophobicContact CB-CB 3.83Å; E49-L58 HydrophobicContact CB-CD2 3.77Å; E49-L58 HydrophobicContact CB-CG 4.41Å; E49-L58 HydrophobicContact CG-CB 4.36Å; E49-L58 PolarHBondContact OE1-N 3.45Å; E49-L58 PolarHBondContact OE2-N 2.72Å; L58-E61 PolarHBondContact O-N 3.48Å; L58-S62 WeakPolarHBondContact O-CB 3.4Å; L58-S62 PolarHBondContact O-N 2.77Å; L58-F80 HydrophobicContact CB-CE2 4.49Å; L58-F80 HydrophobicContact CD2-CE2 4.23Å; L58-F80 HydrophobicContact CG-CE2 3.96Å; L58-K90 HydrophobicContact CD2-CB 4.12Å; L58-K90 WeakPolarHBondContact CD2-O 3.13Å; L58-M92 HydrophobicContact CD1-CB 4.08Å; L58-M92 HydrophobicContact CD1-CE 3.87Å; L58-M92 HydrophobicContact CD1-SD 4.34Å; L58-M92 HydrophobicContact CD2-CB 4.26Å; L58-M92 HydrophobicContact CG-CB 4.29Å
59L95.5Very high94.1Very high63 Ų6364.9 Ų64.933%0.3331%0.311SS..Hα-helixtrans-62.6-44.8173.6174.863.8000111.8Q57 S62 R63 F80Q57-L59 VanDerWaalsContact C-N 3.28Å; Q57-L59 PolarHBondContact O-N 3.29Å; Q57-L59 VanDerWaalsContact O-N 3.15Å; L59-S62 PolarHBondContact O-OG 2.98Å; L59-R63 WeakPolarHBondContact O-CG 3.47Å; L59-R63 PolarHBondContact O-N 2.81Å; L59-F80 HydrophobicContact CB-CZ 3.92Å; L59-F80 HydrophobicContact CD1-CD1 4.44Å; L59-F80 HydrophobicContact CD1-CE1 3.45Å; L59-F80 VanDerWaalsContact CD1-CE1 3.45Å; L59-F80 HydrophobicContact CD1-CZ 3.74Å; L59-F80 HydrophobicContact CG-CZ 4.45Å
60Y96.3Very high93.9Very high91 Ų9170.5 Ų70.536%0.35734%0.341SS..Hα-helixtrans-65.9-46.8177.8175.4-98.3000110.6Q57 S62 R63 V64 A165Q57-Y60 WeakPolarHBondContact O-CA 3.08Å; Q57-Y60 WeakPolarHBondContact O-CB 2.99Å; Q57-Y60 PolarHBondContact O-N 3.03Å; Y60-S62 VanDerWaalsContact C-N 3.32Å; Y60-S62 PolarHBondContact O-N 2.89Å; Y60-R63 WeakPolarHBondContact O-CA 3.41Å; Y60-R63 WeakPolarHBondContact O-CB 3.48Å; Y60-R63 PolarHBondContact O-N 3.3Å; Y60-V64 HydrophobicContact CD1-CG2 4.02Å; Y60-V64 HydrophobicContact CE1-CG2 3.5Å; Y60-V64 HydrophobicContact CE2-CG2 4.35Å; Y60-V64 PolarHBondContact O-N 3Å; Y60-A165 VanDerWaalsContact CE1-O 3.24Å; Y60-A165 WeakPolarHBondContact CE1-O 3.35Å; Y60-A165 PolarHBondContact OH-O 3.04Å; Y60-A165 VanDerWaalsContact OH-O 3.12Å
61E96.7Very high93.9Very high2 Ų269.1 Ų69.11%0.00933%0.332CS..Hα-helixtrans-55.1-45.6176.7-172.8179.2-177.900111.8K47 Q57 L58 R63 V64 Y65 M92 F162K47-E61 IonicContact NZ-OE1 2.95Å; K47-E61 PolarHBondContact NZ-OE1 3.4Å; K47-E61 IonicContact NZ-OE2 3.95Å; K47-E61 PolarHBondContact NZ-OE2 3.25Å; Q57-E61 PolarHBondContact O-N 3.05Å; L58-E61 PolarHBondContact O-N 3.48Å; E61-R63 PolarHBondContact O-N 3.35Å; E61-V64 WeakPolarHBondContact O-CA 3.42Å; E61-V64 WeakPolarHBondContact O-CB 3.49Å; E61-V64 PolarHBondContact O-N 2.9Å; E61-Y65 HydrophobicContact CG-CD2 3.99Å; E61-Y65 HydrophobicContact CG-CE2 3.82Å; E61-Y65 WeakPolarHBondContact O-CD2 3.29Å; E61-Y65 PolarHBondContact O-N 2.97Å; E61-M92 HydrophobicContact CG-CE 4.37Å; E61-F162 HydrophobicContact CG-CB 4.14Å
62S96.3Very high93.8Very high2 Ų266.9 Ų66.91%0.01432%0.32CS..Hα-helixtrans-59.5-34.1176.677.70000113L58 L59 Y60 R66L58-S62 WeakPolarHBondContact O-CB 3.4Å; L58-S62 PolarHBondContact O-N 2.77Å; L59-S62 PolarHBondContact O-OG 2.98Å; Y60-S62 VanDerWaalsContact C-N 3.32Å; Y60-S62 PolarHBondContact O-N 2.89Å; S62-R66 WeakPolarHBondContact O-CG 3.45Å; S62-R66 PolarHBondContact O-N 2.94Å; S62-R66 VanDerWaalsContact O-N 3.17Å
63R97Very high94Very high152 Ų15261.1 Ų61.157%0.57429%0.286SS*.Hα-helixtrans-73.6-35.2175.8-66.9173.5178.6-174.1-1.3111.4L59 Y60 E61 R66 V67L59-R63 WeakPolarHBondContact O-CG 3.47Å; L59-R63 PolarHBondContact O-N 2.81Å; Y60-R63 WeakPolarHBondContact O-CA 3.41Å; Y60-R63 WeakPolarHBondContact O-CB 3.48Å; Y60-R63 PolarHBondContact O-N 3.3Å; E61-R63 PolarHBondContact O-N 3.35Å; R63-R66 PolarHBondContact O-N 3.26Å; R63-V67 WeakPolarHBondContact O-CG2 3.26Å; R63-V67 PolarHBondContact O-N 3.45Å; R63-V67 VanDerWaalsContact O-N 3.16Å
64V97.7Very high94.3Very high5 Ų560.5 Ų60.53%0.0328%0.279CS..Hα-helixtrans-63.9-46.3173.7175.90000110.1Y60 E61 R66 V67 L68 L136 F162 A165Y60-V64 HydrophobicContact CD1-CG2 4.02Å; Y60-V64 HydrophobicContact CE1-CG2 3.5Å; Y60-V64 HydrophobicContact CE2-CG2 4.35Å; Y60-V64 PolarHBondContact O-N 3Å; E61-V64 WeakPolarHBondContact O-CA 3.42Å; E61-V64 WeakPolarHBondContact O-CB 3.49Å; E61-V64 PolarHBondContact O-N 2.9Å; V64-R66 VanDerWaalsContact C-N 3.29Å; V64-R66 PolarHBondContact O-N 3Å; V64-V67 WeakPolarHBondContact O-CA 3.5Å; V64-V67 WeakPolarHBondContact O-CB 3.44Å; V64-V67 PolarHBondContact O-N 2.95Å; V64-L68 HydrophobicContact CG1-CD1 3.86Å; V64-L68 HydrophobicContact CG1-CG 4.28Å; V64-L68 WeakPolarHBondContact O-CG 3.28Å; V64-L68 PolarHBondContact O-N 3.49Å; V64-L136 HydrophobicContact CG1-CD1 3.78Å; V64-F162 HydrophobicContact CB-CB 4.06Å; V64-F162 HydrophobicContact CG1-CB 3.63Å; V64-F162 HydrophobicContact CG1-CD1 4.01Å; V64-F162 HydrophobicContact CG1-CG 3.82Å; V64-A165 HydrophobicContact CG1-CB 4.22Å; V64-A165 HydrophobicContact CG2-CB 4.39Å
65Y97.6Very high94.6Very high7 Ų750 Ų503%0.02724%0.239CC..Hα-helixtrans-55.8-41.4173.9-87.2-69.3000112.9E61 V67 L68 Q69 V74 P75 V77 M92 M94 V160 F162E61-Y65 HydrophobicContact CG-CD2 3.99Å; E61-Y65 HydrophobicContact CG-CE2 3.82Å; E61-Y65 WeakPolarHBondContact O-CD2 3.29Å; E61-Y65 PolarHBondContact O-N 2.97Å; Y65-V67 VanDerWaalsContact C-N 3.32Å; Y65-V67 PolarHBondContact O-N 2.74Å; Y65-L68 CarbonylContact O-C 3.54Å; Y65-L68 PolarHBondContact O-N 3.33Å; Y65-L68 VanDerWaalsContact O-N 3.14Å; Y65-Q69 PolarHBondContact O-N 3.09Å; Y65-V74 HydrophobicContact CD1-CG1 3.69Å; Y65-V74 HydrophobicContact CE1-CG1 3.76Å; Y65-P75 HydrophobicContact CE1-CG 3.88Å; Y65-V77 VanDerWaalsContact CB-CG2 3.49Å; Y65-V77 HydrophobicContact CD1-CG2 3.95Å; Y65-V77 HydrophobicContact CD2-CG2 3.92Å; Y65-V77 HydrophobicContact CG-CG2 3.52Å; Y65-M92 HydrophobicContact CD2-CE 3.92Å; Y65-M92 HydrophobicContact CD2-SD 4.04Å; Y65-M92 HydrophobicContact CE2-CE 3.75Å; Y65-M92 HydrophobicContact CE2-SD 4.49Å; Y65-M94 HydrophobicContact CE1-CE 4.01Å; Y65-M94 HydrophobicContact CE2-CE 4.24Å; Y65-M94 WeakPolarHBondContact OH-CE 3.19Å; Y65-V160 WeakPolarHBondContact OH-CA 3.26Å; Y65-F162 HydrophobicContact CD1-CD2 4.28Å; Y65-F162 HydrophobicContact CD1-CE2 4.29Å; Y65-F162 HydrophobicContact CD2-CD2 4.32Å; Y65-F162 AromaticContact CE1-CD2 3.78Å; Y65-F162 HydrophobicContact CE1-CD2 3.78Å; Y65-F162 AromaticContact CE1-CE2 3.67Å; Y65-F162 HydrophobicContact CE1-CE2 3.67Å; Y65-F162 AromaticContact CE2-CD2 3.83Å; Y65-F162 HydrophobicContact CE2-CD2 3.83Å; Y65-F162 AromaticContact CZ-CD2 3.52Å; Y65-F162 AromaticContact CZ-CE2 3.81Å
66R95.9Very high95Very high158 Ų15850.9 Ų50.960%0.59624%0.237SC*.Hα-helixtrans-61.3-37.6174.4-71.2176.9-173.1-161.31.1113S62 R63 V64 L68 Q69S62-R66 WeakPolarHBondContact O-CG 3.45Å; S62-R66 PolarHBondContact O-N 2.94Å; S62-R66 VanDerWaalsContact O-N 3.17Å; R63-R66 PolarHBondContact O-N 3.26Å; V64-R66 VanDerWaalsContact C-N 3.29Å; V64-R66 PolarHBondContact O-N 3Å; R66-L68 VanDerWaalsContact C-N 3.3Å; R66-Q69 WeakPolarHBondContact O-CB 3.39Å; R66-Q69 PolarHBondContact O-N 3.26Å
67V95.6Very high95.2Very high44 Ų4448.8 Ų48.827%0.26722%0.223SC..Hα-helixtrans-68.8-32.8175.8172.50000111.4R63 V64 Y65 R134 L136R63-V67 WeakPolarHBondContact O-CG2 3.26Å; R63-V67 PolarHBondContact O-N 3.45Å; R63-V67 VanDerWaalsContact O-N 3.16Å; V64-V67 WeakPolarHBondContact O-CA 3.5Å; V64-V67 WeakPolarHBondContact O-CB 3.44Å; V64-V67 PolarHBondContact O-N 2.95Å; Y65-V67 VanDerWaalsContact C-N 3.32Å; Y65-V67 PolarHBondContact O-N 2.74Å; V67-R134 HydrophobicContact CG1-CB 4.28Å; V67-R134 WeakPolarHBondContact O-CD 3.44Å; V67-L136 HydrophobicContact CB-CD1 4.39Å; V67-L136 HydrophobicContact CG1-CD1 3.92Å
68L96.8Very high95.3Very high1 Ų152 Ų521%0.00524%0.235CC..THydrogen-bonded Turntrans-900.6179.8-62.4179.5000113.4V64 Y65 R66 S71 V74 V131 R134 L136 F162V64-L68 HydrophobicContact CG1-CD1 3.86Å; V64-L68 HydrophobicContact CG1-CG 4.28Å; V64-L68 WeakPolarHBondContact O-CG 3.28Å; V64-L68 PolarHBondContact O-N 3.49Å; Y65-L68 CarbonylContact O-C 3.54Å; Y65-L68 PolarHBondContact O-N 3.33Å; Y65-L68 VanDerWaalsContact O-N 3.14Å; R66-L68 VanDerWaalsContact C-N 3.3Å; L68-S71 WeakPolarHBondContact O-CB 3.41Å; L68-S71 PolarHBondContact O-N 2.97Å; L68-S71 PolarHBondContact O-OG 3.17Å; L68-V74 HydrophobicContact CB-CG1 3.95Å; L68-V74 HydrophobicContact CB-CG2 4.29Å; L68-V131 HydrophobicContact CD1-CG2 4.24Å; L68-V131 HydrophobicContact CD2-CG2 4.4Å; L68-R134 HydrophobicContact CD2-CB 3.62Å; L68-R134 HydrophobicContact CD2-CG 3.72Å; L68-L136 HydrophobicContact CD1-CD1 4.5Å; L68-L136 HydrophobicContact CD2-CD1 3.86Å; L68-L136 HydrophobicContact CG-CD1 4.08Å; L68-F162 HydrophobicContact CD1-CD1 3.89Å; L68-F162 HydrophobicContact CD1-CD2 4.19Å; L68-F162 HydrophobicContact CD1-CE1 3.42Å; L68-F162 VanDerWaalsContact CD1-CE1 3.42Å; L68-F162 HydrophobicContact CD1-CE2 3.77Å; L68-F162 HydrophobicContact CD1-CG 4.25Å; L68-F162 HydrophobicContact CD1-CZ 3.34Å
69Q91.8Very high95.4Very high101 Ų10155.2 Ų55.247%0.47225%0.247SC..THydrogen-bonded Turntrans-54143.3-178.3-170.1175.8-22.300110.8Y65 R66 S71Y65-Q69 PolarHBondContact O-N 3.09Å; R66-Q69 WeakPolarHBondContact O-CB 3.39Å; R66-Q69 PolarHBondContact O-N 3.26Å; Q69-S71 PolarHBondContact O-N 3.44Å; Q69-S71 VanDerWaalsContact O-N 3.17Å
70N89.7Confident95.5Very high120 Ų12054.2 Ų54.264%0.64224%0.24SC*.THydrogen-bonded Turntrans65.33.4-174.3-49.9-26.7000115.4
71S92.6Very high95.4Very high14 Ų1450.3 Ų50.310%0.09823%0.228CC..  trans-76.6132.9172.4-49.30000110L68 Q69 G73 V74 R134L68-S71 WeakPolarHBondContact O-CB 3.41Å; L68-S71 PolarHBondContact O-N 2.97Å; L68-S71 PolarHBondContact O-OG 3.17Å; Q69-S71 PolarHBondContact O-N 3.44Å; Q69-S71 VanDerWaalsContact O-N 3.17Å; S71-G73 PolarHBondContact O-N 3.09Å; S71-V74 PolarHBondContact O-N 2.92Å; S71-R134 PolarHBondContact OG-NE 3.32Å
72S90.5Very high95.3Very high30 Ų3054 Ų5421%0.2125%0.252CS..THydrogen-bonded Turntrans-59.6130.4-179.2-177.10000111.9V74 R127S72-V74 VanDerWaalsContact C-N 3.33Å; S72-R127 WeakPolarHBondContact O-CD 3.4Å
73G95.8Very high94.9Very high3 Ų354 Ų543%0.03125%0.251CS..THydrogen-bonded Turntrans68.527.6-178.200000114.8S71 F158 I159S71-G73 PolarHBondContact O-N 3.09Å; G73-F158 VanDerWaalsContact C-CD1 3.49Å; G73-F158 CarbonylContact O-C 3.58Å; G73-F158 WeakPolarHBondContact O-CA 3.44Å; G73-I159 PolarHBondContact O-N 3.44Å
74V97.3Very high94.1Very high18 Ų1849.3 Ų49.311%0.10925%0.251CS..SBendtrans-110.2122.8161177.90000107.2Y65 L68 S71 S72 I159 F162Y65-V74 HydrophobicContact CD1-CG1 3.69Å; Y65-V74 HydrophobicContact CE1-CG1 3.76Å; L68-V74 HydrophobicContact CB-CG1 3.95Å; L68-V74 HydrophobicContact CB-CG2 4.29Å; S71-V74 PolarHBondContact O-N 2.92Å; S72-V74 VanDerWaalsContact C-N 3.33Å; V74-I159 HydrophobicContact CG2-CG2 4.1Å; V74-F162 HydrophobicContact CG1-CE2 4.3Å
75P96Very high92.9Very high2 Ų252.8 Ų52.81%0.01327%0.272CS..PPolyproline II helixtrans-63.4141.9179.420.4-28.2000111.6Y65 M94 D95 L97 I159 V160Y65-P75 HydrophobicContact CE1-CG 3.88Å; P75-M94 HydrophobicContact CB-CE 3.72Å; P75-M94 HydrophobicContact CG-CE 3.35Å; P75-D95 HydrophobicContact CB-CB 3.81Å; P75-L97 HydrophobicContact CB-CD1 4.12Å; P75-L97 HydrophobicContact CB-CG 4.49Å; P75-L97 HydrophobicContact CG-CD1 3.96Å; P75-I159 WeakPolarHBondContact CD-O 3.42Å; P75-V160 HydrophobicContact CG-CG1 3.86Å
76R96Very high92Very high149 Ų14954.5 Ų54.556%0.56229%0.285SS*.PPolyproline II helixtrans-70.6133.2178.1-175.9176.1179.8179.92.1109.8Y78 M94 D95R76-Y78 HydrophobicContact CG-CD1 4.38Å; R76-Y78 HydrophobicContact CG-CE1 4.12Å; R76-M94 CarbonylContact O-C 3.58Å; R76-M94 WeakPolarHBondContact O-CA 3.43Å; R76-M94 VanDerWaalsContact O-CB 3.24Å; R76-M94 WeakPolarHBondContact O-CB 3.43Å; R76-D95 WeakPolarHBondContact CB-OD2 3.47Å; R76-D95 PolarHBondContact N-OD2 2.96Å; R76-D95 PolarHBondContact O-N 3.3Å
77V96.6Very high91.3Very high32 Ų3251.7 Ų51.719%0.19428%0.281CS..EExtended strand (participates in β ladder)trans-92.5119.7167.1175.30000108.5Y65 M92 V93 M94Y65-V77 VanDerWaalsContact CB-CG2 3.49Å; Y65-V77 HydrophobicContact CD1-CG2 3.95Å; Y65-V77 HydrophobicContact CD2-CG2 3.92Å; Y65-V77 HydrophobicContact CG-CG2 3.52Å; V77-M92 HydrophobicContact CG1-CG 3.82Å; V77-M92 HydrophobicContact CG1-SD 4.3Å; V77-M92 HydrophobicContact CG2-CG 4.25Å; V77-M92 HydrophobicContact CG2-SD 3.97Å; V77-V93 CarbonylContact C-O 3.48Å; V77-M94 HydrophobicContact CG2-CB 4.22Å
78Y96Very high91.1Very high98 Ų9854.7 Ų54.738%0.38429%0.288SS..EExtended strand (participates in β ladder)trans-83.5-38178.8-63.9-67.3000112.3V44 R76 V93 D95V44-Y78 HydrophobicContact CG1-CD2 4.18Å; V44-Y78 HydrophobicContact CG1-CE2 4.16Å; R76-Y78 HydrophobicContact CG-CD1 4.38Å; R76-Y78 HydrophobicContact CG-CE1 4.12Å; Y78-V93 HydrophobicContact CD2-CG1 4.28Å; Y78-V93 PolarHBondContact N-O 3.47Å; Y78-D95 VanDerWaalsContact CE2-OD1 3.23Å; Y78-D95 WeakPolarHBondContact CE2-OD1 3.36Å; Y78-D95 PolarHBondContact OH-OD1 3.3Å
79W96.5Very high90.9Very high68 Ų6856.8 Ų56.826%0.25830%0.296SS..EExtended strand (participates in β ladder)trans-159.6149.5-173.3-175.991000111.7I14 W18 G81 P82 A91 M92 V93I14-W79 HydrophobicContact CG2-CE3 3.93Å; I14-W79 HydrophobicContact CG2-CH2 4.06Å; I14-W79 HydrophobicContact CG2-CZ3 3.42Å; I14-W79 VanDerWaalsContact CG2-CZ3 3.42Å; W18-W79 HydrophobicContact CE3-CB 4.41Å; W18-W79 HydrophobicContact CH2-CB 3.62Å; W18-W79 HydrophobicContact CH2-CG 4.2Å; W18-W79 HydrophobicContact CZ3-CB 3.5Å; W18-W79 HydrophobicContact CZ3-CD2 4.3Å; W18-W79 AromaticContact CZ3-CG 3.7Å; W18-W79 HydrophobicContact CZ3-CG 3.7Å; W79-G81 VanDerWaalsContact CH2-C 3.47Å; W79-G81 VanDerWaalsContact CH2-CA 3.41Å; W79-P82 VanDerWaalsContact CH2-O 3.31Å; W79-P82 WeakPolarHBondContact CH2-O 3.37Å; W79-A91 HydrophobicContact CZ3-CB 3.88Å; W79-A91 WeakPolarHBondContact CZ3-O 3.35Å; W79-M92 WeakPolarHBondContact O-CA 3.27Å; W79-V93 HydrophobicContact CB-CB 4.23Å; W79-V93 HydrophobicContact CB-CG2 4.4Å; W79-V93 HydrophobicContact CE3-CG2 3.98Å; W79-V93 PolarHBondContact N-O 3.05Å; W79-V93 PolarHBondContact O-N 2.95Å
80F96.5Very high91Very high41 Ų4155 Ų5518%0.1829%0.287CS..EExtended strand (participates in β ladder)trans-145.2133.4172.8172.2-90.8000109.9L58 L59 K90 A91 M92L58-F80 HydrophobicContact CB-CE2 4.49Å; L58-F80 HydrophobicContact CD2-CE2 4.23Å; L58-F80 HydrophobicContact CG-CE2 3.96Å; L59-F80 HydrophobicContact CB-CZ 3.92Å; L59-F80 HydrophobicContact CD1-CD1 4.44Å; L59-F80 HydrophobicContact CD1-CE1 3.45Å; L59-F80 VanDerWaalsContact CD1-CE1 3.45Å; L59-F80 HydrophobicContact CD1-CZ 3.74Å; L59-F80 HydrophobicContact CG-CZ 4.45Å; F80-K90 HydrophobicContact CE2-CB 4.4Å; F80-K90 HydrophobicContact CZ-CB 4.44Å; F80-K90 HydrophobicContact CZ-CD 4.29Å; F80-A91 WeakPolarHBondContact CA-O 3.47Å; F80-A91 WeakPolarHBondContact CD2-O 3.45Å; F80-M92 HydrophobicContact CD2-CB 4.03Å; F80-M92 HydrophobicContact CD2-CG 4.34Å
81G95.5Very high91.3Very high10 Ų1049.3 Ų49.310%0.10326%0.256CS..EExtended strand (participates in β ladder)trans175.1-173.9-179.700000113.6W79 A91W79-G81 VanDerWaalsContact CH2-C 3.47Å; W79-G81 VanDerWaalsContact CH2-CA 3.41Å; G81-A91 PolarHBondContact N-O 3.43Å; G81-A91 PolarHBondContact O-N 3.31Å
82P93.1Very high91.4Very high80 Ų8048.6 Ų48.652%0.51925%0.252SS..EExtended strand (participates in β ladder)trans-69.1146.3172.330.2-34.1000111.1W79 G84 Y89W79-P82 VanDerWaalsContact CH2-O 3.31Å; W79-P82 WeakPolarHBondContact CH2-O 3.37Å; P82-G84 PolarHBondContact O-N 3.09Å; P82-Y89 WeakPolarHBondContact CA-O 3.13Å
83D88.4Confident91.7Very high0 Ų047.2 Ų47.20%024%0.242CC..  trans-57.5-20.5-176.264.5-57000114.3I14 V85 S86 N87 R88 Y89I14-D83 HydrophobicContact CD1-CB 3.77Å; D83-V85 PolarHBondContact O-N 3.44Å; D83-S86 PolarHBondContact OD2-N 3.38Å; D83-S86 PolarHBondContact OD2-OG 3.48Å; D83-N87 VanDerWaalsContact OD1-C 3.23Å; D83-N87 WeakPolarHBondContact OD1-CA 3.34Å; D83-N87 PolarHBondContact OD1-N 3.3Å; D83-N87 PolarHBondContact OD2-N 2.82Å; D83-R88 PolarHBondContact OD1-N 2.91Å; D83-Y89 PolarHBondContact N-O 3.39Å; D83-Y89 PolarHBondContact OD1-N 3.42Å
84G79.8Confident91.8Very high55 Ų5547.8 Ų47.857%0.56724%0.244SC*.SBendtrans73.7-23.8173.600000114.4P82 N87P82-G84 PolarHBondContact O-N 3.09Å; G84-N87 VanDerWaalsContact CA-OD1 3.31Å; G84-N87 WeakPolarHBondContact CA-OD1 3.33Å; G84-N87 PolarHBondContact N-OD1 2.86Å
85V74Confident91.7Very high78 Ų7848.9 Ų48.947%0.47325%0.249SC..SBendtrans-82.3-52.2177.8-178.60000111A12 D83A12-V85 HydrophobicContact CB-CB 4.49Å; A12-V85 HydrophobicContact CB-CG1 4.41Å; A12-V85 HydrophobicContact CB-CG2 3.97Å; D83-V85 PolarHBondContact O-N 3.44Å
86S77Confident91.8Very high42 Ų4249.3 Ų49.329%0.29425%0.251SS..SBendtrans-117.2-12.2178.469.20000113.7D83 R88D83-S86 PolarHBondContact OD2-N 3.38Å; D83-S86 PolarHBondContact OD2-OG 3.48Å; S86-R88 WeakPolarHBondContact O-CG 3.45Å; S86-R88 PolarHBondContact O-N 2.7Å; S86-R88 VanDerWaalsContact O-N 3.09Å; S86-R88 WeakPolarHBondContact OG-CB 3.44Å; S86-R88 PolarHBondContact OG-N 3.1Å; S86-R88 PolarHBondContact OG-NE 3.09Å
87N82.9Confident91.8Very high99 Ų9943 Ų4353%0.52923%0.229SC..SBendtrans5125.6-169.1-68.2-27.8000113.3D83 G84D83-N87 VanDerWaalsContact OD1-C 3.23Å; D83-N87 WeakPolarHBondContact OD1-CA 3.34Å; D83-N87 PolarHBondContact OD1-N 3.3Å; D83-N87 PolarHBondContact OD2-N 2.82Å; G84-N87 VanDerWaalsContact CA-OD1 3.31Å; G84-N87 WeakPolarHBondContact CA-OD1 3.33Å; G84-N87 PolarHBondContact N-OD1 2.86Å
88R89.7Confident91.8Very high108 Ų10841.7 Ų41.741%0.40822%0.222SC..  trans-95.6-8.5177.1-62.8-172.3-63.8174.7-0.4112.4P50 V51 D83 S86P50-R88 WeakPolarHBondContact CA-O 3.34Å; V51-R88 WeakPolarHBondContact CG2-O 3.28Å; V51-R88 PolarHBondContact N-O 2.95Å; D83-R88 PolarHBondContact OD1-N 2.91Å; S86-R88 WeakPolarHBondContact O-CG 3.45Å; S86-R88 PolarHBondContact O-N 2.7Å; S86-R88 VanDerWaalsContact O-N 3.09Å; S86-R88 WeakPolarHBondContact OG-CB 3.44Å; S86-R88 PolarHBondContact OG-N 3.1Å; S86-R88 PolarHBondContact OG-NE 3.09Å
89Y92.5Very high91.7Very high45 Ų4537.1 Ų37.118%0.17620%0.204CC..EExtended strand (participates in β ladder)trans-132.3145.5-178.2-60.4-95.2000111.1L8 L48 E49 P50 P82 D83L8-Y89 HydrophobicContact CD1-CD1 4.48Å; L8-Y89 HydrophobicContact CD1-CD2 3.45Å; L8-Y89 VanDerWaalsContact CD1-CD2 3.45Å; L8-Y89 HydrophobicContact CD1-CE2 3.61Å; L8-Y89 HydrophobicContact CD1-CG 3.93Å; L8-Y89 HydrophobicContact CD2-CD2 4.32Å; L8-Y89 HydrophobicContact CD2-CE2 4.4Å; L8-Y89 HydrophobicContact CG-CD2 3.96Å; L8-Y89 HydrophobicContact CG-CE2 3.75Å; L48-Y89 HydrophobicContact CB-CD1 4.25Å; E49-Y89 CarbonylContact O-C 3.5Å; E49-Y89 VanDerWaalsContact O-CA 3.25Å; E49-Y89 WeakPolarHBondContact O-CA 3.15Å; P50-Y89 HydrophobicContact CB-CD1 4.29Å; P50-Y89 HydrophobicContact CB-CE1 4.19Å; P50-Y89 HydrophobicContact CG-CD1 4.13Å; P50-Y89 HydrophobicContact CG-CE1 3.82Å; P82-Y89 WeakPolarHBondContact CA-O 3.13Å; D83-Y89 PolarHBondContact N-O 3.39Å; D83-Y89 PolarHBondContact OD1-N 3.42Å
90K94.4Very high91.8Very high63 Ų6334.2 Ų34.227%0.27419%0.194SC..EExtended strand (participates in β ladder)trans-85.7138.9155.3-66.7175.8-175.2168.40107.6L48 E49 V51 L58 F80L48-K90 WeakPolarHBondContact CA-O 3.16Å; E49-K90 PolarHBondContact N-O 2.97Å; E49-K90 PolarHBondContact O-N 3.4Å; V51-K90 HydrophobicContact CG1-CG 4.45Å; L58-K90 HydrophobicContact CD2-CB 4.12Å; L58-K90 WeakPolarHBondContact CD2-O 3.13Å; F80-K90 HydrophobicContact CE2-CB 4.4Å; F80-K90 HydrophobicContact CZ-CB 4.44Å; F80-K90 HydrophobicContact CZ-CD 4.29Å
91A95.4Very high91.9Very high0 Ų032.3 Ų32.30%019%0.186CC..EExtended strand (participates in β ladder)trans-126.4136.9-176.200000110.1I14 K47 L48 W79 F80 G81I14-A91 HydrophobicContact CD1-CB 4.43Å; I14-A91 HydrophobicContact CG2-CB 3.76Å; K47-A91 WeakPolarHBondContact O-CA 3.49Å; L48-A91 HydrophobicContact CD2-CB 3.35Å; W79-A91 HydrophobicContact CZ3-CB 3.88Å; W79-A91 WeakPolarHBondContact CZ3-O 3.35Å; F80-A91 WeakPolarHBondContact CA-O 3.47Å; F80-A91 WeakPolarHBondContact CD2-O 3.45Å; G81-A91 PolarHBondContact N-O 3.43Å; G81-A91 PolarHBondContact O-N 3.31Å
92M96.2Very high92Very high0 Ų032.8 Ų32.80%019%0.185CC..EExtended strand (participates in β ladder)trans-123.6122.1172.9-170.9167.669.200108.5I46 K47 L58 E61 Y65 V77 W79 F80 M94I46-M92 CarbonylContact C-O 3.41Å; I46-M92 WeakPolarHBondContact CA-O 3.29Å; K47-M92 HydrophobicContact CB-CB 4.47Å; K47-M92 HydrophobicContact CD-CE 4.31Å; K47-M92 PolarHBondContact N-O 2.94Å; K47-M92 PolarHBondContact O-N 3.39Å; L58-M92 HydrophobicContact CD1-CB 4.08Å; L58-M92 HydrophobicContact CD1-CE 3.87Å; L58-M92 HydrophobicContact CD1-SD 4.34Å; L58-M92 HydrophobicContact CD2-CB 4.26Å; L58-M92 HydrophobicContact CG-CB 4.29Å; E61-M92 HydrophobicContact CG-CE 4.37Å; Y65-M92 HydrophobicContact CD2-CE 3.92Å; Y65-M92 HydrophobicContact CD2-SD 4.04Å; Y65-M92 HydrophobicContact CE2-CE 3.75Å; Y65-M92 HydrophobicContact CE2-SD 4.49Å; V77-M92 HydrophobicContact CG1-CG 3.82Å; V77-M92 HydrophobicContact CG1-SD 4.3Å; V77-M92 HydrophobicContact CG2-CG 4.25Å; V77-M92 HydrophobicContact CG2-SD 3.97Å; W79-M92 WeakPolarHBondContact O-CA 3.27Å; F80-M92 HydrophobicContact CD2-CB 4.03Å; F80-M92 HydrophobicContact CD2-CG 4.34Å; M92-M94 HydrophobicContact CE-SD 3.83Å
93V96.8Very high92.1Very high0 Ų031.8 Ų31.80%018%0.176CC..EExtended strand (participates in β ladder)trans-102.2127.7177.5-175.50000108.4I14 W18 V44 A45 I46 V77 Y78 W79I14-V93 HydrophobicContact CG2-CG2 3.98Å; W18-V93 HydrophobicContact CD2-CB 4.38Å; W18-V93 HydrophobicContact CD2-CG1 3.82Å; W18-V93 HydrophobicContact CD2-CG2 4.09Å; W18-V93 HydrophobicContact CE3-CB 4.47Å; W18-V93 HydrophobicContact CE3-CG1 4.38Å; W18-V93 HydrophobicContact CE3-CG2 3.93Å; W18-V93 HydrophobicContact CG-CG1 3.91Å; W18-V93 HydrophobicContact CG-CG2 4.37Å; W18-V93 HydrophobicContact CZ2-CG1 4.4Å; V44-V93 HydrophobicContact CB-CG1 3.9Å; V44-V93 HydrophobicContact CG1-CG1 4.17Å; V44-V93 HydrophobicContact CG2-CG1 3.74Å; A45-V93 WeakPolarHBondContact O-CA 3.12Å; I46-V93 HydrophobicContact CG1-CG1 4.49Å; I46-V93 HydrophobicContact CG1-CG2 4.23Å; I46-V93 HydrophobicContact CG2-CG2 4.45Å; V77-V93 CarbonylContact C-O 3.48Å; Y78-V93 HydrophobicContact CD2-CG1 4.28Å; Y78-V93 PolarHBondContact N-O 3.47Å; W79-V93 HydrophobicContact CB-CB 4.23Å; W79-V93 HydrophobicContact CB-CG2 4.4Å; W79-V93 HydrophobicContact CE3-CG2 3.98Å; W79-V93 PolarHBondContact N-O 3.05Å; W79-V93 PolarHBondContact O-N 2.95Å
94M97.2Very high92.6Very high15 Ų1531.8 Ų31.87%0.07418%0.176CC..EExtended strand (participates in β ladder)trans-149.2172.4-174.263.1-171.4-62.800112V44 A45 Y65 P75 R76 V77 M92 L96V44-M94 WeakPolarHBondContact CB-O 3.37Å; A45-M94 HydrophobicContact CB-CG 4.04Å; A45-M94 PolarHBondContact N-O 3.09Å; A45-M94 PolarHBondContact O-N 3.09Å; Y65-M94 HydrophobicContact CE1-CE 4.01Å; Y65-M94 HydrophobicContact CE2-CE 4.24Å; Y65-M94 WeakPolarHBondContact OH-CE 3.19Å; P75-M94 HydrophobicContact CB-CE 3.72Å; P75-M94 HydrophobicContact CG-CE 3.35Å; R76-M94 CarbonylContact O-C 3.58Å; R76-M94 WeakPolarHBondContact O-CA 3.43Å; R76-M94 VanDerWaalsContact O-CB 3.24Å; R76-M94 WeakPolarHBondContact O-CB 3.43Å; V77-M94 HydrophobicContact CG2-CB 4.22Å; M92-M94 HydrophobicContact CE-SD 3.83Å; M94-L96 PolarHBondContact O-N 3.46Å
95D96.3Very high93.4Very high41 Ų4129.2 Ų29.222%0.21915%0.149CC..EExtended strand (participates in β ladder)trans-49.1133.6174.6-69.4-27.3000111.6P75 R76 Y78P75-D95 HydrophobicContact CB-CB 3.81Å; R76-D95 WeakPolarHBondContact CB-OD2 3.47Å; R76-D95 PolarHBondContact N-OD2 2.96Å; R76-D95 PolarHBondContact O-N 3.3Å; Y78-D95 VanDerWaalsContact CE2-OD1 3.23Å; Y78-D95 WeakPolarHBondContact CE2-OD1 3.36Å; Y78-D95 PolarHBondContact OH-OD1 3.3Å
96L97.1Very high94.6Very high12 Ų1229.2 Ų29.26%0.06315%0.149CC..  trans-74.1132.8163.4-17565.8000108.7I24 L34 E43 A45 M94 I150I24-L96 HydrophobicContact CD1-CD1 3.71Å; L34-L96 HydrophobicContact CD1-CD1 4.28Å; L34-L96 HydrophobicContact CD1-CD2 3.63Å; E43-L96 HydrophobicContact CB-CD2 3.8Å; A45-L96 HydrophobicContact CB-CD1 4.23Å; M94-L96 PolarHBondContact O-N 3.46Å; L96-I150 HydrophobicContact CB-CD1 4.4Å; L96-I150 HydrophobicContact CG-CD1 4.48Å; L96-I150 WeakPolarHBondContact O-CD1 3.34Å
97L96.4Very high95.5Very high16 Ų1630 Ų308%0.08415%0.147CC..  trans-117.4170.1178-63.4178.6000110.2P75 L147 F158 V160P75-L97 HydrophobicContact CB-CD1 4.12Å; P75-L97 HydrophobicContact CB-CG 4.49Å; P75-L97 HydrophobicContact CG-CD1 3.96Å; L97-L147 HydrophobicContact CB-CB 4.11Å; L97-L147 HydrophobicContact CB-CD2 3.84Å; L97-L147 HydrophobicContact CD1-CB 4.08Å; L97-L147 HydrophobicContact CD1-CD2 4.23Å; L97-F158 HydrophobicContact CD1-CB 3.61Å; L97-F158 HydrophobicContact CD1-CD1 4.36Å; L97-F158 HydrophobicContact CD1-CG 3.99Å; L97-F158 HydrophobicContact CD2-CB 4.29Å; L97-F158 HydrophobicContact CD2-CD1 3.92Å; L97-F158 HydrophobicContact CD2-CD2 3.84Å; L97-F158 HydrophobicContact CD2-CE1 4.16Å; L97-F158 HydrophobicContact CD2-CE2 4.1Å; L97-F158 HydrophobicContact CD2-CG 3.76Å; L97-F158 HydrophobicContact CD2-CZ 4.24Å; L97-V160 HydrophobicContact CD1-CG1 3.76Å
98G95.8Very high96.1Very high5 Ų526.2 Ų26.25%0.05213%0.128CC..  trans-81.2-162.6177.200000112.5L147 M148G98-L147 WeakPolarHBondContact O-CD2 3.32Å; G98-M148 WeakPolarHBondContact CA-O 3.37Å; G98-M148 PolarHBondContact N-O 3.17Å
99P95.4Very high96.4Very high1 Ų124 Ų241%0.00614%0.139CC..  trans-64.9151.8-178.928-33.7000111.8D103 L104 M148 L350 L354P99-D103 HydrophobicContact CB-CB 3.97Å; P99-L104 HydrophobicContact CB-CD2 4.4Å; P99-L104 HydrophobicContact CB-CG 4.13Å; P99-L104 HydrophobicContact CG-CD1 4.1Å; P99-L104 HydrophobicContact CG-CD2 3.78Å; P99-L104 HydrophobicContact CG-CG 3.88Å; P99-M148 PolarHBondContact O-N 3.14Å; P99-L350 HydrophobicContact CG-CD1 4.45Å; P99-L350 HydrophobicContact CG-CD2 3.99Å; P99-L354 HydrophobicContact CB-CB 4.44Å; P99-L354 HydrophobicContact CG-CB 4.43Å
100S97Very high96.6Very high8 Ų825.7 Ų25.76%0.05615%0.145CC..BIsolated β-bridgetrans-70.9162.4171.572.80000111.3E102 D103 L104 F146S100-E102 PolarHBondContact O-N 2.91Å; S100-E102 PolarHBondContact OG-N 3.37Å; S100-D103 WeakPolarHBondContact CB-OD2 3.47Å; S100-D103 PolarHBondContact N-OD2 2.97Å; S100-D103 WeakPolarHBondContact O-CB 3.25Å; S100-D103 PolarHBondContact O-N 3.44Å; S100-D103 PolarHBondContact OG-N 2.87Å; S100-D103 VanDerWaalsContact OG-N 3.15Å; S100-D103 PolarHBondContact OG-OD2 3.35Å; S100-L104 WeakPolarHBondContact O-CG 3.16Å; S100-L104 PolarHBondContact O-N 3.14Å; S100-F146 CarbonylContact C-O 3.53Å; S100-F146 WeakPolarHBondContact CA-O 3.05Å
101L98.3Very high96.8Very high0 Ų029.8 Ų29.80%016%0.159CC..Hα-helixtrans-65.8-24173-62.9-174.8000111.8L104 F105 L120 M124 P143 F146 M148 F218 W302L101-L104 HydrophobicContact CD2-CD1 4.12Å; L101-F105 WeakPolarHBondContact O-CB 3.23Å; L101-F105 PolarHBondContact O-N 3.05Å; L101-L120 HydrophobicContact CD1-CD1 4.23Å; L101-L120 HydrophobicContact CD1-CD2 4.15Å; L101-L120 HydrophobicContact CD2-CD1 4.12Å; L101-L120 HydrophobicContact CD2-CD2 3.76Å; L101-M124 HydrophobicContact CD1-CE 4.32Å; L101-M124 HydrophobicContact CD1-SD 3.74Å; L101-P143 HydrophobicContact CB-CB 4.1Å; L101-P143 PolarHBondContact N-O 3.19Å; L101-F146 HydrophobicContact CD1-CB 3.59Å; L101-F146 HydrophobicContact CD1-CG 4.4Å; L101-F146 HydrophobicContact CG-CB 3.85Å; L101-F146 WeakPolarHBondContact CG-O 3.47Å; L101-F146 PolarHBondContact N-O 3.03Å; L101-M148 HydrophobicContact CD2-CG 4.44Å; L101-M148 HydrophobicContact CD2-SD 3.95Å; L101-F218 HydrophobicContact CB-CE1 4.32Å; L101-F218 HydrophobicContact CB-CZ 3.77Å; L101-F218 HydrophobicContact CD1-CE2 4.17Å; L101-F218 HydrophobicContact CD1-CZ 3.97Å; L101-W302 HydrophobicContact CD2-CH2 4.26Å
102E97.9Very high96.9Very high21 Ų2130.3 Ų30.310%0.09816%0.161CC..Hα-helixtrans-71.5-38.5171.7-170.463.4-159.100111.7S100 F105 T106 R110 P143 Y217S100-E102 PolarHBondContact O-N 2.91Å; S100-E102 PolarHBondContact OG-N 3.37Å; E102-F105 PolarHBondContact O-N 3.35Å; E102-T106 WeakPolarHBondContact O-CB 3.43Å; E102-T106 PolarHBondContact O-N 3.48Å; E102-T106 PolarHBondContact O-OG1 3.05Å; E102-R110 IonicContact OE1-NH1 3Å; E102-R110 PolarHBondContact OE1-NH1 3.41Å; E102-P143 HydrophobicContact CB-CB 3.92Å; E102-Y217 VanDerWaalsContact CD-OH 3.31Å; E102-Y217 PolarHBondContact OE1-OH 2.86Å; E102-Y217 VanDerWaalsContact OE2-CE1 3.23Å; E102-Y217 WeakPolarHBondContact OE2-CE1 3.34Å; E102-Y217 PolarHBondContact OE2-OH 3.25Å
103D96.3Very high97Very high59 Ų5932.5 Ų32.532%0.31618%0.177SC..Hα-helixtrans-62.5-49.1176.2-60.1-42.9000110P99 S100 F105 T106 F107 L354P99-D103 HydrophobicContact CB-CB 3.97Å; S100-D103 WeakPolarHBondContact CB-OD2 3.47Å; S100-D103 PolarHBondContact N-OD2 2.97Å; S100-D103 WeakPolarHBondContact O-CB 3.25Å; S100-D103 PolarHBondContact O-N 3.44Å; S100-D103 PolarHBondContact OG-N 2.87Å; S100-D103 VanDerWaalsContact OG-N 3.15Å; S100-D103 PolarHBondContact OG-OD2 3.35Å; D103-F105 VanDerWaalsContact C-N 3.3Å; D103-F105 PolarHBondContact O-N 2.79Å; D103-T106 PolarHBondContact O-N 2.83Å; D103-F107 WeakPolarHBondContact O-CB 3.37Å; D103-F107 PolarHBondContact O-N 2.99Å; D103-L354 HydrophobicContact CB-CD2 4.21Å
104L97.7Very high97Very high0 Ų033.8 Ų33.80%019%0.187CC..Hα-helixtrans-63.8-37.6176.7-68.2165.1000111.8P99 S100 L101 T106 F107 C108 F112 M148 W302 L354P99-L104 HydrophobicContact CB-CD2 4.4Å; P99-L104 HydrophobicContact CB-CG 4.13Å; P99-L104 HydrophobicContact CG-CD1 4.1Å; P99-L104 HydrophobicContact CG-CD2 3.78Å; P99-L104 HydrophobicContact CG-CG 3.88Å; S100-L104 WeakPolarHBondContact O-CG 3.16Å; S100-L104 PolarHBondContact O-N 3.14Å; L101-L104 HydrophobicContact CD2-CD1 4.12Å; L104-T106 VanDerWaalsContact C-N 3.35Å; L104-F107 PolarHBondContact O-N 3.17Å; L104-C108 PolarHBondContact O-N 3.47Å; L104-C108 PolarHBondContact O-SG 3.02Å; L104-C108 VanDerWaalsContact O-SG 3.39Å; L104-F112 HydrophobicContact CB-CZ 4.17Å; L104-M148 HydrophobicContact CD1-CG 3.53Å; L104-W302 HydrophobicContact CB-CD2 4.19Å; L104-W302 HydrophobicContact CB-CE3 3.77Å; L104-W302 HydrophobicContact CB-CZ3 4.03Å; L104-W302 HydrophobicContact CD1-CD2 4.1Å; L104-W302 HydrophobicContact CD1-CE3 4.22Å; L104-W302 HydrophobicContact CD1-CH2 3.91Å; L104-W302 HydrophobicContact CD1-CZ2 3.77Å; L104-W302 HydrophobicContact CD1-CZ3 4.14Å; L104-W302 HydrophobicContact CD2-CB 3.98Å; L104-W302 HydrophobicContact CD2-CD2 3.64Å; L104-W302 HydrophobicContact CD2-CE3 4.13Å; L104-W302 HydrophobicContact CD2-CG 3.58Å; L104-W302 HydrophobicContact CG-CD2 4.2Å; L104-W302 HydrophobicContact CG-CE3 4.27Å; L104-L354 HydrophobicContact CD2-CD1 3.5Å; L104-L354 VanDerWaalsContact CD2-CD1 3.5Å; L104-L354 HydrophobicContact CG-CD1 4.39Å
105F98.1Very high97.1Very high0 Ų035 Ų350%019%0.192CC..Hα-helixtrans-63.6-43.6175.9-175.8-120.2000111.5L101 E102 D103 C108 R110 F112 Y217 F218L101-F105 WeakPolarHBondContact O-CB 3.23Å; L101-F105 PolarHBondContact O-N 3.05Å; E102-F105 PolarHBondContact O-N 3.35Å; D103-F105 VanDerWaalsContact C-N 3.3Å; D103-F105 PolarHBondContact O-N 2.79Å; F105-C108 PolarHBondContact O-N 3.28Å; F105-R110 HydrophobicContact CD1-CB 4.17Å; F105-R110 HydrophobicContact CD1-CG 4.3Å; F105-R110 HydrophobicContact CE1-CB 3.81Å; F105-R110 HydrophobicContact CE1-CG 4.31Å; F105-R110 WeakPolarHBondContact CE2-O 3.28Å; F105-R110 HydrophobicContact CZ-CB 4.1Å; F105-R110 WeakPolarHBondContact CZ-O 3.48Å; F105-R110 WeakPolarHBondContact O-CA 3.14Å; F105-R110 PolarHBondContact O-N 3.04Å; F105-F112 HydrophobicContact CB-CE1 4.22Å; F105-F112 HydrophobicContact CB-CE2 4.12Å; F105-F112 HydrophobicContact CB-CZ 3.68Å; F105-F112 HydrophobicContact CD2-CD1 4.11Å; F105-F112 HydrophobicContact CD2-CD2 4.05Å; F105-F112 HydrophobicContact CD2-CE1 4.03Å; F105-F112 AromaticContact CD2-CE2 3.96Å; F105-F112 HydrophobicContact CD2-CE2 3.96Å; F105-F112 HydrophobicContact CD2-CG 4.11Å; F105-F112 AromaticContact CD2-CZ 3.95Å; F105-F112 HydrophobicContact CD2-CZ 3.95Å; F105-F112 HydrophobicContact CG-CZ 4.35Å; F105-Y217 AromaticContact CD1-CE1 3.6Å; F105-Y217 HydrophobicContact CD1-CE1 3.6Å; F105-Y217 AromaticContact CD1-CZ 3.82Å; F105-Y217 HydrophobicContact CE1-CD1 4.04Å; F105-Y217 AromaticContact CE1-CE1 3.33Å; F105-Y217 HydrophobicContact CE1-CE1 3.33Å; F105-Y217 AromaticContact CE1-CE2 3.96Å; F105-Y217 HydrophobicContact CE1-CE2 3.96Å; F105-Y217 AromaticContact CE1-CZ 3.31Å; F105-Y217 WeakPolarHBondContact CE1-OH 3.38Å; F105-Y217 HydrophobicContact CG-CE1 4.45Å; F105-Y217 HydrophobicContact CZ-CD1 4.23Å; F105-Y217 AromaticContact CZ-CE1 3.98Å; F105-Y217 HydrophobicContact CZ-CE1 3.98Å; F105-Y217 WeakPolarHBondContact CZ-O 3.37Å; F105-F218 HydrophobicContact CB-CD1 4.43Å; F105-F218 HydrophobicContact CB-CE1 4.27Å; F105-F218 AromaticContact CD2-CD1 3.7Å; F105-F218 HydrophobicContact CD2-CD1 3.7Å; F105-F218 HydrophobicContact CD2-CE1 4.35Å; F105-F218 HydrophobicContact CE2-CB 4.39Å; F105-F218 AromaticContact CE2-CD1 3.92Å; F105-F218 HydrophobicContact CE2-CD1 3.92Å; F105-F218 WeakPolarHBondContact CE2-O 3.42Å; F105-F218 HydrophobicContact CG-CD1 4.06Å; F105-F218 HydrophobicContact CG-CE1 4.31Å; F105-F218 HydrophobicContact CZ-CD1 4.44Å
106T97.3Very high97.2Very high79 Ų7933.1 Ų33.149%0.48518%0.182SC..Hα-helixtrans-63.4-44.5175.3-60.90000111.2E102 D103 L104 C108 G109E102-T106 WeakPolarHBondContact O-CB 3.43Å; E102-T106 PolarHBondContact O-N 3.48Å; E102-T106 PolarHBondContact O-OG1 3.05Å; D103-T106 PolarHBondContact O-N 2.83Å; L104-T106 VanDerWaalsContact C-N 3.35Å; T106-C108 VanDerWaalsContact C-N 3.32Å; T106-C108 PolarHBondContact O-N 2.74Å; T106-G109 PolarHBondContact O-N 3.1Å; T106-G109 VanDerWaalsContact O-N 3.09Å
107F95.9Very high97.2Very high58 Ų5832.5 Ų32.525%0.25418%0.179SC..Hα-helixtrans-59-40176.7179.5-100.6000113.1D103 L104 G109 W302 L305 P351 L354D103-F107 WeakPolarHBondContact O-CB 3.37Å; D103-F107 PolarHBondContact O-N 2.99Å; L104-F107 PolarHBondContact O-N 3.17Å; F107-G109 PolarHBondContact O-N 3.31Å; F107-G109 VanDerWaalsContact O-N 3.14Å; F107-W302 HydrophobicContact CD1-CB 3.83Å; F107-W302 HydrophobicContact CE1-CB 3.99Å; F107-L305 HydrophobicContact CD1-CD1 4.27Å; F107-L305 HydrophobicContact CE1-CB 3.85Å; F107-L305 HydrophobicContact CE1-CD1 4.13Å; F107-L305 HydrophobicContact CZ-CB 4.27Å; F107-P351 HydrophobicContact CD1-CG 4.25Å; F107-P351 HydrophobicContact CE1-CB 4.03Å; F107-P351 HydrophobicContact CE1-CG 3.61Å; F107-P351 HydrophobicContact CE2-CB 4.22Å; F107-P351 HydrophobicContact CZ-CB 3.72Å; F107-P351 HydrophobicContact CZ-CG 3.85Å; F107-L354 HydrophobicContact CB-CD1 3.65Å; F107-L354 HydrophobicContact CB-CD2 4.2Å; F107-L354 HydrophobicContact CB-CG 4.2Å; F107-L354 HydrophobicContact CD1-CD1 3.91Å; F107-L354 HydrophobicContact CD2-CD1 3.89Å; F107-L354 HydrophobicContact CD2-CD2 4.47Å; F107-L354 HydrophobicContact CD2-CG 3.92Å; F107-L354 HydrophobicContact CG-CD1 3.54Å; F107-L354 HydrophobicContact CG-CG 4.07Å
108C96Very high97.4Very high19 Ų1932 Ų3213%0.12818%0.176CC..THydrogen-bonded Turntrans-78.215.8176.6-66.20000114.4L104 F105 T106 R110 F112 W302 L305L104-C108 PolarHBondContact O-N 3.47Å; L104-C108 PolarHBondContact O-SG 3.02Å; L104-C108 VanDerWaalsContact O-SG 3.39Å; F105-C108 PolarHBondContact O-N 3.28Å; T106-C108 VanDerWaalsContact C-N 3.32Å; T106-C108 PolarHBondContact O-N 2.74Å; C108-R110 VanDerWaalsContact C-N 3.31Å; C108-R110 PolarHBondContact O-N 2.89Å; C108-F112 HydrophobicContact CB-CD1 3.95Å; C108-F112 HydrophobicContact CB-CE1 3.77Å; C108-W302 PolarHBondContact SG-N 3.01Å; C108-L305 HydrophobicContact CB-CD1 4.19Å
109G95.8Very high97.5Very high61 Ų6132.1 Ų32.163%0.62918%0.176SC*.THydrogen-bonded Turntrans71.127.7-178.700000113.3T106 F107 R111T106-G109 PolarHBondContact O-N 3.1Å; T106-G109 VanDerWaalsContact O-N 3.09Å; F107-G109 PolarHBondContact O-N 3.31Å; F107-G109 VanDerWaalsContact O-N 3.14Å; G109-R111 VanDerWaalsContact C-N 3.32Å; G109-R111 PolarHBondContact O-N 2.77Å
110R97.4Very high97.6Very high82 Ų8232 Ų3231%0.30918%0.175SC..THydrogen-bonded Turntrans59.735.3175.2-56.7-179.355.369.512.5114E102 F105 C108 Y217 G221E102-R110 IonicContact OE1-NH1 3Å; E102-R110 PolarHBondContact OE1-NH1 3.41Å; F105-R110 HydrophobicContact CD1-CB 4.17Å; F105-R110 HydrophobicContact CD1-CG 4.3Å; F105-R110 HydrophobicContact CE1-CB 3.81Å; F105-R110 HydrophobicContact CE1-CG 4.31Å; F105-R110 WeakPolarHBondContact CE2-O 3.28Å; F105-R110 HydrophobicContact CZ-CB 4.1Å; F105-R110 WeakPolarHBondContact CZ-O 3.48Å; F105-R110 WeakPolarHBondContact O-CA 3.14Å; F105-R110 PolarHBondContact O-N 3.04Å; C108-R110 VanDerWaalsContact C-N 3.31Å; C108-R110 PolarHBondContact O-N 2.89Å; R110-Y217 PolarHBondContact NH1-OH 3.32Å; R110-Y217 PolarHBondContact NH2-OH 3.06Å; R110-G221 PolarHBondContact NH2-O 2.95Å; R110-G221 WeakPolarHBondContact O-CA 3.18Å
111R97.6Very high97.7Very high149 Ų14931.7 Ų31.756%0.56217%0.173SC*.  trans-146.8136.3165-76.5-169.8164.2172.3-5.7108.9G109 R220G109-R111 VanDerWaalsContact C-N 3.32Å; G109-R111 PolarHBondContact O-N 2.77Å; R111-R220 PolarHBondContact NE-O 3.44Å; R111-R220 PolarHBondContact NH2-O 3.25Å
112F98.4Very high97.7Very high10 Ų1033.6 Ų33.64%0.04418%0.182CC..  trans-106.8148.1168.9-67.8-28.6000111.2L104 F105 C108 T116 V117 L120 F218 D301 W302L104-F112 HydrophobicContact CB-CZ 4.17Å; F105-F112 HydrophobicContact CB-CE1 4.22Å; F105-F112 HydrophobicContact CB-CE2 4.12Å; F105-F112 HydrophobicContact CB-CZ 3.68Å; F105-F112 HydrophobicContact CD2-CD1 4.11Å; F105-F112 HydrophobicContact CD2-CD2 4.05Å; F105-F112 HydrophobicContact CD2-CE1 4.03Å; F105-F112 AromaticContact CD2-CE2 3.96Å; F105-F112 HydrophobicContact CD2-CE2 3.96Å; F105-F112 HydrophobicContact CD2-CG 4.11Å; F105-F112 AromaticContact CD2-CZ 3.95Å; F105-F112 HydrophobicContact CD2-CZ 3.95Å; F105-F112 HydrophobicContact CG-CZ 4.35Å; C108-F112 HydrophobicContact CB-CD1 3.95Å; C108-F112 HydrophobicContact CB-CE1 3.77Å; F112-T116 HydrophobicContact CB-CG2 3.82Å; F112-T116 HydrophobicContact CD1-CG2 4.09Å; F112-T116 HydrophobicContact CD2-CG2 3.9Å; F112-T116 HydrophobicContact CE2-CG2 4.48Å; F112-T116 HydrophobicContact CG-CG2 3.69Å; F112-V117 HydrophobicContact CB-CG2 3.63Å; F112-V117 HydrophobicContact CD2-CG2 4.46Å; F112-L120 HydrophobicContact CD2-CD1 4.12Å; F112-L120 HydrophobicContact CE2-CD1 4Å; F112-F218 HydrophobicContact CB-CB 4.3Å; F112-F218 HydrophobicContact CD2-CB 3.74Å; F112-F218 AromaticContact CD2-CD1 3.61Å; F112-F218 HydrophobicContact CD2-CD1 3.61Å; F112-F218 HydrophobicContact CD2-CD2 4.17Å; F112-F218 HydrophobicContact CD2-CE1 4.21Å; F112-F218 AromaticContact CD2-CG 3.6Å; F112-F218 HydrophobicContact CD2-CG 3.6Å; F112-F218 AromaticContact CE2-CD1 3.58Å; F112-F218 HydrophobicContact CE2-CD1 3.58Å; F112-F218 HydrophobicContact CE2-CD2 4.44Å; F112-F218 AromaticContact CE2-CE1 3.71Å; F112-F218 HydrophobicContact CE2-CE1 3.71Å; F112-F218 AromaticContact CE2-CG 3.98Å; F112-F218 HydrophobicContact CE2-CG 3.98Å; F112-F218 HydrophobicContact CE2-CZ 4.21Å; F112-F218 HydrophobicContact CG-CB 4.4Å; F112-F218 PolarHBondContact N-O 2.73Å; F112-D301 WeakPolarHBondContact CA-OD2 3.42Å; F112-W302 AromaticContact CE1-CE3 3.89Å; F112-W302 HydrophobicContact CE1-CE3 3.89Å; F112-W302 AromaticContact CE1-CZ3 3.84Å; F112-W302 HydrophobicContact CE1-CZ3 3.84Å; F112-W302 HydrophobicContact CE2-CZ3 4.16Å; F112-W302 HydrophobicContact CZ-CE3 4.05Å; F112-W302 AromaticContact CZ-CZ3 3.62Å; F112-W302 HydrophobicContact CZ-CZ3 3.62Å
113S97.7Very high97.7Very high47 Ų4733.5 Ų33.533%0.32918%0.181SC..  trans-65.5156.8169.773.30000111K115 T116 V117 D301S113-K115 PolarHBondContact O-N 3.42Å; S113-T116 PolarHBondContact O-N 3.04Å; S113-T116 PolarHBondContact OG-N 2.97Å; S113-T116 PolarHBondContact OG-OG1 3.29Å; S113-V117 WeakPolarHBondContact O-CG2 3.4Å; S113-V117 PolarHBondContact O-N 3.05Å; S113-D301 VanDerWaalsContact CB-OD1 3.29Å; S113-D301 WeakPolarHBondContact CB-OD1 3.5Å; S113-D301 PolarHBondContact N-OD2 2.79Å; S113-D301 PolarHBondContact OG-OD1 3.03Å; S113-D301 PolarHBondContact OG-OD2 3.3Å
114A98.1Very high97.8Very high27 Ų2730.7 Ų30.722%0.22317%0.166CC..Hα-helixtrans-58.3-36.6175.400000112.1V117 L118 F294A114-V117 PolarHBondContact O-N 3.34Å; A114-L118 WeakPolarHBondContact O-CB 3.33Å; A114-L118 WeakPolarHBondContact O-CD1 3.48Å; A114-L118 WeakPolarHBondContact O-CG 3.43Å; A114-L118 PolarHBondContact O-N 3.15Å; A114-F294 HydrophobicContact CB-CE2 4.08Å; A114-F294 HydrophobicContact CB-CZ 4.24Å
115K98Very high97.9Very high40 Ų4030.7 Ų30.717%0.17417%0.166CC..Hα-helixtrans-58.5-54.9175.8-176.7-175.3176.5-169.50110.7S113 V117 L118 T119 F289 F294 V295 D297S113-K115 PolarHBondContact O-N 3.42Å; K115-V117 PolarHBondContact O-N 3.26Å; K115-L118 PolarHBondContact O-N 2.9Å; K115-T119 PolarHBondContact O-N 3.36Å; K115-T119 PolarHBondContact O-OG1 3.42Å; K115-T119 VanDerWaalsContact O-OG1 3.05Å; K115-F289 HydrophobicContact CG-CE2 4.04Å; K115-F289 HydrophobicContact CG-CZ 4.44Å; K115-F294 HydrophobicContact CB-CD1 4.21Å; K115-F294 HydrophobicContact CB-CD2 3.8Å; K115-F294 HydrophobicContact CB-CE1 4.23Å; K115-F294 HydrophobicContact CB-CE2 3.82Å; K115-F294 HydrophobicContact CB-CG 4.01Å; K115-F294 HydrophobicContact CB-CZ 4.04Å; K115-F294 HydrophobicContact CG-CB 4.21Å; K115-F294 HydrophobicContact CG-CD1 4.42Å; K115-F294 HydrophobicContact CG-CD2 4.14Å; K115-F294 HydrophobicContact CG-CG 4.02Å; K115-V295 WeakPolarHBondContact CE-O 3.49Å; K115-D297 VanDerWaalsContact CE-OD1 3.28Å; K115-D297 WeakPolarHBondContact CE-OD1 3.47Å; K115-D297 IonicContact NZ-OD1 4Å; K115-D297 PolarHBondContact NZ-OD1 3.11Å; K115-D297 IonicContact NZ-OD2 2.78Å; K115-D297 PolarHBondContact NZ-OD2 3.25Å
116T98.3Very high97.9Very high1 Ų133.1 Ų33.11%0.00618%0.175CC..Hα-helixtrans-57-47.9178-72.80000111.5F112 S113 L118 T119 L120 Y300 D301 W302F112-T116 HydrophobicContact CB-CG2 3.82Å; F112-T116 HydrophobicContact CD1-CG2 4.09Å; F112-T116 HydrophobicContact CD2-CG2 3.9Å; F112-T116 HydrophobicContact CE2-CG2 4.48Å; F112-T116 HydrophobicContact CG-CG2 3.69Å; S113-T116 PolarHBondContact O-N 3.04Å; S113-T116 PolarHBondContact OG-N 2.97Å; S113-T116 PolarHBondContact OG-OG1 3.29Å; T116-L118 PolarHBondContact O-N 3.3Å; T116-T119 PolarHBondContact O-N 2.84Å; T116-L120 HydrophobicContact CG2-CD1 3.89Å; T116-L120 HydrophobicContact CG2-CG 4.49Å; T116-L120 WeakPolarHBondContact O-CB 3.41Å; T116-L120 VanDerWaalsContact O-CG 3.27Å; T116-L120 WeakPolarHBondContact O-CG 3.47Å; T116-L120 PolarHBondContact O-N 3.43Å; T116-Y300 HydrophobicContact CG2-CD1 4.06Å; T116-D301 PolarHBondContact OG1-N 2.89Å; T116-D301 PolarHBondContact OG1-OD1 3Å; T116-D301 PolarHBondContact OG1-OD2 3.17Å; T116-W302 HydrophobicContact CG2-CH2 4.38Å; T116-W302 HydrophobicContact CG2-CZ3 3.89Å
117V98.8Very high97.9Very high0 Ų030 Ų300%016%0.155CC..Hα-helixtrans-62.8-42.3-179.6175.60000112.1F112 S113 A114 K115 L120 A121 F215 F218 L219 F260F112-V117 HydrophobicContact CB-CG2 3.63Å; F112-V117 HydrophobicContact CD2-CG2 4.46Å; S113-V117 WeakPolarHBondContact O-CG2 3.4Å; S113-V117 PolarHBondContact O-N 3.05Å; A114-V117 PolarHBondContact O-N 3.34Å; K115-V117 PolarHBondContact O-N 3.26Å; V117-L120 PolarHBondContact O-N 2.89Å; V117-A121 VanDerWaalsContact O-CB 3.25Å; V117-A121 WeakPolarHBondContact O-CB 3.41Å; V117-A121 PolarHBondContact O-N 3.04Å; V117-F215 HydrophobicContact CG1-CB 4.11Å; V117-F218 HydrophobicContact CG2-CB 3.62Å; V117-L219 HydrophobicContact CB-CD2 3.97Å; V117-L219 HydrophobicContact CB-CG 4.3Å; V117-L219 HydrophobicContact CG1-CD1 4.45Å; V117-L219 HydrophobicContact CG1-CD2 4.27Å; V117-L219 HydrophobicContact CG1-CG 4.1Å; V117-L219 HydrophobicContact CG2-CD2 3.69Å; V117-L219 HydrophobicContact CG2-CG 3.97Å; V117-F260 HydrophobicContact CG1-CE1 3.93Å; V117-F260 HydrophobicContact CG1-CZ 4.1Å
118L98.7Very high98.1Very high4 Ų427.2 Ų27.22%0.02114%0.143CC..Hα-helixtrans-69.2-40.5179.8-69.3169000112A114 K115 T116 L120 A121 E122 F260 F285 L288 F289 L292 F294A114-L118 WeakPolarHBondContact O-CB 3.33Å; A114-L118 WeakPolarHBondContact O-CD1 3.48Å; A114-L118 WeakPolarHBondContact O-CG 3.43Å; A114-L118 PolarHBondContact O-N 3.15Å; K115-L118 PolarHBondContact O-N 2.9Å; T116-L118 PolarHBondContact O-N 3.3Å; L118-L120 VanDerWaalsContact C-N 3.33Å; L118-L120 PolarHBondContact O-N 3.2Å; L118-A121 PolarHBondContact O-N 3.41Å; L118-E122 PolarHBondContact O-N 3.34Å; L118-E122 VanDerWaalsContact O-N 3.15Å; L118-F260 HydrophobicContact CD2-CE1 4.47Å; L118-F260 HydrophobicContact CD2-CE2 4.4Å; L118-F260 HydrophobicContact CD2-CZ 3.76Å; L118-F260 HydrophobicContact CG-CZ 4.27Å; L118-F285 HydrophobicContact CD2-CB 3.68Å; L118-F285 HydrophobicContact CD2-CD1 3.58Å; L118-F285 HydrophobicContact CD2-CE1 4.39Å; L118-F285 HydrophobicContact CD2-CG 3.74Å; L118-L288 HydrophobicContact CD1-CD2 4.01Å; L118-L288 HydrophobicContact CD1-CG 3.94Å; L118-L288 HydrophobicContact CD2-CD2 3.94Å; L118-F289 HydrophobicContact CB-CD2 3.81Å; L118-F289 HydrophobicContact CD1-CB 4.3Å; L118-F289 HydrophobicContact CD1-CD2 4.26Å; L118-L292 HydrophobicContact CD1-CD1 4.39Å; L118-F294 HydrophobicContact CD1-CD2 4.3Å; L118-F294 HydrophobicContact CD1-CE2 4.16Å
119T98.3Very high98.2Very high8 Ų828.3 Ų28.35%0.04915%0.146CC..Hα-helixtrans-63-39.5174.3-57.40000111.6K115 T116 F289 L296 Y298 Y300K115-T119 PolarHBondContact O-N 3.36Å; K115-T119 PolarHBondContact O-OG1 3.42Å; K115-T119 VanDerWaalsContact O-OG1 3.05Å; T116-T119 PolarHBondContact O-N 2.84Å; T119-F289 WeakPolarHBondContact OG1-CE2 3.49Å; T119-L296 HydrophobicContact CG2-CD1 3.91Å; T119-Y298 HydrophobicContact CG2-CD1 4.23Å; T119-Y300 HydrophobicContact CG2-CE1 3.57Å
120L98.7Very high98.3Very high0 Ų025.6 Ų25.60%012%0.117CC..Hα-helixtrans-68.4-44.3174.1-71.3173.8000112L101 F112 T116 V117 L118 E122 Q123 M124 M148 V157 Y300 W302L101-L120 HydrophobicContact CD1-CD1 4.23Å; L101-L120 HydrophobicContact CD1-CD2 4.15Å; L101-L120 HydrophobicContact CD2-CD1 4.12Å; L101-L120 HydrophobicContact CD2-CD2 3.76Å; F112-L120 HydrophobicContact CD2-CD1 4.12Å; F112-L120 HydrophobicContact CE2-CD1 4Å; T116-L120 HydrophobicContact CG2-CD1 3.89Å; T116-L120 HydrophobicContact CG2-CG 4.49Å; T116-L120 WeakPolarHBondContact O-CB 3.41Å; T116-L120 VanDerWaalsContact O-CG 3.27Å; T116-L120 WeakPolarHBondContact O-CG 3.47Å; T116-L120 PolarHBondContact O-N 3.43Å; V117-L120 PolarHBondContact O-N 2.89Å; L118-L120 VanDerWaalsContact C-N 3.33Å; L118-L120 PolarHBondContact O-N 3.2Å; L120-E122 VanDerWaalsContact C-N 3.28Å; L120-E122 PolarHBondContact O-N 3.17Å; L120-Q123 PolarHBondContact O-N 2.92Å; L120-Q123 VanDerWaalsContact O-N 3.1Å; L120-M124 HydrophobicContact CB-SD 4.21Å; L120-M124 WeakPolarHBondContact O-CB 3.35Å; L120-M124 VanDerWaalsContact O-CG 3.24Å; L120-M124 WeakPolarHBondContact O-CG 3.35Å; L120-M124 PolarHBondContact O-N 2.82Å; L120-M148 HydrophobicContact CD2-SD 4.4Å; L120-V157 HydrophobicContact CD2-CG2 3.63Å; L120-Y300 HydrophobicContact CD2-CE1 3.86Å; L120-Y300 HydrophobicContact CG-CD1 4.43Å; L120-Y300 HydrophobicContact CG-CE1 3.99Å; L120-W302 HydrophobicContact CD1-CH2 4.17Å; L120-W302 HydrophobicContact CD1-CZ3 4.41Å; L120-W302 HydrophobicContact CD2-CH2 4.23Å
121A98.8Very high98.3Very high0 Ų021.7 Ų21.70%010%0.103CC..Hα-helixtrans-57.9-40.5-178.600000112.3V117 L118 M124 L125 F215 F285V117-A121 VanDerWaalsContact O-CB 3.25Å; V117-A121 WeakPolarHBondContact O-CB 3.41Å; V117-A121 PolarHBondContact O-N 3.04Å; L118-A121 PolarHBondContact O-N 3.41Å; A121-M124 PolarHBondContact O-N 2.87Å; A121-L125 VanDerWaalsContact O-CB 3.31Å; A121-L125 WeakPolarHBondContact O-CB 3.4Å; A121-L125 WeakPolarHBondContact O-CG 2.85Å; A121-L125 PolarHBondContact O-N 3.43Å; A121-F215 HydrophobicContact CB-CD1 4.08Å; A121-F215 HydrophobicContact CB-CD2 4.41Å; A121-F215 HydrophobicContact CB-CE1 3.67Å; A121-F215 HydrophobicContact CB-CE2 4.03Å; A121-F215 HydrophobicContact CB-CG 4.45Å; A121-F215 HydrophobicContact CB-CZ 3.63Å; A121-F285 HydrophobicContact CB-CD2 3.73Å; A121-F285 HydrophobicContact CB-CE2 3.91Å
122E98.1Very high98.3Very high40 Ų4014.8 Ų14.819%0.1878%0.077CC..Hα-helixtrans-55.3-51.5173.6176.262.7-150.800111.7L118 L120 W126 R282 R286L118-E122 PolarHBondContact O-N 3.34Å; L118-E122 VanDerWaalsContact O-N 3.15Å; L120-E122 VanDerWaalsContact C-N 3.28Å; L120-E122 PolarHBondContact O-N 3.17Å; E122-W126 PolarHBondContact O-N 3.41Å; E122-W126 PolarHBondContact OE1-NE1 2.87Å; E122-R282 WeakPolarHBondContact OE1-CD 3.42Å; E122-R286 IonicContact OE1-CZ 2.84Å; E122-R286 IonicContact OE1-NE 2.72Å; E122-R286 PolarHBondContact OE1-NE 3.23Å; E122-R286 IonicContact OE1-NH2 2.79Å; E122-R286 PolarHBondContact OE1-NH2 2.87Å; E122-R286 IonicContact OE2-CZ 3.17Å; E122-R286 IonicContact OE2-NE 2.74Å; E122-R286 PolarHBondContact OE2-NE 3.46Å; E122-R286 IonicContact OE2-NH2 3.1Å
123Q98.4Very high98.2Very high20 Ų2021.1 Ų21.19%0.09310%0.101CC..Hα-helixtrans-70.2-42.4-178.7-61.9-16648.300112.3L120 L125 W126 R127 N155 V157 Y300L120-Q123 PolarHBondContact O-N 2.92Å; L120-Q123 VanDerWaalsContact O-N 3.1Å; Q123-L125 PolarHBondContact O-N 3.21Å; Q123-W126 WeakPolarHBondContact O-CB 3.42Å; Q123-W126 PolarHBondContact O-N 3.47Å; Q123-R127 WeakPolarHBondContact O-CG 3.46Å; Q123-R127 PolarHBondContact O-N 3.05Å; Q123-N155 PolarHBondContact NE2-O 2.8Å; Q123-N155 PolarHBondContact OE1-O 3.42Å; Q123-V157 HydrophobicContact CB-CB 3.99Å; Q123-V157 HydrophobicContact CB-CG2 3.93Å; Q123-V157 HydrophobicContact CG-CG2 4.45Å; Q123-Y300 PolarHBondContact NE2-OH 3.32Å
124M98.8Very high98.1Very high0 Ų022.3 Ų22.30%010%0.099CC..Hα-helixtrans-64.2-40.6-179.1-67.7173.371.200111.6L101 L120 A121 W126 R127 I128 F146 V157 L211 V214 F215 F218L101-M124 HydrophobicContact CD1-CE 4.32Å; L101-M124 HydrophobicContact CD1-SD 3.74Å; L120-M124 HydrophobicContact CB-SD 4.21Å; L120-M124 WeakPolarHBondContact O-CB 3.35Å; L120-M124 VanDerWaalsContact O-CG 3.24Å; L120-M124 WeakPolarHBondContact O-CG 3.35Å; L120-M124 PolarHBondContact O-N 2.82Å; A121-M124 PolarHBondContact O-N 2.87Å; M124-W126 VanDerWaalsContact C-N 3.32Å; M124-W126 PolarHBondContact O-N 3.13Å; M124-R127 PolarHBondContact O-N 3.42Å; M124-I128 WeakPolarHBondContact O-CG1 3.49Å; M124-I128 PolarHBondContact O-N 2.99Å; M124-F146 HydrophobicContact CB-CD1 4.49Å; M124-F146 HydrophobicContact CB-CE1 4.08Å; M124-F146 HydrophobicContact CE-CD1 4.13Å; M124-F146 HydrophobicContact CE-CD2 3.54Å; M124-F146 HydrophobicContact CE-CE1 4.13Å; M124-F146 HydrophobicContact CE-CE2 3.57Å; M124-F146 HydrophobicContact CE-CG 3.83Å; M124-F146 HydrophobicContact CE-CZ 3.86Å; M124-F146 HydrophobicContact CG-CD1 3.83Å; M124-F146 HydrophobicContact CG-CE1 3.92Å; M124-F146 HydrophobicContact CG-CG 4.32Å; M124-V157 HydrophobicContact CG-CG1 4.27Å; M124-L211 HydrophobicContact CB-CD2 3.96Å; M124-L211 HydrophobicContact CE-CD2 3.52Å; M124-V214 HydrophobicContact CE-CG1 3.8Å; M124-F215 HydrophobicContact CB-CE1 4.42Å; M124-F215 HydrophobicContact CE-CE1 4.23Å; M124-F215 HydrophobicContact SD-CE1 3.95Å; M124-F218 HydrophobicContact SD-CE2 4.4Å
125L98.7Very high98Very high0 Ų021.2 Ų21.20%09%0.089CC..Hα-helixtrans-62-40173.3-80.1166.8000111.9A121 Q123 I128 E129 I208 L211 Y263 L281 R282 F285A121-L125 VanDerWaalsContact O-CB 3.31Å; A121-L125 WeakPolarHBondContact O-CB 3.4Å; A121-L125 WeakPolarHBondContact O-CG 2.85Å; A121-L125 PolarHBondContact O-N 3.43Å; Q123-L125 PolarHBondContact O-N 3.21Å; L125-I128 PolarHBondContact O-N 3.04Å; L125-E129 WeakPolarHBondContact O-CB 3.1Å; L125-E129 PolarHBondContact O-N 3.37Å; L125-I208 HydrophobicContact CD2-CD1 4.38Å; L125-L211 HydrophobicContact CD2-CD1 3.86Å; L125-L211 HydrophobicContact CG-CD1 4.31Å; L125-Y263 HydrophobicContact CD1-CE2 4.28Å; L125-Y263 HydrophobicContact CD2-CE2 4.08Å; L125-L281 HydrophobicContact CD1-CB 4.2Å; L125-L281 HydrophobicContact CD2-CB 4.32Å; L125-L281 HydrophobicContact CD2-CD1 4.23Å; L125-R282 HydrophobicContact CB-CG 3.99Å; L125-R282 HydrophobicContact CD1-CG 3.85Å; L125-F285 HydrophobicContact CD1-CD2 4.22Å; L125-F285 HydrophobicContact CD1-CE2 4.42Å
126W98.1Very high98Very high50 Ų5019.4 Ų19.419%0.1898%0.082CC..Hα-helixtrans-61.1-43.8172.6-93115.9000112.5E122 Q123 M124 I128 E129 C130E122-W126 PolarHBondContact O-N 3.41Å; E122-W126 PolarHBondContact OE1-NE1 2.87Å; Q123-W126 WeakPolarHBondContact O-CB 3.42Å; Q123-W126 PolarHBondContact O-N 3.47Å; M124-W126 VanDerWaalsContact C-N 3.32Å; M124-W126 PolarHBondContact O-N 3.13Å; W126-I128 VanDerWaalsContact C-N 3.35Å; W126-I128 PolarHBondContact O-N 2.87Å; W126-E129 WeakPolarHBondContact CZ3-OE2 3.22Å; W126-E129 PolarHBondContact O-N 3.32Å; W126-C130 PolarHBondContact O-N 2.94Å; W126-C130 PolarHBondContact O-SG 3.23Å
127R98.4Very high98.1Very high14 Ų1419.3 Ų19.35%0.0538%0.081CC..Hα-helixtrans-59.4-46.6176.7-60.3-48.6167.9-107.4-1.1111.8S72 Q123 M124 C130 V131 F146 V157 I159S72-R127 WeakPolarHBondContact O-CD 3.4Å; Q123-R127 WeakPolarHBondContact O-CG 3.46Å; Q123-R127 PolarHBondContact O-N 3.05Å; M124-R127 PolarHBondContact O-N 3.42Å; R127-C130 PolarHBondContact O-N 3.09Å; R127-V131 WeakPolarHBondContact O-CG2 3.37Å; R127-V131 PolarHBondContact O-N 3.19Å; R127-F146 HydrophobicContact CB-CE1 4.3Å; R127-V157 PolarHBondContact NE-O 3.3Å; R127-V157 PolarHBondContact NH2-O 3.15Å; R127-I159 HydrophobicContact CB-CB 4.08Å; R127-I159 HydrophobicContact CB-CD1 4.38Å; R127-I159 HydrophobicContact CB-CG2 3.84Å; R127-I159 HydrophobicContact CG-CB 4.3Å; R127-I159 HydrophobicContact CG-CG2 4.18Å
128I98.5Very high98Very high0 Ų019.3 Ų19.30%08%0.081CC..Hα-helixtrans-66.9-40.3179.7-65-49.6000111.8M124 L125 W126 C130 V131 H132 I141 F146 I159 D207 I208 L211M124-I128 WeakPolarHBondContact O-CG1 3.49Å; M124-I128 PolarHBondContact O-N 2.99Å; L125-I128 PolarHBondContact O-N 3.04Å; W126-I128 VanDerWaalsContact C-N 3.35Å; W126-I128 PolarHBondContact O-N 2.87Å; I128-C130 PolarHBondContact O-N 3.49Å; I128-V131 PolarHBondContact O-N 3.31Å; I128-H132 WeakPolarHBondContact CG2-CE1 3.17Å; I128-H132 VanDerWaalsContact O-CB 3.31Å; I128-H132 WeakPolarHBondContact O-CB 2.88Å; I128-H132 PolarHBondContact O-CD2 3.4Å; I128-H132 PolarHBondContact O-N 3.01Å; I128-I141 HydrophobicContact CD1-CD1 3.41Å; I128-I141 VanDerWaalsContact CD1-CD1 3.41Å; I128-I141 HydrophobicContact CG1-CD1 4.31Å; I128-F146 HydrophobicContact CD1-CZ 4.24Å; I128-F146 HydrophobicContact CG1-CZ 4.47Å; I128-I159 HydrophobicContact CD1-CD1 3.47Å; I128-I159 VanDerWaalsContact CD1-CD1 3.47Å; I128-D207 HydrophobicContact CG2-CB 4.11Å; I128-I208 HydrophobicContact CG2-CD1 4.09Å; I128-L211 HydrophobicContact CB-CD1 4.17Å; I128-L211 HydrophobicContact CG1-CD1 3.69Å; I128-L211 HydrophobicContact CG1-CG 4.24Å
129E98.3Very high98Very high42 Ų4221.2 Ų21.220%0.1969%0.088CC..Hα-helixtrans-58.6-45.9172.8-176.3171.4-152.400111.7L125 W126 V131 H132 Y133 Y278 R282L125-E129 WeakPolarHBondContact O-CB 3.1Å; L125-E129 PolarHBondContact O-N 3.37Å; W126-E129 WeakPolarHBondContact CZ3-OE2 3.22Å; W126-E129 PolarHBondContact O-N 3.32Å; E129-V131 PolarHBondContact O-N 2.97Å; E129-H132 PolarHBondContact O-N 2.9Å; E129-Y133 VanDerWaalsContact O-CB 3.26Å; E129-Y133 WeakPolarHBondContact O-CB 3.36Å; E129-Y133 PolarHBondContact O-N 2.98Å; E129-Y278 HydrophobicContact CB-CD1 3.68Å; E129-Y278 HydrophobicContact CB-CD2 4.21Å; E129-Y278 HydrophobicContact CB-CE1 3.88Å; E129-Y278 HydrophobicContact CB-CE2 4.42Å; E129-Y278 HydrophobicContact CB-CG 3.86Å; E129-Y278 HydrophobicContact CG-CD1 4.11Å; E129-Y278 HydrophobicContact CG-CD2 3.69Å; E129-Y278 HydrophobicContact CG-CE1 4.34Å; E129-Y278 HydrophobicContact CG-CE2 3.98Å; E129-Y278 HydrophobicContact CG-CG 3.78Å; E129-Y278 WeakPolarHBondContact OE1-CD2 3.22Å; E129-R282 IonicContact OE1-NH2 3.35Å; E129-R282 IonicContact OE2-CZ 2.65Å; E129-R282 IonicContact OE2-NH1 3.6Å; E129-R282 PolarHBondContact OE2-NH1 3.03Å; E129-R282 IonicContact OE2-NH2 2.83Å; E129-R282 PolarHBondContact OE2-NH2 3.41Å
130C97.5Very high98Very high4 Ų421.1 Ų21.13%0.0279%0.088CC..Hα-helixtrans-61.3-43.5177.9-69.40000112.4W126 R127 I128 Y133 R134W126-C130 PolarHBondContact O-N 2.94Å; W126-C130 PolarHBondContact O-SG 3.23Å; R127-C130 PolarHBondContact O-N 3.09Å; I128-C130 PolarHBondContact O-N 3.49Å; C130-Y133 WeakPolarHBondContact O-CB 3.46Å; C130-Y133 PolarHBondContact O-N 2.97Å; C130-R134 WeakPolarHBondContact O-CG 3.41Å; C130-R134 PolarHBondContact O-N 3.38Å; C130-R134 VanDerWaalsContact O-N 3.13Å
131V98.2Very high98Very high0 Ų021.3 Ų21.30%09%0.088CC..Hα-helixtrans-62.4-46.6176.4172.70000110.7L68 R127 I128 E129 Y133 R134 G135 L136 I159 F162L68-V131 HydrophobicContact CD1-CG2 4.24Å; L68-V131 HydrophobicContact CD2-CG2 4.4Å; R127-V131 WeakPolarHBondContact O-CG2 3.37Å; R127-V131 PolarHBondContact O-N 3.19Å; I128-V131 PolarHBondContact O-N 3.31Å; E129-V131 PolarHBondContact O-N 2.97Å; V131-Y133 VanDerWaalsContact C-N 3.33Å; V131-Y133 PolarHBondContact O-N 2.94Å; V131-R134 PolarHBondContact O-N 3.02Å; V131-G135 PolarHBondContact O-N 2.88Å; V131-L136 CarbonylContact C-O 3.52Å; V131-L136 HydrophobicContact CG1-CB 3.9Å; V131-L136 PolarHBondContact O-N 3.47Å; V131-I159 HydrophobicContact CG2-CG2 4.5Å; V131-F162 HydrophobicContact CG1-CE1 4.41Å; V131-F162 HydrophobicContact CG2-CE1 3.83Å; V131-F162 HydrophobicContact CG2-CZ 4.19Å
132H97.9Very high98Very high4 Ų422.6 Ų22.62%0.0199%0.094CC..Hα-helixtrans-63.4-38.4177.4-69.3178.9000112.3I128 E129 R134 G135 L136 F168 R204 D207 Y278I128-H132 WeakPolarHBondContact CG2-CE1 3.17Å; I128-H132 VanDerWaalsContact O-CB 3.31Å; I128-H132 WeakPolarHBondContact O-CB 2.88Å; I128-H132 PolarHBondContact O-CD2 3.4Å; I128-H132 PolarHBondContact O-N 3.01Å; E129-H132 PolarHBondContact O-N 2.9Å; H132-R134 VanDerWaalsContact C-N 3.3Å; H132-R134 PolarHBondContact O-N 2.93Å; H132-G135 WeakPolarHBondContact O-CA 3.35Å; H132-G135 PolarHBondContact O-N 2.96Å; H132-L136 VanDerWaalsContact CA-O 3.28Å; H132-L136 WeakPolarHBondContact CA-O 3.13Å; H132-L136 PolarHBondContact CD2-O 3.44Å; H132-L136 PolarHBondContact N-O 2.54Å; H132-F168 VanDerWaalsContact O-CE1 3.28Å; H132-F168 WeakPolarHBondContact O-CE1 3.4Å; H132-F168 WeakPolarHBondContact O-CZ 3.49Å; H132-R204 HydrophobicContact CB-CG 4.14Å; H132-R204 VanDerWaalsContact CE1-CA 3.48Å; H132-R204 WeakPolarHBondContact CE1-CA 3.47Å; H132-R204 PolarHBondContact CE1-O 2.83Å; H132-D207 IonicContact CD2-OD2 2.66Å; H132-D207 IonicContact CE1-OD2 2.64Å; H132-D207 IonicContact NE2-OD2 3.81Å; H132-D207 PolarHBondContact NE2-OD2 3.27Å; H132-Y278 WeakPolarHBondContact CB-OH 3.44Å; H132-Y278 AromaticContact ND1-CE1 3.93Å; H132-Y278 AromaticContact ND1-CZ 3.69Å; H132-Y278 PolarHBondContact ND1-OH 3.49Å
133Y95.6Very high98Very high143 Ų14320.7 Ų20.756%0.5619%0.085SC*.Hα-helixtrans-60.3-41.3175.8-177.4-97.3000111.4E129 C130 V131 G135 R169E129-Y133 VanDerWaalsContact O-CB 3.26Å; E129-Y133 WeakPolarHBondContact O-CB 3.36Å; E129-Y133 PolarHBondContact O-N 2.98Å; C130-Y133 WeakPolarHBondContact O-CB 3.46Å; C130-Y133 PolarHBondContact O-N 2.97Å; V131-Y133 VanDerWaalsContact C-N 3.33Å; V131-Y133 PolarHBondContact O-N 2.94Å; Y133-G135 PolarHBondContact O-N 3.3Å; Y133-G135 VanDerWaalsContact O-N 3.1Å; Y133-R169 PolarHBondContact O-NH2 2.65Å
134R95.6Very high97.9Very high72 Ų7223.2 Ų23.227%0.27210%0.099SC..THydrogen-bonded Turntrans-72.63.4174.4-63.1-77-168.8-170.9-1.9113.7V67 L68 S71 C130 V131 H132 E335V67-R134 HydrophobicContact CG1-CB 4.28Å; V67-R134 WeakPolarHBondContact O-CD 3.44Å; L68-R134 HydrophobicContact CD2-CB 3.62Å; L68-R134 HydrophobicContact CD2-CG 3.72Å; S71-R134 PolarHBondContact OG-NE 3.32Å; C130-R134 WeakPolarHBondContact O-CG 3.41Å; C130-R134 PolarHBondContact O-N 3.38Å; C130-R134 VanDerWaalsContact O-N 3.13Å; V131-R134 PolarHBondContact O-N 3.02Å; H132-R134 VanDerWaalsContact C-N 3.3Å; H132-R134 PolarHBondContact O-N 2.93Å; R134-E335 IonicContact NH2-OE1 3.12Å; R134-E335 PolarHBondContact NH2-OE1 3.02Å; R134-E335 VanDerWaalsContact NH2-OE1 3.12Å
135G97.1Very high97.9Very high3 Ų323.5 Ų23.53%0.03110%0.101CC..THydrogen-bonded Turntrans83.419.117300000114.2V131 H132 Y133 R167 F168V131-G135 PolarHBondContact O-N 2.88Å; H132-G135 WeakPolarHBondContact O-CA 3.35Å; H132-G135 PolarHBondContact O-N 2.96Å; Y133-G135 PolarHBondContact O-N 3.3Å; Y133-G135 VanDerWaalsContact O-N 3.1Å; G135-R167 WeakPolarHBondContact O-CA 3.24Å; G135-F168 VanDerWaalsContact C-CD1 3.45Å; G135-F168 WeakPolarHBondContact O-CD1 3.35Å; G135-F168 PolarHBondContact O-N 3.17Å
136L98.3Very high97.9Very high2 Ų223.5 Ų23.51%0.0110%0.101CC..EExtended strand (participates in β ladder)trans-114.8153.3-179-67.6157000110V64 V67 L68 V131 H132 K166 R167V64-L136 HydrophobicContact CG1-CD1 3.78Å; V67-L136 HydrophobicContact CB-CD1 4.39Å; V67-L136 HydrophobicContact CG1-CD1 3.92Å; L68-L136 HydrophobicContact CD1-CD1 4.5Å; L68-L136 HydrophobicContact CD2-CD1 3.86Å; L68-L136 HydrophobicContact CG-CD1 4.08Å; V131-L136 CarbonylContact C-O 3.52Å; V131-L136 HydrophobicContact CG1-CB 3.9Å; V131-L136 PolarHBondContact O-N 3.47Å; H132-L136 VanDerWaalsContact CA-O 3.28Å; H132-L136 WeakPolarHBondContact CA-O 3.13Å; H132-L136 PolarHBondContact CD2-O 3.44Å; H132-L136 PolarHBondContact N-O 2.54Å; L136-K166 CarbonylContact C-O 3.59Å; L136-K166 VanDerWaalsContact CA-O 3.28Å; L136-K166 WeakPolarHBondContact CA-O 3.03Å; L136-R167 HydrophobicContact CD2-CG 3.72Å
137I98.6Very high97.9Very high0 Ų022.5 Ų22.50%010%0.099CC..EExtended strand (participates in β ladder)trans-115.9148.7162.251.1173.2000107.8R139 A165 K166 F168 Q202 R204 D207I137-R139 HydrophobicContact CB-CG 4.31Å; I137-R139 HydrophobicContact CD1-CG 3.58Å; I137-R139 HydrophobicContact CG1-CG 3.75Å; I137-A165 CarbonylContact O-C 3.45Å; I137-A165 WeakPolarHBondContact O-CA 3.42Å; I137-A165 WeakPolarHBondContact O-CB 3.07Å; I137-K166 HydrophobicContact CD1-CB 4.47Å; I137-K166 HydrophobicContact CG1-CB 4.12Å; I137-K166 WeakPolarHBondContact CG1-O 3.42Å; I137-K166 PolarHBondContact N-O 3.42Å; I137-K166 PolarHBondContact O-N 3.34Å; I137-F168 HydrophobicContact CG1-CB 4.49Å; I137-F168 HydrophobicContact CG2-CB 4.09Å; I137-F168 HydrophobicContact CG2-CD1 3.75Å; I137-F168 HydrophobicContact CG2-CG 4.15Å; I137-Q202 VanDerWaalsContact CD1-C 3.48Å; I137-Q202 HydrophobicContact CD1-CB 3.98Å; I137-Q202 WeakPolarHBondContact CD1-O 3.31Å; I137-R204 HydrophobicContact CG2-CG 4.03Å; I137-D207 WeakPolarHBondContact CA-OD2 3.48Å; I137-D207 WeakPolarHBondContact CB-OD2 3.16Å
138H98.5Very high97.8Very high0 Ų021.9 Ų21.90%010%0.097CC..  trans-81.8-45.6-176.8-167-62.3000112.4D140 I141 I159 V160 D161 F162 L164 D207H138-D140 PolarHBondContact ND1-N 3.39Å; H138-D140 PolarHBondContact O-N 3.21Å; H138-I141 HydrophobicContact CB-CD1 3.65Å; H138-I159 WeakPolarHBondContact CD2-CD1 3.29Å; H138-V160 PolarHBondContact NE2-O 3.1Å; H138-D161 PolarHBondContact CE1-O 3.01Å; H138-D161 VanDerWaalsContact CE1-O 3.25Å; H138-F162 AromaticContact CD2-CD1 3.81Å; H138-F162 AromaticContact CD2-CE1 3.63Å; H138-L164 CarbonylContact O-C 3.48Å; H138-D207 PolarHBondContact N-OD2 2.65Å
139R98.3Very high97.7Very high43 Ų4321.9 Ų21.916%0.16210%0.097CC..SBendtrans64.79179.3-52.4-166.8-64.9164.70.6117I137 L164 G187 Q202 D207I137-R139 HydrophobicContact CB-CG 4.31Å; I137-R139 HydrophobicContact CD1-CG 3.58Å; I137-R139 HydrophobicContact CG1-CG 3.75Å; R139-L164 PolarHBondContact NE-O 3.13Å; R139-L164 PolarHBondContact NH2-O 2.82Å; R139-G187 WeakPolarHBondContact O-CA 3.44Å; R139-Q202 HydrophobicContact CG-CB 4.17Å; R139-D207 PolarHBondContact N-OD1 3.48Å
140D97.7Very high97.5Very high7 Ų723.2 Ų23.24%0.03711%0.105CC..  trans-147.850.8175.6-16232.1000111.5H138 K142 N145 L164 G187 T188H138-D140 PolarHBondContact ND1-N 3.39Å; H138-D140 PolarHBondContact O-N 3.21Å; D140-K142 PolarHBondContact O-N 3.16Å; D140-K142 IonicContact OD1-NZ 2.7Å; D140-K142 IonicContact OD2-NZ 4Å; D140-K142 PolarHBondContact OD2-NZ 3.39Å; D140-N145 PolarHBondContact O-ND2 3.42Å; D140-N145 PolarHBondContact OD2-ND2 2.9Å; D140-L164 HydrophobicContact CB-CB 4.49Å; D140-L164 HydrophobicContact CB-CD1 3.99Å; D140-G187 WeakPolarHBondContact OD1-CA 3.44Å; D140-T188 WeakPolarHBondContact OD1-CB 3.15Å; D140-T188 PolarHBondContact OD1-N 3.14Å; D140-T188 PolarHBondContact OD1-OG1 3.36Å
141I98.7Very high97.3Very high4 Ų425.4 Ų25.42%0.02113%0.128CC..  trans-66.5114.3176.1-56.2-51.2000109.2I128 H138 F146 Y191 D207 L211 V214I128-I141 HydrophobicContact CD1-CD1 3.41Å; I128-I141 VanDerWaalsContact CD1-CD1 3.41Å; I128-I141 HydrophobicContact CG1-CD1 4.31Å; H138-I141 HydrophobicContact CB-CD1 3.65Å; I141-F146 HydrophobicContact CD1-CE2 4.49Å; I141-F146 HydrophobicContact CD1-CZ 4.36Å; I141-F146 HydrophobicContact CG2-CE2 4.04Å; I141-Y191 WeakPolarHBondContact O-CB 3.37Å; I141-D207 HydrophobicContact CD1-CB 4.39Å; I141-D207 HydrophobicContact CG1-CB 4Å; I141-D207 WeakPolarHBondContact CG1-OD1 3.34Å; I141-L211 HydrophobicContact CG2-CD2 3.73Å; I141-L211 HydrophobicContact CG2-CG 3.97Å; I141-V214 HydrophobicContact CG2-CG2 4.12Å
142K98.1Very high97Very high27 Ų2730.2 Ų30.212%0.11716%0.159CC..  trans-157.8156.1176.767.4-165.3-171.9-152.60109.9D140 D144 N145 F146 T188 Y191D140-K142 PolarHBondContact O-N 3.16Å; D140-K142 IonicContact OD1-NZ 2.7Å; D140-K142 IonicContact OD2-NZ 4Å; D140-K142 PolarHBondContact OD2-NZ 3.39Å; K142-D144 HydrophobicContact CD-CB 4.35Å; K142-D144 HydrophobicContact CG-CB 4.08Å; K142-D144 PolarHBondContact O-N 2.9Å; K142-D144 VanDerWaalsContact O-N 3.16Å; K142-N145 WeakPolarHBondContact CE-ND2 3.31Å; K142-N145 VanDerWaalsContact CE-OD1 3.31Å; K142-N145 WeakPolarHBondContact CE-OD1 3.39Å; K142-N145 HydrophobicContact CG-CB 4.15Å; K142-N145 PolarHBondContact O-N 2.8Å; K142-F146 WeakPolarHBondContact O-CD2 3.31Å; K142-T188 HydrophobicContact CD-CG2 4.48Å; K142-T188 VanDerWaalsContact CD-OG1 3.25Å; K142-T188 WeakPolarHBondContact CD-OG1 3Å; K142-Y191 HydrophobicContact CB-CD2 3.42Å; K142-Y191 VanDerWaalsContact CB-CD2 3.42Å; K142-Y191 HydrophobicContact CB-CE2 3.62Å; K142-Y191 HydrophobicContact CB-CG 4.33Å
143P98.6Very high96.7Very high0 Ų034.2 Ų34.20%018%0.178CC..G310 helixtrans-55.5-32.7-178.8-27.137.4000114.1L101 E102 N145 F146 Y191 V214 Y217 F218L101-P143 HydrophobicContact CB-CB 4.1Å; L101-P143 PolarHBondContact N-O 3.19Å; E102-P143 HydrophobicContact CB-CB 3.92Å; P143-N145 PolarHBondContact O-N 3.01Å; P143-F146 PolarHBondContact O-N 3.15Å; P143-F146 VanDerWaalsContact O-O 3.05Å; P143-Y191 HydrophobicContact CG-CE1 4.44Å; P143-V214 HydrophobicContact CG-CG1 4.1Å; P143-Y217 HydrophobicContact CG-CD1 3.94Å; P143-Y217 HydrophobicContact CG-CE1 3.88Å; P143-F218 HydrophobicContact CB-CE1 3.74Å; P143-F218 HydrophobicContact CB-CZ 3.71Å; P143-F218 HydrophobicContact CG-CE1 3.64Å; P143-F218 HydrophobicContact CG-CZ 3.69Å
144D97.1Very high96.6Very high72 Ų7227.9 Ų27.939%0.38515%0.154SC..G310 helixtrans-62.1-25.6177.3-44.1-110.6000113.5K142 L147K142-D144 HydrophobicContact CD-CB 4.35Å; K142-D144 HydrophobicContact CG-CB 4.08Å; K142-D144 PolarHBondContact O-N 2.9Å; K142-D144 VanDerWaalsContact O-N 3.16Å; D144-L147 WeakPolarHBondContact O-CD1 3.48Å
145N97.6Very high96.5Very high7 Ų725.8 Ų25.84%0.03715%0.149CC..G310 helixtrans-95.75.9-177.3-72.4-6.3000113.1D140 K142 P143 I159 V160 D161D140-N145 PolarHBondContact O-ND2 3.42Å; D140-N145 PolarHBondContact OD2-ND2 2.9Å; K142-N145 WeakPolarHBondContact CE-ND2 3.31Å; K142-N145 VanDerWaalsContact CE-OD1 3.31Å; K142-N145 WeakPolarHBondContact CE-OD1 3.39Å; K142-N145 HydrophobicContact CG-CB 4.15Å; K142-N145 PolarHBondContact O-N 2.8Å; P143-N145 PolarHBondContact O-N 3.01Å; N145-I159 WeakPolarHBondContact O-CA 3.25Å; N145-V160 PolarHBondContact O-N 2.76Å; N145-D161 WeakPolarHBondContact OD1-CB 3.12Å
146F98.5Very high96.5Very high0 Ų027.6 Ų27.60%015%0.154CC..EExtended strand (participates in β ladder)trans-118.1120169.9-68.7-88.5000108.6S100 L101 M124 R127 I128 I141 K142 P143 V157 F158 I159 L211S100-F146 CarbonylContact C-O 3.53Å; S100-F146 WeakPolarHBondContact CA-O 3.05Å; L101-F146 HydrophobicContact CD1-CB 3.59Å; L101-F146 HydrophobicContact CD1-CG 4.4Å; L101-F146 HydrophobicContact CG-CB 3.85Å; L101-F146 WeakPolarHBondContact CG-O 3.47Å; L101-F146 PolarHBondContact N-O 3.03Å; M124-F146 HydrophobicContact CB-CD1 4.49Å; M124-F146 HydrophobicContact CB-CE1 4.08Å; M124-F146 HydrophobicContact CE-CD1 4.13Å; M124-F146 HydrophobicContact CE-CD2 3.54Å; M124-F146 HydrophobicContact CE-CE1 4.13Å; M124-F146 HydrophobicContact CE-CE2 3.57Å; M124-F146 HydrophobicContact CE-CG 3.83Å; M124-F146 HydrophobicContact CE-CZ 3.86Å; M124-F146 HydrophobicContact CG-CD1 3.83Å; M124-F146 HydrophobicContact CG-CE1 3.92Å; M124-F146 HydrophobicContact CG-CG 4.32Å; R127-F146 HydrophobicContact CB-CE1 4.3Å; I128-F146 HydrophobicContact CD1-CZ 4.24Å; I128-F146 HydrophobicContact CG1-CZ 4.47Å; I141-F146 HydrophobicContact CD1-CE2 4.49Å; I141-F146 HydrophobicContact CD1-CZ 4.36Å; I141-F146 HydrophobicContact CG2-CE2 4.04Å; K142-F146 WeakPolarHBondContact O-CD2 3.31Å; P143-F146 PolarHBondContact O-N 3.15Å; P143-F146 VanDerWaalsContact O-O 3.05Å; F146-V157 HydrophobicContact CB-CG1 4Å; F146-V157 HydrophobicContact CD1-CG1 3.75Å; F146-V157 HydrophobicContact CG-CG1 4.34Å; F146-F158 CarbonylContact C-O 3.6Å; F146-F158 VanDerWaalsContact CA-O 3.24Å; F146-F158 WeakPolarHBondContact CA-O 3.28Å; F146-I159 HydrophobicContact CD1-CB 4.25Å; F146-I159 HydrophobicContact CD1-CG1 4.45Å; F146-I159 HydrophobicContact CE1-CB 4.07Å; F146-I159 HydrophobicContact CE1-CD1 3.8Å; F146-I159 HydrophobicContact CE1-CG1 4.02Å; F146-I159 HydrophobicContact CZ-CD1 3.8Å; F146-I159 HydrophobicContact CZ-CG1 4.28Å; F146-L211 HydrophobicContact CE2-CD2 4.43Å; F146-L211 HydrophobicContact CZ-CD2 4.14Å
147L98.1Very high96.5Very high29 Ų2927.5 Ų27.515%0.15215%0.154CC..EExtended strand (participates in β ladder)trans-118.7149.8-177.6-76.567.6000109.9L97 G98 D144 V157 F158 V160L97-L147 HydrophobicContact CB-CB 4.11Å; L97-L147 HydrophobicContact CB-CD2 3.84Å; L97-L147 HydrophobicContact CD1-CB 4.08Å; L97-L147 HydrophobicContact CD1-CD2 4.23Å; G98-L147 WeakPolarHBondContact O-CD2 3.32Å; D144-L147 WeakPolarHBondContact O-CD1 3.48Å; L147-V157 CarbonylContact O-C 3.6Å; L147-V157 WeakPolarHBondContact O-CA 3.3Å; L147-F158 PolarHBondContact N-O 2.86Å; L147-F158 PolarHBondContact O-N 3.35Å; L147-V160 HydrophobicContact CD1-CG1 4.32Å; L147-V160 HydrophobicContact CD1-CG2 3.48Å; L147-V160 VanDerWaalsContact CD1-CG2 3.48Å
148M97.9Very high96.5Very high0 Ų028.3 Ų28.30%016%0.157CC..EExtended strand (participates in β ladder)trans-77.2150.8167.7-59.9-53.8-63.900109.9G98 P99 L101 L104 L120 C154 R156 V157 Y300 W302 L350G98-M148 WeakPolarHBondContact CA-O 3.37Å; G98-M148 PolarHBondContact N-O 3.17Å; P99-M148 PolarHBondContact O-N 3.14Å; L101-M148 HydrophobicContact CD2-CG 4.44Å; L101-M148 HydrophobicContact CD2-SD 3.95Å; L104-M148 HydrophobicContact CD1-CG 3.53Å; L120-M148 HydrophobicContact CD2-SD 4.4Å; M148-C154 WeakPolarHBondContact CE-O 3.39Å; M148-R156 CarbonylContact C-O 3.51Å; M148-V157 HydrophobicContact CE-CG2 4.27Å; M148-V157 HydrophobicContact SD-CG2 3.74Å; M148-Y300 HydrophobicContact CE-CE2 3.94Å; M148-W302 HydrophobicContact CE-CZ2 4.42Å; M148-W302 HydrophobicContact CG-CZ2 4.24Å; M148-W302 HydrophobicContact SD-CZ2 4.2Å; M148-L350 HydrophobicContact CB-CD2 4.19Å; M148-L350 HydrophobicContact CG-CD2 4.45Å
149G96.1Very high96.5Very high1 Ų128.3 Ų28.31%0.0116%0.157CC..  trans-67.6179167.100000111.8H153 C154 R156 L350G149-H153 VanDerWaalsContact CA-O 3.27Å; G149-H153 WeakPolarHBondContact CA-O 3.41Å; G149-H153 PolarHBondContact N-O 3.37Å; G149-C154 WeakPolarHBondContact O-CA 3.2Å; G149-R156 PolarHBondContact N-O 3.04Å; G149-L350 WeakPolarHBondContact O-CD1 3.38Å
150I94.1Very high96.4Very high69 Ų6927.2 Ų27.235%0.35416%0.156SC..  trans-117163.6173.756.8177.2000110.5L96 H153L96-I150 HydrophobicContact CB-CD1 4.4Å; L96-I150 HydrophobicContact CG-CD1 4.48Å; L96-I150 WeakPolarHBondContact O-CD1 3.34Å; I150-H153 PolarHBondContact O-N 2.89Å
151G92.6Very high96.3Very high51 Ų5128 Ų2853%0.52616%0.159SC..G310 helixtrans54-128.5176.900000112.4H153 C154G151-H153 PolarHBondContact O-N 3.5Å; G151-C154 WeakPolarHBondContact O-CB 3.29Å; G151-C154 PolarHBondContact O-N 2.72Å; G151-C154 PolarHBondContact O-SG 2.93Å
152P91.5Very high96.1Very high100 Ų10027.8 Ų27.865%0.64916%0.159SC*.G310 helixtrans-58.6-19.2178.4-23.733.9000114.6
153H92.6Very high96Very high89 Ų8926.8 Ų26.841%0.41216%0.156SC..G310 helixtrans-100.512.3-179.4-57.4-48000113.4G149 I150 G151 N155 R156 F158G149-H153 VanDerWaalsContact CA-O 3.27Å; G149-H153 WeakPolarHBondContact CA-O 3.41Å; G149-H153 PolarHBondContact N-O 3.37Å; I150-H153 PolarHBondContact O-N 2.89Å; G151-H153 PolarHBondContact O-N 3.5Å; H153-N155 PolarHBondContact O-N 3.29Å; H153-N155 VanDerWaalsContact O-N 3.1Å; H153-R156 HydrophobicContact CB-CB 4.44Å; H153-R156 WeakPolarHBondContact O-CB 3.31Å; H153-R156 PolarHBondContact O-N 3.34Å; H153-F158 HydrophobicContact CB-CE2 4.34Å
154C93.5Very high95.8Very high9 Ų928.3 Ų28.36%0.06116%0.164CC..THydrogen-bonded Turntrans-57.7-24.2-178.458.60000115M148 G149 G151 L350M148-C154 WeakPolarHBondContact CE-O 3.39Å; G149-C154 WeakPolarHBondContact O-CA 3.2Å; G151-C154 WeakPolarHBondContact O-CB 3.29Å; G151-C154 PolarHBondContact O-N 2.72Å; G151-C154 PolarHBondContact O-SG 2.93Å; C154-L350 HydrophobicContact CB-CD1 4.49Å; C154-L350 HydrophobicContact CB-CG 4.36Å
155N93.5Very high95.9Very high29 Ų2925 Ų2516%0.15515%0.147CC..THydrogen-bonded Turntrans-89.8-1.8176.7-67.2-28.5000113.7Q123 H153 Y298 Y300Q123-N155 PolarHBondContact NE2-O 2.8Å; Q123-N155 PolarHBondContact OE1-O 3.42Å; H153-N155 PolarHBondContact O-N 3.29Å; H153-N155 VanDerWaalsContact O-N 3.1Å; N155-Y298 HydrophobicContact CB-CD1 4.05Å; N155-Y298 HydrophobicContact CB-CG 4.05Å; N155-Y300 PolarHBondContact O-OH 2.88Å
156R96.3Very high95.9Very high41 Ų4127.1 Ų27.116%0.15516%0.156CC..  trans-98.2126.1-178.3-174.9177.5-67170.32.6110.5M148 G149 H153 F158 D340M148-R156 CarbonylContact C-O 3.51Å; G149-R156 PolarHBondContact N-O 3.04Å; H153-R156 HydrophobicContact CB-CB 4.44Å; H153-R156 WeakPolarHBondContact O-CB 3.31Å; H153-R156 PolarHBondContact O-N 3.34Å; R156-F158 HydrophobicContact CB-CE2 3.95Å; R156-F158 HydrophobicContact CG-CD2 4.23Å; R156-F158 HydrophobicContact CG-CE2 3.78Å; R156-F158 HydrophobicContact CG-CZ 4.29Å; R156-F158 WeakPolarHBondContact O-CD2 3.37Å; R156-D340 IonicContact CZ-OD1 2.74Å; R156-D340 IonicContact CZ-OD2 3.76Å; R156-D340 IonicContact NE-OD1 2.84Å; R156-D340 IonicContact NH2-OD1 3.08Å; R156-D340 PolarHBondContact NH2-OD1 3.34Å; R156-D340 IonicContact NH2-OD2 2.58Å; R156-D340 PolarHBondContact NH2-OD2 3.17Å
157V98.4Very high95.8Very high0 Ų031.9 Ų31.90%017%0.174CC..EExtended strand (participates in β ladder)trans-77.4137.2168.9179.70000109.1L120 Q123 M124 R127 F146 L147 M148L120-V157 HydrophobicContact CD2-CG2 3.63Å; Q123-V157 HydrophobicContact CB-CB 3.99Å; Q123-V157 HydrophobicContact CB-CG2 3.93Å; Q123-V157 HydrophobicContact CG-CG2 4.45Å; M124-V157 HydrophobicContact CG-CG1 4.27Å; R127-V157 PolarHBondContact NE-O 3.3Å; R127-V157 PolarHBondContact NH2-O 3.15Å; F146-V157 HydrophobicContact CB-CG1 4Å; F146-V157 HydrophobicContact CD1-CG1 3.75Å; F146-V157 HydrophobicContact CG-CG1 4.34Å; L147-V157 CarbonylContact O-C 3.6Å; L147-V157 WeakPolarHBondContact O-CA 3.3Å; M148-V157 HydrophobicContact CE-CG2 4.27Å; M148-V157 HydrophobicContact SD-CG2 3.74Å
158F98.5Very high95.8Very high16 Ų1630.6 Ų30.67%0.0717%0.167CC..EExtended strand (participates in β ladder)trans-116.5147.6172.6-73.7-103.2000109.5G73 L97 F146 L147 H153 R156G73-F158 VanDerWaalsContact C-CD1 3.49Å; G73-F158 CarbonylContact O-C 3.58Å; G73-F158 WeakPolarHBondContact O-CA 3.44Å; L97-F158 HydrophobicContact CD1-CB 3.61Å; L97-F158 HydrophobicContact CD1-CD1 4.36Å; L97-F158 HydrophobicContact CD1-CG 3.99Å; L97-F158 HydrophobicContact CD2-CB 4.29Å; L97-F158 HydrophobicContact CD2-CD1 3.92Å; L97-F158 HydrophobicContact CD2-CD2 3.84Å; L97-F158 HydrophobicContact CD2-CE1 4.16Å; L97-F158 HydrophobicContact CD2-CE2 4.1Å; L97-F158 HydrophobicContact CD2-CG 3.76Å; L97-F158 HydrophobicContact CD2-CZ 4.24Å; F146-F158 CarbonylContact C-O 3.6Å; F146-F158 VanDerWaalsContact CA-O 3.24Å; F146-F158 WeakPolarHBondContact CA-O 3.28Å; L147-F158 PolarHBondContact N-O 2.86Å; L147-F158 PolarHBondContact O-N 3.35Å; H153-F158 HydrophobicContact CB-CE2 4.34Å; R156-F158 HydrophobicContact CB-CE2 3.95Å; R156-F158 HydrophobicContact CG-CD2 4.23Å; R156-F158 HydrophobicContact CG-CE2 3.78Å; R156-F158 HydrophobicContact CG-CZ 4.29Å; R156-F158 WeakPolarHBondContact O-CD2 3.37Å
159I98.5Very high95.8Very high0 Ų033 Ų330%018%0.176CC..EExtended strand (participates in β ladder)trans-106.5136173.8-173.6166000110.2G73 V74 P75 R127 I128 V131 H138 N145 F146 F162G73-I159 PolarHBondContact O-N 3.44Å; V74-I159 HydrophobicContact CG2-CG2 4.1Å; P75-I159 WeakPolarHBondContact CD-O 3.42Å; R127-I159 HydrophobicContact CB-CB 4.08Å; R127-I159 HydrophobicContact CB-CD1 4.38Å; R127-I159 HydrophobicContact CB-CG2 3.84Å; R127-I159 HydrophobicContact CG-CB 4.3Å; R127-I159 HydrophobicContact CG-CG2 4.18Å; I128-I159 HydrophobicContact CD1-CD1 3.47Å; I128-I159 VanDerWaalsContact CD1-CD1 3.47Å; V131-I159 HydrophobicContact CG2-CG2 4.5Å; H138-I159 WeakPolarHBondContact CD2-CD1 3.29Å; N145-I159 WeakPolarHBondContact O-CA 3.25Å; F146-I159 HydrophobicContact CD1-CB 4.25Å; F146-I159 HydrophobicContact CD1-CG1 4.45Å; F146-I159 HydrophobicContact CE1-CB 4.07Å; F146-I159 HydrophobicContact CE1-CD1 3.8Å; F146-I159 HydrophobicContact CE1-CG1 4.02Å; F146-I159 HydrophobicContact CZ-CD1 3.8Å; F146-I159 HydrophobicContact CZ-CG1 4.28Å; I159-F162 HydrophobicContact CG1-CZ 4.22Å; I159-F162 HydrophobicContact CG2-CZ 3.84Å
160V96.6Very high95.7Very high21 Ų2136.7 Ų36.713%0.12720%0.195CC..  trans-138.2176.4-174-53.50000112.5Y65 P75 L97 H138 N145 L147Y65-V160 WeakPolarHBondContact OH-CA 3.26Å; P75-V160 HydrophobicContact CG-CG1 3.86Å; L97-V160 HydrophobicContact CD1-CG1 3.76Å; H138-V160 PolarHBondContact NE2-O 3.1Å; N145-V160 PolarHBondContact O-N 2.76Å; L147-V160 HydrophobicContact CD1-CG1 4.32Å; L147-V160 HydrophobicContact CD1-CG2 3.48Å; L147-V160 VanDerWaalsContact CD1-CG2 3.48Å
161D94.8Very high95.5Very high22 Ų2239.3 Ų39.312%0.11821%0.206CC..  trans63.563.4176.4-160.223.6000114K47 H138 N145 G163K47-D161 IonicContact NZ-OD1 3.4Å; K47-D161 PolarHBondContact NZ-OD1 3.4Å; K47-D161 VanDerWaalsContact NZ-OD1 3.08Å; H138-D161 PolarHBondContact CE1-O 3.01Å; H138-D161 VanDerWaalsContact CE1-O 3.25Å; N145-D161 WeakPolarHBondContact OD1-CB 3.12Å; D161-G163 PolarHBondContact O-N 3.49Å
162F96.4Very high95.4Very high0 Ų047.4 Ų47.40%022%0.221CC..G310 helixtrans-81.716176.8-62.6-79.1000113.7E61 V64 Y65 L68 V74 V131 H138 I159 L164 A165E61-F162 HydrophobicContact CG-CB 4.14Å; V64-F162 HydrophobicContact CB-CB 4.06Å; V64-F162 HydrophobicContact CG1-CB 3.63Å; V64-F162 HydrophobicContact CG1-CD1 4.01Å; V64-F162 HydrophobicContact CG1-CG 3.82Å; Y65-F162 HydrophobicContact CD1-CD2 4.28Å; Y65-F162 HydrophobicContact CD1-CE2 4.29Å; Y65-F162 HydrophobicContact CD2-CD2 4.32Å; Y65-F162 AromaticContact CE1-CD2 3.78Å; Y65-F162 HydrophobicContact CE1-CD2 3.78Å; Y65-F162 AromaticContact CE1-CE2 3.67Å; Y65-F162 HydrophobicContact CE1-CE2 3.67Å; Y65-F162 AromaticContact CE2-CD2 3.83Å; Y65-F162 HydrophobicContact CE2-CD2 3.83Å; Y65-F162 AromaticContact CZ-CD2 3.52Å; Y65-F162 AromaticContact CZ-CE2 3.81Å; L68-F162 HydrophobicContact CD1-CD1 3.89Å; L68-F162 HydrophobicContact CD1-CD2 4.19Å; L68-F162 HydrophobicContact CD1-CE1 3.42Å; L68-F162 VanDerWaalsContact CD1-CE1 3.42Å; L68-F162 HydrophobicContact CD1-CE2 3.77Å; L68-F162 HydrophobicContact CD1-CG 4.25Å; L68-F162 HydrophobicContact CD1-CZ 3.34Å; V74-F162 HydrophobicContact CG1-CE2 4.3Å; V131-F162 HydrophobicContact CG1-CE1 4.41Å; V131-F162 HydrophobicContact CG2-CE1 3.83Å; V131-F162 HydrophobicContact CG2-CZ 4.19Å; H138-F162 AromaticContact CD2-CD1 3.81Å; H138-F162 AromaticContact CD2-CE1 3.63Å; I159-F162 HydrophobicContact CG1-CZ 4.22Å; I159-F162 HydrophobicContact CG2-CZ 3.84Å; F162-L164 PolarHBondContact O-N 2.85Å; F162-A165 HydrophobicContact CB-CB 3.97Å; F162-A165 HydrophobicContact CD1-CB 4.12Å; F162-A165 VanDerWaalsContact O-CB 3.31Å; F162-A165 WeakPolarHBondContact O-CB 3.44Å; F162-A165 PolarHBondContact O-N 3.06Å
163G94.4Very high95.6Very high7 Ų746.3 Ų46.37%0.07221%0.212CC..G310 helixtrans-59-28.4-179.900000113.5D161D161-G163 PolarHBondContact O-N 3.49Å
164L95.8Very high95.7Very high31 Ų3147.3 Ų47.316%0.16222%0.215CC..G310 helixtrans-101.72.7175.6-62.1-178000113.9F29 H138 R139 D140 F162 T186F29-L164 HydrophobicContact CZ-CD1 4.47Å; F29-L164 HydrophobicContact CZ-CD2 4.31Å; F29-L164 HydrophobicContact CZ-CG 4.31Å; H138-L164 CarbonylContact O-C 3.48Å; R139-L164 PolarHBondContact NE-O 3.13Å; R139-L164 PolarHBondContact NH2-O 2.82Å; D140-L164 HydrophobicContact CB-CB 4.49Å; D140-L164 HydrophobicContact CB-CD1 3.99Å; F162-L164 PolarHBondContact O-N 2.85Å; L164-T186 HydrophobicContact CB-CG2 4.49Å; L164-T186 HydrophobicContact CD1-CG2 4.26Å; L164-T186 HydrophobicContact CD2-CG2 4.35Å
165A97.6Very high95.8Very high2 Ų250.7 Ų50.72%0.01724%0.238CC..  trans-61.1157.9179.800000111.8Y60 V64 I137 F162Y60-A165 VanDerWaalsContact CE1-O 3.24Å; Y60-A165 WeakPolarHBondContact CE1-O 3.35Å; Y60-A165 PolarHBondContact OH-O 3.04Å; Y60-A165 VanDerWaalsContact OH-O 3.12Å; V64-A165 HydrophobicContact CG1-CB 4.22Å; V64-A165 HydrophobicContact CG2-CB 4.39Å; I137-A165 CarbonylContact O-C 3.45Å; I137-A165 WeakPolarHBondContact O-CA 3.42Å; I137-A165 WeakPolarHBondContact O-CB 3.07Å; F162-A165 HydrophobicContact CB-CB 3.97Å; F162-A165 HydrophobicContact CD1-CB 4.12Å; F162-A165 VanDerWaalsContact O-CB 3.31Å; F162-A165 WeakPolarHBondContact O-CB 3.44Å; F162-A165 PolarHBondContact O-N 3.06Å
166K97.4Very high96Very high53 Ų5351.5 Ų51.523%0.2324%0.241CC..EExtended strand (participates in β ladder)trans-148.6147.1179.1-169.2-173178-162.30110.9L136 I137 F168 E201L136-K166 CarbonylContact C-O 3.59Å; L136-K166 VanDerWaalsContact CA-O 3.28Å; L136-K166 WeakPolarHBondContact CA-O 3.03Å; I137-K166 HydrophobicContact CD1-CB 4.47Å; I137-K166 HydrophobicContact CG1-CB 4.12Å; I137-K166 WeakPolarHBondContact CG1-O 3.42Å; I137-K166 PolarHBondContact N-O 3.42Å; I137-K166 PolarHBondContact O-N 3.34Å; K166-F168 PolarHBondContact O-N 3.16Å; K166-E201 IonicContact NZ-OE1 2.71Å; K166-E201 PolarHBondContact NZ-OE1 3.21Å; K166-E201 IonicContact NZ-OE2 2.71Å; K166-E201 PolarHBondContact NZ-OE2 3.1Å
167R97.9Very high96.1Very high100 Ų10051.2 Ų51.238%0.37724%0.242SC..EExtended strand (participates in β ladder)trans-72.4125.9168.2-67.5-176.8178.9-79.32.1109.9G135 L136G135-R167 WeakPolarHBondContact O-CA 3.24Å; L136-R167 HydrophobicContact CD2-CG 3.72Å
168F98Very high96.1Very high1 Ų155.1 Ų55.10%0.00427%0.267CS..  trans-98.5-7.6174.474.9-90.9000112.6H132 G135 I137 K166 H176 I177 R204H132-F168 VanDerWaalsContact O-CE1 3.28Å; H132-F168 WeakPolarHBondContact O-CE1 3.4Å; H132-F168 WeakPolarHBondContact O-CZ 3.49Å; G135-F168 VanDerWaalsContact C-CD1 3.45Å; G135-F168 WeakPolarHBondContact O-CD1 3.35Å; G135-F168 PolarHBondContact O-N 3.17Å; I137-F168 HydrophobicContact CG1-CB 4.49Å; I137-F168 HydrophobicContact CG2-CB 4.09Å; I137-F168 HydrophobicContact CG2-CD1 3.75Å; I137-F168 HydrophobicContact CG2-CG 4.15Å; K166-F168 PolarHBondContact O-N 3.16Å; F168-H176 AromaticContact CD2-CD2 3.61Å; F168-H176 AromaticContact CD2-NE2 3.55Å; F168-I177 HydrophobicContact CB-CD1 4.48Å; F168-I177 WeakPolarHBondContact O-CG1 3.33Å; F168-I177 PolarHBondContact O-N 3.22Å; F168-R204 HydrophobicContact CD1-CG 4.17Å; F168-R204 HydrophobicContact CD2-CG 4.27Å; F168-R204 HydrophobicContact CE1-CG 3.92Å; F168-R204 HydrophobicContact CE2-CG 4.07Å; F168-R204 VanDerWaalsContact CE2-CZ 3.49Å; F168-R204 HydrophobicContact CG-CG 4.33Å; F168-R204 VanDerWaalsContact CZ-CD 3.44Å; F168-R204 HydrophobicContact CZ-CG 3.88Å
169R96.9Very high96.1Very high52 Ų5260 Ų6020%0.19629%0.286CS..BIsolated β-bridgetrans-148156.6176.262.7178.2177.5-174.10.3111.8Y133 C175Y133-R169 PolarHBondContact O-NH2 2.65Å; R169-C175 CarbonylContact C-O 3.53Å; R169-C175 WeakPolarHBondContact CA-O 3.39Å; R169-C175 VanDerWaalsContact CB-O 3.28Å; R169-C175 WeakPolarHBondContact CB-O 3.33Å
170D94.7Very high96Very high77 Ų7765.7 Ų65.741%0.41231%0.308SS..  trans-65.8139.6170.6-174.2-94.7000110.8R172 T173 K174 C175D170-R172 WeakPolarHBondContact OD1-CA 3.49Å; D170-R172 WeakPolarHBondContact OD1-CB 3.24Å; D170-R172 PolarHBondContact OD1-N 2.92Å; D170-T173 VanDerWaalsContact CB-OG1 3.3Å; D170-T173 WeakPolarHBondContact CB-OG1 3.41Å; D170-T173 PolarHBondContact OD1-N 2.99Å; D170-T173 PolarHBondContact OD1-OG1 2.95Å; D170-K174 WeakPolarHBondContact O-CA 3.46Å; D170-K174 PolarHBondContact O-N 3.24Å; D170-K174 VanDerWaalsContact O-N 3.13Å; D170-C175 PolarHBondContact N-O 3.28Å
171H89Confident96Very high125 Ų12570 Ų7058%0.57933%0.33SS*.THydrogen-bonded Turntrans-71.4-33-176.6-179.570.3000112.6K174H171-K174 WeakPolarHBondContact O-CE 3.36Å; H171-K174 PolarHBondContact O-NZ 2.72Å
172R92.1Very high96.1Very high221 Ų22174.1 Ų74.183%0.83435%0.352SS*.THydrogen-bonded Turntrans-89.8-54.4-175.6-174.1177.166.7172.22.1111.2D170 K174D170-R172 WeakPolarHBondContact OD1-CA 3.49Å; D170-R172 WeakPolarHBondContact OD1-CB 3.24Å; D170-R172 PolarHBondContact OD1-N 2.92Å; R172-K174 VanDerWaalsContact C-N 3.35Å
173T95.2Very high96.1Very high76 Ų7676.9 Ų76.947%0.46636%0.364SS..THydrogen-bonded Turntrans-82.7-14.2-17670.10000113.2D170 C175D170-T173 VanDerWaalsContact CB-OG1 3.3Å; D170-T173 WeakPolarHBondContact CB-OG1 3.41Å; D170-T173 PolarHBondContact OD1-N 2.99Å; D170-T173 PolarHBondContact OD1-OG1 2.95Å; T173-C175 PolarHBondContact O-N 3.21Å; T173-C175 WeakPolarHBondContact OG1-CB 3.45Å; T173-C175 PolarHBondContact OG1-N 3.46Å; T173-C175 PolarHBondContact OG1-SG 3.41Å
174K93.6Very high96.1Very high111 Ų11183.4 Ų83.448%0.48340%0.397SS..  trans59.27.5-172-51.1-55.6-174.9-166.90114.4D170 H171 R172 H176D170-K174 WeakPolarHBondContact O-CA 3.46Å; D170-K174 PolarHBondContact O-N 3.24Å; D170-K174 VanDerWaalsContact O-N 3.13Å; H171-K174 WeakPolarHBondContact O-CE 3.36Å; H171-K174 PolarHBondContact O-NZ 2.72Å; R172-K174 VanDerWaalsContact C-N 3.35Å; K174-H176 PolarHBondContact O-N 2.98Å
175C96.7Very high96.1Very high80 Ų8084 Ų8454%0.54140%0.4SS..PPolyproline II helixtrans-62.1132177-64.10000110.4R169 D170 T173R169-C175 CarbonylContact C-O 3.53Å; R169-C175 WeakPolarHBondContact CA-O 3.39Å; R169-C175 VanDerWaalsContact CB-O 3.28Å; R169-C175 WeakPolarHBondContact CB-O 3.33Å; D170-C175 PolarHBondContact N-O 3.28Å; T173-C175 PolarHBondContact O-N 3.21Å; T173-C175 WeakPolarHBondContact OG1-CB 3.45Å; T173-C175 PolarHBondContact OG1-N 3.46Å; T173-C175 PolarHBondContact OG1-SG 3.41Å
176H98.3Very high95.9Very high45 Ų4585.7 Ų85.721%0.20841%0.41CS..BIsolated β-bridgetrans-68149.7176.2-159.7-82.7000111F168 K174 S203 F272 D273F168-H176 AromaticContact CD2-CD2 3.61Å; F168-H176 AromaticContact CD2-NE2 3.55Å; K174-H176 PolarHBondContact O-N 2.98Å; H176-S203 PolarHBondContact CE1-OG 2.71Å; H176-S203 PolarHBondContact NE2-OG 2.88Å; H176-F272 AromaticContact CE1-CD1 3.92Å; H176-F272 AromaticContact CE1-CE1 3.54Å; H176-F272 AromaticContact CE1-CZ 3.7Å; H176-F272 PolarHBondContact CE1-O 3.47Å; H176-F272 AromaticContact ND1-CE1 3.61Å; H176-F272 PolarHBondContact NE2-O 3.18Å; H176-D273 HydrophobicContact CB-CB 4.19Å
177I97.9Very high95.8Very high36 Ų3684.2 Ų84.219%0.18541%0.41CS..PPolyproline II helixtrans-63150.9170.659.8172.7000110.4F168 E201 F272F168-I177 HydrophobicContact CB-CD1 4.48Å; F168-I177 WeakPolarHBondContact O-CG1 3.33Å; F168-I177 PolarHBondContact O-N 3.22Å; I177-E201 HydrophobicContact CD1-CG 3.83Å; I177-F272 HydrophobicContact CD1-CZ 4.39Å; I177-F272 HydrophobicContact CG1-CZ 4.08Å; I177-F272 WeakPolarHBondContact O-CE1 3.4Å
178P97.5Very high95.7Very high82 Ų8281.5 Ų81.553%0.53241%0.405SS..PPolyproline II helixtrans-68.8150.4178.328.6-35.7000111.8
179Y98.2Very high95.6Very high117 Ų11782 Ų8246%0.45941%0.409SS..PPolyproline II helixtrans-64.4140.4171.4-177.5-86.3000110.7D181 I200 F272Y179-D181 HydrophobicContact CE1-CB 4.15Å; Y179-I200 HydrophobicContact CD2-CG2 4.39Å; Y179-I200 HydrophobicContact CE2-CG2 3.55Å; Y179-I200 WeakPolarHBondContact OH-CD1 3.4Å; Y179-F272 VanDerWaalsContact CA-CE1 3.45Å; Y179-F272 HydrophobicContact CD2-CB 4.03Å; Y179-F272 AromaticContact CD2-CD1 3.92Å; Y179-F272 HydrophobicContact CD2-CD1 3.92Å; Y179-F272 HydrophobicContact CD2-CD2 4.16Å; Y179-F272 HydrophobicContact CD2-CE1 4.41Å; Y179-F272 AromaticContact CD2-CG 3.76Å; Y179-F272 HydrophobicContact CD2-CG 3.76Å; Y179-F272 HydrophobicContact CG-CD1 4.43Å
180R97.7Very high95.7Very high121 Ų12183.4 Ų83.446%0.45741%0.414SS..  trans-148.2151.3172-57.2-174.9-177.8-1695.6109.7D182 I200 E201R180-D182 WeakPolarHBondContact CB-OD1 3.41Å; R180-I200 CarbonylContact O-C 3.52Å; R180-I200 WeakPolarHBondContact O-CA 3.2Å; R180-E201 HydrophobicContact CB-CB 4.2Å; R180-E201 WeakPolarHBondContact O-CB 3.33Å; R180-E201 PolarHBondContact O-N 3.37Å
181D96.7Very high95.9Very high111 Ų11179.8 Ų79.859%0.59440%0.395SS*.  trans-126.616.7179.755.41.7000113.2Y179 G199 I200Y179-D181 HydrophobicContact CE1-CB 4.15Å; D181-G199 CarbonylContact C-O 3.55Å; D181-G199 VanDerWaalsContact CA-O 3.29Å; D181-G199 WeakPolarHBondContact CA-O 3.43Å; D181-I200 HydrophobicContact CB-CG1 4.3Å
182D96.3Very high96.3Very high109 Ų10974.2 Ų74.258%0.58337%0.37SS*.  trans-102.426.6-177.970.3-20.9000112.8R180 G199R180-D182 WeakPolarHBondContact CB-OD1 3.41Å; D182-G199 PolarHBondContact N-O 3.17Å
183K96.5Very high96.6Very high57 Ų5763.7 Ų63.725%0.24833%0.33CS..PPolyproline II helixtrans-97.4152.7-173.9-55-53.3178.2-140.60113.1G199 E201K183-G199 WeakPolarHBondContact CA-O 3.38Å; K183-G199 VanDerWaalsContact CB-O 3.22Å; K183-G199 WeakPolarHBondContact CB-O 3.45Å; K183-G199 PolarHBondContact N-O 3.24Å; K183-G199 WeakPolarHBondContact O-CA 3.5Å; K183-E201 WeakPolarHBondContact CE-OE2 3.44Å; K183-E201 HydrophobicContact CG-CB 4.36Å
184N94.8Very high96.8Very high145 Ų14561.2 Ų61.278%0.77531%0.314SS*.PPolyproline II helixtrans-85.8149.2165.7-67.2-50.7000110T186N184-T186 PolarHBondContact O-N 3Å; N184-T186 VanDerWaalsContact O-N 3.11Å; N184-T186 PolarHBondContact O-OG1 3.17Å
185L95.6Very high97Very high43 Ų4357.5 Ų57.523%0.22530%0.299CS..PPolyproline II helixtrans-53.1119.7172.3178.164.8000110.4A189 A192 A196 Y237L185-A189 HydrophobicContact CD2-CB 3.86Å; L185-A192 HydrophobicContact CD1-CB 3.87Å; L185-A196 HydrophobicContact CD1-CB 4Å; L185-A196 WeakPolarHBondContact CD1-O 3.28Å; L185-Y237 HydrophobicContact CD2-CD1 4.4Å; L185-Y237 HydrophobicContact CD2-CD2 3.8Å; L185-Y237 HydrophobicContact CD2-CE2 4.01Å; L185-Y237 HydrophobicContact CD2-CG 3.96Å
186T94.2Very high97.1Very high37 Ų3753.8 Ų53.823%0.22727%0.274CS..  trans-116.1136.9175.9-60.20000108.9L164 N184 Q202L164-T186 HydrophobicContact CB-CG2 4.49Å; L164-T186 HydrophobicContact CD1-CG2 4.26Å; L164-T186 HydrophobicContact CD2-CG2 4.35Å; N184-T186 PolarHBondContact O-N 3Å; N184-T186 VanDerWaalsContact O-N 3.11Å; N184-T186 PolarHBondContact O-OG1 3.17Å; T186-Q202 PolarHBondContact O-NE2 3.06Å
187G93.7Very high97Very high22 Ų2252.8 Ų52.823%0.22727%0.27CS..SBendtrans94.8-174.8-176.900000113.7R139 D140 A189R139-G187 WeakPolarHBondContact O-CA 3.44Å; D140-G187 WeakPolarHBondContact OD1-CA 3.44Å; G187-A189 PolarHBondContact O-N 3.45Å
188T95.7Very high97Very high44 Ų4452.8 Ų52.827%0.2728%0.275SS..  trans-79.2107.7-176.8-59.90000110.6D140 K142 R190 Y191 A192D140-T188 WeakPolarHBondContact OD1-CB 3.15Å; D140-T188 PolarHBondContact OD1-N 3.14Å; D140-T188 PolarHBondContact OD1-OG1 3.36Å; K142-T188 HydrophobicContact CD-CG2 4.48Å; K142-T188 VanDerWaalsContact CD-OG1 3.25Å; K142-T188 WeakPolarHBondContact CD-OG1 3Å; T188-R190 HydrophobicContact CG2-CB 4.18Å; T188-R190 PolarHBondContact O-N 2.92Å; T188-Y191 HydrophobicContact CG2-CD2 3.91Å; T188-Y191 HydrophobicContact CG2-CE2 4.32Å; T188-Y191 PolarHBondContact O-N 2.66Å; T188-A192 PolarHBondContact O-N 2.99Å
189A97.3Very high97Very high10 Ų1049.3 Ų49.38%0.08325%0.254CS..THydrogen-bonded Turntrans-45.8-33.9-17600000115.1L185 G187 Y191 H197 Y237 I240 K244L185-A189 HydrophobicContact CD2-CB 3.86Å; G187-A189 PolarHBondContact O-N 3.45Å; A189-Y191 VanDerWaalsContact C-N 3.34Å; A189-Y191 PolarHBondContact O-N 3.03Å; A189-H197 PolarHBondContact O-NE2 3.37Å; A189-Y237 HydrophobicContact CB-CD1 3.95Å; A189-Y237 HydrophobicContact CB-CE1 3.79Å; A189-I240 HydrophobicContact CB-CD1 4.16Å; A189-K244 PolarHBondContact O-NZ 2.73Å
190R98Very high97Very high83 Ų8344.9 Ų44.931%0.31324%0.238SC..THydrogen-bonded Turntrans-57.6-44.8177.2-170.5-167.8-64.91700.9111.8T188 Y217 L223 W225 Q226 K244T188-R190 HydrophobicContact CG2-CB 4.18Å; T188-R190 PolarHBondContact O-N 2.92Å; R190-Y217 PolarHBondContact NH1-OH 2.81Å; R190-L223 HydrophobicContact CG-CD1 4.16Å; R190-W225 PolarHBondContact O-NE1 3.26Å; R190-Q226 HydrophobicContact CG-CG 4Å; R190-K244 PolarHBondContact O-NZ 2.77Å
191Y98.6Very high97Very high1 Ų139.7 Ų39.70%0.00422%0.219CC..THydrogen-bonded Turntrans-106.4-15.7-174.5-52.5-71.9000113.3I141 K142 P143 T188 A189 S210 Y213 V214 Y217 L223I141-Y191 WeakPolarHBondContact O-CB 3.37Å; K142-Y191 HydrophobicContact CB-CD2 3.42Å; K142-Y191 VanDerWaalsContact CB-CD2 3.42Å; K142-Y191 HydrophobicContact CB-CE2 3.62Å; K142-Y191 HydrophobicContact CB-CG 4.33Å; P143-Y191 HydrophobicContact CG-CE1 4.44Å; T188-Y191 HydrophobicContact CG2-CD2 3.91Å; T188-Y191 HydrophobicContact CG2-CE2 4.32Å; T188-Y191 PolarHBondContact O-N 2.66Å; A189-Y191 VanDerWaalsContact C-N 3.34Å; A189-Y191 PolarHBondContact O-N 3.03Å; Y191-S210 VanDerWaalsContact O-CA 3.29Å; Y191-S210 WeakPolarHBondContact O-CA 3.45Å; Y191-S210 WeakPolarHBondContact O-CB 3.39Å; Y191-S210 PolarHBondContact O-OG 2.66Å; Y191-Y213 WeakPolarHBondContact O-CD2 3.34Å; Y191-V214 HydrophobicContact CD1-CG2 3.57Å; Y191-V214 HydrophobicContact CE1-CG2 3.97Å; Y191-V214 HydrophobicContact CG-CG2 4.02Å; Y191-Y217 AromaticContact CE1-CD1 3.98Å; Y191-Y217 HydrophobicContact CE1-CD1 3.98Å; Y191-Y217 HydrophobicContact CE1-CD2 4.38Å; Y191-Y217 AromaticContact CE1-CG 3.87Å; Y191-Y217 HydrophobicContact CE1-CG 3.87Å; Y191-Y217 WeakPolarHBondContact OH-CD1 3.15Å; Y191-Y217 WeakPolarHBondContact OH-CE1 3.31Å; Y191-Y217 VanDerWaalsContact OH-CZ 3.27Å; Y191-L223 HydrophobicContact CD1-CD1 4.15Å; Y191-L223 HydrophobicContact CE1-CD1 4.14Å
192A98.3Very high97.1Very high7 Ų734.9 Ų34.96%0.05819%0.193CC..SBendtrans-54.7143.9178.700000112.9L185 T188 A196 K244L185-A192 HydrophobicContact CD1-CB 3.87Å; T188-A192 PolarHBondContact O-N 2.99Å; A192-A196 HydrophobicContact CB-CB 4.13Å; A192-K244 PolarHBondContact O-NZ 3.03Å
193S98.6Very high97.2Very high0 Ų029.7 Ų29.70%017%0.165CC..  trans-59.5161.8177.665.80000113.2N195 A196 H197 D206 E209S193-N195 PolarHBondContact O-N 2.94Å; S193-A196 PolarHBondContact O-N 3.36Å; S193-A196 WeakPolarHBondContact OG-CB 3.45Å; S193-A196 PolarHBondContact OG-N 3.46Å; S193-H197 PolarHBondContact O-CD2 3.11Å; S193-H197 PolarHBondContact O-N 3.38Å; S193-D206 VanDerWaalsContact CB-OD1 3.29Å; S193-D206 WeakPolarHBondContact CB-OD1 3.32Å; S193-D206 WeakPolarHBondContact OG-CB 3.39Å; S193-D206 PolarHBondContact OG-OD1 3.35Å; S193-E209 VanDerWaalsContact CB-OE2 3.28Å; S193-E209 WeakPolarHBondContact CB-OE2 3.5Å
194I98.4Very high97.3Very high24 Ų2427.8 Ų27.812%0.12316%0.157CC..Hα-helixtrans-58.2-41.3171.5-73.1171.4000110.3A196 H197 A198 E209 Y241 K244 L245I194-A196 VanDerWaalsContact C-N 3.35Å; I194-A196 PolarHBondContact O-N 3.06Å; I194-H197 WeakPolarHBondContact O-CB 3.46Å; I194-H197 PolarHBondContact O-N 2.62Å; I194-H197 VanDerWaalsContact O-N 3.17Å; I194-A198 PolarHBondContact O-N 3.28Å; I194-E209 WeakPolarHBondContact CG1-OE1 3.29Å; I194-E209 PolarHBondContact N-OE1 3.15Å; I194-Y241 HydrophobicContact CG2-CE2 3.77Å; I194-K244 HydrophobicContact CD1-CB 4.44Å; I194-K244 HydrophobicContact CG1-CB 4.03Å; I194-L245 HydrophobicContact CD1-CD2 4.37Å; I194-L245 HydrophobicContact CG2-CD2 3.68Å; I194-L245 HydrophobicContact CG2-CG 4.5Å
195N98.3Very high97.5Very high33 Ų3322.2 Ų22.218%0.17613%0.125CC..Hα-helixtrans-60.7-41.7177.6-61-43000112.4S193 H197 A198 G199 I200 R205 D206S193-N195 PolarHBondContact O-N 2.94Å; N195-H197 VanDerWaalsContact C-N 3.27Å; N195-H197 PolarHBondContact O-N 3.42Å; N195-A198 CarbonylContact O-C 3.39Å; N195-A198 PolarHBondContact O-N 3.43Å; N195-A198 VanDerWaalsContact O-N 3.09Å; N195-G199 PolarHBondContact O-N 2.94Å; N195-I200 HydrophobicContact CB-CB 3.99Å; N195-I200 HydrophobicContact CB-CD1 4.27Å; N195-I200 HydrophobicContact CB-CG2 4.33Å; N195-I200 WeakPolarHBondContact O-CB 3.48Å; N195-I200 PolarHBondContact O-N 3.09Å; N195-R205 PolarHBondContact ND2-NE 3.27Å; N195-D206 VanDerWaalsContact CB-OD1 3.26Å; N195-D206 WeakPolarHBondContact CB-OD1 3.22Å; N195-D206 PolarHBondContact ND2-OD1 2.7Å; N195-D206 VanDerWaalsContact ND2-OD1 3.11Å
196A98Very high97.6Very high2 Ų220.2 Ų20.22%0.01711%0.114CC..Hα-helixtrans-63.2-34.3177.900000112.2L185 A192 S193 I194 Q202L185-A196 HydrophobicContact CD1-CB 4Å; L185-A196 WeakPolarHBondContact CD1-O 3.28Å; A192-A196 HydrophobicContact CB-CB 4.13Å; S193-A196 PolarHBondContact O-N 3.36Å; S193-A196 WeakPolarHBondContact OG-CB 3.45Å; S193-A196 PolarHBondContact OG-N 3.46Å; I194-A196 VanDerWaalsContact C-N 3.35Å; I194-A196 PolarHBondContact O-N 3.06Å; A196-Q202 HydrophobicContact CB-CG 3.98Å
197H97.8Very high97.9Very high25 Ų2518.5 Ų18.512%0.11610%0.104CC..Hα-helixtrans-71.4-36.7171.6-82.4-81.4000112.5A189 S193 I194 N195 G199 Y241A189-H197 PolarHBondContact O-NE2 3.37Å; S193-H197 PolarHBondContact O-CD2 3.11Å; S193-H197 PolarHBondContact O-N 3.38Å; I194-H197 WeakPolarHBondContact O-CB 3.46Å; I194-H197 PolarHBondContact O-N 2.62Å; I194-H197 VanDerWaalsContact O-N 3.17Å; N195-H197 VanDerWaalsContact C-N 3.27Å; N195-H197 PolarHBondContact O-N 3.42Å; H197-G199 PolarHBondContact O-N 3.47Å; H197-Y241 HydrophobicContact CB-CD2 3.28Å; H197-Y241 HydrophobicContact CB-CE2 3.95Å; H197-Y241 HydrophobicContact CB-CG 3.7Å
198A97.3Very high98.1Very high36 Ų3617.4 Ų17.430%0.2989%0.093SC..THydrogen-bonded Turntrans-721177.400000114.1I194 N195 I200 Y241I194-A198 PolarHBondContact O-N 3.28Å; N195-A198 CarbonylContact O-C 3.39Å; N195-A198 PolarHBondContact O-N 3.43Å; N195-A198 VanDerWaalsContact O-N 3.09Å; A198-I200 VanDerWaalsContact C-N 3.28Å; A198-I200 HydrophobicContact CB-CD1 4.05Å; A198-I200 HydrophobicContact CB-CG1 4.14Å; A198-I200 PolarHBondContact O-N 3.37Å; A198-Y241 HydrophobicContact CB-CE2 4.16Å; A198-Y241 WeakPolarHBondContact CB-OH 3.45Å
199G97.4Very high98.3Very high8 Ų815.5 Ų15.58%0.0828%0.081CC..THydrogen-bonded Turntrans75.814.9-177.800000114.2D181 D182 K183 N195 H197D181-G199 CarbonylContact C-O 3.55Å; D181-G199 VanDerWaalsContact CA-O 3.29Å; D181-G199 WeakPolarHBondContact CA-O 3.43Å; D182-G199 PolarHBondContact N-O 3.17Å; K183-G199 WeakPolarHBondContact CA-O 3.38Å; K183-G199 VanDerWaalsContact CB-O 3.22Å; K183-G199 WeakPolarHBondContact CB-O 3.45Å; K183-G199 PolarHBondContact N-O 3.24Å; K183-G199 WeakPolarHBondContact O-CA 3.5Å; N195-G199 PolarHBondContact O-N 2.94Å; H197-G199 PolarHBondContact O-N 3.47Å
200I98.2Very high98.3Very high24 Ų2415.2 Ų15.212%0.1238%0.078CC..PPolyproline II helixtrans-80.1140177.9-59.5170.2000109.7Y179 R180 D181 N195 A198 Q202Y179-I200 HydrophobicContact CD2-CG2 4.39Å; Y179-I200 HydrophobicContact CE2-CG2 3.55Å; Y179-I200 WeakPolarHBondContact OH-CD1 3.4Å; R180-I200 CarbonylContact O-C 3.52Å; R180-I200 WeakPolarHBondContact O-CA 3.2Å; D181-I200 HydrophobicContact CB-CG1 4.3Å; N195-I200 HydrophobicContact CB-CB 3.99Å; N195-I200 HydrophobicContact CB-CD1 4.27Å; N195-I200 HydrophobicContact CB-CG2 4.33Å; N195-I200 WeakPolarHBondContact O-CB 3.48Å; N195-I200 PolarHBondContact O-N 3.09Å; A198-I200 VanDerWaalsContact C-N 3.28Å; A198-I200 HydrophobicContact CB-CD1 4.05Å; A198-I200 HydrophobicContact CB-CG1 4.14Å; A198-I200 PolarHBondContact O-N 3.37Å; I200-Q202 PolarHBondContact O-N 3.17Å
201E98.2Very high98.4Very high13 Ų1311.3 Ų11.36%0.0616%0.063CC..PPolyproline II helixtrans-53.6128.5173-173.468.9-90.400109.8K166 I177 R180 K183 F272K166-E201 IonicContact NZ-OE1 2.71Å; K166-E201 PolarHBondContact NZ-OE1 3.21Å; K166-E201 IonicContact NZ-OE2 2.71Å; K166-E201 PolarHBondContact NZ-OE2 3.1Å; I177-E201 HydrophobicContact CD1-CG 3.83Å; R180-E201 HydrophobicContact CB-CB 4.2Å; R180-E201 WeakPolarHBondContact O-CB 3.33Å; R180-E201 PolarHBondContact O-N 3.37Å; K183-E201 WeakPolarHBondContact CE-OE2 3.44Å; K183-E201 HydrophobicContact CG-CB 4.36Å; E201-F272 HydrophobicContact CB-CE2 4.04Å; E201-F272 HydrophobicContact CB-CZ 4.13Å; E201-F272 HydrophobicContact CG-CE2 4.16Å; E201-F272 HydrophobicContact CG-CZ 3.99Å; E201-F272 WeakPolarHBondContact O-CE2 3.47Å
202Q98.6Very high98.4Very high9 Ų911.3 Ų11.34%0.0426%0.064CC..PPolyproline II helixtrans-78.6143.6-178.4-68.1-179.746.100110.6I137 R139 T186 A196 I200 D206I137-Q202 VanDerWaalsContact CD1-C 3.48Å; I137-Q202 HydrophobicContact CD1-CB 3.98Å; I137-Q202 WeakPolarHBondContact CD1-O 3.31Å; R139-Q202 HydrophobicContact CG-CB 4.17Å; T186-Q202 PolarHBondContact O-NE2 3.06Å; A196-Q202 HydrophobicContact CB-CG 3.98Å; I200-Q202 PolarHBondContact O-N 3.17Å; Q202-D206 VanDerWaalsContact CA-OD2 3.31Å; Q202-D206 WeakPolarHBondContact CA-OD2 3.47Å; Q202-D206 HydrophobicContact CB-CB 4.23Å; Q202-D206 HydrophobicContact CG-CB 4.23Å
203S98.4Very high98.4Very high1 Ų111 Ų111%0.0076%0.061CC..  trans-139.1-172.5173.6-176.10000109.6H176 R205 D206 F272H176-S203 PolarHBondContact CE1-OG 2.71Å; H176-S203 PolarHBondContact NE2-OG 2.88Å; S203-R205 PolarHBondContact O-N 2.91Å; S203-R205 VanDerWaalsContact O-N 3.16Å; S203-D206 PolarHBondContact N-OD2 3.49Å; S203-D206 WeakPolarHBondContact O-CB 3.17Å; S203-D206 PolarHBondContact O-N 2.91Å; S203-F272 WeakPolarHBondContact CB-O 3.39Å; S203-F272 PolarHBondContact OG-O 2.78Å
204R98.6Very high98.4Very high17 Ų1711 Ų116%0.0646%0.061CC..Hα-helixtrans-52.4-38.9-177.1-65.9175.2-77.4-168.7-4.1112.5H132 I137 F168 D206 D207 I208 D273 S274 L275 P276H132-R204 HydrophobicContact CB-CG 4.14Å; H132-R204 VanDerWaalsContact CE1-CA 3.48Å; H132-R204 WeakPolarHBondContact CE1-CA 3.47Å; H132-R204 PolarHBondContact CE1-O 2.83Å; I137-R204 HydrophobicContact CG2-CG 4.03Å; F168-R204 HydrophobicContact CD1-CG 4.17Å; F168-R204 HydrophobicContact CD2-CG 4.27Å; F168-R204 HydrophobicContact CE1-CG 3.92Å; F168-R204 HydrophobicContact CE2-CG 4.07Å; F168-R204 VanDerWaalsContact CE2-CZ 3.49Å; F168-R204 HydrophobicContact CG-CG 4.33Å; F168-R204 VanDerWaalsContact CZ-CD 3.44Å; F168-R204 HydrophobicContact CZ-CG 3.88Å; R204-D206 PolarHBondContact O-N 2.84Å; R204-D207 PolarHBondContact O-N 2.97Å; R204-I208 WeakPolarHBondContact O-CG1 3.4Å; R204-I208 PolarHBondContact O-N 2.83Å; R204-D273 PolarHBondContact NH2-O 3.49Å; R204-S274 PolarHBondContact NE-O 3.36Å; R204-S274 VanDerWaalsContact NH2-C 3.34Å; R204-S274 PolarHBondContact NH2-O 3.26Å; R204-L275 VanDerWaalsContact NH1-CD1 3.31Å; R204-P276 HydrophobicContact CB-CG 3.93Å
205R98.4Very high98.5Very high28 Ų289.9 Ų9.911%0.1066%0.056CC..Hα-helixtrans-55.5-32.1178.665.8-179.5-178.71761.7113.4N195 S203 I208 E209 L270N195-R205 PolarHBondContact ND2-NE 3.27Å; S203-R205 PolarHBondContact O-N 2.91Å; S203-R205 VanDerWaalsContact O-N 3.16Å; R205-I208 PolarHBondContact O-N 3.46Å; R205-E209 PolarHBondContact O-N 3.23Å; R205-L270 HydrophobicContact CB-CB 3.58Å; R205-L270 HydrophobicContact CB-CD1 4Å; R205-L270 HydrophobicContact CB-CG 4.46Å; R205-L270 WeakPolarHBondContact CD-O 3.44Å; R205-L270 PolarHBondContact NH1-O 2.9Å
206D98.8Very high98.5Very high0 Ų08.4 Ų8.40%05%0.047CC..Hα-helixtrans-76.2-36.5-175-59.3-70000111.7S193 N195 Q202 S203 R204 I208 S210S193-D206 VanDerWaalsContact CB-OD1 3.29Å; S193-D206 WeakPolarHBondContact CB-OD1 3.32Å; S193-D206 WeakPolarHBondContact OG-CB 3.39Å; S193-D206 PolarHBondContact OG-OD1 3.35Å; N195-D206 VanDerWaalsContact CB-OD1 3.26Å; N195-D206 WeakPolarHBondContact CB-OD1 3.22Å; N195-D206 PolarHBondContact ND2-OD1 2.7Å; N195-D206 VanDerWaalsContact ND2-OD1 3.11Å; Q202-D206 VanDerWaalsContact CA-OD2 3.31Å; Q202-D206 WeakPolarHBondContact CA-OD2 3.47Å; Q202-D206 HydrophobicContact CB-CB 4.23Å; Q202-D206 HydrophobicContact CG-CB 4.23Å; S203-D206 PolarHBondContact N-OD2 3.49Å; S203-D206 WeakPolarHBondContact O-CB 3.17Å; S203-D206 PolarHBondContact O-N 2.91Å; R204-D206 PolarHBondContact O-N 2.84Å; D206-I208 VanDerWaalsContact C-N 3.33Å; D206-S210 VanDerWaalsContact O-CB 3.31Å; D206-S210 WeakPolarHBondContact O-CB 3.27Å; D206-S210 PolarHBondContact O-N 2.92Å; D206-S210 PolarHBondContact O-OG 2.89Å
207D98.8Very high98.5Very high1 Ų18.3 Ų8.31%0.0055%0.047CC..Hα-helixtrans-66.2-36.9171.5-74.3-21.8000110.8I128 H132 I137 H138 R139 I141 R204 S210 L211I128-D207 HydrophobicContact CG2-CB 4.11Å; H132-D207 IonicContact CD2-OD2 2.66Å; H132-D207 IonicContact CE1-OD2 2.64Å; H132-D207 IonicContact NE2-OD2 3.81Å; H132-D207 PolarHBondContact NE2-OD2 3.27Å; I137-D207 WeakPolarHBondContact CA-OD2 3.48Å; I137-D207 WeakPolarHBondContact CB-OD2 3.16Å; H138-D207 PolarHBondContact N-OD2 2.65Å; R139-D207 PolarHBondContact N-OD1 3.48Å; I141-D207 HydrophobicContact CD1-CB 4.39Å; I141-D207 HydrophobicContact CG1-CB 4Å; I141-D207 WeakPolarHBondContact CG1-OD1 3.34Å; R204-D207 PolarHBondContact O-N 2.97Å; D207-S210 PolarHBondContact O-N 3.18Å; D207-L211 PolarHBondContact O-N 3.11Å
208I98.8Very high98.6Very high0 Ų07.1 Ų7.10%04%0.041CC..Hα-helixtrans-65.9-48.1175.4-58.7-55.3000111.3L125 I128 R204 R205 D206 S210 L211 G212 Y263 A267 L270 P276 Y278 L281L125-I208 HydrophobicContact CD2-CD1 4.38Å; I128-I208 HydrophobicContact CG2-CD1 4.09Å; R204-I208 WeakPolarHBondContact O-CG1 3.4Å; R204-I208 PolarHBondContact O-N 2.83Å; R205-I208 PolarHBondContact O-N 3.46Å; D206-I208 VanDerWaalsContact C-N 3.33Å; I208-S210 VanDerWaalsContact C-N 3.27Å; I208-S210 PolarHBondContact O-N 3.35Å; I208-L211 PolarHBondContact O-N 2.97Å; I208-G212 PolarHBondContact O-N 2.89Å; I208-Y263 HydrophobicContact CG2-CE1 4.22Å; I208-Y263 WeakPolarHBondContact CG2-OH 3.46Å; I208-Y263 VanDerWaalsContact O-CE1 3.32Å; I208-Y263 WeakPolarHBondContact O-CE1 3.28Å; I208-Y263 PolarHBondContact O-OH 2.71Å; I208-A267 HydrophobicContact CB-CB 4.47Å; I208-A267 HydrophobicContact CG2-CB 3.7Å; I208-L270 HydrophobicContact CB-CD1 4.33Å; I208-L270 HydrophobicContact CG1-CD1 4.37Å; I208-L270 HydrophobicContact CG2-CD1 4.29Å; I208-P276 HydrophobicContact CD1-CB 4.41Å; I208-P276 HydrophobicContact CG1-CB 4.04Å; I208-P276 HydrophobicContact CG1-CG 3.9Å; I208-Y278 HydrophobicContact CD1-CD1 4.33Å; I208-Y278 HydrophobicContact CD1-CE1 3.83Å; I208-L281 HydrophobicContact CD1-CD1 4.22Å; I208-L281 HydrophobicContact CG2-CD1 3.75Å
209E98.8Very high98.6Very high4 Ų45.9 Ų5.92%0.0193%0.03CC..Hα-helixtrans-60.5-41.1176.6-168.4-173.5151.500111.2S193 I194 R205 L211 G212 Y213 A267 R268S193-E209 VanDerWaalsContact CB-OE2 3.28Å; S193-E209 WeakPolarHBondContact CB-OE2 3.5Å; I194-E209 WeakPolarHBondContact CG1-OE1 3.29Å; I194-E209 PolarHBondContact N-OE1 3.15Å; R205-E209 PolarHBondContact O-N 3.23Å; E209-L211 PolarHBondContact O-N 3.47Å; E209-G212 PolarHBondContact O-N 3.42Å; E209-G212 VanDerWaalsContact O-N 3.14Å; E209-Y213 HydrophobicContact CG-CE2 3.8Å; E209-Y213 PolarHBondContact O-N 3.03Å; E209-Y213 VanDerWaalsContact O-N 3.13Å; E209-Y213 WeakPolarHBondContact OE1-CE2 3.47Å; E209-Y213 VanDerWaalsContact OE1-CZ 3.24Å; E209-Y213 PolarHBondContact OE1-OH 3.47Å; E209-A267 HydrophobicContact CB-CB 4.22Å; E209-R268 HydrophobicContact CG-CG 4.34Å
210S98.9Very high98.7Very high4 Ų47.5 Ų7.53%0.0283%0.033CC..Hα-helixtrans-63.8-39.2178.9-55.40000112.5Y191 D206 D207 I208 G212 Y213 V214Y191-S210 VanDerWaalsContact O-CA 3.29Å; Y191-S210 WeakPolarHBondContact O-CA 3.45Å; Y191-S210 WeakPolarHBondContact O-CB 3.39Å; Y191-S210 PolarHBondContact O-OG 2.66Å; D206-S210 VanDerWaalsContact O-CB 3.31Å; D206-S210 WeakPolarHBondContact O-CB 3.27Å; D206-S210 PolarHBondContact O-N 2.92Å; D206-S210 PolarHBondContact O-OG 2.89Å; D207-S210 PolarHBondContact O-N 3.18Å; I208-S210 VanDerWaalsContact C-N 3.27Å; I208-S210 PolarHBondContact O-N 3.35Å; S210-G212 VanDerWaalsContact C-N 3.32Å; S210-G212 PolarHBondContact O-N 2.95Å; S210-Y213 PolarHBondContact O-N 3.21Å; S210-V214 WeakPolarHBondContact O-CG2 3.38Å; S210-V214 PolarHBondContact O-N 3.01Å
211L98.9Very high98.7Very high0 Ų06.8 Ų6.80%03%0.031CC..Hα-helixtrans-59.4-42.4171.9-84.8-178.7000111.7M124 L125 I128 I141 F146 D207 I208 E209 Y213 V214 F215 Y263M124-L211 HydrophobicContact CB-CD2 3.96Å; M124-L211 HydrophobicContact CE-CD2 3.52Å; L125-L211 HydrophobicContact CD2-CD1 3.86Å; L125-L211 HydrophobicContact CG-CD1 4.31Å; I128-L211 HydrophobicContact CB-CD1 4.17Å; I128-L211 HydrophobicContact CG1-CD1 3.69Å; I128-L211 HydrophobicContact CG1-CG 4.24Å; I141-L211 HydrophobicContact CG2-CD2 3.73Å; I141-L211 HydrophobicContact CG2-CG 3.97Å; F146-L211 HydrophobicContact CE2-CD2 4.43Å; F146-L211 HydrophobicContact CZ-CD2 4.14Å; D207-L211 PolarHBondContact O-N 3.11Å; I208-L211 PolarHBondContact O-N 2.97Å; E209-L211 PolarHBondContact O-N 3.47Å; L211-Y213 VanDerWaalsContact C-N 3.3Å; L211-Y213 PolarHBondContact O-N 2.92Å; L211-V214 WeakPolarHBondContact O-CA 3.24Å; L211-V214 WeakPolarHBondContact O-CB 3.21Å; L211-V214 PolarHBondContact O-N 2.87Å; L211-F215 HydrophobicContact CB-CE2 3.95Å; L211-F215 HydrophobicContact CB-CZ 3.84Å; L211-F215 HydrophobicContact CD1-CZ 4.29Å; L211-F215 HydrophobicContact CD2-CE1 4.15Å; L211-F215 HydrophobicContact CD2-CZ 4Å; L211-F215 HydrophobicContact CG-CZ 4.28Å; L211-F215 WeakPolarHBondContact O-CD1 3.47Å; L211-F215 VanDerWaalsContact O-CD2 3.28Å; L211-F215 WeakPolarHBondContact O-CD2 3.47Å; L211-F215 WeakPolarHBondContact O-CG 3.46Å; L211-F215 PolarHBondContact O-N 3.32Å; L211-Y263 VanDerWaalsContact CB-OH 3.3Å; L211-Y263 WeakPolarHBondContact CB-OH 3.28Å
212G98.9Very high98.7Very high2 Ų210.8 Ų10.82%0.0215%0.05CC..Hα-helixtrans-58.2-41.8175.600000112.6I208 E209 S210 F215 M216I208-G212 PolarHBondContact O-N 2.89Å; E209-G212 PolarHBondContact O-N 3.42Å; E209-G212 VanDerWaalsContact O-N 3.14Å; S210-G212 VanDerWaalsContact C-N 3.32Å; S210-G212 PolarHBondContact O-N 2.95Å; G212-F215 PolarHBondContact O-N 2.85Å; G212-M216 WeakPolarHBondContact O-CG 3.35Å; G212-M216 PolarHBondContact O-N 3.15Å
213Y98.9Very high98.7Very high0 Ų010.4 Ų10.40%05%0.048CC..Hα-helixtrans-65.7-36.4173.1-63.3-36.1000113Y191 E209 S210 L211 Y217 W225 K244 L252 L264 R268Y191-Y213 WeakPolarHBondContact O-CD2 3.34Å; E209-Y213 HydrophobicContact CG-CE2 3.8Å; E209-Y213 PolarHBondContact O-N 3.03Å; E209-Y213 VanDerWaalsContact O-N 3.13Å; E209-Y213 WeakPolarHBondContact OE1-CE2 3.47Å; E209-Y213 VanDerWaalsContact OE1-CZ 3.24Å; E209-Y213 PolarHBondContact OE1-OH 3.47Å; S210-Y213 PolarHBondContact O-N 3.21Å; L211-Y213 VanDerWaalsContact C-N 3.3Å; L211-Y213 PolarHBondContact O-N 2.92Å; Y213-Y217 WeakPolarHBondContact O-CB 3.39Å; Y213-Y217 PolarHBondContact O-N 3.41Å; Y213-W225 AromaticContact CD1-CH2 3.55Å; Y213-W225 HydrophobicContact CD1-CH2 3.55Å; Y213-W225 AromaticContact CD1-CZ2 3.56Å; Y213-W225 HydrophobicContact CD1-CZ2 3.56Å; Y213-W225 HydrophobicContact CD2-CZ2 4.35Å; Y213-W225 AromaticContact CE1-CH2 3.46Å; Y213-W225 HydrophobicContact CE1-CH2 3.46Å; Y213-W225 VanDerWaalsContact CE1-CH2 3.46Å; Y213-W225 AromaticContact CE1-CZ2 3.82Å; Y213-W225 HydrophobicContact CE1-CZ2 3.82Å; Y213-W225 HydrophobicContact CG-CH2 4.31Å; Y213-W225 AromaticContact CG-CZ2 3.85Å; Y213-W225 HydrophobicContact CG-CZ2 3.85Å; Y213-K244 HydrophobicContact CE2-CD 4.48Å; Y213-L252 HydrophobicContact CD1-CD2 4.02Å; Y213-L252 HydrophobicContact CE1-CD2 4.14Å; Y213-L264 HydrophobicContact CD1-CD2 4.24Å; Y213-L264 HydrophobicContact CE1-CD2 4.19Å; Y213-R268 PolarHBondContact OH-NH2 2.81Å
214V98.9Very high98.7Very high0 Ų012 Ų120%06%0.059CC..Hα-helixtrans-64.8-44.2174.2169.20000111.4M124 I141 P143 Y191 S210 L211 M216 Y217 F218M124-V214 HydrophobicContact CE-CG1 3.8Å; I141-V214 HydrophobicContact CG2-CG2 4.12Å; P143-V214 HydrophobicContact CG-CG1 4.1Å; Y191-V214 HydrophobicContact CD1-CG2 3.57Å; Y191-V214 HydrophobicContact CE1-CG2 3.97Å; Y191-V214 HydrophobicContact CG-CG2 4.02Å; S210-V214 WeakPolarHBondContact O-CG2 3.38Å; S210-V214 PolarHBondContact O-N 3.01Å; L211-V214 WeakPolarHBondContact O-CA 3.24Å; L211-V214 WeakPolarHBondContact O-CB 3.21Å; L211-V214 PolarHBondContact O-N 2.87Å; V214-M216 PolarHBondContact O-N 3.29Å; V214-Y217 WeakPolarHBondContact O-CB 3.38Å; V214-Y217 PolarHBondContact O-N 3.21Å; V214-F218 HydrophobicContact CG1-CD2 3.86Å; V214-F218 HydrophobicContact CG1-CE2 3.3Å; V214-F218 HydrophobicContact CG1-CZ 3.68Å; V214-F218 WeakPolarHBondContact O-CD2 3.17Å; V214-F218 WeakPolarHBondContact O-CG 3.49Å; V214-F218 PolarHBondContact O-N 2.93Å
215F98.9Very high98.6Very high1 Ų111.3 Ų11.30%0.0046%0.056CC..Hα-helixtrans-61.8-45.9177.5-54.7-30.6000111.6V117 A121 M124 L211 G212 Y217 F218 L219 F260 Y263 F285V117-F215 HydrophobicContact CG1-CB 4.11Å; A121-F215 HydrophobicContact CB-CD1 4.08Å; A121-F215 HydrophobicContact CB-CD2 4.41Å; A121-F215 HydrophobicContact CB-CE1 3.67Å; A121-F215 HydrophobicContact CB-CE2 4.03Å; A121-F215 HydrophobicContact CB-CG 4.45Å; A121-F215 HydrophobicContact CB-CZ 3.63Å; M124-F215 HydrophobicContact CB-CE1 4.42Å; M124-F215 HydrophobicContact CE-CE1 4.23Å; M124-F215 HydrophobicContact SD-CE1 3.95Å; L211-F215 HydrophobicContact CB-CE2 3.95Å; L211-F215 HydrophobicContact CB-CZ 3.84Å; L211-F215 HydrophobicContact CD1-CZ 4.29Å; L211-F215 HydrophobicContact CD2-CE1 4.15Å; L211-F215 HydrophobicContact CD2-CZ 4Å; L211-F215 HydrophobicContact CG-CZ 4.28Å; L211-F215 WeakPolarHBondContact O-CD1 3.47Å; L211-F215 VanDerWaalsContact O-CD2 3.28Å; L211-F215 WeakPolarHBondContact O-CD2 3.47Å; L211-F215 WeakPolarHBondContact O-CG 3.46Å; L211-F215 PolarHBondContact O-N 3.32Å; G212-F215 PolarHBondContact O-N 2.85Å; F215-Y217 VanDerWaalsContact C-N 3.31Å; F215-Y217 PolarHBondContact O-N 2.88Å; F215-F218 PolarHBondContact O-N 3.21Å; F215-L219 WeakPolarHBondContact O-CG 3.42Å; F215-L219 PolarHBondContact O-N 3.01Å; F215-L219 VanDerWaalsContact O-N 3.09Å; F215-F260 HydrophobicContact CB-CD1 4.19Å; F215-F260 HydrophobicContact CB-CE1 4.08Å; F215-Y263 HydrophobicContact CD2-CE1 4.47Å; F215-Y263 HydrophobicContact CE2-CE1 4.32Å; F215-Y263 AromaticContact CE2-CE2 3.9Å; F215-Y263 HydrophobicContact CE2-CE2 3.9Å; F215-Y263 AromaticContact CE2-CZ 3.79Å; F215-F285 AromaticContact CD2-CE2 3.87Å; F215-F285 HydrophobicContact CD2-CE2 3.87Å; F215-F285 HydrophobicContact CD2-CZ 4.02Å; F215-F285 AromaticContact CE2-CE2 3.75Å; F215-F285 HydrophobicContact CE2-CE2 3.75Å; F215-F285 HydrophobicContact CE2-CZ 4.33Å
216M98.8Very high98.6Very high1 Ų112.3 Ų12.31%0.0056%0.062CC..Hα-helixtrans-67.8-32.1176.4-69.5-50-54.800112.8G212 V214 L219 R220 L223 L252 C253 Y256 F260 L264G212-M216 WeakPolarHBondContact O-CG 3.35Å; G212-M216 PolarHBondContact O-N 3.15Å; V214-M216 PolarHBondContact O-N 3.29Å; M216-L219 HydrophobicContact CE-CD1 4.47Å; M216-L219 HydrophobicContact SD-CD1 4Å; M216-R220 HydrophobicContact CE-CG 3.9Å; M216-R220 WeakPolarHBondContact O-CB 3.08Å; M216-R220 WeakPolarHBondContact O-CD 3.4Å; M216-R220 WeakPolarHBondContact O-CG 3.41Å; M216-R220 PolarHBondContact O-N 3.26Å; M216-L223 HydrophobicContact CB-CD2 4.2Å; M216-L252 HydrophobicContact CB-CD2 4.25Å; M216-L252 HydrophobicContact CB-CG 4.23Å; M216-L252 WeakPolarHBondContact CE-O 3.38Å; M216-L252 HydrophobicContact CG-CD2 4.15Å; M216-L252 HydrophobicContact CG-CG 4.14Å; M216-C253 HydrophobicContact CE-CB 4.4Å; M216-Y256 HydrophobicContact CE-CD2 3.7Å; M216-Y256 HydrophobicContact CE-CE2 4.25Å; M216-Y256 HydrophobicContact CE-CG 4.04Å; M216-F260 HydrophobicContact SD-CB 3.64Å; M216-F260 HydrophobicContact SD-CD1 4.18Å; M216-F260 HydrophobicContact SD-CG 3.98Å; M216-L264 HydrophobicContact CG-CD1 4.21Å
217Y98.9Very high98.4Very high0 Ų016 Ų160%010%0.099CC..Hα-helixtrans-61.3-46.5172.1171.3-107.5000111.3E102 F105 R110 P143 R190 Y191 Y213 V214 F215 L219 R220 G221 L223E102-Y217 VanDerWaalsContact CD-OH 3.31Å; E102-Y217 PolarHBondContact OE1-OH 2.86Å; E102-Y217 VanDerWaalsContact OE2-CE1 3.23Å; E102-Y217 WeakPolarHBondContact OE2-CE1 3.34Å; E102-Y217 PolarHBondContact OE2-OH 3.25Å; F105-Y217 AromaticContact CD1-CE1 3.6Å; F105-Y217 HydrophobicContact CD1-CE1 3.6Å; F105-Y217 AromaticContact CD1-CZ 3.82Å; F105-Y217 HydrophobicContact CE1-CD1 4.04Å; F105-Y217 AromaticContact CE1-CE1 3.33Å; F105-Y217 HydrophobicContact CE1-CE1 3.33Å; F105-Y217 AromaticContact CE1-CE2 3.96Å; F105-Y217 HydrophobicContact CE1-CE2 3.96Å; F105-Y217 AromaticContact CE1-CZ 3.31Å; F105-Y217 WeakPolarHBondContact CE1-OH 3.38Å; F105-Y217 HydrophobicContact CG-CE1 4.45Å; F105-Y217 HydrophobicContact CZ-CD1 4.23Å; F105-Y217 AromaticContact CZ-CE1 3.98Å; F105-Y217 HydrophobicContact CZ-CE1 3.98Å; F105-Y217 WeakPolarHBondContact CZ-O 3.37Å; R110-Y217 PolarHBondContact NH1-OH 3.32Å; R110-Y217 PolarHBondContact NH2-OH 3.06Å; P143-Y217 HydrophobicContact CG-CD1 3.94Å; P143-Y217 HydrophobicContact CG-CE1 3.88Å; R190-Y217 PolarHBondContact NH1-OH 2.81Å; Y191-Y217 AromaticContact CE1-CD1 3.98Å; Y191-Y217 HydrophobicContact CE1-CD1 3.98Å; Y191-Y217 HydrophobicContact CE1-CD2 4.38Å; Y191-Y217 AromaticContact CE1-CG 3.87Å; Y191-Y217 HydrophobicContact CE1-CG 3.87Å; Y191-Y217 WeakPolarHBondContact OH-CD1 3.15Å; Y191-Y217 WeakPolarHBondContact OH-CE1 3.31Å; Y191-Y217 VanDerWaalsContact OH-CZ 3.27Å; Y213-Y217 WeakPolarHBondContact O-CB 3.39Å; Y213-Y217 PolarHBondContact O-N 3.41Å; V214-Y217 WeakPolarHBondContact O-CB 3.38Å; V214-Y217 PolarHBondContact O-N 3.21Å; F215-Y217 VanDerWaalsContact C-N 3.31Å; F215-Y217 PolarHBondContact O-N 2.88Å; Y217-L219 PolarHBondContact O-N 2.9Å; Y217-R220 PolarHBondContact O-N 3.27Å; Y217-G221 WeakPolarHBondContact O-CA 3.18Å; Y217-G221 PolarHBondContact O-N 3.18Å; Y217-L223 HydrophobicContact CD2-CD1 4.47Å; Y217-L223 HydrophobicContact CD2-CG 4.26Å
218F98.8Very high98.2Very high0 Ų018.2 Ų18.20%011%0.111CC..Hα-helixtrans-62-42.9177.9-69.1-38000113.1L101 F105 F112 V117 M124 P143 V214 F215L101-F218 HydrophobicContact CB-CE1 4.32Å; L101-F218 HydrophobicContact CB-CZ 3.77Å; L101-F218 HydrophobicContact CD1-CE2 4.17Å; L101-F218 HydrophobicContact CD1-CZ 3.97Å; F105-F218 HydrophobicContact CB-CD1 4.43Å; F105-F218 HydrophobicContact CB-CE1 4.27Å; F105-F218 AromaticContact CD2-CD1 3.7Å; F105-F218 HydrophobicContact CD2-CD1 3.7Å; F105-F218 HydrophobicContact CD2-CE1 4.35Å; F105-F218 HydrophobicContact CE2-CB 4.39Å; F105-F218 AromaticContact CE2-CD1 3.92Å; F105-F218 HydrophobicContact CE2-CD1 3.92Å; F105-F218 WeakPolarHBondContact CE2-O 3.42Å; F105-F218 HydrophobicContact CG-CD1 4.06Å; F105-F218 HydrophobicContact CG-CE1 4.31Å; F105-F218 HydrophobicContact CZ-CD1 4.44Å; F112-F218 HydrophobicContact CB-CB 4.3Å; F112-F218 HydrophobicContact CD2-CB 3.74Å; F112-F218 AromaticContact CD2-CD1 3.61Å; F112-F218 HydrophobicContact CD2-CD1 3.61Å; F112-F218 HydrophobicContact CD2-CD2 4.17Å; F112-F218 HydrophobicContact CD2-CE1 4.21Å; F112-F218 AromaticContact CD2-CG 3.6Å; F112-F218 HydrophobicContact CD2-CG 3.6Å; F112-F218 AromaticContact CE2-CD1 3.58Å; F112-F218 HydrophobicContact CE2-CD1 3.58Å; F112-F218 HydrophobicContact CE2-CD2 4.44Å; F112-F218 AromaticContact CE2-CE1 3.71Å; F112-F218 HydrophobicContact CE2-CE1 3.71Å; F112-F218 AromaticContact CE2-CG 3.98Å; F112-F218 HydrophobicContact CE2-CG 3.98Å; F112-F218 HydrophobicContact CE2-CZ 4.21Å; F112-F218 HydrophobicContact CG-CB 4.4Å; F112-F218 PolarHBondContact N-O 2.73Å; V117-F218 HydrophobicContact CG2-CB 3.62Å; M124-F218 HydrophobicContact SD-CE2 4.4Å; P143-F218 HydrophobicContact CB-CE1 3.74Å; P143-F218 HydrophobicContact CB-CZ 3.71Å; P143-F218 HydrophobicContact CG-CE1 3.64Å; P143-F218 HydrophobicContact CG-CZ 3.69Å; V214-F218 HydrophobicContact CG1-CD2 3.86Å; V214-F218 HydrophobicContact CG1-CE2 3.3Å; V214-F218 HydrophobicContact CG1-CZ 3.68Å; V214-F218 WeakPolarHBondContact O-CD2 3.17Å; V214-F218 WeakPolarHBondContact O-CG 3.49Å; V214-F218 PolarHBondContact O-N 2.93Å; F215-F218 PolarHBondContact O-N 3.21Å
219L98.7Very high98Very high11 Ų1126.8 Ų26.86%0.05815%0.148CC..Hα-helixtrans-69-42.5178.6-69.3172.1000112.6V117 F215 M216 Y217 Y256 F260V117-L219 HydrophobicContact CB-CD2 3.97Å; V117-L219 HydrophobicContact CB-CG 4.3Å; V117-L219 HydrophobicContact CG1-CD1 4.45Å; V117-L219 HydrophobicContact CG1-CD2 4.27Å; V117-L219 HydrophobicContact CG1-CG 4.1Å; V117-L219 HydrophobicContact CG2-CD2 3.69Å; V117-L219 HydrophobicContact CG2-CG 3.97Å; F215-L219 WeakPolarHBondContact O-CG 3.42Å; F215-L219 PolarHBondContact O-N 3.01Å; F215-L219 VanDerWaalsContact O-N 3.09Å; M216-L219 HydrophobicContact CE-CD1 4.47Å; M216-L219 HydrophobicContact SD-CD1 4Å; Y217-L219 PolarHBondContact O-N 2.9Å; L219-Y256 HydrophobicContact CB-CD1 3.78Å; L219-Y256 HydrophobicContact CB-CE1 3.65Å; L219-Y256 HydrophobicContact CD1-CD1 4.04Å; L219-Y256 HydrophobicContact CD1-CG 4.41Å; L219-Y256 HydrophobicContact CD2-CD1 4.45Å; L219-Y256 HydrophobicContact CG-CD1 4.32Å; L219-Y256 PolarHBondContact O-OH 3.18Å; L219-F260 HydrophobicContact CD1-CD1 3.97Å; L219-F260 HydrophobicContact CD1-CD2 3.86Å; L219-F260 HydrophobicContact CD1-CE1 3.75Å; L219-F260 HydrophobicContact CD1-CE2 3.64Å; L219-F260 HydrophobicContact CD1-CG 4.04Å; L219-F260 HydrophobicContact CD1-CZ 3.6Å
220R98.3Very high97.7Very high42 Ų4228.1 Ų28.116%0.15816%0.16CC..Hα-helixtrans-84.7-28.9-170.9-64.6172.565.281.19.9113.7R111 M216 Y217 H222 L252 Y256R111-R220 PolarHBondContact NE-O 3.44Å; R111-R220 PolarHBondContact NH2-O 3.25Å; M216-R220 HydrophobicContact CE-CG 3.9Å; M216-R220 WeakPolarHBondContact O-CB 3.08Å; M216-R220 WeakPolarHBondContact O-CD 3.4Å; M216-R220 WeakPolarHBondContact O-CG 3.41Å; M216-R220 PolarHBondContact O-N 3.26Å; Y217-R220 PolarHBondContact O-N 3.27Å; R220-H222 WeakPolarHBondContact CB-O 3.31Å; R220-H222 PolarHBondContact NE-O 3.16Å; R220-H222 PolarHBondContact O-N 3Å; R220-L252 PolarHBondContact NH1-O 2.69Å; R220-Y256 WeakPolarHBondContact CA-OH 3.4Å; R220-Y256 HydrophobicContact CG-CD2 4.39Å; R220-Y256 HydrophobicContact CG-CE2 3.57Å
221G98Very high97.6Very high8 Ų835.3 Ų35.38%0.08220%0.198CC..SBendtrans89-24.6-166.900000114.6R110 Y217R110-G221 PolarHBondContact NH2-O 2.95Å; R110-G221 WeakPolarHBondContact O-CA 3.18Å; Y217-G221 WeakPolarHBondContact O-CA 3.18Å; Y217-G221 PolarHBondContact O-N 3.18Å
222H97.6Very high97.4Very high98 Ų9838.6 Ų38.645%0.45422%0.218SC..SBendtrans-158.5156.1178.166.6-77.9000111.3R220R220-H222 WeakPolarHBondContact CB-O 3.31Å; R220-H222 PolarHBondContact NE-O 3.16Å; R220-H222 PolarHBondContact O-N 3Å
223L98.6Very high97.1Very high1 Ų145.4 Ų45.41%0.00525%0.247CC..  trans-98.7147.7172.5-65.2167000110.5R190 Y191 M216 Y217 W225 Q226 L252R190-L223 HydrophobicContact CG-CD1 4.16Å; Y191-L223 HydrophobicContact CD1-CD1 4.15Å; Y191-L223 HydrophobicContact CE1-CD1 4.14Å; M216-L223 HydrophobicContact CB-CD2 4.2Å; Y217-L223 HydrophobicContact CD2-CD1 4.47Å; Y217-L223 HydrophobicContact CD2-CG 4.26Å; L223-W225 HydrophobicContact CB-CD2 4.2Å; L223-W225 HydrophobicContact CB-CZ2 3.99Å; L223-W225 HydrophobicContact CD1-CZ2 3.83Å; L223-W225 HydrophobicContact CD2-CH2 4.32Å; L223-W225 HydrophobicContact CD2-CZ2 3.91Å; L223-W225 HydrophobicContact CG-CZ2 4.12Å; L223-W225 PolarHBondContact O-N 3.37Å; L223-Q226 HydrophobicContact CB-CG 4.29Å; L223-Q226 WeakPolarHBondContact O-CB 3.32Å; L223-Q226 PolarHBondContact O-N 3.01Å; L223-L252 HydrophobicContact CD2-CD1 4.13Å
224P98.4Very high96.8Very high34 Ų3452.4 Ų52.422%0.22128%0.278CS..THydrogen-bonded Turntrans-60.2-17.6-175.9-26.636.1000116.2T247 L252P224-T247 HydrophobicContact CG-CG2 4.24Å; P224-L252 HydrophobicContact CG-CD1 3.91Å
225W98.3Very high96.6Very high3 Ų355.8 Ų55.81%0.01129%0.293CS..THydrogen-bonded Turntrans-100.412.4178.749.780000113.4R190 Y213 L223 L228 I240 K243 K244 T247 L252R190-W225 PolarHBondContact O-NE1 3.26Å; Y213-W225 AromaticContact CD1-CH2 3.55Å; Y213-W225 HydrophobicContact CD1-CH2 3.55Å; Y213-W225 AromaticContact CD1-CZ2 3.56Å; Y213-W225 HydrophobicContact CD1-CZ2 3.56Å; Y213-W225 HydrophobicContact CD2-CZ2 4.35Å; Y213-W225 AromaticContact CE1-CH2 3.46Å; Y213-W225 HydrophobicContact CE1-CH2 3.46Å; Y213-W225 VanDerWaalsContact CE1-CH2 3.46Å; Y213-W225 AromaticContact CE1-CZ2 3.82Å; Y213-W225 HydrophobicContact CE1-CZ2 3.82Å; Y213-W225 HydrophobicContact CG-CH2 4.31Å; Y213-W225 AromaticContact CG-CZ2 3.85Å; Y213-W225 HydrophobicContact CG-CZ2 3.85Å; L223-W225 HydrophobicContact CB-CD2 4.2Å; L223-W225 HydrophobicContact CB-CZ2 3.99Å; L223-W225 HydrophobicContact CD1-CZ2 3.83Å; L223-W225 HydrophobicContact CD2-CH2 4.32Å; L223-W225 HydrophobicContact CD2-CZ2 3.91Å; L223-W225 HydrophobicContact CG-CZ2 4.12Å; L223-W225 PolarHBondContact O-N 3.37Å; W225-L228 HydrophobicContact CB-CD1 4.22Å; W225-I240 HydrophobicContact CB-CG2 4.16Å; W225-I240 HydrophobicContact CG-CG2 4.19Å; W225-K243 HydrophobicContact CB-CB 3.94Å; W225-K243 HydrophobicContact CB-CG 3.86Å; W225-K244 HydrophobicContact CD2-CD 4.31Å; W225-K244 HydrophobicContact CD2-CG 3.5Å; W225-K244 HydrophobicContact CE3-CB 4.36Å; W225-K244 HydrophobicContact CE3-CG 3.51Å; W225-K244 HydrophobicContact CG-CG 4.03Å; W225-K244 HydrophobicContact CH2-CG 4.1Å; W225-K244 HydrophobicContact CZ2-CD 4.46Å; W225-K244 HydrophobicContact CZ2-CG 4.09Å; W225-K244 HydrophobicContact CZ3-CG 3.82Å; W225-T247 HydrophobicContact CZ3-CG2 4.29Å; W225-L252 HydrophobicContact CH2-CD1 4.37Å; W225-L252 HydrophobicContact CH2-CD2 3.87Å; W225-L252 HydrophobicContact CZ3-CD2 4.48Å
226Q97.5Very high96.5Very high49 Ų4960.5 Ų60.523%0.22931%0.314CS..SBendtrans-81.6155.7168.6-72179.9-114.800111.5R190 L223 L228R190-Q226 HydrophobicContact CG-CG 4Å; L223-Q226 HydrophobicContact CB-CG 4.29Å; L223-Q226 WeakPolarHBondContact O-CB 3.32Å; L223-Q226 PolarHBondContact O-N 3.01Å; Q226-L228 PolarHBondContact O-N 3.11Å; Q226-L228 VanDerWaalsContact O-N 3.14Å
227G94.2Very high96.4Very high76 Ų7664 Ų6478%0.78433%0.328SS*.SBendtrans70.85.5173.500000115.8K229G227-K229 PolarHBondContact O-N 2.76Å
228L95Very high96.3Very high49 Ų4968 Ų6826%0.25735%0.346SS..  trans-64.5126177.9-55.4-178.8000110.7W225 Q226 R239 I240 K243W225-L228 HydrophobicContact CB-CD1 4.22Å; Q226-L228 PolarHBondContact O-N 3.11Å; Q226-L228 VanDerWaalsContact O-N 3.14Å; L228-R239 HydrophobicContact CD1-CB 4.08Å; L228-R239 WeakPolarHBondContact CD1-O 3.48Å; L228-I240 HydrophobicContact CD1-CG1 4.2Å; L228-K243 HydrophobicContact CD1-CB 4.07Å; L228-K243 HydrophobicContact CD1-CG 4.45Å
229K93.9Very high96.2Very high180 Ų18073.5 Ų73.578%0.78337%0.367SS*.  trans-78.6147.1175.2-60.9-176.5-179-179.20109.8G227 R239G227-K229 PolarHBondContact O-N 2.76Å; K229-R239 WeakPolarHBondContact O-CD 3.5Å; K229-R239 PolarHBondContact O-NH1 3.17Å
230A94.4Very high96.2Very high32 Ų3273.5 Ų73.526%0.26437%0.367SS..  trans-162.6155.717200000109.6Q235 K236A230-Q235 HydrophobicContact CB-CB 3.92Å; A230-K236 HydrophobicContact CB-CB 3.8Å; A230-K236 HydrophobicContact CB-CG 4.46Å
231N94.8Very high96.2Very high155 Ų15574.8 Ų74.883%0.82937%0.372SS*.SBendtrans-80.4-29-178-61-22.1000112.2
232T95.4Very high96.2Very high68 Ų6880.1 Ų80.142%0.41740%0.395SS..SBendtrans-126.5159.4178.773.70000111.5K234 Q235 K236T232-K234 VanDerWaalsContact C-N 3.29Å; T232-K234 PolarHBondContact O-N 2.71Å; T232-Q235 PolarHBondContact O-N 3.33Å; T232-Q235 WeakPolarHBondContact OG1-CB 3.43Å; T232-Q235 WeakPolarHBondContact OG1-CG 3.08Å; T232-Q235 PolarHBondContact OG1-N 3.22Å; T232-Q235 VanDerWaalsContact OG1-N 3.14Å; T232-K236 PolarHBondContact O-N 3.17Å
233K92.1Very high96.3Very high145 Ų14579.8 Ų79.863%0.6339%0.392SS*.Hα-helixtrans-60.3-39.5174.5-173.3176.3179.3179.50112K236 Y237K233-K236 WeakPolarHBondContact O-CB 3.1Å; K233-K236 PolarHBondContact O-N 3.32Å; K233-Y237 HydrophobicContact CD-CE2 4.34Å; K233-Y237 WeakPolarHBondContact CE-OH 3.34Å; K233-Y237 HydrophobicContact CG-CD2 4.44Å; K233-Y237 HydrophobicContact CG-CE1 4.17Å; K233-Y237 HydrophobicContact CG-CE2 3.91Å; K233-Y237 PolarHBondContact O-N 3.44Å; K233-Y237 VanDerWaalsContact O-N 3.09Å
234K93.3Very high96.3Very high148 Ų14879.7 Ų79.764%0.64339%0.392SS*.Hα-helixtrans-61.3-51.2176.8-176.8177.8174.4-1780111.1T232 K236 Y237 E238T232-K234 VanDerWaalsContact C-N 3.29Å; T232-K234 PolarHBondContact O-N 2.71Å; K234-K236 VanDerWaalsContact C-N 3.27Å; K234-K236 PolarHBondContact O-N 2.77Å; K234-Y237 PolarHBondContact O-N 2.98Å; K234-E238 WeakPolarHBondContact CE-OE1 3.11Å; K234-E238 PolarHBondContact O-N 2.84Å
235Q95.7Very high96.3Very high70 Ų7082.6 Ų82.633%0.32741%0.405SS..Hα-helixtrans-60.9-35.7176.2-73.7172.4-7.400112.5A230 T232 Y237 E238 R239A230-Q235 HydrophobicContact CB-CB 3.92Å; T232-Q235 PolarHBondContact O-N 3.33Å; T232-Q235 WeakPolarHBondContact OG1-CB 3.43Å; T232-Q235 WeakPolarHBondContact OG1-CG 3.08Å; T232-Q235 PolarHBondContact OG1-N 3.22Å; T232-Q235 VanDerWaalsContact OG1-N 3.14Å; Q235-Y237 VanDerWaalsContact C-N 3.31Å; Q235-Y237 PolarHBondContact O-N 3.04Å; Q235-E238 PolarHBondContact O-N 3.3Å; Q235-R239 WeakPolarHBondContact O-CG 3.16Å; Q235-R239 PolarHBondContact O-N 3.3Å
236K96.2Very high96.3Very high100 Ų10086.3 Ų86.344%0.43544%0.436SS..Hα-helixtrans-61.2-42.5175.1-168.1175.3-177.7175.30111.2A230 T232 K233 K234 I240A230-K236 HydrophobicContact CB-CB 3.8Å; A230-K236 HydrophobicContact CB-CG 4.46Å; T232-K236 PolarHBondContact O-N 3.17Å; K233-K236 WeakPolarHBondContact O-CB 3.1Å; K233-K236 PolarHBondContact O-N 3.32Å; K234-K236 VanDerWaalsContact C-N 3.27Å; K234-K236 PolarHBondContact O-N 2.77Å; K236-I240 HydrophobicContact CG-CD1 4.32Å; K236-I240 VanDerWaalsContact O-CG1 3.28Å; K236-I240 WeakPolarHBondContact O-CG1 3.43Å; K236-I240 PolarHBondContact O-N 2.83Å; K236-I240 VanDerWaalsContact O-N 3.09Å
237Y96.1Very high96.3Very high75 Ų7584.4 Ų84.429%0.29443%0.428SS..Hα-helixtrans-69.4-42.3179.1-64.2-14000111.8L185 A189 K233 K234 Q235 R239 I240 Y241L185-Y237 HydrophobicContact CD2-CD1 4.4Å; L185-Y237 HydrophobicContact CD2-CD2 3.8Å; L185-Y237 HydrophobicContact CD2-CE2 4.01Å; L185-Y237 HydrophobicContact CD2-CG 3.96Å; A189-Y237 HydrophobicContact CB-CD1 3.95Å; A189-Y237 HydrophobicContact CB-CE1 3.79Å; K233-Y237 HydrophobicContact CD-CE2 4.34Å; K233-Y237 WeakPolarHBondContact CE-OH 3.34Å; K233-Y237 HydrophobicContact CG-CD2 4.44Å; K233-Y237 HydrophobicContact CG-CE1 4.17Å; K233-Y237 HydrophobicContact CG-CE2 3.91Å; K233-Y237 PolarHBondContact O-N 3.44Å; K233-Y237 VanDerWaalsContact O-N 3.09Å; K234-Y237 PolarHBondContact O-N 2.98Å; Q235-Y237 VanDerWaalsContact C-N 3.31Å; Q235-Y237 PolarHBondContact O-N 3.04Å; Y237-R239 PolarHBondContact O-N 2.78Å; Y237-I240 HydrophobicContact CD1-CD1 4.47Å; Y237-I240 PolarHBondContact O-N 3.49Å; Y237-Y241 WeakPolarHBondContact O-CB 3.41Å; Y237-Y241 PolarHBondContact O-N 2.79Å
238E96.6Very high96.5Very high83 Ų8383 Ų8339%0.38841%0.406SS..Hα-helixtrans-56.4-47.4172.6-72165177.700111.5K234 Q235 I240 Y241 E242K234-E238 WeakPolarHBondContact CE-OE1 3.11Å; K234-E238 PolarHBondContact O-N 2.84Å; Q235-E238 PolarHBondContact O-N 3.3Å; E238-I240 VanDerWaalsContact C-N 3.35Å; E238-I240 PolarHBondContact O-N 2.86Å; E238-Y241 WeakPolarHBondContact O-CB 3.4Å; E238-Y241 PolarHBondContact O-N 2.93Å; E238-Y241 VanDerWaalsContact O-N 3.14Å; E238-E242 WeakPolarHBondContact O-CG 3.32Å; E238-E242 PolarHBondContact O-N 3.37Å
239R98.1Very high96.7Very high116 Ų11681 Ų8144%0.43840%0.396SS..Hα-helixtrans-63.4-36.9177-72-178.2-175.4-159.9-5.9113.5L228 K229 Q235 Y237 Y241 K243L228-R239 HydrophobicContact CD1-CB 4.08Å; L228-R239 WeakPolarHBondContact CD1-O 3.48Å; K229-R239 WeakPolarHBondContact O-CD 3.5Å; K229-R239 PolarHBondContact O-NH1 3.17Å; Q235-R239 WeakPolarHBondContact O-CG 3.16Å; Q235-R239 PolarHBondContact O-N 3.3Å; Y237-R239 PolarHBondContact O-N 2.78Å; R239-Y241 VanDerWaalsContact C-N 3.35Å; R239-K243 VanDerWaalsContact O-CB 3.26Å; R239-K243 WeakPolarHBondContact O-CB 3.23Å; R239-K243 PolarHBondContact O-N 2.88Å
240I98.3Very high96.9Very high12 Ų1276.1 Ų76.16%0.06238%0.376CS..Hα-helixtrans-64.4-45.1174.6-70.7166.4000109.7A189 W225 L228 K236 Y237 E238 K243 K244A189-I240 HydrophobicContact CB-CD1 4.16Å; W225-I240 HydrophobicContact CB-CG2 4.16Å; W225-I240 HydrophobicContact CG-CG2 4.19Å; L228-I240 HydrophobicContact CD1-CG1 4.2Å; K236-I240 HydrophobicContact CG-CD1 4.32Å; K236-I240 VanDerWaalsContact O-CG1 3.28Å; K236-I240 WeakPolarHBondContact O-CG1 3.43Å; K236-I240 PolarHBondContact O-N 2.83Å; K236-I240 VanDerWaalsContact O-N 3.09Å; Y237-I240 HydrophobicContact CD1-CD1 4.47Å; Y237-I240 PolarHBondContact O-N 3.49Å; E238-I240 VanDerWaalsContact C-N 3.35Å; E238-I240 PolarHBondContact O-N 2.86Å; I240-K243 PolarHBondContact O-N 2.79Å; I240-K244 HydrophobicContact CG2-CD 4.21Å; I240-K244 WeakPolarHBondContact O-CG 3.49Å; I240-K244 PolarHBondContact O-N 3.36Å
241Y98.2Very high97.1Very high68 Ų6877.2 Ų77.227%0.26739%0.386SS..Hα-helixtrans-60.6-51.9178.6176.5-130.9000112I194 H197 A198 Y237 E238 R239 K243 K244 L245I194-Y241 HydrophobicContact CG2-CE2 3.77Å; H197-Y241 HydrophobicContact CB-CD2 3.28Å; H197-Y241 HydrophobicContact CB-CE2 3.95Å; H197-Y241 HydrophobicContact CB-CG 3.7Å; A198-Y241 HydrophobicContact CB-CE2 4.16Å; A198-Y241 WeakPolarHBondContact CB-OH 3.45Å; Y237-Y241 WeakPolarHBondContact O-CB 3.41Å; Y237-Y241 PolarHBondContact O-N 2.79Å; E238-Y241 WeakPolarHBondContact O-CB 3.4Å; E238-Y241 PolarHBondContact O-N 2.93Å; E238-Y241 VanDerWaalsContact O-N 3.14Å; R239-Y241 VanDerWaalsContact C-N 3.35Å; Y241-K243 VanDerWaalsContact C-N 3.3Å; Y241-K243 PolarHBondContact O-N 2.77Å; Y241-K244 WeakPolarHBondContact O-CB 3.11Å; Y241-K244 PolarHBondContact O-N 2.85Å; Y241-K244 VanDerWaalsContact O-N 3.09Å; Y241-L245 HydrophobicContact CD1-CD1 4.3Å; Y241-L245 HydrophobicContact CD2-CD1 4.26Å; Y241-L245 HydrophobicContact CD2-CG 4.28Å; Y241-L245 HydrophobicContact CE1-CD1 3.84Å; Y241-L245 HydrophobicContact CE2-CD1 3.82Å; Y241-L245 HydrophobicContact CE2-CD2 4.25Å; Y241-L245 HydrophobicContact CE2-CG 3.96Å; Y241-L245 PolarHBondContact O-N 3.31Å
242E98.3Very high97.3Very high120 Ų12069.9 Ų69.956%0.56135%0.346SS*.Hα-helixtrans-56.7-44.3176.2-71.2168.6-179.200111.5E238 K244 L245 A246E238-E242 WeakPolarHBondContact O-CG 3.32Å; E238-E242 PolarHBondContact O-N 3.37Å; E242-K244 VanDerWaalsContact C-N 3.32Å; E242-K244 PolarHBondContact O-N 2.84Å; E242-L245 PolarHBondContact O-N 2.96Å; E242-A246 WeakPolarHBondContact O-CB 3.47Å; E242-A246 PolarHBondContact O-N 3.45Å
243K98.6Very high97.4Very high91 Ų9166.9 Ų66.940%0.39633%0.328SS..Hα-helixtrans-66.8-33178.8-171.162.3175.5-179.20112.4W225 L228 R239 I240 Y241 T247W225-K243 HydrophobicContact CB-CB 3.94Å; W225-K243 HydrophobicContact CB-CG 3.86Å; L228-K243 HydrophobicContact CD1-CB 4.07Å; L228-K243 HydrophobicContact CD1-CG 4.45Å; R239-K243 VanDerWaalsContact O-CB 3.26Å; R239-K243 WeakPolarHBondContact O-CB 3.23Å; R239-K243 PolarHBondContact O-N 2.88Å; I240-K243 PolarHBondContact O-N 2.79Å; Y241-K243 VanDerWaalsContact C-N 3.3Å; Y241-K243 PolarHBondContact O-N 2.77Å; K243-T247 WeakPolarHBondContact O-CB 3.24Å; K243-T247 PolarHBondContact O-N 2.72Å; K243-T247 PolarHBondContact O-OG1 3.12Å
244K98.5Very high97.7Very high0 Ų068 Ų680%033%0.333CS..Hα-helixtrans-66.7-45173.2-79.9178.3170.4-178.60111.8A189 R190 A192 I194 Y213 W225 I240 Y241 E242 A246 T247A189-K244 PolarHBondContact O-NZ 2.73Å; R190-K244 PolarHBondContact O-NZ 2.77Å; A192-K244 PolarHBondContact O-NZ 3.03Å; I194-K244 HydrophobicContact CD1-CB 4.44Å; I194-K244 HydrophobicContact CG1-CB 4.03Å; Y213-K244 HydrophobicContact CE2-CD 4.48Å; W225-K244 HydrophobicContact CD2-CD 4.31Å; W225-K244 HydrophobicContact CD2-CG 3.5Å; W225-K244 HydrophobicContact CE3-CB 4.36Å; W225-K244 HydrophobicContact CE3-CG 3.51Å; W225-K244 HydrophobicContact CG-CG 4.03Å; W225-K244 HydrophobicContact CH2-CG 4.1Å; W225-K244 HydrophobicContact CZ2-CD 4.46Å; W225-K244 HydrophobicContact CZ2-CG 4.09Å; W225-K244 HydrophobicContact CZ3-CG 3.82Å; I240-K244 HydrophobicContact CG2-CD 4.21Å; I240-K244 WeakPolarHBondContact O-CG 3.49Å; I240-K244 PolarHBondContact O-N 3.36Å; Y241-K244 WeakPolarHBondContact O-CB 3.11Å; Y241-K244 PolarHBondContact O-N 2.85Å; Y241-K244 VanDerWaalsContact O-N 3.09Å; E242-K244 VanDerWaalsContact C-N 3.32Å; E242-K244 PolarHBondContact O-N 2.84Å; K244-A246 VanDerWaalsContact C-N 3.34Å; K244-T247 PolarHBondContact O-N 3.36Å; K244-T247 VanDerWaalsContact O-O 3.13Å
245L98.1Very high97.9Very high94 Ų9464.8 Ų64.849%0.49234%0.341SS..Hα-helixtrans-61.8-42175.5-71.8173.3000111.9I194 Y241 E242 T247I194-L245 HydrophobicContact CD1-CD2 4.37Å; I194-L245 HydrophobicContact CG2-CD2 3.68Å; I194-L245 HydrophobicContact CG2-CG 4.5Å; Y241-L245 HydrophobicContact CD1-CD1 4.3Å; Y241-L245 HydrophobicContact CD2-CD1 4.26Å; Y241-L245 HydrophobicContact CD2-CG 4.28Å; Y241-L245 HydrophobicContact CE1-CD1 3.84Å; Y241-L245 HydrophobicContact CE2-CD1 3.82Å; Y241-L245 HydrophobicContact CE2-CD2 4.25Å; Y241-L245 HydrophobicContact CE2-CG 3.96Å; Y241-L245 PolarHBondContact O-N 3.31Å; E242-L245 PolarHBondContact O-N 2.96Å; L245-T247 PolarHBondContact O-N 3.46Å
246A98.2Very high98Very high81 Ų8164.7 Ų64.767%0.66934%0.339SS*.THydrogen-bonded Turntrans-74-9178.500000114.1E242 K244E242-A246 WeakPolarHBondContact O-CB 3.47Å; E242-A246 PolarHBondContact O-N 3.45Å; K244-A246 VanDerWaalsContact C-N 3.34Å
247T98.5Very high98.1Very high10 Ų1061.7 Ų61.76%0.06133%0.329CS..SBendtrans-106103.1178.8-52.80000109.6P224 W225 K243 K244 L245 A251 L252 R268P224-T247 HydrophobicContact CG-CG2 4.24Å; W225-T247 HydrophobicContact CZ3-CG2 4.29Å; K243-T247 WeakPolarHBondContact O-CB 3.24Å; K243-T247 PolarHBondContact O-N 2.72Å; K243-T247 PolarHBondContact O-OG1 3.12Å; K244-T247 PolarHBondContact O-N 3.36Å; K244-T247 VanDerWaalsContact O-O 3.13Å; L245-T247 PolarHBondContact O-N 3.46Å; T247-A251 HydrophobicContact CG2-CB 4.34Å; T247-L252 HydrophobicContact CG2-CB 3.93Å; T247-R268 PolarHBondContact O-NH1 3.26Å
248S98.3Very high98.2Very high46 Ų4661.1 Ų61.132%0.32233%0.334SS..  trans-68.1158.4174.384.30000111.6E250 A251 L252S248-E250 VanDerWaalsContact C-N 3.25Å; S248-E250 WeakPolarHBondContact CB-OE2 3.36Å; S248-E250 PolarHBondContact O-N 2.74Å; S248-E250 PolarHBondContact OG-N 3.09Å; S248-E250 PolarHBondContact OG-OE2 3.08Å; S248-A251 PolarHBondContact O-N 2.84Å; S248-A251 PolarHBondContact OG-N 3.22Å; S248-L252 PolarHBondContact O-N 2.97Å
249P98.6Very high98.3Very high6 Ų659 Ų594%0.03932%0.323CS..Hα-helixtrans-54.7-40.4173.8-28.540.4000112.8A251 L252 C253 E261 L264P249-A251 PolarHBondContact O-N 2.84Å; P249-L252 PolarHBondContact O-N 2.64Å; P249-C253 VanDerWaalsContact O-CB 3.26Å; P249-C253 WeakPolarHBondContact O-CB 3.37Å; P249-C253 PolarHBondContact O-N 3.46Å; P249-C253 PolarHBondContact O-SG 2.89Å; P249-C253 VanDerWaalsContact O-SG 3.38Å; P249-E261 HydrophobicContact CB-CG 3.96Å; P249-L264 HydrophobicContact CB-CB 3.95Å; P249-L264 HydrophobicContact CB-CD1 4.48Å; P249-L264 HydrophobicContact CG-CB 4.23Å
250E98.5Very high98.4Very high78 Ų7853.6 Ų53.636%0.36430%0.303SS..Hα-helixtrans-60.5-46.5176.8-55.173.2-166.600110.7S248 L252 C253 K254 E261 H265S248-E250 VanDerWaalsContact C-N 3.25Å; S248-E250 WeakPolarHBondContact CB-OE2 3.36Å; S248-E250 PolarHBondContact O-N 2.74Å; S248-E250 PolarHBondContact OG-N 3.09Å; S248-E250 PolarHBondContact OG-OE2 3.08Å; E250-L252 PolarHBondContact O-N 2.74Å; E250-C253 PolarHBondContact O-N 3.19Å; E250-K254 WeakPolarHBondContact O-CA 3.11Å; E250-K254 WeakPolarHBondContact O-CB 3.25Å; E250-K254 PolarHBondContact O-N 3.3Å; E250-E261 HydrophobicContact CG-CG 4.37Å; E250-H265 IonicContact OE1-CE1 3.88Å; E250-H265 PolarHBondContact OE1-CE1 3.38Å; E250-H265 IonicContact OE1-NE2 3.44Å; E250-H265 PolarHBondContact OE1-NE2 2.49Å
251A98.5Very high98.4Very high56 Ų5655.2 Ų55.246%0.46331%0.311SS..Hα-helixtrans-66.4-38.3179.600000112T247 S248 P249T247-A251 HydrophobicContact CG2-CB 4.34Å; S248-A251 PolarHBondContact O-N 2.84Å; S248-A251 PolarHBondContact OG-N 3.22Å; P249-A251 PolarHBondContact O-N 2.84Å
252L98.5Very high98.4Very high1 Ų156.7 Ų56.71%0.00532%0.318CS..Hα-helixtrans-69.4-40.5177.3-175.558.9000111.8Y213 M216 R220 L223 P224 W225 T247 S248 P249 E250 L264Y213-L252 HydrophobicContact CD1-CD2 4.02Å; Y213-L252 HydrophobicContact CE1-CD2 4.14Å; M216-L252 HydrophobicContact CB-CD2 4.25Å; M216-L252 HydrophobicContact CB-CG 4.23Å; M216-L252 WeakPolarHBondContact CE-O 3.38Å; M216-L252 HydrophobicContact CG-CD2 4.15Å; M216-L252 HydrophobicContact CG-CG 4.14Å; R220-L252 PolarHBondContact NH1-O 2.69Å; L223-L252 HydrophobicContact CD2-CD1 4.13Å; P224-L252 HydrophobicContact CG-CD1 3.91Å; W225-L252 HydrophobicContact CH2-CD1 4.37Å; W225-L252 HydrophobicContact CH2-CD2 3.87Å; W225-L252 HydrophobicContact CZ3-CD2 4.48Å; T247-L252 HydrophobicContact CG2-CB 3.93Å; S248-L252 PolarHBondContact O-N 2.97Å; P249-L252 PolarHBondContact O-N 2.64Å; E250-L252 PolarHBondContact O-N 2.74Å; L252-L264 HydrophobicContact CD2-CD1 3.77Å
253C98.5Very high98.4Very high4 Ų451 Ų513%0.02729%0.292CS..Hα-helixtrans-90.3-1.8-176.4-63.80000113.9M216 P249 E250 G255 Y256 F260 E261M216-C253 HydrophobicContact CE-CB 4.4Å; P249-C253 VanDerWaalsContact O-CB 3.26Å; P249-C253 WeakPolarHBondContact O-CB 3.37Å; P249-C253 PolarHBondContact O-N 3.46Å; P249-C253 PolarHBondContact O-SG 2.89Å; P249-C253 VanDerWaalsContact O-SG 3.38Å; E250-C253 PolarHBondContact O-N 3.19Å; C253-G255 PolarHBondContact O-N 3.49Å; C253-Y256 WeakPolarHBondContact O-CB 3.38Å; C253-Y256 PolarHBondContact O-N 3.32Å; C253-F260 VanDerWaalsContact SG-C 3.57Å; C253-E261 HydrophobicContact CB-CB 3.88Å; C253-E261 PolarHBondContact SG-N 3.35Å; C253-E261 VanDerWaalsContact SG-N 3.44Å
254K98.2Very high98.4Very high169 Ų16946.7 Ų46.774%0.73527%0.273SS*.THydrogen-bonded Turntrans-51.3123.1178-171.1178.6-176.7177.80111.7E250 Y256E250-K254 WeakPolarHBondContact O-CA 3.11Å; E250-K254 WeakPolarHBondContact O-CB 3.25Å; E250-K254 PolarHBondContact O-N 3.3Å; K254-Y256 WeakPolarHBondContact O-CD2 3.43Å
255G97.8Very high98.4Very high80 Ų8050.6 Ų50.683%0.82529%0.291SS*.THydrogen-bonded Turntrans87.31.5-178.500000114.9C253C253-G255 PolarHBondContact O-N 3.49Å
256Y98.1Very high98.5Very high69 Ų6948.8 Ų48.827%0.27128%0.279SS..SBendtrans-117.5164.7174.5-58.5-84.8000110M216 L219 R220 C253 K254M216-Y256 HydrophobicContact CE-CD2 3.7Å; M216-Y256 HydrophobicContact CE-CE2 4.25Å; M216-Y256 HydrophobicContact CE-CG 4.04Å; L219-Y256 HydrophobicContact CB-CD1 3.78Å; L219-Y256 HydrophobicContact CB-CE1 3.65Å; L219-Y256 HydrophobicContact CD1-CD1 4.04Å; L219-Y256 HydrophobicContact CD1-CG 4.41Å; L219-Y256 HydrophobicContact CD2-CD1 4.45Å; L219-Y256 HydrophobicContact CG-CD1 4.32Å; L219-Y256 PolarHBondContact O-OH 3.18Å; R220-Y256 WeakPolarHBondContact CA-OH 3.4Å; R220-Y256 HydrophobicContact CG-CD2 4.39Å; R220-Y256 HydrophobicContact CG-CE2 3.57Å; C253-Y256 WeakPolarHBondContact O-CB 3.38Å; C253-Y256 PolarHBondContact O-N 3.32Å; K254-Y256 WeakPolarHBondContact O-CD2 3.43Å
257P98.4Very high98.5Very high36 Ų3645 Ų4523%0.23425%0.248CC..  trans-54.7140.2178.8-28.336.6000113.5E259 F260 L288P257-E259 PolarHBondContact O-N 3Å; P257-E259 VanDerWaalsContact O-N 3.09Å; P257-F260 HydrophobicContact CB-CD2 4.11Å; P257-F260 HydrophobicContact CB-CE2 4.25Å; P257-F260 HydrophobicContact CG-CD2 4.43Å; P257-F260 HydrophobicContact CG-CE2 4.23Å; P257-F260 WeakPolarHBondContact O-CD2 3.42Å; P257-F260 PolarHBondContact O-N 3.22Å; P257-F260 VanDerWaalsContact O-N 3.17Å; P257-L288 HydrophobicContact CB-CD1 3.83Å; P257-L288 HydrophobicContact CB-CD2 3.47Å; P257-L288 VanDerWaalsContact CB-CD2 3.47Å; P257-L288 HydrophobicContact CB-CG 4.31Å; P257-L288 HydrophobicContact CG-CD1 4.22Å; P257-L288 HydrophobicContact CG-CD2 3.96Å
258V98.2Very high98.4Very high64 Ų6448 Ų4839%0.38826%0.258SS..Hα-helixtrans-63.1-19-174.570.40000112.9F260 E261 K262V258-F260 PolarHBondContact O-N 2.78Å; V258-E261 HydrophobicContact CG2-CB 4.46Å; V258-E261 VanDerWaalsContact O-CB 3.29Å; V258-E261 WeakPolarHBondContact O-CB 3.43Å; V258-E261 PolarHBondContact O-N 2.94Å; V258-E261 VanDerWaalsContact O-N 3.09Å; V258-K262 WeakPolarHBondContact O-CG 3.49Å; V258-K262 PolarHBondContact O-N 2.73Å
259E98.7Very high98.4Very high37 Ų3749 Ų4917%0.17328%0.275CS..Hα-helixtrans-62.7-31.3177.1-69.965-142.100112.4P257 E261 K262 Y263 I284 F285 L288P257-E259 PolarHBondContact O-N 3Å; P257-E259 VanDerWaalsContact O-N 3.09Å; E259-E261 VanDerWaalsContact C-N 3.34Å; E259-K262 PolarHBondContact O-N 2.74Å; E259-K262 IonicContact OE1-NZ 3.01Å; E259-K262 PolarHBondContact OE1-NZ 2.94Å; E259-Y263 WeakPolarHBondContact O-CB 3.42Å; E259-Y263 PolarHBondContact O-N 2.81Å; E259-I284 HydrophobicContact CG-CB 4.47Å; E259-F285 HydrophobicContact CB-CD1 4.29Å; E259-F285 HydrophobicContact CB-CE1 4.36Å; E259-L288 HydrophobicContact CB-CB 4.47Å; E259-L288 HydrophobicContact CB-CD2 3.96Å; E259-L288 HydrophobicContact CG-CB 4.02Å; E259-L288 HydrophobicContact CG-CD2 4.26Å
260F98.7Very high98.4Very high3 Ų349.6 Ų49.61%0.01328%0.278CS..Hα-helixtrans-68.8-35.1173.8-67-79.6000111.9V117 L118 F215 M216 L219 C253 P257 V258 L264 F285 L288V117-F260 HydrophobicContact CG1-CE1 3.93Å; V117-F260 HydrophobicContact CG1-CZ 4.1Å; L118-F260 HydrophobicContact CD2-CE1 4.47Å; L118-F260 HydrophobicContact CD2-CE2 4.4Å; L118-F260 HydrophobicContact CD2-CZ 3.76Å; L118-F260 HydrophobicContact CG-CZ 4.27Å; F215-F260 HydrophobicContact CB-CD1 4.19Å; F215-F260 HydrophobicContact CB-CE1 4.08Å; M216-F260 HydrophobicContact SD-CB 3.64Å; M216-F260 HydrophobicContact SD-CD1 4.18Å; M216-F260 HydrophobicContact SD-CG 3.98Å; L219-F260 HydrophobicContact CD1-CD1 3.97Å; L219-F260 HydrophobicContact CD1-CD2 3.86Å; L219-F260 HydrophobicContact CD1-CE1 3.75Å; L219-F260 HydrophobicContact CD1-CE2 3.64Å; L219-F260 HydrophobicContact CD1-CG 4.04Å; L219-F260 HydrophobicContact CD1-CZ 3.6Å; C253-F260 VanDerWaalsContact SG-C 3.57Å; P257-F260 HydrophobicContact CB-CD2 4.11Å; P257-F260 HydrophobicContact CB-CE2 4.25Å; P257-F260 HydrophobicContact CG-CD2 4.43Å; P257-F260 HydrophobicContact CG-CE2 4.23Å; P257-F260 WeakPolarHBondContact O-CD2 3.42Å; P257-F260 PolarHBondContact O-N 3.22Å; P257-F260 VanDerWaalsContact O-N 3.17Å; V258-F260 PolarHBondContact O-N 2.78Å; F260-L264 PolarHBondContact O-N 2.71Å; F260-F285 AromaticContact CD1-CE1 3.66Å; F260-F285 HydrophobicContact CD1-CE1 3.66Å; F260-F285 AromaticContact CD1-CZ 3.79Å; F260-F285 HydrophobicContact CD1-CZ 3.79Å; F260-F285 HydrophobicContact CE1-CD1 4.42Å; F260-F285 AromaticContact CE1-CE1 3.67Å; F260-F285 HydrophobicContact CE1-CE1 3.67Å; F260-F285 AromaticContact CE1-CZ 3.86Å; F260-F285 HydrophobicContact CE1-CZ 3.86Å; F260-F285 HydrophobicContact CG-CE1 4.14Å; F260-F285 HydrophobicContact CZ-CE1 4.18Å; F260-L288 HydrophobicContact CE2-CD2 3.96Å
261E98.6Very high98.4Very high47 Ų4748.3 Ų48.322%0.2228%0.281CS..Hα-helixtrans-65.5-48.9171.7-173.8-166.8121.900110.9P249 E250 C253 V258 E259 Y263 L264 H265P249-E261 HydrophobicContact CB-CG 3.96Å; E250-E261 HydrophobicContact CG-CG 4.37Å; C253-E261 HydrophobicContact CB-CB 3.88Å; C253-E261 PolarHBondContact SG-N 3.35Å; C253-E261 VanDerWaalsContact SG-N 3.44Å; V258-E261 HydrophobicContact CG2-CB 4.46Å; V258-E261 VanDerWaalsContact O-CB 3.29Å; V258-E261 WeakPolarHBondContact O-CB 3.43Å; V258-E261 PolarHBondContact O-N 2.94Å; V258-E261 VanDerWaalsContact O-N 3.09Å; E259-E261 VanDerWaalsContact C-N 3.34Å; E261-Y263 VanDerWaalsContact C-N 3.28Å; E261-Y263 PolarHBondContact O-N 2.94Å; E261-L264 PolarHBondContact O-N 3.09Å; E261-L264 VanDerWaalsContact O-N 3.09Å; E261-H265 PolarHBondContact O-CD2 3.35Å; E261-H265 PolarHBondContact O-N 3.26Å; E261-H265 IonicContact OE1-CD2 3.78Å; E261-H265 IonicContact OE1-NE2 3.98Å
262K98.6Very high98.4Very high98 Ų9846.6 Ų46.643%0.42626%0.264SS..Hα-helixtrans-56.3-41.6175.7-68.2172.4-173.6164.60111.8V258 E259 F266V258-K262 WeakPolarHBondContact O-CG 3.49Å; V258-K262 PolarHBondContact O-N 2.73Å; E259-K262 PolarHBondContact O-N 2.74Å; E259-K262 IonicContact OE1-NZ 3.01Å; E259-K262 PolarHBondContact OE1-NZ 2.94Å; K262-F266 WeakPolarHBondContact O-CB 3.5Å; K262-F266 PolarHBondContact O-N 2.74Å
263Y98.8Very high98.3Very high1 Ų151.4 Ų51.40%0.00429%0.289CS..Hα-helixtrans-57.5-49.7174.7-179.3-78.6000111.6L125 I208 L211 F215 E259 E261 F266 A267 L281 I284 F285L125-Y263 HydrophobicContact CD1-CE2 4.28Å; L125-Y263 HydrophobicContact CD2-CE2 4.08Å; I208-Y263 HydrophobicContact CG2-CE1 4.22Å; I208-Y263 WeakPolarHBondContact CG2-OH 3.46Å; I208-Y263 VanDerWaalsContact O-CE1 3.32Å; I208-Y263 WeakPolarHBondContact O-CE1 3.28Å; I208-Y263 PolarHBondContact O-OH 2.71Å; L211-Y263 VanDerWaalsContact CB-OH 3.3Å; L211-Y263 WeakPolarHBondContact CB-OH 3.28Å; F215-Y263 HydrophobicContact CD2-CE1 4.47Å; F215-Y263 HydrophobicContact CE2-CE1 4.32Å; F215-Y263 AromaticContact CE2-CE2 3.9Å; F215-Y263 HydrophobicContact CE2-CE2 3.9Å; F215-Y263 AromaticContact CE2-CZ 3.79Å; E259-Y263 WeakPolarHBondContact O-CB 3.42Å; E259-Y263 PolarHBondContact O-N 2.81Å; E261-Y263 VanDerWaalsContact C-N 3.28Å; E261-Y263 PolarHBondContact O-N 2.94Å; Y263-F266 WeakPolarHBondContact O-CB 3.26Å; Y263-F266 PolarHBondContact O-N 3.48Å; Y263-A267 HydrophobicContact CE1-CB 4.37Å; Y263-A267 WeakPolarHBondContact O-CB 3.39Å; Y263-A267 PolarHBondContact O-N 3.43Å; Y263-L281 HydrophobicContact CD2-CD2 3.65Å; Y263-L281 HydrophobicContact CE2-CB 4.31Å; Y263-L281 HydrophobicContact CE2-CD1 4.29Å; Y263-L281 HydrophobicContact CE2-CD2 3.76Å; Y263-L281 HydrophobicContact CE2-CG 4.35Å; Y263-L281 HydrophobicContact CG-CD2 4.34Å; Y263-I284 HydrophobicContact CD2-CD1 4.16Å; Y263-I284 HydrophobicContact CG-CD1 4.49Å; Y263-F285 AromaticContact CD2-CE2 3.52Å; Y263-F285 HydrophobicContact CD2-CE2 3.52Å; Y263-F285 AromaticContact CD2-CZ 3.55Å; Y263-F285 HydrophobicContact CD2-CZ 3.55Å; Y263-F285 AromaticContact CE2-CE2 3.92Å; Y263-F285 HydrophobicContact CE2-CE2 3.92Å; Y263-F285 HydrophobicContact CE2-CZ 4.33Å; Y263-F285 HydrophobicContact CG-CE2 4.27Å; Y263-F285 AromaticContact CG-CZ 3.85Å; Y263-F285 HydrophobicContact CG-CZ 3.85Å
264L98.7Very high98.3Very high1 Ų152.7 Ų52.71%0.00530%0.298CS..Hα-helixtrans-68.7-37.8-177.2-76.1170.4000112.4Y213 M216 P249 L252 F260 E261 A267 R268Y213-L264 HydrophobicContact CD1-CD2 4.24Å; Y213-L264 HydrophobicContact CE1-CD2 4.19Å; M216-L264 HydrophobicContact CG-CD1 4.21Å; P249-L264 HydrophobicContact CB-CB 3.95Å; P249-L264 HydrophobicContact CB-CD1 4.48Å; P249-L264 HydrophobicContact CG-CB 4.23Å; L252-L264 HydrophobicContact CD2-CD1 3.77Å; F260-L264 PolarHBondContact O-N 2.71Å; E261-L264 PolarHBondContact O-N 3.09Å; E261-L264 VanDerWaalsContact O-N 3.09Å; L264-A267 PolarHBondContact O-N 2.58Å; L264-R268 WeakPolarHBondContact O-CB 3.42Å; L264-R268 WeakPolarHBondContact O-CG 3.48Å; L264-R268 PolarHBondContact O-N 3.43Å
265H98.6Very high98.2Very high82 Ų8250.4 Ų50.438%0.3829%0.293SS..Hα-helixtrans-60.2-46.9171.2-82.7-53.6000111.5E250 E261 A267 R268 G269E250-H265 IonicContact OE1-CE1 3.88Å; E250-H265 PolarHBondContact OE1-CE1 3.38Å; E250-H265 IonicContact OE1-NE2 3.44Å; E250-H265 PolarHBondContact OE1-NE2 2.49Å; E261-H265 PolarHBondContact O-CD2 3.35Å; E261-H265 PolarHBondContact O-N 3.26Å; E261-H265 IonicContact OE1-CD2 3.78Å; E261-H265 IonicContact OE1-NE2 3.98Å; H265-A267 PolarHBondContact O-N 2.96Å; H265-R268 PolarHBondContact O-N 2.88Å; H265-G269 PolarHBondContact O-N 2.82Å
266F98.6Very high98.3Very high56 Ų5646.6 Ų46.625%0.24625%0.254CS..Hα-helixtrans-58.1-50.6175.2-176.5-82.8000111.1K262 Y263 R268 G269 L270 D277 F280 L281K262-F266 WeakPolarHBondContact O-CB 3.5Å; K262-F266 PolarHBondContact O-N 2.74Å; Y263-F266 WeakPolarHBondContact O-CB 3.26Å; Y263-F266 PolarHBondContact O-N 3.48Å; F266-R268 PolarHBondContact O-N 2.82Å; F266-G269 PolarHBondContact O-N 2.93Å; F266-G269 VanDerWaalsContact O-N 3.15Å; F266-L270 HydrophobicContact CD1-CD1 4.3Å; F266-L270 HydrophobicContact CD1-CD2 4.46Å; F266-L270 HydrophobicContact CD1-CG 4.32Å; F266-L270 HydrophobicContact CE1-CD1 4.04Å; F266-L270 HydrophobicContact CE1-CD2 3.76Å; F266-L270 HydrophobicContact CE1-CG 4.06Å; F266-L270 HydrophobicContact CZ-CD2 4.07Å; F266-L270 PolarHBondContact O-N 3.03Å; F266-D277 HydrophobicContact CE2-CB 4.29Å; F266-D277 HydrophobicContact CZ-CB 3.74Å; F266-F280 HydrophobicContact CB-CE1 4.2Å; F266-F280 AromaticContact CD2-CD1 3.57Å; F266-F280 HydrophobicContact CD2-CD1 3.57Å; F266-F280 AromaticContact CD2-CE1 3.41Å; F266-F280 HydrophobicContact CD2-CE1 3.41Å; F266-F280 VanDerWaalsContact CD2-CE1 3.41Å; F266-F280 HydrophobicContact CD2-CZ 4.44Å; F266-F280 AromaticContact CE2-CD1 3.64Å; F266-F280 HydrophobicContact CE2-CD1 3.64Å; F266-F280 AromaticContact CE2-CE1 3.96Å; F266-F280 HydrophobicContact CE2-CE1 3.96Å; F266-F280 HydrophobicContact CE2-CG 4.5Å; F266-F280 HydrophobicContact CG-CD1 4.15Å; F266-F280 AromaticContact CG-CE1 3.92Å; F266-F280 HydrophobicContact CG-CE1 3.92Å; F266-F280 HydrophobicContact CZ-CD1 4.27Å; F266-L281 HydrophobicContact CB-CD2 4.22Å; F266-L281 HydrophobicContact CD1-CD1 4.16Å; F266-L281 HydrophobicContact CD1-CD2 3.45Å; F266-L281 VanDerWaalsContact CD1-CD2 3.45Å; F266-L281 HydrophobicContact CD1-CG 3.96Å; F266-L281 HydrophobicContact CE1-CD1 3.98Å; F266-L281 HydrophobicContact CE1-CD2 3.96Å; F266-L281 HydrophobicContact CE1-CG 3.93Å; F266-L281 HydrophobicContact CG-CD2 3.89Å
267A98.5Very high98.3Very high2 Ų247.2 Ų47.22%0.01726%0.262CS..Hα-helixtrans-57.8-45.5-178.500000112.5I208 E209 Y263 L264 H265 G269 L270I208-A267 HydrophobicContact CB-CB 4.47Å; I208-A267 HydrophobicContact CG2-CB 3.7Å; E209-A267 HydrophobicContact CB-CB 4.22Å; Y263-A267 HydrophobicContact CE1-CB 4.37Å; Y263-A267 WeakPolarHBondContact O-CB 3.39Å; Y263-A267 PolarHBondContact O-N 3.43Å; L264-A267 PolarHBondContact O-N 2.58Å; H265-A267 PolarHBondContact O-N 2.96Å; A267-G269 VanDerWaalsContact C-N 3.32Å; A267-L270 PolarHBondContact O-N 3.25Å
268R97.6Very high98.3Very high72 Ų7245.9 Ų45.927%0.27225%0.253SS..Hα-helixtrans-71.7-25.1179.1-71.2178.8176.4-174.20.5113E209 Y213 T247 L264 H265 F266E209-R268 HydrophobicContact CG-CG 4.34Å; Y213-R268 PolarHBondContact OH-NH2 2.81Å; T247-R268 PolarHBondContact O-NH1 3.26Å; L264-R268 WeakPolarHBondContact O-CB 3.42Å; L264-R268 WeakPolarHBondContact O-CG 3.48Å; L264-R268 PolarHBondContact O-N 3.43Å; H265-R268 PolarHBondContact O-N 2.88Å; F266-R268 PolarHBondContact O-N 2.82Å
269G97.9Very high98.3Very high66 Ų6647.4 Ų47.468%0.6826%0.262SS*.Hα-helixtrans-80.3-9.2177.200000115H265 F266 A267 A271H265-G269 PolarHBondContact O-N 2.82Å; F266-G269 PolarHBondContact O-N 2.93Å; F266-G269 VanDerWaalsContact O-N 3.15Å; A267-G269 VanDerWaalsContact C-N 3.32Å; G269-A271 PolarHBondContact O-N 2.9Å
270L98.5Very high98.2Very high19 Ų1949.2 Ų49.210%0.09927%0.269CS..  trans-68.6127.1-179.1-72.6168.6000112.2R205 I208 F266 A267 S274 P276R205-L270 HydrophobicContact CB-CB 3.58Å; R205-L270 HydrophobicContact CB-CD1 4Å; R205-L270 HydrophobicContact CB-CG 4.46Å; R205-L270 WeakPolarHBondContact CD-O 3.44Å; R205-L270 PolarHBondContact NH1-O 2.9Å; I208-L270 HydrophobicContact CB-CD1 4.33Å; I208-L270 HydrophobicContact CG1-CD1 4.37Å; I208-L270 HydrophobicContact CG2-CD1 4.29Å; F266-L270 HydrophobicContact CD1-CD1 4.3Å; F266-L270 HydrophobicContact CD1-CD2 4.46Å; F266-L270 HydrophobicContact CD1-CG 4.32Å; F266-L270 HydrophobicContact CE1-CD1 4.04Å; F266-L270 HydrophobicContact CE1-CD2 3.76Å; F266-L270 HydrophobicContact CE1-CG 4.06Å; F266-L270 HydrophobicContact CZ-CD2 4.07Å; F266-L270 PolarHBondContact O-N 3.03Å; A267-L270 PolarHBondContact O-N 3.25Å; L270-S274 WeakPolarHBondContact CD2-OG 3.21Å; L270-P276 HydrophobicContact CD1-CB 4.06Å; L270-P276 HydrophobicContact CD1-CG 4.04Å; L270-P276 HydrophobicContact CD2-CB 4.49Å
271A98.3Very high98.2Very high52 Ų5249.1 Ų49.143%0.4327%0.269SS..  trans-65.6156.6169.600000111.3G269 D273 S274G269-A271 PolarHBondContact O-N 2.9Å; A271-D273 VanDerWaalsContact C-N 3.29Å; A271-D273 PolarHBondContact O-N 2.76Å; A271-S274 PolarHBondContact N-OG 2.66Å; A271-S274 WeakPolarHBondContact O-CB 3.48Å; A271-S274 PolarHBondContact O-N 3.01Å; A271-S274 PolarHBondContact O-OG 2.91Å
272F98.3Very high98.2Very high20 Ų2047.2 Ų47.29%0.08826%0.26CS..THydrogen-bonded Turntrans-56.3-38.9-173.1172.6-113.3000114.1H176 I177 Y179 E201 S203H176-F272 AromaticContact CE1-CD1 3.92Å; H176-F272 AromaticContact CE1-CE1 3.54Å; H176-F272 AromaticContact CE1-CZ 3.7Å; H176-F272 PolarHBondContact CE1-O 3.47Å; H176-F272 AromaticContact ND1-CE1 3.61Å; H176-F272 PolarHBondContact NE2-O 3.18Å; I177-F272 HydrophobicContact CD1-CZ 4.39Å; I177-F272 HydrophobicContact CG1-CZ 4.08Å; I177-F272 WeakPolarHBondContact O-CE1 3.4Å; Y179-F272 VanDerWaalsContact CA-CE1 3.45Å; Y179-F272 HydrophobicContact CD2-CB 4.03Å; Y179-F272 AromaticContact CD2-CD1 3.92Å; Y179-F272 HydrophobicContact CD2-CD1 3.92Å; Y179-F272 HydrophobicContact CD2-CD2 4.16Å; Y179-F272 HydrophobicContact CD2-CE1 4.41Å; Y179-F272 AromaticContact CD2-CG 3.76Å; Y179-F272 HydrophobicContact CD2-CG 3.76Å; Y179-F272 HydrophobicContact CG-CD1 4.43Å; E201-F272 HydrophobicContact CB-CE2 4.04Å; E201-F272 HydrophobicContact CB-CZ 4.13Å; E201-F272 HydrophobicContact CG-CE2 4.16Å; E201-F272 HydrophobicContact CG-CZ 3.99Å; E201-F272 WeakPolarHBondContact O-CE2 3.47Å; S203-F272 WeakPolarHBondContact CB-O 3.39Å; S203-F272 PolarHBondContact OG-O 2.78Å
273D97.5Very high98.2Very high102 Ų10243.1 Ų43.155%0.54525%0.245SC..THydrogen-bonded Turntrans-102.62-177.261.6-15.8000113.6H176 R204 A271H176-D273 HydrophobicContact CB-CB 4.19Å; R204-D273 PolarHBondContact NH2-O 3.49Å; A271-D273 VanDerWaalsContact C-N 3.29Å; A271-D273 PolarHBondContact O-N 2.76Å
274S96.9Very high98.2Very high30 Ų3043.3 Ų43.321%0.2125%0.246CC..PPolyproline II helixtrans-65.4147.7-17965.70000112.8R204 L270 A271 P276R204-S274 PolarHBondContact NE-O 3.36Å; R204-S274 VanDerWaalsContact NH2-C 3.34Å; R204-S274 PolarHBondContact NH2-O 3.26Å; L270-S274 WeakPolarHBondContact CD2-OG 3.21Å; A271-S274 PolarHBondContact N-OG 2.66Å; A271-S274 WeakPolarHBondContact O-CB 3.48Å; A271-S274 PolarHBondContact O-N 3.01Å; A271-S274 PolarHBondContact O-OG 2.91Å; S274-P276 WeakPolarHBondContact O-CD 3.47Å
275L97.4Very high98.2Very high121 Ų12143.4 Ų43.463%0.63425%0.247SC*.PPolyproline II helixtrans-83.2117.7165.1175.666.2000107.9R204 Y278R204-L275 VanDerWaalsContact NH1-CD1 3.31Å; L275-Y278 HydrophobicContact CD1-CE2 4Å
276P98.3Very high98.2Very high1 Ų144.2 Ų44.21%0.00625%0.246CC..PPolyproline II helixtrans-60.1139172.9-21.632.4000111R204 I208 L270 S274 Y278R204-P276 HydrophobicContact CB-CG 3.93Å; I208-P276 HydrophobicContact CD1-CB 4.41Å; I208-P276 HydrophobicContact CG1-CB 4.04Å; I208-P276 HydrophobicContact CG1-CG 3.9Å; L270-P276 HydrophobicContact CD1-CB 4.06Å; L270-P276 HydrophobicContact CD1-CG 4.04Å; L270-P276 HydrophobicContact CD2-CB 4.49Å; S274-P276 WeakPolarHBondContact O-CD 3.47Å; P276-Y278 VanDerWaalsContact C-N 3.35Å; P276-Y278 HydrophobicContact CB-CE1 4.13Å; P276-Y278 HydrophobicContact CB-CE2 4.08Å; P276-Y278 WeakPolarHBondContact CD-OH 3.28Å; P276-Y278 HydrophobicContact CG-CE1 4.42Å; P276-Y278 HydrophobicContact CG-CE2 4.4Å; P276-Y278 WeakPolarHBondContact O-CD2 3.42Å; P276-Y278 WeakPolarHBondContact O-CE2 3.24Å; P276-Y278 PolarHBondContact O-N 2.88Å
277D98.4Very high98.2Very high81 Ų8148.3 Ų48.343%0.43326%0.26SS..  trans-79.983.7171.6-172.2-15.8000109.7F266 V279 F280 L281F266-D277 HydrophobicContact CE2-CB 4.29Å; F266-D277 HydrophobicContact CZ-CB 3.74Å; D277-V279 PolarHBondContact O-N 2.75Å; D277-V279 PolarHBondContact OD1-N 3.35Å; D277-F280 HydrophobicContact CB-CB 3.91Å; D277-F280 PolarHBondContact O-N 2.96Å; D277-F280 PolarHBondContact OD1-N 2.91Å; D277-F280 WeakPolarHBondContact OD2-CB 3.33Å; D277-L281 WeakPolarHBondContact O-CG 3.46Å; D277-L281 PolarHBondContact O-N 3.48Å
278Y98.4Very high98.2Very high9 Ų948.6 Ų48.64%0.03526%0.261CS..Hα-helixtrans-63.9-28.3180-54-88.5000112.6E129 H132 I208 L275 P276 L281 R282E129-Y278 HydrophobicContact CB-CD1 3.68Å; E129-Y278 HydrophobicContact CB-CD2 4.21Å; E129-Y278 HydrophobicContact CB-CE1 3.88Å; E129-Y278 HydrophobicContact CB-CE2 4.42Å; E129-Y278 HydrophobicContact CB-CG 3.86Å; E129-Y278 HydrophobicContact CG-CD1 4.11Å; E129-Y278 HydrophobicContact CG-CD2 3.69Å; E129-Y278 HydrophobicContact CG-CE1 4.34Å; E129-Y278 HydrophobicContact CG-CE2 3.98Å; E129-Y278 HydrophobicContact CG-CG 3.78Å; E129-Y278 WeakPolarHBondContact OE1-CD2 3.22Å; H132-Y278 WeakPolarHBondContact CB-OH 3.44Å; H132-Y278 AromaticContact ND1-CE1 3.93Å; H132-Y278 AromaticContact ND1-CZ 3.69Å; H132-Y278 PolarHBondContact ND1-OH 3.49Å; I208-Y278 HydrophobicContact CD1-CD1 4.33Å; I208-Y278 HydrophobicContact CD1-CE1 3.83Å; L275-Y278 HydrophobicContact CD1-CE2 4Å; P276-Y278 VanDerWaalsContact C-N 3.35Å; P276-Y278 HydrophobicContact CB-CE1 4.13Å; P276-Y278 HydrophobicContact CB-CE2 4.08Å; P276-Y278 WeakPolarHBondContact CD-OH 3.28Å; P276-Y278 HydrophobicContact CG-CE1 4.42Å; P276-Y278 HydrophobicContact CG-CE2 4.4Å; P276-Y278 WeakPolarHBondContact O-CD2 3.42Å; P276-Y278 WeakPolarHBondContact O-CE2 3.24Å; P276-Y278 PolarHBondContact O-N 2.88Å; Y278-L281 PolarHBondContact O-N 3.46Å; Y278-R282 WeakPolarHBondContact O-CB 3.28Å; Y278-R282 WeakPolarHBondContact O-CG 3.13Å; Y278-R282 PolarHBondContact O-N 3.24Å
279V98.1Very high98.2Very high96 Ų9646.3 Ų46.358%0.58225%0.253SS*.Hα-helixtrans-67.8-44.9177.9178.20000109.5D277 G283D277-V279 PolarHBondContact O-N 2.75Å; D277-V279 PolarHBondContact OD1-N 3.35Å; V279-G283 WeakPolarHBondContact O-CA 3.29Å; V279-G283 PolarHBondContact O-N 3.21Å
280F98.3Very high98.2Very high75 Ų7549.5 Ų49.533%0.32925%0.25SS..Hα-helixtrans-60.5-49.8172170.6-100000112F266 D277 R282 G283 I284F266-F280 HydrophobicContact CB-CE1 4.2Å; F266-F280 AromaticContact CD2-CD1 3.57Å; F266-F280 HydrophobicContact CD2-CD1 3.57Å; F266-F280 AromaticContact CD2-CE1 3.41Å; F266-F280 HydrophobicContact CD2-CE1 3.41Å; F266-F280 VanDerWaalsContact CD2-CE1 3.41Å; F266-F280 HydrophobicContact CD2-CZ 4.44Å; F266-F280 AromaticContact CE2-CD1 3.64Å; F266-F280 HydrophobicContact CE2-CD1 3.64Å; F266-F280 AromaticContact CE2-CE1 3.96Å; F266-F280 HydrophobicContact CE2-CE1 3.96Å; F266-F280 HydrophobicContact CE2-CG 4.5Å; F266-F280 HydrophobicContact CG-CD1 4.15Å; F266-F280 AromaticContact CG-CE1 3.92Å; F266-F280 HydrophobicContact CG-CE1 3.92Å; F266-F280 HydrophobicContact CZ-CD1 4.27Å; D277-F280 HydrophobicContact CB-CB 3.91Å; D277-F280 PolarHBondContact O-N 2.96Å; D277-F280 PolarHBondContact OD1-N 2.91Å; D277-F280 WeakPolarHBondContact OD2-CB 3.33Å; F280-R282 PolarHBondContact O-N 2.89Å; F280-G283 CarbonylContact O-C 3.6Å; F280-G283 WeakPolarHBondContact O-CA 3.36Å; F280-G283 PolarHBondContact O-N 3.13Å; F280-I284 HydrophobicContact CD2-CG2 4.3Å; F280-I284 HydrophobicContact CE1-CG2 4.18Å; F280-I284 HydrophobicContact CE2-CG2 3.78Å; F280-I284 HydrophobicContact CZ-CG2 3.7Å; F280-I284 PolarHBondContact O-N 3.44Å
281L98.6Very high98.2Very high0 Ų052.4 Ų52.40%027%0.273CS..Hα-helixtrans-60.3-41.3-178.4-72.1177.6000112.8L125 I208 Y263 F266 D277 Y278 I284L125-L281 HydrophobicContact CD1-CB 4.2Å; L125-L281 HydrophobicContact CD2-CB 4.32Å; L125-L281 HydrophobicContact CD2-CD1 4.23Å; I208-L281 HydrophobicContact CD1-CD1 4.22Å; I208-L281 HydrophobicContact CG2-CD1 3.75Å; Y263-L281 HydrophobicContact CD2-CD2 3.65Å; Y263-L281 HydrophobicContact CE2-CB 4.31Å; Y263-L281 HydrophobicContact CE2-CD1 4.29Å; Y263-L281 HydrophobicContact CE2-CD2 3.76Å; Y263-L281 HydrophobicContact CE2-CG 4.35Å; Y263-L281 HydrophobicContact CG-CD2 4.34Å; F266-L281 HydrophobicContact CB-CD2 4.22Å; F266-L281 HydrophobicContact CD1-CD1 4.16Å; F266-L281 HydrophobicContact CD1-CD2 3.45Å; F266-L281 VanDerWaalsContact CD1-CD2 3.45Å; F266-L281 HydrophobicContact CD1-CG 3.96Å; F266-L281 HydrophobicContact CE1-CD1 3.98Å; F266-L281 HydrophobicContact CE1-CD2 3.96Å; F266-L281 HydrophobicContact CE1-CG 3.93Å; F266-L281 HydrophobicContact CG-CD2 3.89Å; D277-L281 WeakPolarHBondContact O-CG 3.46Å; D277-L281 PolarHBondContact O-N 3.48Å; Y278-L281 PolarHBondContact O-N 3.46Å; L281-I284 WeakPolarHBondContact O-CG1 3.41Å
282R98.6Very high98.1Very high8 Ų853.2 Ų53.23%0.0327%0.269CS..Hα-helixtrans-70.4-40.2171-72.8-172.6-68-92.22.4111.5E122 L125 E129 Y278 F280 I284 F285 R286E122-R282 WeakPolarHBondContact OE1-CD 3.42Å; L125-R282 HydrophobicContact CB-CG 3.99Å; L125-R282 HydrophobicContact CD1-CG 3.85Å; E129-R282 IonicContact OE1-NH2 3.35Å; E129-R282 IonicContact OE2-CZ 2.65Å; E129-R282 IonicContact OE2-NH1 3.6Å; E129-R282 PolarHBondContact OE2-NH1 3.03Å; E129-R282 IonicContact OE2-NH2 2.83Å; E129-R282 PolarHBondContact OE2-NH2 3.41Å; Y278-R282 WeakPolarHBondContact O-CB 3.28Å; Y278-R282 WeakPolarHBondContact O-CG 3.13Å; Y278-R282 PolarHBondContact O-N 3.24Å; F280-R282 PolarHBondContact O-N 2.89Å; R282-I284 VanDerWaalsContact C-N 3.32Å; R282-I284 PolarHBondContact O-N 2.92Å; R282-F285 PolarHBondContact O-N 3.36Å; R282-F285 VanDerWaalsContact O-N 3.13Å; R282-R286 WeakPolarHBondContact O-CG 3.34Å; R282-R286 PolarHBondContact O-N 2.96Å
283G98.3Very high98.1Very high12 Ų1259 Ų5912%0.12430%0.301CS..Hα-helixtrans-58.3-38.9-178.800000113.6V279 F280 R287V279-G283 WeakPolarHBondContact O-CA 3.29Å; V279-G283 PolarHBondContact O-N 3.21Å; F280-G283 CarbonylContact O-C 3.6Å; F280-G283 WeakPolarHBondContact O-CA 3.36Å; F280-G283 PolarHBondContact O-N 3.13Å; G283-R287 WeakPolarHBondContact O-CG 3.24Å; G283-R287 PolarHBondContact O-N 3.45Å
284I98.2Very high98.1Very high5 Ų557.2 Ų57.23%0.02629%0.289CS..Hα-helixtrans-62.6-43.4175.256.4167.1000111.7E259 Y263 F280 L281 R282 L288E259-I284 HydrophobicContact CG-CB 4.47Å; Y263-I284 HydrophobicContact CD2-CD1 4.16Å; Y263-I284 HydrophobicContact CG-CD1 4.49Å; F280-I284 HydrophobicContact CD2-CG2 4.3Å; F280-I284 HydrophobicContact CE1-CG2 4.18Å; F280-I284 HydrophobicContact CE2-CG2 3.78Å; F280-I284 HydrophobicContact CZ-CG2 3.7Å; F280-I284 PolarHBondContact O-N 3.44Å; L281-I284 WeakPolarHBondContact O-CG1 3.41Å; R282-I284 VanDerWaalsContact C-N 3.32Å; R282-I284 PolarHBondContact O-N 2.92Å; I284-L288 PolarHBondContact O-N 2.95Å
285F98.6Very high98Very high3 Ų360.4 Ų60.41%0.01331%0.307CS..Hα-helixtrans-75.5-35.2-179.8-69.6-30000113L118 A121 L125 F215 E259 F260 Y263 R282 L288 F289L118-F285 HydrophobicContact CD2-CB 3.68Å; L118-F285 HydrophobicContact CD2-CD1 3.58Å; L118-F285 HydrophobicContact CD2-CE1 4.39Å; L118-F285 HydrophobicContact CD2-CG 3.74Å; A121-F285 HydrophobicContact CB-CD2 3.73Å; A121-F285 HydrophobicContact CB-CE2 3.91Å; L125-F285 HydrophobicContact CD1-CD2 4.22Å; L125-F285 HydrophobicContact CD1-CE2 4.42Å; F215-F285 AromaticContact CD2-CE2 3.87Å; F215-F285 HydrophobicContact CD2-CE2 3.87Å; F215-F285 HydrophobicContact CD2-CZ 4.02Å; F215-F285 AromaticContact CE2-CE2 3.75Å; F215-F285 HydrophobicContact CE2-CE2 3.75Å; F215-F285 HydrophobicContact CE2-CZ 4.33Å; E259-F285 HydrophobicContact CB-CD1 4.29Å; E259-F285 HydrophobicContact CB-CE1 4.36Å; F260-F285 AromaticContact CD1-CE1 3.66Å; F260-F285 HydrophobicContact CD1-CE1 3.66Å; F260-F285 AromaticContact CD1-CZ 3.79Å; F260-F285 HydrophobicContact CD1-CZ 3.79Å; F260-F285 HydrophobicContact CE1-CD1 4.42Å; F260-F285 AromaticContact CE1-CE1 3.67Å; F260-F285 HydrophobicContact CE1-CE1 3.67Å; F260-F285 AromaticContact CE1-CZ 3.86Å; F260-F285 HydrophobicContact CE1-CZ 3.86Å; F260-F285 HydrophobicContact CG-CE1 4.14Å; F260-F285 HydrophobicContact CZ-CE1 4.18Å; Y263-F285 AromaticContact CD2-CE2 3.52Å; Y263-F285 HydrophobicContact CD2-CE2 3.52Å; Y263-F285 AromaticContact CD2-CZ 3.55Å; Y263-F285 HydrophobicContact CD2-CZ 3.55Å; Y263-F285 AromaticContact CE2-CE2 3.92Å; Y263-F285 HydrophobicContact CE2-CE2 3.92Å; Y263-F285 HydrophobicContact CE2-CZ 4.33Å; Y263-F285 HydrophobicContact CG-CE2 4.27Å; Y263-F285 AromaticContact CG-CZ 3.85Å; Y263-F285 HydrophobicContact CG-CZ 3.85Å; R282-F285 PolarHBondContact O-N 3.36Å; R282-F285 VanDerWaalsContact O-N 3.13Å; F285-L288 PolarHBondContact O-N 2.77Å; F285-F289 WeakPolarHBondContact O-CB 3.31Å; F285-F289 PolarHBondContact O-N 3.1Å
286R98.4Very high97.8Very high98 Ų9859.1 Ų59.137%0.3730%0.3SS..Hα-helixtrans-63.1-43.5173.4-71175.4-171.4174.7-5.9112.1E122 R282 L288 F289 Q290E122-R286 IonicContact OE1-CZ 2.84Å; E122-R286 IonicContact OE1-NE 2.72Å; E122-R286 PolarHBondContact OE1-NE 3.23Å; E122-R286 IonicContact OE1-NH2 2.79Å; E122-R286 PolarHBondContact OE1-NH2 2.87Å; E122-R286 IonicContact OE2-CZ 3.17Å; E122-R286 IonicContact OE2-NE 2.74Å; E122-R286 PolarHBondContact OE2-NE 3.46Å; E122-R286 IonicContact OE2-NH2 3.1Å; R282-R286 WeakPolarHBondContact O-CG 3.34Å; R282-R286 PolarHBondContact O-N 2.96Å; R286-L288 VanDerWaalsContact C-N 3.34Å; R286-L288 PolarHBondContact O-N 3.44Å; R286-F289 WeakPolarHBondContact O-CB 3.3Å; R286-F289 PolarHBondContact O-N 2.99Å; R286-Q290 WeakPolarHBondContact O-CG 3.5Å; R286-Q290 PolarHBondContact O-N 2.74Å
287R98.5Very high97.5Very high143 Ų14361.7 Ų61.754%0.5431%0.314SS..Hα-helixtrans-63-40.7175.4-75.5-171.5-62.9-90.60.6112G283 Q290 S291G283-R287 WeakPolarHBondContact O-CG 3.24Å; G283-R287 PolarHBondContact O-N 3.45Å; R287-Q290 PolarHBondContact O-N 3.5Å; R287-S291 WeakPolarHBondContact O-CB 3.46Å; R287-S291 PolarHBondContact O-N 2.91Å; R287-S291 PolarHBondContact O-OG 3.48Å
288L98.5Very high97.3Very high8 Ų859.7 Ų59.74%0.04230%0.3CS..Hα-helixtrans-64.7-42.4174.3176.460.4000112.2L118 P257 E259 F260 I284 F285 R286 Q290 S291 L292L118-L288 HydrophobicContact CD1-CD2 4.01Å; L118-L288 HydrophobicContact CD1-CG 3.94Å; L118-L288 HydrophobicContact CD2-CD2 3.94Å; P257-L288 HydrophobicContact CB-CD1 3.83Å; P257-L288 HydrophobicContact CB-CD2 3.47Å; P257-L288 VanDerWaalsContact CB-CD2 3.47Å; P257-L288 HydrophobicContact CB-CG 4.31Å; P257-L288 HydrophobicContact CG-CD1 4.22Å; P257-L288 HydrophobicContact CG-CD2 3.96Å; E259-L288 HydrophobicContact CB-CB 4.47Å; E259-L288 HydrophobicContact CB-CD2 3.96Å; E259-L288 HydrophobicContact CG-CB 4.02Å; E259-L288 HydrophobicContact CG-CD2 4.26Å; F260-L288 HydrophobicContact CE2-CD2 3.96Å; I284-L288 PolarHBondContact O-N 2.95Å; F285-L288 PolarHBondContact O-N 2.77Å; R286-L288 VanDerWaalsContact C-N 3.34Å; R286-L288 PolarHBondContact O-N 3.44Å; L288-Q290 VanDerWaalsContact C-N 3.26Å; L288-Q290 PolarHBondContact O-N 3.15Å; L288-S291 WeakPolarHBondContact CA-OG 3.33Å; L288-S291 PolarHBondContact O-N 3.12Å; L288-S291 PolarHBondContact O-OG 3.21Å; L288-S291 VanDerWaalsContact O-OG 3.05Å; L288-L292 HydrophobicContact CD1-CD1 3.71Å; L288-L292 HydrophobicContact CD1-CG 3.87Å; L288-L292 HydrophobicContact CG-CD1 3.97Å; L288-L292 HydrophobicContact CG-CG 4.47Å; L288-L292 WeakPolarHBondContact O-CB 3.36Å; L288-L292 WeakPolarHBondContact O-CG 2.98Å; L288-L292 PolarHBondContact O-N 2.85Å
289F98.4Very high97Very high23 Ų2360.1 Ų60.110%0.10130%0.304CS..Hα-helixtrans-57.8-42.7177-169.4-87000111.3K115 L118 T119 F285 R286 F294 L296K115-F289 HydrophobicContact CG-CE2 4.04Å; K115-F289 HydrophobicContact CG-CZ 4.44Å; L118-F289 HydrophobicContact CB-CD2 3.81Å; L118-F289 HydrophobicContact CD1-CB 4.3Å; L118-F289 HydrophobicContact CD1-CD2 4.26Å; T119-F289 WeakPolarHBondContact OG1-CE2 3.49Å; F285-F289 WeakPolarHBondContact O-CB 3.31Å; F285-F289 PolarHBondContact O-N 3.1Å; R286-F289 WeakPolarHBondContact O-CB 3.3Å; R286-F289 PolarHBondContact O-N 2.99Å; F289-F294 HydrophobicContact CD1-CB 3.81Å; F289-F294 HydrophobicContact CD2-CB 3.92Å; F289-F294 AromaticContact CD2-CD2 3.85Å; F289-F294 HydrophobicContact CD2-CD2 3.85Å; F289-F294 HydrophobicContact CD2-CG 4.4Å; F289-F294 VanDerWaalsContact CE1-C 3.46Å; F289-F294 HydrophobicContact CE1-CB 3.53Å; F289-F294 WeakPolarHBondContact CE1-O 3.49Å; F289-F294 HydrophobicContact CE2-CB 3.64Å; F289-F294 HydrophobicContact CE2-CD2 4.07Å; F289-F294 HydrophobicContact CE2-CG 4.31Å; F289-F294 HydrophobicContact CG-CB 4Å; F289-F294 HydrophobicContact CG-CD2 4.32Å; F289-F294 HydrophobicContact CZ-CB 3.44Å; F289-F294 VanDerWaalsContact CZ-CB 3.44Å; F289-F294 PolarHBondContact O-N 3.46Å; F289-F294 VanDerWaalsContact O-N 3.1Å; F289-L296 HydrophobicContact CE1-CB 4.07Å; F289-L296 HydrophobicContact CZ-CB 4.21Å; F289-L296 HydrophobicContact CZ-CD1 4.25Å
290Q97.7Very high96.9Very high133 Ų13355.7 Ų55.762%0.62128%0.277SS*.Hα-helixtrans-69.1-43.5175.8-69.6169.7-13.300112.6R286 R287 L288 L292 N293R286-Q290 WeakPolarHBondContact O-CG 3.5Å; R286-Q290 PolarHBondContact O-N 2.74Å; R287-Q290 PolarHBondContact O-N 3.5Å; L288-Q290 VanDerWaalsContact C-N 3.26Å; L288-Q290 PolarHBondContact O-N 3.15Å; Q290-L292 PolarHBondContact O-N 2.92Å; Q290-N293 WeakPolarHBondContact O-CA 3.41Å; Q290-N293 PolarHBondContact O-N 3.42Å
291S98.1Very high96.8Very high81 Ų8153.4 Ų53.457%0.56627%0.268SS*.Hα-helixtrans-66.9-26-179.170.80000113.2R287 L288R287-S291 WeakPolarHBondContact O-CB 3.46Å; R287-S291 PolarHBondContact O-N 2.91Å; R287-S291 PolarHBondContact O-OG 3.48Å; L288-S291 WeakPolarHBondContact CA-OG 3.33Å; L288-S291 PolarHBondContact O-N 3.12Å; L288-S291 PolarHBondContact O-OG 3.21Å; L288-S291 VanDerWaalsContact O-OG 3.05Å
292L97.7Very high96.6Very high69 Ų6953.8 Ų53.836%0.36127%0.269SS..THydrogen-bonded Turntrans-83.74.2171.7-64.4175.6000113.3L118 L288 Q290 F294L118-L292 HydrophobicContact CD1-CD1 4.39Å; L288-L292 HydrophobicContact CD1-CD1 3.71Å; L288-L292 HydrophobicContact CD1-CG 3.87Å; L288-L292 HydrophobicContact CG-CD1 3.97Å; L288-L292 HydrophobicContact CG-CG 4.47Å; L288-L292 WeakPolarHBondContact O-CB 3.36Å; L288-L292 WeakPolarHBondContact O-CG 2.98Å; L288-L292 PolarHBondContact O-N 2.85Å; Q290-L292 PolarHBondContact O-N 2.92Å; L292-F294 HydrophobicContact CB-CD1 4.22Å; L292-F294 HydrophobicContact CB-CD2 3.9Å; L292-F294 HydrophobicContact CB-CE1 4.03Å; L292-F294 HydrophobicContact CB-CE2 3.7Å; L292-F294 HydrophobicContact CB-CG 4.17Å; L292-F294 HydrophobicContact CB-CZ 3.76Å; L292-F294 HydrophobicContact CD1-CD2 4.26Å; L292-F294 HydrophobicContact CD1-CE2 3.45Å; L292-F294 VanDerWaalsContact CD1-CE2 3.45Å; L292-F294 HydrophobicContact CD1-CZ 3.76Å; L292-F294 HydrophobicContact CG-CE2 4.23Å; L292-F294 HydrophobicContact CG-CZ 4.36Å; L292-F294 PolarHBondContact O-N 3.44Å
293N96.9Very high96.2Very high142 Ų14253.9 Ų53.976%0.75927%0.272SS*.THydrogen-bonded Turntrans53.834.5-177.9-58.3-61.9000113.5Q290Q290-N293 WeakPolarHBondContact O-CA 3.41Å; Q290-N293 PolarHBondContact O-N 3.42Å
294F97.6Very high95.5Very high63 Ų6357.9 Ų57.928%0.27629%0.29SS..  trans-76.1144.2174.6-63.5-29.4000111A114 K115 L118 F289 L292A114-F294 HydrophobicContact CB-CE2 4.08Å; A114-F294 HydrophobicContact CB-CZ 4.24Å; K115-F294 HydrophobicContact CB-CD1 4.21Å; K115-F294 HydrophobicContact CB-CD2 3.8Å; K115-F294 HydrophobicContact CB-CE1 4.23Å; K115-F294 HydrophobicContact CB-CE2 3.82Å; K115-F294 HydrophobicContact CB-CG 4.01Å; K115-F294 HydrophobicContact CB-CZ 4.04Å; K115-F294 HydrophobicContact CG-CB 4.21Å; K115-F294 HydrophobicContact CG-CD1 4.42Å; K115-F294 HydrophobicContact CG-CD2 4.14Å; K115-F294 HydrophobicContact CG-CG 4.02Å; L118-F294 HydrophobicContact CD1-CD2 4.3Å; L118-F294 HydrophobicContact CD1-CE2 4.16Å; F289-F294 HydrophobicContact CD1-CB 3.81Å; F289-F294 HydrophobicContact CD2-CB 3.92Å; F289-F294 AromaticContact CD2-CD2 3.85Å; F289-F294 HydrophobicContact CD2-CD2 3.85Å; F289-F294 HydrophobicContact CD2-CG 4.4Å; F289-F294 VanDerWaalsContact CE1-C 3.46Å; F289-F294 HydrophobicContact CE1-CB 3.53Å; F289-F294 WeakPolarHBondContact CE1-O 3.49Å; F289-F294 HydrophobicContact CE2-CB 3.64Å; F289-F294 HydrophobicContact CE2-CD2 4.07Å; F289-F294 HydrophobicContact CE2-CG 4.31Å; F289-F294 HydrophobicContact CG-CB 4Å; F289-F294 HydrophobicContact CG-CD2 4.32Å; F289-F294 HydrophobicContact CZ-CB 3.44Å; F289-F294 VanDerWaalsContact CZ-CB 3.44Å; F289-F294 PolarHBondContact O-N 3.46Å; F289-F294 VanDerWaalsContact O-N 3.1Å; L292-F294 HydrophobicContact CB-CD1 4.22Å; L292-F294 HydrophobicContact CB-CD2 3.9Å; L292-F294 HydrophobicContact CB-CE1 4.03Å; L292-F294 HydrophobicContact CB-CE2 3.7Å; L292-F294 HydrophobicContact CB-CG 4.17Å; L292-F294 HydrophobicContact CB-CZ 3.76Å; L292-F294 HydrophobicContact CD1-CD2 4.26Å; L292-F294 HydrophobicContact CD1-CE2 3.45Å; L292-F294 VanDerWaalsContact CD1-CE2 3.45Å; L292-F294 HydrophobicContact CD1-CZ 3.76Å; L292-F294 HydrophobicContact CG-CE2 4.23Å; L292-F294 HydrophobicContact CG-CZ 4.36Å; L292-F294 PolarHBondContact O-N 3.44Å
295V94.7Very high94.6Very high98 Ų9861 Ų6159%0.59431%0.307SS*.  trans-97.8132.2173.5-1790000108.8K115 D297K115-V295 WeakPolarHBondContact CE-O 3.49Å; V295-D297 VanDerWaalsContact C-N 3.25Å; V295-D297 HydrophobicContact CG1-CB 4.24Å; V295-D297 PolarHBondContact O-N 3.41Å
296L92.8Very high92.8Very high94 Ų9462.2 Ų62.249%0.49232%0.319SS..  trans-8274.5175.1-172.665.2000109.9T119 F289 Y298T119-L296 HydrophobicContact CG2-CD1 3.91Å; F289-L296 HydrophobicContact CE1-CB 4.07Å; F289-L296 HydrophobicContact CZ-CB 4.21Å; F289-L296 HydrophobicContact CZ-CD1 4.25Å; L296-Y298 HydrophobicContact CD1-CE1 4.39Å; L296-Y298 HydrophobicContact CG-CE2 4.21Å
297D94Very high90.5Very high54 Ų5460.5 Ų60.529%0.28932%0.32SS..SBendtrans-100.3-0.8179.155.711.2000113K115 V295 V299K115-D297 VanDerWaalsContact CE-OD1 3.28Å; K115-D297 WeakPolarHBondContact CE-OD1 3.47Å; K115-D297 IonicContact NZ-OD1 4Å; K115-D297 PolarHBondContact NZ-OD1 3.11Å; K115-D297 IonicContact NZ-OD2 2.78Å; K115-D297 PolarHBondContact NZ-OD2 3.25Å; V295-D297 VanDerWaalsContact C-N 3.25Å; V295-D297 HydrophobicContact CG1-CB 4.24Å; V295-D297 PolarHBondContact O-N 3.41Å; D297-V299 HydrophobicContact CB-CG2 4.05Å; D297-V299 VanDerWaalsContact CG-CG2 3.43Å; D297-V299 PolarHBondContact O-N 2.85Å; D297-V299 WeakPolarHBondContact OD1-CB 3.42Å; D297-V299 PolarHBondContact OD1-N 2.62Å
298Y92.8Very high87.9Confident40 Ų4059.2 Ų59.216%0.15732%0.324CS..  trans56.723.2-171.8-58.8-87.5000114.2T119 N155 L296 Y300 A345T119-Y298 HydrophobicContact CG2-CD1 4.23Å; N155-Y298 HydrophobicContact CB-CD1 4.05Å; N155-Y298 HydrophobicContact CB-CG 4.05Å; L296-Y298 HydrophobicContact CD1-CE1 4.39Å; L296-Y298 HydrophobicContact CG-CE2 4.21Å; Y298-Y300 WeakPolarHBondContact O-CD2 3.49Å; Y298-Y300 WeakPolarHBondContact O-CE2 3.41Å; Y298-Y300 PolarHBondContact O-N 3.41Å; Y298-A345 HydrophobicContact CD2-CB 3.93Å
299V93Very high85.1Confident18 Ų1862.5 Ų62.511%0.10935%0.347CS..  trans-81.9102.9170.7-179.20000108.8D297 A303 L304 Y348D297-V299 HydrophobicContact CB-CG2 4.05Å; D297-V299 VanDerWaalsContact CG-CG2 3.43Å; D297-V299 PolarHBondContact O-N 2.85Å; D297-V299 WeakPolarHBondContact OD1-CB 3.42Å; D297-V299 PolarHBondContact OD1-N 2.62Å; V299-A303 HydrophobicContact CG1-CB 4.41Å; V299-L304 HydrophobicContact CG1-CD1 4.47Å; V299-L304 HydrophobicContact CG1-CD2 3.73Å; V299-L304 HydrophobicContact CG1-CG 3.99Å; V299-Y348 HydrophobicContact CG2-CD2 3.95Å; V299-Y348 HydrophobicContact CG2-CE2 3.34Å
300Y95.2Very high82.1Confident3 Ų364.5 Ų64.51%0.01236%0.364CS..  trans-88.7163.9173.7-57.7-79000111.9T116 T119 L120 Q123 M148 N155 Y298 W302 A303T116-Y300 HydrophobicContact CG2-CD1 4.06Å; T119-Y300 HydrophobicContact CG2-CE1 3.57Å; L120-Y300 HydrophobicContact CD2-CE1 3.86Å; L120-Y300 HydrophobicContact CG-CD1 4.43Å; L120-Y300 HydrophobicContact CG-CE1 3.99Å; Q123-Y300 PolarHBondContact NE2-OH 3.32Å; M148-Y300 HydrophobicContact CE-CE2 3.94Å; N155-Y300 PolarHBondContact O-OH 2.88Å; Y298-Y300 WeakPolarHBondContact O-CD2 3.49Å; Y298-Y300 WeakPolarHBondContact O-CE2 3.41Å; Y298-Y300 PolarHBondContact O-N 3.41Å; Y300-W302 AromaticContact CD1-CH2 3.65Å; Y300-W302 HydrophobicContact CD1-CH2 3.65Å; Y300-W302 AromaticContact CD1-CZ2 3.75Å; Y300-W302 HydrophobicContact CD1-CZ2 3.75Å; Y300-W302 HydrophobicContact CD1-CZ3 4.4Å; Y300-W302 AromaticContact CD2-CE2 3.85Å; Y300-W302 HydrophobicContact CD2-CH2 4.21Å; Y300-W302 AromaticContact CD2-CZ2 3.43Å; Y300-W302 HydrophobicContact CD2-CZ2 3.43Å; Y300-W302 VanDerWaalsContact CD2-CZ2 3.43Å; Y300-W302 HydrophobicContact CE1-CH2 4.29Å; Y300-W302 HydrophobicContact CE1-CZ2 4.36Å; Y300-W302 HydrophobicContact CE2-CZ2 4.11Å; Y300-W302 HydrophobicContact CG-CD2 4.42Å; Y300-W302 AromaticContact CG-CE2 3.67Å; Y300-W302 AromaticContact CG-CH2 3.58Å; Y300-W302 HydrophobicContact CG-CH2 3.58Å; Y300-W302 AromaticContact CG-CZ2 3.21Å; Y300-W302 HydrophobicContact CG-CZ2 3.21Å; Y300-W302 HydrophobicContact CG-CZ3 4.31Å; Y300-W302 PolarHBondContact O-N 2.73Å; Y300-W302 VanDerWaalsContact O-N 3.17Å; Y300-A303 WeakPolarHBondContact O-CB 3.44Å; Y300-A303 PolarHBondContact O-N 2.87Å
301D96Very high79Confident27 Ų2763.7 Ų63.714%0.14436%0.364CS..Hα-helixtrans-56.8-36.4-176.9-58.8-17000113.2F112 S113 T116 A303 L304 L305F112-D301 WeakPolarHBondContact CA-OD2 3.42Å; S113-D301 VanDerWaalsContact CB-OD1 3.29Å; S113-D301 WeakPolarHBondContact CB-OD1 3.5Å; S113-D301 PolarHBondContact N-OD2 2.79Å; S113-D301 PolarHBondContact OG-OD1 3.03Å; S113-D301 PolarHBondContact OG-OD2 3.3Å; T116-D301 PolarHBondContact OG1-N 2.89Å; T116-D301 PolarHBondContact OG1-OD1 3Å; T116-D301 PolarHBondContact OG1-OD2 3.17Å; D301-A303 VanDerWaalsContact C-N 3.28Å; D301-A303 PolarHBondContact O-N 2.78Å; D301-L304 PolarHBondContact O-N 2.98Å; D301-L305 PolarHBondContact O-N 2.84Å
302W94.7Very high75.9Confident7 Ų765.8 Ų65.83%0.02737%0.373CS..Hα-helixtrans-69.1-25179.552.683.3000113.3L101 L104 F107 C108 F112 T116 L120 M148 Y300 L304 G306 P351L101-W302 HydrophobicContact CD2-CH2 4.26Å; L104-W302 HydrophobicContact CB-CD2 4.19Å; L104-W302 HydrophobicContact CB-CE3 3.77Å; L104-W302 HydrophobicContact CB-CZ3 4.03Å; L104-W302 HydrophobicContact CD1-CD2 4.1Å; L104-W302 HydrophobicContact CD1-CE3 4.22Å; L104-W302 HydrophobicContact CD1-CH2 3.91Å; L104-W302 HydrophobicContact CD1-CZ2 3.77Å; L104-W302 HydrophobicContact CD1-CZ3 4.14Å; L104-W302 HydrophobicContact CD2-CB 3.98Å; L104-W302 HydrophobicContact CD2-CD2 3.64Å; L104-W302 HydrophobicContact CD2-CE3 4.13Å; L104-W302 HydrophobicContact CD2-CG 3.58Å; L104-W302 HydrophobicContact CG-CD2 4.2Å; L104-W302 HydrophobicContact CG-CE3 4.27Å; F107-W302 HydrophobicContact CD1-CB 3.83Å; F107-W302 HydrophobicContact CE1-CB 3.99Å; C108-W302 PolarHBondContact SG-N 3.01Å; F112-W302 AromaticContact CE1-CE3 3.89Å; F112-W302 HydrophobicContact CE1-CE3 3.89Å; F112-W302 AromaticContact CE1-CZ3 3.84Å; F112-W302 HydrophobicContact CE1-CZ3 3.84Å; F112-W302 HydrophobicContact CE2-CZ3 4.16Å; F112-W302 HydrophobicContact CZ-CE3 4.05Å; F112-W302 AromaticContact CZ-CZ3 3.62Å; F112-W302 HydrophobicContact CZ-CZ3 3.62Å; T116-W302 HydrophobicContact CG2-CH2 4.38Å; T116-W302 HydrophobicContact CG2-CZ3 3.89Å; L120-W302 HydrophobicContact CD1-CH2 4.17Å; L120-W302 HydrophobicContact CD1-CZ3 4.41Å; L120-W302 HydrophobicContact CD2-CH2 4.23Å; M148-W302 HydrophobicContact CE-CZ2 4.42Å; M148-W302 HydrophobicContact CG-CZ2 4.24Å; M148-W302 HydrophobicContact SD-CZ2 4.2Å; Y300-W302 AromaticContact CD1-CH2 3.65Å; Y300-W302 HydrophobicContact CD1-CH2 3.65Å; Y300-W302 AromaticContact CD1-CZ2 3.75Å; Y300-W302 HydrophobicContact CD1-CZ2 3.75Å; Y300-W302 HydrophobicContact CD1-CZ3 4.4Å; Y300-W302 AromaticContact CD2-CE2 3.85Å; Y300-W302 HydrophobicContact CD2-CH2 4.21Å; Y300-W302 AromaticContact CD2-CZ2 3.43Å; Y300-W302 HydrophobicContact CD2-CZ2 3.43Å; Y300-W302 VanDerWaalsContact CD2-CZ2 3.43Å; Y300-W302 HydrophobicContact CE1-CH2 4.29Å; Y300-W302 HydrophobicContact CE1-CZ2 4.36Å; Y300-W302 HydrophobicContact CE2-CZ2 4.11Å; Y300-W302 HydrophobicContact CG-CD2 4.42Å; Y300-W302 AromaticContact CG-CE2 3.67Å; Y300-W302 AromaticContact CG-CH2 3.58Å; Y300-W302 HydrophobicContact CG-CH2 3.58Å; Y300-W302 AromaticContact CG-CZ2 3.21Å; Y300-W302 HydrophobicContact CG-CZ2 3.21Å; Y300-W302 HydrophobicContact CG-CZ3 4.31Å; Y300-W302 PolarHBondContact O-N 2.73Å; Y300-W302 VanDerWaalsContact O-N 3.17Å; W302-L304 VanDerWaalsContact C-N 3.29Å; W302-G306 PolarHBondContact O-N 3.44Å; W302-P351 HydrophobicContact CB-CG 4.13Å
303A89.7Confident72.8Confident11 Ų1166.9 Ų66.99%0.09139%0.387CS..Hα-helixtrans-67.9-33.6174.700000111.2V299 Y300 D301 Y348V299-A303 HydrophobicContact CG1-CB 4.41Å; Y300-A303 WeakPolarHBondContact O-CB 3.44Å; Y300-A303 PolarHBondContact O-N 2.87Å; D301-A303 VanDerWaalsContact C-N 3.28Å; D301-A303 PolarHBondContact O-N 2.78Å; A303-Y348 HydrophobicContact CB-CG 4.3Å
304L83.3Confident69.4Low96 Ų9668.4 Ų68.450%0.50339%0.39SS..Hα-helixtrans-78.3-25.7-179.6-58.8176.6000113.3V299 D301 W302 T307V299-L304 HydrophobicContact CG1-CD1 4.47Å; V299-L304 HydrophobicContact CG1-CD2 3.73Å; V299-L304 HydrophobicContact CG1-CG 3.99Å; D301-L304 PolarHBondContact O-N 2.98Å; W302-L304 VanDerWaalsContact C-N 3.29Å; L304-T307 PolarHBondContact O-OG1 3.41Å
305L80.2Confident66.1Low71 Ų7169.8 Ų69.837%0.37241%0.407SS..Hα-helixtrans-78.5-31.7175.9-67.4172.5000112.1F107 C108 D301 S309F107-L305 HydrophobicContact CD1-CD1 4.27Å; F107-L305 HydrophobicContact CE1-CB 3.85Å; F107-L305 HydrophobicContact CE1-CD1 4.13Å; F107-L305 HydrophobicContact CZ-CB 4.27Å; C108-L305 HydrophobicContact CB-CD1 4.19Å; D301-L305 PolarHBondContact O-N 2.84Å; L305-S309 PolarHBondContact O-N 3.09Å; L305-S309 PolarHBondContact O-OG 3.39Å
306G61.8Low62.8Low27 Ų2771.8 Ų71.828%0.27841%0.413SS..Hα-helixtrans-64-39.1175.700000112.9W302 S309 S310W302-G306 PolarHBondContact O-N 3.44Å; G306-S309 PolarHBondContact O-N 2.97Å; G306-S310 PolarHBondContact O-N 2.96Å; G306-S310 PolarHBondContact O-OG 2.74Å
307T49.9Very low59.7Low62 Ų6275.4 Ų75.438%0.3843%0.429SS..Hα-helixtrans-70.2-34.7-179.250.20000113.3L304 S309 S310 N311L304-T307 PolarHBondContact O-OG1 3.41Å; T307-S309 PolarHBondContact O-N 2.91Å; T307-S310 WeakPolarHBondContact CA-OG 3.44Å; T307-S310 PolarHBondContact O-N 3.14Å; T307-S310 PolarHBondContact O-OG 3.41Å; T307-N311 PolarHBondContact O-N 2.95Å
308N42.2Very low56.4Low117 Ų11781 Ų8163%0.62646%0.46SS*.Hα-helixtrans-68.6-23.5174.8-73.2-17000112.5
309S39.6Very low53.4Low76 Ų7683.8 Ų83.853%0.53149%0.491SS..Hα-helixtrans-83.1-30.2176.1-54.70000112L305 G306 T307L305-S309 PolarHBondContact O-N 3.09Å; L305-S309 PolarHBondContact O-OG 3.39Å; G306-S309 PolarHBondContact O-N 2.97Å; T307-S309 PolarHBondContact O-N 2.91Å
310S36.9Very low50.3Low65 Ų6590.6 Ų90.646%0.45553%0.526SS..Hα-helixtrans-83.8-12.8-179.455.10000114.9G306 T307 T312 S313G306-S310 PolarHBondContact O-N 2.96Å; G306-S310 PolarHBondContact O-OG 2.74Å; T307-S310 WeakPolarHBondContact CA-OG 3.44Å; T307-S310 PolarHBondContact O-N 3.14Å; T307-S310 PolarHBondContact O-OG 3.41Å; S310-T312 PolarHBondContact O-N 2.82Å; S310-T312 VanDerWaalsContact O-N 3.09Å; S310-S313 PolarHBondContact O-N 2.88Å
311N32.1Very low47.6Very low117 Ų11796 Ų9663%0.62656%0.562SS**THydrogen-bonded Turntrans-67.3-3.8170.5-85.5-7.7000114.2T307T307-N311 PolarHBondContact O-N 2.95Å
312T33.7Very low44.2Very low124 Ų124103.6 Ų103.676%0.76160%0.597SS**THydrogen-bonded Turntrans-998.6170.3-23.50000113.1S310S310-T312 PolarHBondContact O-N 2.82Å; S310-T312 VanDerWaalsContact O-N 3.09Å
313S30.9Very low40.9Very low93 Ų93110 Ų11065%0.6564%0.641SS**  trans-143.944.2179.6-530000112.4S310 S315S310-S313 PolarHBondContact O-N 2.88Å; S313-S315 PolarHBondContact O-N 3.21Å
314Q26.8Very low37.7Very low174 Ų174118.9 Ų118.981%0.81368%0.68SS**  trans-78.575.2161.7-80.1-170.1-8.600110.2
315S27.4Very low34.9Very low91 Ų91121.9 Ų121.964%0.63670%0.697SS**  trans-154.3129152.760.40000107.3S313S313-S315 PolarHBondContact O-N 3.21Å
316I26.3Very low32.4Very low141 Ų141126.3 Ų126.372%0.72372%0.721SS**SBendtrans94.484.7163.1-49.2159000114.4
317M27.1Very low30.6Very low169 Ų169129.4 Ų129.483%0.83374%0.744SS**  149.6104.8115.3-70.5-117.8-178.500112.4
318N25.4Very low29.4Very low173 Ų173134.3 Ų134.393%0.92577%0.768SS**  trans-66.8125.5152.8-78.1-24.3000108.7
319A29Very low28.5Very low98 Ų98137.4 Ų137.481%0.8178%0.778SS**  trans-145.2120.4155.900000108.7
320N29Very low28Very low161 Ų161143 Ų14386%0.86180%0.796SS**  trans-61.1155.2-175.7-83.2-19.6000113.6
321P38Very low27.3Very low117 Ų117148.7 Ų148.776%0.7682%0.815SS**  trans-100.6124.217835.6-24.8000111.8
322E23.8Very low26.9Very low186 Ų186150.6 Ų150.687%0.86983%0.825SS**  trans-143.6115.1161.5-72.3-174.8172.600108.2
323C25Very low26.5Very low141 Ų141151 Ų15195%0.95382%0.823SS**  trans-157.9112.2157.2-96.40000108.1
324E24.4Very low26.5Very low197 Ų197151.8 Ų151.892%0.92184%0.835SS**  trans-70.2152.7-172-69.9174.3136.800114.8
325D24.6Very low27Very low160 Ų160147.1 Ų147.186%0.85681%0.813SS**  trans-57.4132172.2-80.5-46.7000113.3
326N26Very low27.5Very low164 Ų164144.9 Ų144.988%0.87780%0.797SS**  trans-125.296158.8-107.3-36.4000109.5
327A24.8Very low28.1Very low91 Ų91145.7 Ų145.775%0.75280%0.798SS**  trans-77116.6171.600000109.9
328N24.9Very low28.6Very low165 Ų165138.3 Ų138.388%0.88277%0.765SS**  trans-121.3111.3163.5-104.4-24000110
329Q23.5Very low29.2Very low182 Ų182136.9 Ų136.985%0.8576%0.756SS**  trans-70.7126.8175.7-64.6171.4-8.800110
330H27.8Very low29.9Very low195 Ų195136.5 Ų136.590%0.90374%0.74SS**  trans-139.1145.7159.9-9619.2000111.4
331Q22.8Very low30.1Very low184 Ų184132 Ų13286%0.8672%0.722SS**  trans-79143.3-153.5-74.1158.1-30.400116
332N23.4Very low29.9Very low157 Ų157130.8 Ų130.884%0.8471%0.712SS**  trans18.9101.2141.9-67.6-15.5000118.5
333N26.4Very low30.2Very low131 Ų131129 Ų12970%0.70171%0.714SS**  trans-135135135-88.7-37.6000107.1E335N333-E335 HydrophobicContact CB-CG 4.08Å; N333-E335 PolarHBondContact O-N 2.97Å
334A29.9Very low30.4Very low111 Ų111126.1 Ų126.192%0.91771%0.708SS**  trans-68.276.5176.700000109.6
335E37.3Very low31Very low76 Ų76118.3 Ų118.336%0.35568%0.677SS.*  trans-97.8160.1175.6-65.8-162.9123.200109.6R134 N333 Q337R134-E335 IonicContact NH2-OE1 3.12Å; R134-E335 PolarHBondContact NH2-OE1 3.02Å; R134-E335 VanDerWaalsContact NH2-OE1 3.12Å; N333-E335 HydrophobicContact CB-CG 4.08Å; N333-E335 PolarHBondContact O-N 2.97Å; E335-Q337 PolarHBondContact O-N 2.8Å
336C38.6Very low31.7Very low43 Ų43113 Ų11329%0.29166%0.656SS.*  trans-6273.2175.8-58.90000111.1G338C336-G338 PolarHBondContact O-N 2.76Å
337Q37.8Very low32.5Very low158 Ų158112.4 Ų112.474%0.73865%0.648SS**  trans-80.897168.3-65.5-172.5-5.400106.1E335E335-Q337 PolarHBondContact O-N 2.8Å
338G37.7Very low33.7Very low15 Ų15112.9 Ų112.916%0.15563%0.63CS.*  trans-55.9139.1161.300000108.2C336 D340C336-G338 PolarHBondContact O-N 2.76Å; G338-D340 PolarHBondContact O-N 3Å
339I37.9Very low35Very low143 Ų143109.2 Ų109.273%0.73362%0.623SS**  trans-52.5105.6179.3-61.5164.3000108.2S341I339-S341 VanDerWaalsContact C-N 3.34Å; I339-S341 PolarHBondContact O-N 3.35Å
340D43.8Very low36.6Very low89 Ų89101.1 Ų101.148%0.47659%0.585SS.*  trans-97.867.1-179.9-15328.8000106.8R156 G338 T342R156-D340 IonicContact CZ-OD1 2.74Å; R156-D340 IonicContact CZ-OD2 3.76Å; R156-D340 IonicContact NE-OD1 2.84Å; R156-D340 IonicContact NH2-OD1 3.08Å; R156-D340 PolarHBondContact NH2-OD1 3.34Å; R156-D340 IonicContact NH2-OD2 2.58Å; R156-D340 PolarHBondContact NH2-OD2 3.17Å; G338-D340 PolarHBondContact O-N 3Å; D340-T342 PolarHBondContact O-N 2.98Å
341S34.6Very low37.8Very low68 Ų6892.3 Ų92.348%0.47655%0.546SS..  trans-74.373.1173.457.60000108.9I339I339-S341 VanDerWaalsContact C-N 3.34Å; I339-S341 PolarHBondContact O-N 3.35Å
342T34Very low39.1Very low90 Ų9086.6 Ų86.655%0.55253%0.53SS*.  trans-99.963.5169.948.20000108.9D340D340-T342 PolarHBondContact O-N 2.98Å
343V28.9Very low40.2Very low150 Ų15083.9 Ų83.991%0.90952%0.515SS*.SBendtrans-128.798.1162.9-169.60000106.5
344G29.9Very low41.2Very low80 Ų8078.2 Ų78.283%0.82549%0.485SS*.SBendtrans112.10.9170.300000118.2A346G344-A346 PolarHBondContact O-N 3Å
345A35.9Very low42Very low33 Ų3375.9 Ų75.927%0.27346%0.456SS..  trans-73.7122.1175.100000110.4Y298 Q347Y298-A345 HydrophobicContact CD2-CB 3.93Å; A345-Q347 PolarHBondContact O-N 3.16Å
346A39.7Very low41.9Very low49 Ų4978 Ų7841%0.40547%0.466SS..  trans-54.2124.1174.300000109.9G344 Y348G344-A346 PolarHBondContact O-N 3Å; A346-Y348 HydrophobicContact CB-CD2 4.13Å; A346-Y348 HydrophobicContact CB-CE2 3.4Å; A346-Y348 WeakPolarHBondContact O-CD2 3.38Å; A346-Y348 PolarHBondContact O-N 3.3Å
347Q43.8Very low41.7Very low151 Ų15182 Ų8271%0.70648%0.48SS*.  trans-73.393176.7-75.8177.3-11.200108.5A345A345-Q347 PolarHBondContact O-N 3.16Å
348Y49.9Very low41.6Very low100 Ų10076.7 Ų76.739%0.39246%0.455SS..PPolyproline II helixtrans-83.3117.7168.8-62.4-77.5000108.4V299 A303 A346 L350V299-Y348 HydrophobicContact CG2-CD2 3.95Å; V299-Y348 HydrophobicContact CG2-CE2 3.34Å; A303-Y348 HydrophobicContact CB-CG 4.3Å; A346-Y348 HydrophobicContact CB-CD2 4.13Å; A346-Y348 HydrophobicContact CB-CE2 3.4Å; A346-Y348 WeakPolarHBondContact O-CD2 3.38Å; A346-Y348 PolarHBondContact O-N 3.3Å; Y348-L350 PolarHBondContact O-N 3.36Å
349A52.6Low41.3Very low88 Ų8879.1 Ų79.173%0.72746%0.46SS*.PPolyproline II helixtrans-58.4134174.500000109.5
350L56.4Low40.9Very low12 Ų1279.1 Ų79.16%0.06348%0.481CS..PPolyproline II helixtrans-51.6142.6166.4-75.3163.9000108.5P99 M148 G149 C154 Y348 A352 I355P99-L350 HydrophobicContact CG-CD1 4.45Å; P99-L350 HydrophobicContact CG-CD2 3.99Å; M148-L350 HydrophobicContact CB-CD2 4.19Å; M148-L350 HydrophobicContact CG-CD2 4.45Å; G149-L350 WeakPolarHBondContact O-CD1 3.38Å; C154-L350 HydrophobicContact CB-CD1 4.49Å; C154-L350 HydrophobicContact CB-CG 4.36Å; Y348-L350 PolarHBondContact O-N 3.36Å; L350-A352 PolarHBondContact O-N 3.1Å; L350-I355 HydrophobicContact CB-CD1 4.17Å; L350-I355 HydrophobicContact CB-CG1 4.26Å
351P53.5Low40.8Very low10 Ų1078.6 Ų78.67%0.06548%0.482CS..PPolyproline II helixtrans-50.9120.2-178.3-26.934.4000110.2F107 W302 L353 L354 I355F107-P351 HydrophobicContact CD1-CG 4.25Å; F107-P351 HydrophobicContact CE1-CB 4.03Å; F107-P351 HydrophobicContact CE1-CG 3.61Å; F107-P351 HydrophobicContact CE2-CB 4.22Å; F107-P351 HydrophobicContact CZ-CB 3.72Å; F107-P351 HydrophobicContact CZ-CG 3.85Å; W302-P351 HydrophobicContact CB-CG 4.13Å; P351-L353 PolarHBondContact O-N 2.8Å; P351-L354 HydrophobicContact CB-CB 4.4Å; P351-L354 HydrophobicContact CB-CD1 4.25Å; P351-L354 HydrophobicContact CG-CD1 4.11Å; P351-L354 PolarHBondContact O-N 3.13Å; P351-I355 PolarHBondContact O-N 3Å; P351-I355 VanDerWaalsContact O-N 3.15Å
352A49.7Very low41.1Very low64 Ų6479.2 Ų79.253%0.52948%0.482SS..Hα-helixtrans-54.8-31.5-177.700000111.5L350 L354 I355 H356L350-A352 PolarHBondContact O-N 3.1Å; A352-L354 PolarHBondContact O-N 3.04Å; A352-I355 PolarHBondContact O-N 2.78Å; A352-H356 WeakPolarHBondContact O-CB 3.31Å; A352-H356 PolarHBondContact O-CD2 3.01Å; A352-H356 PolarHBondContact O-N 3.29Å
353L45.2Very low41.5Very low101 Ų10178.6 Ų78.653%0.52948%0.478SS..Hα-helixtrans-61.5-36173.3-96.6146.2000113.8P351 Q357P351-L353 PolarHBondContact O-N 2.8Å; L353-Q357 WeakPolarHBondContact O-CB 3.31Å; L353-Q357 WeakPolarHBondContact O-CG 3.4Å; L353-Q357 PolarHBondContact O-N 2.89Å
354L48.5Very low42.2Very low12 Ų1274.4 Ų74.46%0.06345%0.453CS..Hα-helixtrans-82.7-28.4177.8-82.7169.4000112.8P99 D103 L104 F107 P351 A352P99-L354 HydrophobicContact CB-CB 4.44Å; P99-L354 HydrophobicContact CG-CB 4.43Å; D103-L354 HydrophobicContact CB-CD2 4.21Å; L104-L354 HydrophobicContact CD2-CD1 3.5Å; L104-L354 VanDerWaalsContact CD2-CD1 3.5Å; L104-L354 HydrophobicContact CG-CD1 4.39Å; F107-L354 HydrophobicContact CB-CD1 3.65Å; F107-L354 HydrophobicContact CB-CD2 4.2Å; F107-L354 HydrophobicContact CB-CG 4.2Å; F107-L354 HydrophobicContact CD1-CD1 3.91Å; F107-L354 HydrophobicContact CD2-CD1 3.89Å; F107-L354 HydrophobicContact CD2-CD2 4.47Å; F107-L354 HydrophobicContact CD2-CG 3.92Å; F107-L354 HydrophobicContact CG-CD1 3.54Å; F107-L354 HydrophobicContact CG-CG 4.07Å; P351-L354 HydrophobicContact CB-CB 4.4Å; P351-L354 HydrophobicContact CB-CD1 4.25Å; P351-L354 HydrophobicContact CG-CD1 4.11Å; P351-L354 PolarHBondContact O-N 3.13Å; A352-L354 PolarHBondContact O-N 3.04Å
355I46.7Very low43Very low61 Ų6174 Ų7431%0.31343%0.43SS..Hα-helixtrans-60.1-68.7163.8-58.4176.1000105.1L350 P351 A352 Q357 Q358 Y359L350-I355 HydrophobicContact CB-CD1 4.17Å; L350-I355 HydrophobicContact CB-CG1 4.26Å; P351-I355 PolarHBondContact O-N 3Å; P351-I355 VanDerWaalsContact O-N 3.15Å; A352-I355 PolarHBondContact O-N 2.78Å; I355-Q357 PolarHBondContact O-N 3.24Å; I355-Q357 VanDerWaalsContact O-N 3.17Å; I355-Q358 WeakPolarHBondContact O-CB 3.36Å; I355-Q358 PolarHBondContact O-N 3.12Å; I355-Y359 VanDerWaalsContact C-CD2 3.4Å; I355-Y359 HydrophobicContact CB-CE2 4.37Å; I355-Y359 HydrophobicContact CG2-CD2 3.99Å; I355-Y359 HydrophobicContact CG2-CE2 3.38Å; I355-Y359 WeakPolarHBondContact O-CD2 3.21Å; I355-Y359 WeakPolarHBondContact O-CE2 3.3Å
356H34.3Very low43.5Very low122 Ų12276.7 Ų76.757%0.56544%0.44SS*.Hα-helixtrans-60.6-25.1-174.7-72.8-63.2000117.3A352 Q358 Y359 A360A352-H356 WeakPolarHBondContact O-CB 3.31Å; A352-H356 PolarHBondContact O-CD2 3.01Å; A352-H356 PolarHBondContact O-N 3.29Å; H356-Q358 PolarHBondContact O-N 2.8Å; H356-Y359 VanDerWaalsContact C-N 3.35Å; H356-Y359 CarbonylContact O-C 3.51Å; H356-Y359 VanDerWaalsContact O-CA 3.22Å; H356-Y359 WeakPolarHBondContact O-CA 3.38Å; H356-Y359 PolarHBondContact O-N 2.78Å; H356-A360 PolarHBondContact O-N 3.19Å
357Q34.8Very low43.7Very low126 Ų12678.7 Ų78.759%0.58944%0.443SS*.THydrogen-bonded Turntrans-73.5-14.1172.1-81.1179.2-17.700112.9L353 I355 Y359L353-Q357 WeakPolarHBondContact O-CB 3.31Å; L353-Q357 WeakPolarHBondContact O-CG 3.4Å; L353-Q357 PolarHBondContact O-N 2.89Å; I355-Q357 PolarHBondContact O-N 3.24Å; I355-Q357 VanDerWaalsContact O-N 3.17Å; Q357-Y359 VanDerWaalsContact C-N 3.34Å
358Q36.4Very low43.7Very low47 Ų4773.2 Ų73.222%0.2242%0.422CS..THydrogen-bonded Turntrans-84.5-8.6159.2-68.6-175.5-14.500112.3R22 I355 H356R22-Q358 PolarHBondContact NH1-O 3.49Å; R22-Q358 PolarHBondContact NH2-O 3.38Å; I355-Q358 WeakPolarHBondContact O-CB 3.36Å; I355-Q358 PolarHBondContact O-N 3.12Å; H356-Q358 PolarHBondContact O-N 2.8Å
359Y31.6Very low43.2Very low65 Ų6570.9 Ų70.926%0.25543%0.425SS..THydrogen-bonded Turntrans-104.6-17.6-177.4-54.2-112.5000116.6R22 L34 I355 H356 Q357R22-Y359 VanDerWaalsContact CZ-CD1 3.44Å; R22-Y359 VanDerWaalsContact NH2-CA 3.3Å; L34-Y359 HydrophobicContact CD2-CD1 4.31Å; L34-Y359 HydrophobicContact CD2-CE1 3.96Å; I355-Y359 VanDerWaalsContact C-CD2 3.4Å; I355-Y359 HydrophobicContact CB-CE2 4.37Å; I355-Y359 HydrophobicContact CG2-CD2 3.99Å; I355-Y359 HydrophobicContact CG2-CE2 3.38Å; I355-Y359 WeakPolarHBondContact O-CD2 3.21Å; I355-Y359 WeakPolarHBondContact O-CE2 3.3Å; H356-Y359 VanDerWaalsContact C-N 3.35Å; H356-Y359 CarbonylContact O-C 3.51Å; H356-Y359 VanDerWaalsContact O-CA 3.22Å; H356-Y359 WeakPolarHBondContact O-CA 3.38Å; H356-Y359 PolarHBondContact O-N 2.78Å; Q357-Y359 VanDerWaalsContact C-N 3.34Å
360A28.7Very low42.4Very low143 Ų14369.4 Ų69.4100%1.18240%0.397SS*.  trans-107.80169.300000110H356H356-A360 PolarHBondContact O-N 3.19Å

Retrieved 360 of 360 residues in 90.2 ms (Link to these results)

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