A0A077ZJP2_TRITR Loading...

PolyA pol RNAbd and tRNA NucTran2 2 and PolyA pol domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJP2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 392 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
1M65.8Low89.7Confident125 Ų12568 Ų6862%0.61637%0.367SS*.  071.60-65.9-54.4-151.200111.7I3 Y16M1-I3 VanDerWaalsContact C-N 3.35Å; M1-I3 PolarHBondContact O-N 2.93Å; M1-Y16 WeakPolarHBondContact CB-OH 3.32Å; M1-Y16 HydrophobicContact CE-CE1 4.12Å; M1-Y16 HydrophobicContact CE-CE2 3.69Å; M1-Y16 VanDerWaalsContact CE-CZ 3.43Å; M1-Y16 WeakPolarHBondContact CE-OH 3.41Å; M1-Y16 HydrophobicContact CG-CE2 4.32Å; M1-Y16 WeakPolarHBondContact CG-OH 3.37Å; M1-Y16 HydrophobicContact SD-CE1 4.45Å; M1-Y16 HydrophobicContact SD-CE2 4.33Å; M1-Y16 PolarHBondContact SD-OH 3.24Å
2P79.9Confident90.2Very high66 Ų6666.3 Ų66.343%0.42935%0.352SS..Hα-helixtrans-69.1-24.4-173.824.9-31.9000114.9K6P2-K6 VanDerWaalsContact O-CB 3.28Å; P2-K6 WeakPolarHBondContact O-CB 3.41Å; P2-K6 PolarHBondContact O-N 2.92Å; P2-K6 VanDerWaalsContact O-N 3.1Å
3I89.4Confident90.6Very high2 Ų267.5 Ų67.51%0.0135%0.354CS..Hα-helixtrans-74.7-55.3-174.9-62.6-179.2000112.2M1 R5 K6 L7 I35 F48 V63 T65 Y70 V72M1-I3 VanDerWaalsContact C-N 3.35Å; M1-I3 PolarHBondContact O-N 2.93Å; I3-R5 PolarHBondContact O-N 2.89Å; I3-K6 PolarHBondContact O-N 2.96Å; I3-K6 VanDerWaalsContact O-N 3.15Å; I3-L7 HydrophobicContact CG2-CD1 3.9Å; I3-L7 PolarHBondContact O-N 3.09Å; I3-I35 HydrophobicContact CB-CD1 4Å; I3-I35 HydrophobicContact CD1-CD1 4.36Å; I3-I35 HydrophobicContact CG2-CD1 3.65Å; I3-F48 HydrophobicContact CB-CE1 4.3Å; I3-F48 HydrophobicContact CB-CZ 4.17Å; I3-F48 HydrophobicContact CG1-CE1 4.02Å; I3-F48 HydrophobicContact CG1-CZ 4.35Å; I3-F48 HydrophobicContact CG2-CE1 4.2Å; I3-F48 HydrophobicContact CG2-CE2 4.24Å; I3-F48 HydrophobicContact CG2-CZ 3.66Å; I3-V63 HydrophobicContact CD1-CB 3.99Å; I3-V63 HydrophobicContact CD1-CG1 3.74Å; I3-V63 HydrophobicContact CG1-CG1 4.28Å; I3-T65 HydrophobicContact CD1-CG2 3.84Å; I3-T65 HydrophobicContact CG1-CG2 4Å; I3-Y70 HydrophobicContact CD1-CD1 4.25Å; I3-Y70 HydrophobicContact CD1-CD2 3.19Å; I3-Y70 HydrophobicContact CD1-CE2 3.89Å; I3-Y70 HydrophobicContact CD1-CG 3.4Å; I3-Y70 VanDerWaalsContact CD1-CG 3.4Å; I3-Y70 HydrophobicContact CG1-CD2 4.37Å; I3-V72 HydrophobicContact CG2-CG2 3.99Å
4L92.5Very high90.9Very high0 Ų062.7 Ų62.70%033%0.329CS..Hα-helixtrans-55.1-45177.6-96.563.2000110.9K6 L7 Q8 A14 Y16 I35 I114L4-K6 PolarHBondContact O-N 3.36Å; L4-L7 PolarHBondContact O-N 2.84Å; L4-Q8 WeakPolarHBondContact O-CB 3.4Å; L4-Q8 VanDerWaalsContact O-CG 3.27Å; L4-Q8 WeakPolarHBondContact O-CG 3.43Å; L4-Q8 PolarHBondContact O-N 2.79Å; L4-A14 HydrophobicContact CG-CB 4.06Å; L4-Y16 HydrophobicContact CD1-CD1 4.28Å; L4-Y16 HydrophobicContact CD1-CE1 3.7Å; L4-Y16 HydrophobicContact CD1-CE2 4.09Å; L4-Y16 HydrophobicContact CD2-CD2 3.72Å; L4-Y16 HydrophobicContact CD2-CE1 4.45Å; L4-Y16 HydrophobicContact CD2-CE2 3.33Å; L4-Y16 HydrophobicContact CD2-CG 4.4Å; L4-Y16 HydrophobicContact CG-CE2 4.29Å; L4-I35 HydrophobicContact CD1-CB 4.3Å; L4-I35 HydrophobicContact CD1-CD1 3.54Å; L4-I35 HydrophobicContact CD1-CG1 3.69Å; L4-I35 HydrophobicContact CD1-CG2 3.64Å; L4-I114 HydrophobicContact CB-CB 4.43Å; L4-I114 HydrophobicContact CB-CD1 4.21Å; L4-I114 HydrophobicContact CB-CG1 4.46Å; L4-I114 HydrophobicContact CD2-CB 4.2Å
5R92.3Very high91.3Very high146 Ų14661.1 Ų61.155%0.55132%0.317SS*.Hα-helixtrans-60.2-46.9179.3-169.7175.9-63.3-167.7-1.6111.5I3 L7 Q8 E9 I114I3-R5 PolarHBondContact O-N 2.89Å; R5-L7 VanDerWaalsContact C-N 3.34Å; R5-L7 PolarHBondContact O-N 3.15Å; R5-Q8 PolarHBondContact O-N 3.35Å; R5-E9 WeakPolarHBondContact CD-OE1 3.24Å; R5-E9 HydrophobicContact CG-CG 4.23Å; R5-E9 VanDerWaalsContact CG-OE1 3.28Å; R5-E9 WeakPolarHBondContact CG-OE1 3.44Å; R5-E9 WeakPolarHBondContact O-CB 3.29Å; R5-E9 VanDerWaalsContact O-CG 3.29Å; R5-E9 WeakPolarHBondContact O-CG 3.47Å; R5-E9 PolarHBondContact O-N 2.87Å; R5-I114 HydrophobicContact CB-CD1 3.69Å; R5-I114 HydrophobicContact CG-CD1 4.38Å
6K93.2Very high91.5Very high75 Ų7558.4 Ų58.433%0.32630%0.302SS..Hα-helixtrans-64.6-37.8-179.8-167.8174.4-164.8-179.50112.6P2 I3 L4 A10 L47 F48P2-K6 VanDerWaalsContact O-CB 3.28Å; P2-K6 WeakPolarHBondContact O-CB 3.41Å; P2-K6 PolarHBondContact O-N 2.92Å; P2-K6 VanDerWaalsContact O-N 3.1Å; I3-K6 PolarHBondContact O-N 2.96Å; I3-K6 VanDerWaalsContact O-N 3.15Å; L4-K6 PolarHBondContact O-N 3.36Å; K6-A10 WeakPolarHBondContact O-CB 3.23Å; K6-A10 PolarHBondContact O-N 3.42Å; K6-L47 WeakPolarHBondContact CE-O 3.4Å; K6-L47 PolarHBondContact NZ-O 3.36Å; K6-F48 HydrophobicContact CB-CE1 4.05Å; K6-F48 HydrophobicContact CB-CZ 3.94Å; K6-F48 HydrophobicContact CD-CD1 4.02Å; K6-F48 HydrophobicContact CD-CE1 3.57Å; K6-F48 HydrophobicContact CD-CZ 4.03Å; K6-F48 HydrophobicContact CG-CE1 4.23Å; K6-F48 HydrophobicContact CG-CZ 4.24Å
7L95Very high91.7Very high0 Ų055.1 Ų55.10%029%0.285CS..Hα-helixtrans-64.7-46174-74.4163.4000111.3I3 L4 R5 A10 G11 Y12 A14 I35 T37 A39 V44 L47 F48 V72I3-L7 HydrophobicContact CG2-CD1 3.9Å; I3-L7 PolarHBondContact O-N 3.09Å; L4-L7 PolarHBondContact O-N 2.84Å; R5-L7 VanDerWaalsContact C-N 3.34Å; R5-L7 PolarHBondContact O-N 3.15Å; L7-A10 PolarHBondContact O-N 3.16Å; L7-G11 PolarHBondContact O-N 2.97Å; L7-Y12 CarbonylContact C-O 3.58Å; L7-Y12 WeakPolarHBondContact O-CB 3.46Å; L7-Y12 PolarHBondContact O-N 3.12Å; L7-A14 HydrophobicContact CB-CB 3.72Å; L7-A14 HydrophobicContact CD1-CB 3.68Å; L7-A14 HydrophobicContact CG-CB 4.34Å; L7-I35 HydrophobicContact CD1-CG2 4.3Å; L7-T37 HydrophobicContact CD1-CG2 4.45Å; L7-A39 HydrophobicContact CD2-CB 3.94Å; L7-V44 HydrophobicContact CD2-CG2 4.44Å; L7-L47 HydrophobicContact CD2-CD1 3.76Å; L7-F48 HydrophobicContact CD1-CE2 4.47Å; L7-F48 HydrophobicContact CD2-CE2 4.02Å; L7-F48 HydrophobicContact CG-CE2 3.97Å; L7-F48 HydrophobicContact CG-CZ 4.14Å; L7-V72 HydrophobicContact CD1-CG1 4.24Å
8Q94.4Very high91.6Very high73 Ų7352.1 Ų52.134%0.34127%0.27SS..Hα-helixtrans-66.7-40.7179.1-71.5175.2-10.100112.8L4 R5 A10 G11 Y12 A14 I114L4-Q8 WeakPolarHBondContact O-CB 3.4Å; L4-Q8 VanDerWaalsContact O-CG 3.27Å; L4-Q8 WeakPolarHBondContact O-CG 3.43Å; L4-Q8 PolarHBondContact O-N 2.79Å; R5-Q8 PolarHBondContact O-N 3.35Å; Q8-A10 PolarHBondContact O-N 3.11Å; Q8-G11 PolarHBondContact O-N 3.1Å; Q8-Y12 VanDerWaalsContact CA-O 3.29Å; Q8-Y12 WeakPolarHBondContact CA-O 3.31Å; Q8-A14 PolarHBondContact NE2-O 3.13Å; Q8-I114 VanDerWaalsContact OE1-CG2 3.28Å
9E94.6Very high91.5Very high149 Ų14950.5 Ų50.570%0.69627%0.267SS*.Hα-helixtrans-63.1-29.2174.2-75.7171.4179.700112.2R5 G11R5-E9 WeakPolarHBondContact CD-OE1 3.24Å; R5-E9 HydrophobicContact CG-CG 4.23Å; R5-E9 VanDerWaalsContact CG-OE1 3.28Å; R5-E9 WeakPolarHBondContact CG-OE1 3.44Å; R5-E9 WeakPolarHBondContact O-CB 3.29Å; R5-E9 VanDerWaalsContact O-CG 3.29Å; R5-E9 WeakPolarHBondContact O-CG 3.47Å; R5-E9 PolarHBondContact O-N 2.87Å; E9-G11 PolarHBondContact O-N 3.15Å
10A94.9Very high91.4Very high43 Ų4348.3 Ų48.336%0.35526%0.256SS..THydrogen-bonded Turntrans-81.31.6172.600000113.8K6 L7 Q8 Y12 L47K6-A10 WeakPolarHBondContact O-CB 3.23Å; K6-A10 PolarHBondContact O-N 3.42Å; L7-A10 PolarHBondContact O-N 3.16Å; Q8-A10 PolarHBondContact O-N 3.11Å; A10-Y12 HydrophobicContact CB-CD2 3.81Å; A10-Y12 HydrophobicContact CB-CE2 3.91Å; A10-L47 HydrophobicContact CB-CD1 3.75Å; A10-L47 HydrophobicContact CB-CD2 3.52Å; A10-L47 HydrophobicContact CB-CG 4.28Å
11G94.6Very high91.5Very high69 Ų6946 Ų4671%0.71124%0.244SC*.THydrogen-bonded Turntrans88.911.8177.300000115L7 Q8 E9L7-G11 PolarHBondContact O-N 2.97Å; Q8-G11 PolarHBondContact O-N 3.1Å; E9-G11 PolarHBondContact O-N 3.15Å
12Y95.6Very high92.9Very high47 Ų4741 Ų4118%0.18422%0.218CC..  trans-100.3143.2178.3-57-70.1000112.3L7 Q8 A10 S38 A39 E43 L47L7-Y12 CarbonylContact C-O 3.58Å; L7-Y12 WeakPolarHBondContact O-CB 3.46Å; L7-Y12 PolarHBondContact O-N 3.12Å; Q8-Y12 VanDerWaalsContact CA-O 3.29Å; Q8-Y12 WeakPolarHBondContact CA-O 3.31Å; A10-Y12 HydrophobicContact CB-CD2 3.81Å; A10-Y12 HydrophobicContact CB-CE2 3.91Å; Y12-S38 WeakPolarHBondContact CA-OG 3.41Å; Y12-A39 HydrophobicContact CD1-CB 3.79Å; Y12-A39 HydrophobicContact CD2-CB 3.86Å; Y12-A39 HydrophobicContact CE1-CB 4.18Å; Y12-A39 HydrophobicContact CE2-CB 4.25Å; Y12-A39 HydrophobicContact CG-CB 3.62Å; Y12-E43 VanDerWaalsContact CE1-OE2 3.24Å; Y12-E43 WeakPolarHBondContact CE1-OE2 3.36Å; Y12-E43 HydrophobicContact CE2-CB 4.37Å; Y12-E43 WeakPolarHBondContact OH-CG 3.47Å; Y12-E43 PolarHBondContact OH-OE1 2.85Å; Y12-L47 HydrophobicContact CD2-CD1 3.85Å; Y12-L47 HydrophobicContact CE2-CD1 3.8Å
13E95Very high93.6Very high83 Ų8339.3 Ų39.339%0.38821%0.206SC..  trans-68.4139.3166.2-67.1-170.8-148.700110Y15 T37 S38 F75E13-Y15 HydrophobicContact CB-CE2 3.8Å; E13-Y15 WeakPolarHBondContact OE2-CE2 3.23Å; E13-Y15 PolarHBondContact OE2-OH 2.93Å; E13-T37 CarbonylContact O-C 3.57Å; E13-T37 WeakPolarHBondContact O-CA 3.36Å; E13-T37 VanDerWaalsContact O-CB 3.26Å; E13-T37 WeakPolarHBondContact O-CB 3.35Å; E13-T37 PolarHBondContact O-OG1 3.07Å; E13-S38 PolarHBondContact N-OG 3Å; E13-S38 PolarHBondContact O-N 3.25Å; E13-F75 HydrophobicContact CB-CE2 3.99Å; E13-F75 HydrophobicContact CB-CZ 4.21Å
14A96Very high93.7Very high0 Ų043.6 Ų43.60%023%0.228CC..EExtended strand (participates in β ladder)trans-152.8133.2177.400000110.7L4 L7 Q8 I35 A36L4-A14 HydrophobicContact CG-CB 4.06Å; L7-A14 HydrophobicContact CB-CB 3.72Å; L7-A14 HydrophobicContact CD1-CB 3.68Å; L7-A14 HydrophobicContact CG-CB 4.34Å; Q8-A14 PolarHBondContact NE2-O 3.13Å; A14-I35 HydrophobicContact CB-CG2 4.48Å; A14-A36 WeakPolarHBondContact CA-O 3.38Å
15Y96.3Very high93.7Very high39 Ų3946.7 Ų46.715%0.15324%0.244CC..EExtended strand (participates in β ladder)trans-141.8148.7-176.7-49.8-85.9000110.9E13 I35 A36 F75 L96 A111 V112 I119E13-Y15 HydrophobicContact CB-CE2 3.8Å; E13-Y15 WeakPolarHBondContact OE2-CE2 3.23Å; E13-Y15 PolarHBondContact OE2-OH 2.93Å; Y15-I35 CarbonylContact O-C 3.51Å; Y15-I35 WeakPolarHBondContact O-CA 3.45Å; Y15-A36 PolarHBondContact N-O 3.35Å; Y15-A36 PolarHBondContact O-N 3.44Å; Y15-F75 HydrophobicContact CD2-CE1 4.25Å; Y15-F75 AromaticContact CD2-CZ 3.73Å; Y15-F75 HydrophobicContact CD2-CZ 3.73Å; Y15-F75 AromaticContact CE2-CZ 3.77Å; Y15-F75 HydrophobicContact CE2-CZ 3.77Å; Y15-L96 HydrophobicContact CD2-CD1 3.84Å; Y15-L96 HydrophobicContact CD2-CD2 3.85Å; Y15-L96 HydrophobicContact CD2-CG 4.31Å; Y15-L96 HydrophobicContact CE1-CD2 4.42Å; Y15-L96 HydrophobicContact CE2-CB 4.22Å; Y15-L96 HydrophobicContact CE2-CD1 4.24Å; Y15-L96 HydrophobicContact CE2-CD2 3.68Å; Y15-L96 HydrophobicContact CE2-CG 4.25Å; Y15-L96 HydrophobicContact CG-CD2 4.27Å; Y15-A111 HydrophobicContact CG-CB 4.3Å; Y15-V112 WeakPolarHBondContact CA-O 3.32Å; Y15-I119 HydrophobicContact CD1-CD1 3.75Å; Y15-I119 HydrophobicContact CE1-CD1 3.38Å
16Y94.8Very high93.7Very high18 Ų1842.1 Ų42.17%0.07123%0.23CC..EExtended strand (participates in β ladder)trans-70142.2161.3-61.7-65.9000109.4M1 L4 V21 V33 D34 I35 A111 V112M1-Y16 WeakPolarHBondContact CB-OH 3.32Å; M1-Y16 HydrophobicContact CE-CE1 4.12Å; M1-Y16 HydrophobicContact CE-CE2 3.69Å; M1-Y16 VanDerWaalsContact CE-CZ 3.43Å; M1-Y16 WeakPolarHBondContact CE-OH 3.41Å; M1-Y16 HydrophobicContact CG-CE2 4.32Å; M1-Y16 WeakPolarHBondContact CG-OH 3.37Å; M1-Y16 HydrophobicContact SD-CE1 4.45Å; M1-Y16 HydrophobicContact SD-CE2 4.33Å; M1-Y16 PolarHBondContact SD-OH 3.24Å; L4-Y16 HydrophobicContact CD1-CD1 4.28Å; L4-Y16 HydrophobicContact CD1-CE1 3.7Å; L4-Y16 HydrophobicContact CD1-CE2 4.09Å; L4-Y16 HydrophobicContact CD2-CD2 3.72Å; L4-Y16 HydrophobicContact CD2-CE1 4.45Å; L4-Y16 HydrophobicContact CD2-CE2 3.33Å; L4-Y16 HydrophobicContact CD2-CG 4.4Å; L4-Y16 HydrophobicContact CG-CE2 4.29Å; Y16-V21 WeakPolarHBondContact O-CG2 3.45Å; Y16-V33 HydrophobicContact CD1-CG1 3.34Å; Y16-V33 HydrophobicContact CE1-CG1 3.46Å; Y16-V33 VanDerWaalsContact CE1-CG1 3.46Å; Y16-D34 WeakPolarHBondContact CA-O 3.42Å; Y16-I35 HydrophobicContact CD1-CG1 3.86Å; Y16-I35 HydrophobicContact CE1-CD1 4Å; Y16-I35 HydrophobicContact CE1-CG1 3.77Å; Y16-A111 CarbonylContact O-C 3.51Å; Y16-A111 WeakPolarHBondContact O-CA 3.35Å; Y16-V112 PolarHBondContact N-O 3.07Å; Y16-V112 PolarHBondContact O-N 3.36Å
17V94.6Very high93.6Very high2 Ų246 Ų461%0.01225%0.254CS..EExtended strand (participates in β ladder)trans-143.7166.7-175.9-69.10000112.6S20 D34 A36 L100 A111V17-S20 PolarHBondContact O-OG 2.96Å; V17-D34 HydrophobicContact CG2-CB 4.01Å; V17-D34 PolarHBondContact N-O 3.27Å; V17-A36 HydrophobicContact CB-CB 4.35Å; V17-A36 HydrophobicContact CG1-CB 3.73Å; V17-A36 HydrophobicContact CG2-CB 3.71Å; V17-L100 HydrophobicContact CG1-CD2 4.41Å; V17-A111 HydrophobicContact CG1-CB 3.93Å
18G90.2Very high93.2Very high1 Ų149.7 Ų49.71%0.0127%0.27CS..THydrogen-bonded Turntrans78.6-148.3164.700000115.4S20 V21 R22 N108G18-S20 PolarHBondContact O-N 3.34Å; G18-V21 PolarHBondContact O-N 3.05Å; G18-R22 PolarHBondContact O-N 2.59Å; G18-N108 WeakPolarHBondContact CA-O 3.2Å
19G89.4Confident92.8Very high21 Ų2151.1 Ų51.122%0.21629%0.286CS..Hα-helixtrans-60.5-34.6-174.700000112.5V21 R22 D23G19-V21 VanDerWaalsContact C-N 3.35Å; G19-V21 PolarHBondContact O-N 3.13Å; G19-R22 PolarHBondContact O-N 3.16Å; G19-D23 VanDerWaalsContact O-CB 3.31Å; G19-D23 WeakPolarHBondContact O-CB 3.3Å; G19-D23 PolarHBondContact O-N 3.06Å
20S90Very high92.4Very high6 Ų647 Ų474%0.04227%0.268CS..Hα-helixtrans-59.2-43.3177.369.40000112.4V17 G18 D23 I24 D32V17-S20 PolarHBondContact O-OG 2.96Å; G18-S20 PolarHBondContact O-N 3.34Å; S20-D23 PolarHBondContact O-N 3.27Å; S20-I24 VanDerWaalsContact O-CG1 3.26Å; S20-I24 WeakPolarHBondContact O-CG1 3.38Å; S20-I24 PolarHBondContact O-N 2.97Å; S20-D32 WeakPolarHBondContact CB-O 3.32Å
21V93.8Very high91.4Very high2 Ų252.8 Ų52.81%0.01229%0.287CS..Hα-helixtrans-64.3-50.1176.5171.30000110.6Y16 G18 G19 D23 I24 L25 L110 V112Y16-V21 WeakPolarHBondContact O-CG2 3.45Å; G18-V21 PolarHBondContact O-N 3.05Å; G19-V21 VanDerWaalsContact C-N 3.35Å; G19-V21 PolarHBondContact O-N 3.13Å; V21-D23 VanDerWaalsContact C-N 3.3Å; V21-D23 PolarHBondContact O-N 3.36Å; V21-I24 PolarHBondContact O-N 3.37Å; V21-L25 HydrophobicContact CG1-CD1 3.89Å; V21-L25 HydrophobicContact CG1-CG 4.47Å; V21-L25 VanDerWaalsContact O-CG 3.3Å; V21-L25 WeakPolarHBondContact O-CG 3.5Å; V21-L25 PolarHBondContact O-N 3.39Å; V21-L110 HydrophobicContact CG1-CB 3.73Å; V21-L110 HydrophobicContact CG1-CD1 4.43Å; V21-V112 HydrophobicContact CB-CG2 4.32Å; V21-V112 HydrophobicContact CG1-CG2 3.51Å; V21-V112 HydrophobicContact CG2-CB 4.38Å; V21-V112 HydrophobicContact CG2-CG2 3.87Å
22R95Very high90.8Very high19 Ų1955 Ų557%0.07228%0.283CS..Hα-helixtrans-54.8-47.5177.1-178.4-158.362.1-139.8-0.9111.4G18 G19 L25 L26 N108 L128G18-R22 PolarHBondContact O-N 2.59Å; G19-R22 PolarHBondContact O-N 3.16Å; R22-L25 PolarHBondContact O-N 2.86Å; R22-L26 HydrophobicContact CG-CD1 4.02Å; R22-L26 WeakPolarHBondContact O-CG 3.38Å; R22-L26 PolarHBondContact O-N 3.46Å; R22-N108 PolarHBondContact NH1-OD1 2.87Å; R22-L128 HydrophobicContact CG-CD1 3.72Å
23D93.3Very high90.4Very high31 Ų3154.2 Ų54.217%0.16628%0.283CS..Hα-helixtrans-69.9-37.9-174.3-69.3-17.3000111.4G19 S20 V21 L26 N27 K28 I30G19-D23 VanDerWaalsContact O-CB 3.31Å; G19-D23 WeakPolarHBondContact O-CB 3.3Å; G19-D23 PolarHBondContact O-N 3.06Å; S20-D23 PolarHBondContact O-N 3.27Å; V21-D23 VanDerWaalsContact C-N 3.3Å; V21-D23 PolarHBondContact O-N 3.36Å; D23-L26 CarbonylContact O-C 3.58Å; D23-L26 PolarHBondContact O-N 2.96Å; D23-N27 PolarHBondContact O-N 3.38Å; D23-K28 HydrophobicContact CB-CB 4.07Å; D23-K28 PolarHBondContact O-N 3.01Å; D23-I30 HydrophobicContact CB-CG2 3.73Å
24I91.7Very high90.2Very high92 Ų9252.6 Ų52.647%0.47228%0.277SS..Hα-helixtrans-58.2-48.7169.3-70165.3000110.8S20 V21 L26 N27 I30S20-I24 VanDerWaalsContact O-CG1 3.26Å; S20-I24 WeakPolarHBondContact O-CG1 3.38Å; S20-I24 PolarHBondContact O-N 2.97Å; V21-I24 PolarHBondContact O-N 3.37Å; I24-L26 PolarHBondContact O-N 3.38Å; I24-N27 PolarHBondContact O-N 3.01Å; I24-I30 HydrophobicContact CD1-CD1 3.84Å; I24-I30 HydrophobicContact CG1-CD1 3.92Å; I24-I30 HydrophobicContact CG1-CG2 4Å
25L93Very high90.2Very high64 Ų6452.6 Ų52.634%0.33528%0.277SS..Hα-helixtrans-64.4-24.8-179.2-67.9171.9000112.6V21 R22 L110 L125 L128V21-L25 HydrophobicContact CG1-CD1 3.89Å; V21-L25 HydrophobicContact CG1-CG 4.47Å; V21-L25 VanDerWaalsContact O-CG 3.3Å; V21-L25 WeakPolarHBondContact O-CG 3.5Å; V21-L25 PolarHBondContact O-N 3.39Å; R22-L25 PolarHBondContact O-N 2.86Å; L25-L110 HydrophobicContact CD1-CD1 3.74Å; L25-L125 HydrophobicContact CD1-CD2 3.96Å; L25-L128 HydrophobicContact CB-CD2 3.54Å; L25-L128 HydrophobicContact CD1-CD2 3.95Å; L25-L128 HydrophobicContact CG-CD2 4.4Å
26L92.1Very high90.1Very high50 Ų5050.8 Ų50.826%0.26227%0.27SS..THydrogen-bonded Turntrans-90.26.1173.5-68.3175.5000113.9R22 D23 I24 K28 L128 L160 F162R22-L26 HydrophobicContact CG-CD1 4.02Å; R22-L26 WeakPolarHBondContact O-CG 3.38Å; R22-L26 PolarHBondContact O-N 3.46Å; D23-L26 CarbonylContact O-C 3.58Å; D23-L26 PolarHBondContact O-N 2.96Å; I24-L26 PolarHBondContact O-N 3.38Å; L26-K28 HydrophobicContact CB-CD 4.4Å; L26-K28 HydrophobicContact CB-CG 4.12Å; L26-K28 PolarHBondContact O-N 3.45Å; L26-L128 HydrophobicContact CD1-CD1 3.97Å; L26-L128 HydrophobicContact CD2-CD1 3.86Å; L26-L128 HydrophobicContact CD2-CD2 4.48Å; L26-L128 HydrophobicContact CD2-CG 4.04Å; L26-L128 HydrophobicContact CG-CD1 3.86Å; L26-L128 HydrophobicContact CG-CG 4.39Å; L26-L160 HydrophobicContact CD1-CD2 4.18Å; L26-F162 HydrophobicContact CD1-CZ 4.23Å; L26-F162 HydrophobicContact CD2-CZ 4.25Å
27N90.9Very high90.2Very high156 Ų15650 Ų5083%0.83427%0.267SS*.THydrogen-bonded Turntrans54.135.1-173.3-60.3-61.5000113.4D23 I24D23-N27 PolarHBondContact O-N 3.38Å; I24-N27 PolarHBondContact O-N 3.01Å
28K88.4Confident90.3Very high79 Ų7950.2 Ų50.234%0.34327%0.268SS..  trans-95148.7174.2-69-171.7174.5-169.40110.4D23 L26 H159D23-K28 HydrophobicContact CB-CB 4.07Å; D23-K28 PolarHBondContact O-N 3.01Å; L26-K28 HydrophobicContact CB-CD 4.4Å; L26-K28 HydrophobicContact CB-CG 4.12Å; L26-K28 PolarHBondContact O-N 3.45Å; K28-H159 PolarHBondContact NZ-O 3.01Å; K28-H159 VanDerWaalsContact NZ-O 3.16Å
29P85.7Confident90.4Very high102 Ų10250.1 Ų50.166%0.66227%0.268SS*.  trans-62.8141.2171.527.8-33.9000110.1
30I85.2Confident90.6Very high62 Ų6252.1 Ų52.132%0.31827%0.271SS..  trans-108.8144.7173.161.5179000109.6D23 I24 V33D23-I30 HydrophobicContact CB-CG2 3.73Å; I24-I30 HydrophobicContact CD1-CD1 3.84Å; I24-I30 HydrophobicContact CG1-CD1 3.92Å; I24-I30 HydrophobicContact CG1-CG2 4Å; I30-V33 HydrophobicContact CD1-CG2 3.87Å
31H73.6Confident90.7Very high166 Ų16652.4 Ų52.477%0.76927%0.272SS*.SBendtrans-109.5-36.6178-62.5-58000111.9
32D81.9Confident90.6Very high116 Ų11655.8 Ų55.862%0.6230%0.301SS*.  trans-124.8144.8-179.9-56.8-53.4000109.8S20S20-D32 WeakPolarHBondContact CB-O 3.32Å
33V87.3Confident90.6Very high29 Ų2956.8 Ų56.818%0.17631%0.306CS..  trans-120.8113.1-179.9178.70000108.8Y16 I30 I35 Y70 E71Y16-V33 HydrophobicContact CD1-CG1 3.34Å; Y16-V33 HydrophobicContact CE1-CG1 3.46Å; Y16-V33 VanDerWaalsContact CE1-CG1 3.46Å; I30-V33 HydrophobicContact CD1-CG2 3.87Å; V33-I35 HydrophobicContact CG1-CG1 4.48Å; V33-Y70 HydrophobicContact CB-CD1 3.83Å; V33-Y70 HydrophobicContact CB-CE1 4.12Å; V33-Y70 HydrophobicContact CG1-CD1 3.87Å; V33-Y70 HydrophobicContact CG1-CE1 4.12Å; V33-Y70 HydrophobicContact CG2-CE1 4.49Å; V33-E71 PolarHBondContact O-N 3.04Å
34D91.9Very high90.6Very high49 Ų4955.3 Ų55.326%0.26230%0.298SS..EExtended strand (participates in β ladder)trans-91130.3176.5-61.2-39.6000110.1Y16 V17Y16-D34 WeakPolarHBondContact CA-O 3.42Å; V17-D34 HydrophobicContact CG2-CB 4.01Å; V17-D34 PolarHBondContact N-O 3.27Å
35I94.9Very high90.6Very high1 Ų154.2 Ų54.21%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-116.2127175.3-62.6169.1000107.7I3 L4 L7 A14 Y15 Y16 V33 Y70 E71 V72 T73I3-I35 HydrophobicContact CB-CD1 4Å; I3-I35 HydrophobicContact CD1-CD1 4.36Å; I3-I35 HydrophobicContact CG2-CD1 3.65Å; L4-I35 HydrophobicContact CD1-CB 4.3Å; L4-I35 HydrophobicContact CD1-CD1 3.54Å; L4-I35 HydrophobicContact CD1-CG1 3.69Å; L4-I35 HydrophobicContact CD1-CG2 3.64Å; L7-I35 HydrophobicContact CD1-CG2 4.3Å; A14-I35 HydrophobicContact CB-CG2 4.48Å; Y15-I35 CarbonylContact O-C 3.51Å; Y15-I35 WeakPolarHBondContact O-CA 3.45Å; Y16-I35 HydrophobicContact CD1-CG1 3.86Å; Y16-I35 HydrophobicContact CE1-CD1 4Å; Y16-I35 HydrophobicContact CE1-CG1 3.77Å; V33-I35 HydrophobicContact CG1-CG1 4.48Å; I35-Y70 HydrophobicContact CD1-CD1 3.92Å; I35-Y70 HydrophobicContact CD1-CG 4.25Å; I35-E71 PolarHBondContact N-O 2.67Å; I35-V72 HydrophobicContact CB-CG2 4.25Å; I35-V72 HydrophobicContact CD1-CG2 4.37Å; I35-V72 HydrophobicContact CG2-CG1 4.44Å; I35-V72 CarbonylContact O-C 3.57Å; I35-V72 WeakPolarHBondContact O-CA 3.22Å; I35-T73 PolarHBondContact O-N 3.47Å
36A95.5Very high90.6Very high1 Ų158.8 Ų58.81%0.00831%0.31CS..EExtended strand (participates in β ladder)trans-103.6139.6169.300000110.1A14 Y15 V17 T73 F75A14-A36 WeakPolarHBondContact CA-O 3.38Å; Y15-A36 PolarHBondContact N-O 3.35Å; Y15-A36 PolarHBondContact O-N 3.44Å; V17-A36 HydrophobicContact CB-CB 4.35Å; V17-A36 HydrophobicContact CG1-CB 3.73Å; V17-A36 HydrophobicContact CG2-CB 3.71Å; A36-T73 CarbonylContact C-O 3.47Å; A36-T73 VanDerWaalsContact CA-O 3.25Å; A36-T73 WeakPolarHBondContact CA-O 3.5Å; A36-F75 HydrophobicContact CB-CD1 3.76Å; A36-F75 HydrophobicContact CB-CE1 3.53Å
37T96.3Very high90.7Very high0 Ų058 Ų580%031%0.305CS..EExtended strand (participates in β ladder)trans-142.8153.1-176.3-177.30000113.3L7 E13 A39 V44 V72 T73 T74 F75L7-T37 HydrophobicContact CD1-CG2 4.45Å; E13-T37 CarbonylContact O-C 3.57Å; E13-T37 WeakPolarHBondContact O-CA 3.36Å; E13-T37 VanDerWaalsContact O-CB 3.26Å; E13-T37 WeakPolarHBondContact O-CB 3.35Å; E13-T37 PolarHBondContact O-OG1 3.07Å; T37-A39 HydrophobicContact CG2-CB 3.89Å; T37-A39 PolarHBondContact O-N 3.45Å; T37-A39 PolarHBondContact OG1-N 3.5Å; T37-A39 VanDerWaalsContact OG1-N 3.15Å; T37-V44 HydrophobicContact CG2-CG2 4.16Å; T37-V72 HydrophobicContact CG2-CG1 3.51Å; T37-T73 PolarHBondContact N-O 3.48Å; T37-T74 CarbonylContact O-C 3.58Å; T37-T74 VanDerWaalsContact O-CA 3.31Å; T37-T74 WeakPolarHBondContact O-CA 3.48Å; T37-F75 WeakPolarHBondContact O-CG 3.49Å; T37-F75 PolarHBondContact O-N 3.38Å
38S95.6Very high90.8Very high7 Ų751.4 Ų51.45%0.04927%0.269CS..SBendtrans-72.8-7.8168.765.30000113.3Y12 E13 R94Y12-S38 WeakPolarHBondContact CA-OG 3.41Å; E13-S38 PolarHBondContact N-OG 3Å; E13-S38 PolarHBondContact O-N 3.25Å; S38-R94 PolarHBondContact O-NH1 3.37Å
39A94.3Very high90.7Very high0 Ų055.9 Ų55.90%029%0.291CS..SBendtrans-76.5131.5178.200000111.1L7 Y12 T37 E43 V44 T74L7-A39 HydrophobicContact CD2-CB 3.94Å; Y12-A39 HydrophobicContact CD1-CB 3.79Å; Y12-A39 HydrophobicContact CD2-CB 3.86Å; Y12-A39 HydrophobicContact CE1-CB 4.18Å; Y12-A39 HydrophobicContact CE2-CB 4.25Å; Y12-A39 HydrophobicContact CG-CB 3.62Å; T37-A39 HydrophobicContact CG2-CB 3.89Å; T37-A39 PolarHBondContact O-N 3.45Å; T37-A39 PolarHBondContact OG1-N 3.5Å; T37-A39 VanDerWaalsContact OG1-N 3.15Å; A39-E43 VanDerWaalsContact CA-OE2 3.24Å; A39-E43 WeakPolarHBondContact CA-OE2 3.3Å; A39-E43 HydrophobicContact CB-CB 4.24Å; A39-V44 HydrophobicContact CB-CG2 3.78Å; A39-T74 WeakPolarHBondContact O-CB 3.44Å; A39-T74 VanDerWaalsContact O-CG2 3.32Å; A39-T74 WeakPolarHBondContact O-CG2 3.3Å; A39-T74 PolarHBondContact O-OG1 3.15Å
40F92.6Very high91Very high63 Ų6359.5 Ų59.528%0.27629%0.291SS..  trans-68.7158.5173.1-74.7-92.4000111.8A42 E43 V44 T74 F92F40-A42 PolarHBondContact O-N 3.41Å; F40-A42 VanDerWaalsContact O-N 3.11Å; F40-E43 HydrophobicContact CB-CG 4.19Å; F40-E43 WeakPolarHBondContact CD2-OE2 3.34Å; F40-E43 PolarHBondContact N-OE2 3.45Å; F40-E43 WeakPolarHBondContact O-CA 3.48Å; F40-E43 WeakPolarHBondContact O-CB 3.27Å; F40-E43 PolarHBondContact O-N 3.14Å; F40-V44 WeakPolarHBondContact O-CG2 2.99Å; F40-V44 PolarHBondContact O-N 2.9Å; F40-T74 WeakPolarHBondContact CA-OG1 3.44Å; F40-T74 HydrophobicContact CD1-CG2 4.46Å; F40-F92 HydrophobicContact CD1-CB 3.89Å; F40-F92 AromaticContact CD1-CD2 3.61Å; F40-F92 HydrophobicContact CD1-CD2 3.61Å; F40-F92 HydrophobicContact CD1-CG 4.05Å; F40-F92 HydrophobicContact CE1-CB 3.32Å; F40-F92 AromaticContact CE1-CD2 3.68Å; F40-F92 HydrophobicContact CE1-CD2 3.68Å; F40-F92 AromaticContact CE1-CG 3.92Å; F40-F92 HydrophobicContact CE1-CG 3.92Å; F40-F92 HydrophobicContact CZ-CB 4.03Å
41P91.6Very high91.4Very high12 Ų1258.5 Ų58.58%0.07829%0.289CS..Hα-helixtrans-55.7-36.3-177.3-28.838.3000113.7K45 I56 V61 T74 F92P41-K45 VanDerWaalsContact O-CG 3.26Å; P41-K45 WeakPolarHBondContact O-CG 3.47Å; P41-K45 PolarHBondContact O-N 2.93Å; P41-I56 HydrophobicContact CB-CD1 4.36Å; P41-I56 HydrophobicContact CB-CG1 4.11Å; P41-V61 HydrophobicContact CB-CG2 3.79Å; P41-T74 VanDerWaalsContact CD-OG1 3.28Å; P41-T74 WeakPolarHBondContact CD-OG1 3.21Å; P41-F92 HydrophobicContact CG-CE2 4.4Å; P41-F92 HydrophobicContact CG-CZ 4.34Å
42A92Very high92.2Very high73 Ų7354.6 Ų54.660%0.60327%0.272SS*.Hα-helixtrans-66.8-42.7175.300000112.5F40 K45 E46F40-A42 PolarHBondContact O-N 3.41Å; F40-A42 VanDerWaalsContact O-N 3.11Å; A42-K45 PolarHBondContact O-N 2.9Å; A42-E46 PolarHBondContact O-N 2.82Å
43E94.2Very high92.6Very high39 Ų3953 Ų5318%0.18226%0.264CS..Hα-helixtrans-64.2-40.4176.7-61.9170.8157.800110.5Y12 A39 F40 E46 L47 R94Y12-E43 VanDerWaalsContact CE1-OE2 3.24Å; Y12-E43 WeakPolarHBondContact CE1-OE2 3.36Å; Y12-E43 HydrophobicContact CE2-CB 4.37Å; Y12-E43 WeakPolarHBondContact OH-CG 3.47Å; Y12-E43 PolarHBondContact OH-OE1 2.85Å; A39-E43 VanDerWaalsContact CA-OE2 3.24Å; A39-E43 WeakPolarHBondContact CA-OE2 3.3Å; A39-E43 HydrophobicContact CB-CB 4.24Å; F40-E43 HydrophobicContact CB-CG 4.19Å; F40-E43 WeakPolarHBondContact CD2-OE2 3.34Å; F40-E43 PolarHBondContact N-OE2 3.45Å; F40-E43 WeakPolarHBondContact O-CA 3.48Å; F40-E43 WeakPolarHBondContact O-CB 3.27Å; F40-E43 PolarHBondContact O-N 3.14Å; E43-E46 PolarHBondContact O-N 3.36Å; E43-L47 WeakPolarHBondContact O-CG 3.38Å; E43-L47 PolarHBondContact O-N 2.97Å; E43-L47 VanDerWaalsContact O-N 3.08Å; E43-R94 IonicContact OE1-NH2 3.91Å; E43-R94 PolarHBondContact OE1-NH2 3.36Å; E43-R94 VanDerWaalsContact OE1-NH2 3.13Å; E43-R94 IonicContact OE2-NH1 3.4Å; E43-R94 IonicContact OE2-NH2 3.18Å
44V93.5Very high92.3Very high0 Ų055.1 Ų55.10%028%0.276CS..Hα-helixtrans-61.4-44.9174.2177.10000111L7 T37 A39 F40 E46 L47 F48 V61 V63 V72L7-V44 HydrophobicContact CD2-CG2 4.44Å; T37-V44 HydrophobicContact CG2-CG2 4.16Å; A39-V44 HydrophobicContact CB-CG2 3.78Å; F40-V44 WeakPolarHBondContact O-CG2 2.99Å; F40-V44 PolarHBondContact O-N 2.9Å; V44-E46 VanDerWaalsContact C-N 3.31Å; V44-E46 PolarHBondContact O-N 2.92Å; V44-L47 PolarHBondContact O-N 3.23Å; V44-F48 HydrophobicContact CG1-CD2 3.94Å; V44-F48 HydrophobicContact CG1-CE2 4.4Å; V44-F48 VanDerWaalsContact O-CD2 3.29Å; V44-F48 WeakPolarHBondContact O-CD2 3.18Å; V44-F48 PolarHBondContact O-N 3.32Å; V44-V61 HydrophobicContact CG1-CB 4.23Å; V44-V61 HydrophobicContact CG1-CG1 4.31Å; V44-V63 HydrophobicContact CG1-CG2 3.99Å; V44-V72 HydrophobicContact CG1-CB 4.26Å; V44-V72 HydrophobicContact CG1-CG1 4.07Å; V44-V72 HydrophobicContact CG2-CG1 3.99Å
45K92.7Very high91.8Very high69 Ų6953.7 Ų53.730%0.327%0.273SS..Hα-helixtrans-65-33.5178.1-72.5173.9179.5-167.60113.3P41 A42 F48 T51 D53 I56 V61P41-K45 VanDerWaalsContact O-CG 3.26Å; P41-K45 WeakPolarHBondContact O-CG 3.47Å; P41-K45 PolarHBondContact O-N 2.93Å; A42-K45 PolarHBondContact O-N 2.9Å; K45-F48 VanDerWaalsContact O-O 3.07Å; K45-T51 HydrophobicContact CG-CG2 4.47Å; K45-D53 WeakPolarHBondContact CE-OD1 3.48Å; K45-D53 IonicContact NZ-OD1 3.64Å; K45-D53 PolarHBondContact NZ-OD1 3.33Å; K45-D53 IonicContact NZ-OD2 2.72Å; K45-D53 PolarHBondContact NZ-OD2 2.92Å; K45-I56 VanDerWaalsContact NZ-CD1 3.29Å; K45-V61 HydrophobicContact CG-CG1 4.28Å
46E93.6Very high90.8Very high161 Ų16156.9 Ų56.975%0.75229%0.29SS*.Hα-helixtrans-67.3-39.6174.4-172175.1-176.200111.2A42 E43 V44A42-E46 PolarHBondContact O-N 2.82Å; E43-E46 PolarHBondContact O-N 3.36Å; V44-E46 VanDerWaalsContact C-N 3.31Å; V44-E46 PolarHBondContact O-N 2.92Å
47L93Very high89.9Confident33 Ų3363.5 Ų63.517%0.17333%0.325CS..Hα-helixtrans-72.6-31.7178.6-69.3174.7000113.6K6 L7 A10 Y12 E43 V44K6-L47 WeakPolarHBondContact CE-O 3.4Å; K6-L47 PolarHBondContact NZ-O 3.36Å; L7-L47 HydrophobicContact CD2-CD1 3.76Å; A10-L47 HydrophobicContact CB-CD1 3.75Å; A10-L47 HydrophobicContact CB-CD2 3.52Å; A10-L47 HydrophobicContact CB-CG 4.28Å; Y12-L47 HydrophobicContact CD2-CD1 3.85Å; Y12-L47 HydrophobicContact CE2-CD1 3.8Å; E43-L47 WeakPolarHBondContact O-CG 3.38Å; E43-L47 PolarHBondContact O-N 2.97Å; E43-L47 VanDerWaalsContact O-N 3.08Å; V44-L47 PolarHBondContact O-N 3.23Å
48F93Very high89.1Confident17 Ų1768.4 Ų68.48%0.07535%0.348CS..  trans-120.4118.5-173.9-61.4-80.3000112.3I3 K6 L7 V44 K45 R50 T51 V63I3-F48 HydrophobicContact CB-CE1 4.3Å; I3-F48 HydrophobicContact CB-CZ 4.17Å; I3-F48 HydrophobicContact CG1-CE1 4.02Å; I3-F48 HydrophobicContact CG1-CZ 4.35Å; I3-F48 HydrophobicContact CG2-CE1 4.2Å; I3-F48 HydrophobicContact CG2-CE2 4.24Å; I3-F48 HydrophobicContact CG2-CZ 3.66Å; K6-F48 HydrophobicContact CB-CE1 4.05Å; K6-F48 HydrophobicContact CB-CZ 3.94Å; K6-F48 HydrophobicContact CD-CD1 4.02Å; K6-F48 HydrophobicContact CD-CE1 3.57Å; K6-F48 HydrophobicContact CD-CZ 4.03Å; K6-F48 HydrophobicContact CG-CE1 4.23Å; K6-F48 HydrophobicContact CG-CZ 4.24Å; L7-F48 HydrophobicContact CD1-CE2 4.47Å; L7-F48 HydrophobicContact CD2-CE2 4.02Å; L7-F48 HydrophobicContact CG-CE2 3.97Å; L7-F48 HydrophobicContact CG-CZ 4.14Å; V44-F48 HydrophobicContact CG1-CD2 3.94Å; V44-F48 HydrophobicContact CG1-CE2 4.4Å; V44-F48 VanDerWaalsContact O-CD2 3.29Å; V44-F48 WeakPolarHBondContact O-CD2 3.18Å; V44-F48 PolarHBondContact O-N 3.32Å; K45-F48 VanDerWaalsContact O-O 3.07Å; F48-R50 VanDerWaalsContact C-N 3.3Å; F48-R50 PolarHBondContact O-N 2.84Å; F48-T51 HydrophobicContact CB-CG2 3.92Å; F48-T51 WeakPolarHBondContact O-CG2 3.28Å; F48-V63 HydrophobicContact CB-CG1 3.86Å; F48-V63 HydrophobicContact CB-CG2 4.29Å; F48-V63 HydrophobicContact CD1-CG1 3.62Å; F48-V63 HydrophobicContact CD2-CG1 4.27Å; F48-V63 HydrophobicContact CD2-CG2 3.97Å; F48-V63 HydrophobicContact CE1-CG1 4.24Å; F48-V63 HydrophobicContact CG-CG1 3.65Å; F48-V63 HydrophobicContact CG-CG2 4.1Å
49H86.2Confident88.6Confident174 Ų17468 Ų6881%0.80635%0.345SS*.SBendtrans-68.3-21-175.5-55-55.9000115.4
50R92.7Very high88.5Confident177 Ų17768.8 Ų68.867%0.66835%0.35SS*.SBendtrans-122.698.8-179.3-69.9-172.7178.5-172.5-1.7109.7F48 I64F48-R50 VanDerWaalsContact C-N 3.3Å; F48-R50 PolarHBondContact O-N 2.84Å; R50-I64 HydrophobicContact CB-CB 4.12Å; R50-I64 PolarHBondContact O-N 3.01Å
51T92.6Very high88.5Confident42 Ų4265.8 Ų65.826%0.25834%0.337SS..EExtended strand (participates in β ladder)trans-131.4148.8-179.755.20000111.6K45 F48 V61 M62 V63K45-T51 HydrophobicContact CG-CG2 4.47Å; F48-T51 HydrophobicContact CB-CG2 3.92Å; F48-T51 WeakPolarHBondContact O-CG2 3.28Å; T51-V61 HydrophobicContact CG2-CG1 3.8Å; T51-M62 CarbonylContact C-O 3.48Å; T51-M62 WeakPolarHBondContact CA-O 3.2Å; T51-V63 HydrophobicContact CG2-CG2 4.22Å
52I91.3Very high88.6Confident84 Ų8467.1 Ų67.143%0.43134%0.342SS..EExtended strand (participates in β ladder)trans-122.1138.5169.8-60.7-179.7000108.6V54 M62 I64I52-V54 HydrophobicContact CB-CG2 4.32Å; I52-V54 HydrophobicContact CG2-CG2 3.92Å; I52-V54 PolarHBondContact O-N 3.22Å; I52-M62 HydrophobicContact CB-CB 4.35Å; I52-M62 PolarHBondContact N-O 3.47Å; I52-M62 PolarHBondContact O-N 2.9Å; I52-I64 HydrophobicContact CD1-CD1 3.6Å; I52-I64 HydrophobicContact CG1-CD1 3.8Å
53D89.5Confident88.7Confident83 Ų8363.7 Ų63.744%0.44431%0.314SS..EExtended strand (participates in β ladder)trans-80.8107.3174.8-66.6-3.8000108.9K45K45-D53 WeakPolarHBondContact CE-OD1 3.48Å; K45-D53 IonicContact NZ-OD1 3.64Å; K45-D53 PolarHBondContact NZ-OD1 3.33Å; K45-D53 IonicContact NZ-OD2 2.72Å; K45-D53 PolarHBondContact NZ-OD2 2.92Å
54V82.4Confident88.5Confident72 Ų7264.6 Ų64.644%0.43632%0.319SS..EExtended strand (participates in β ladder)trans-107.6-11.9-177.3-175.30000111.9I52 M62I52-V54 HydrophobicContact CB-CG2 4.32Å; I52-V54 HydrophobicContact CG2-CG2 3.92Å; I52-V54 PolarHBondContact O-N 3.22Å; V54-M62 HydrophobicContact CB-CB 4.38Å; V54-M62 HydrophobicContact CG1-CE 4.47Å; V54-M62 HydrophobicContact CG2-CB 3.46Å; V54-M62 VanDerWaalsContact CG2-CB 3.46Å; V54-M62 HydrophobicContact CG2-CE 3.89Å; V54-M62 HydrophobicContact CG2-CG 4.4Å; V54-M62 HydrophobicContact CG2-SD 4.15Å
55G79.4Confident88.1Confident19 Ų1966.1 Ų66.120%0.19633%0.329CS..EExtended strand (participates in β ladder)trans179.362.8173.700000110.4D57 H58 G59 T60G55-D57 PolarHBondContact O-N 3.12Å; G55-H58 CarbonylContact O-C 3.5Å; G55-H58 WeakPolarHBondContact O-CA 3.46Å; G55-H58 WeakPolarHBondContact O-CB 3.48Å; G55-H58 PolarHBondContact O-N 2.92Å; G55-G59 PolarHBondContact O-N 3.44Å; G55-G59 VanDerWaalsContact O-N 3.14Å; G55-T60 CarbonylContact C-O 3.51Å; G55-T60 PolarHBondContact N-O 3.36Å; G55-T60 PolarHBondContact O-N 2.93Å
56I75.5Confident87.7Confident68 Ų6872.9 Ų72.935%0.34936%0.358SS..G310 helixtrans-63.9-31.6-173-161.2157.9000112.6P41 K45 H58 G59P41-I56 HydrophobicContact CB-CD1 4.36Å; P41-I56 HydrophobicContact CB-CG1 4.11Å; K45-I56 VanDerWaalsContact NZ-CD1 3.29Å; I56-H58 PolarHBondContact O-N 2.9Å; I56-G59 PolarHBondContact O-N 3.35Å
57D76.9Confident87.1Confident140 Ų14072.9 Ų72.975%0.74936%0.358SS*.G310 helixtrans-61.6-21.9172-60.1-23.6000112.5G55G55-D57 PolarHBondContact O-N 3.12Å
58H78.8Confident86.7Confident103 Ų10373.2 Ų73.248%0.47737%0.366SS..G310 helixtrans-104.42.9177.2-66.8-44.2000113.1G55 I56 T60 R76G55-H58 CarbonylContact O-C 3.5Å; G55-H58 WeakPolarHBondContact O-CA 3.46Å; G55-H58 WeakPolarHBondContact O-CB 3.48Å; G55-H58 PolarHBondContact O-N 2.92Å; I56-H58 PolarHBondContact O-N 2.9Å; H58-T60 VanDerWaalsContact C-N 3.35Å; H58-R76 PolarHBondContact O-NH1 2.98Å
59G85Confident86.5Confident0 Ų076 Ų760%038%0.384CS..THydrogen-bonded Turntrans78.312.4-17900000115G55 I56 T73 T74 F92G55-G59 PolarHBondContact O-N 3.44Å; G55-G59 VanDerWaalsContact O-N 3.14Å; I56-G59 PolarHBondContact O-N 3.35Å; G59-T73 WeakPolarHBondContact O-CA 3.5Å; G59-T74 PolarHBondContact O-N 3.12Å; G59-F92 VanDerWaalsContact CA-CE1 3.5Å
60T91.6Very high86.7Confident16 Ų1669 Ų6910%0.09835%0.351CS..EExtended strand (participates in β ladder)trans-96.9123.9-177.5-55.80000112G55 H58 E71 V72 T73G55-T60 CarbonylContact C-O 3.51Å; G55-T60 PolarHBondContact N-O 3.36Å; G55-T60 PolarHBondContact O-N 2.93Å; H58-T60 VanDerWaalsContact C-N 3.35Å; T60-E71 HydrophobicContact CG2-CB 4.16Å; T60-V72 WeakPolarHBondContact CA-O 3.41Å; T60-T73 WeakPolarHBondContact CG2-OG1 3.19Å; T60-T73 WeakPolarHBondContact OG1-CG2 3.38Å; T60-T73 PolarHBondContact OG1-OG1 2.93Å
61V93Very high86.7Confident0 Ų063.7 Ų63.70%033%0.334CS..EExtended strand (participates in β ladder)trans-121.1125.6173.7-176.80000108.8P41 V44 K45 T51 V72P41-V61 HydrophobicContact CB-CG2 3.79Å; V44-V61 HydrophobicContact CG1-CB 4.23Å; V44-V61 HydrophobicContact CG1-CG1 4.31Å; K45-V61 HydrophobicContact CG-CG1 4.28Å; T51-V61 HydrophobicContact CG2-CG1 3.8Å; V61-V72 PolarHBondContact N-O 3.26Å; V61-V72 PolarHBondContact O-N 2.97Å
62M93.8Very high86.8Confident39 Ų3961.7 Ų61.719%0.19232%0.321CS..EExtended strand (participates in β ladder)trans-82.8119.8173.9-178.9-178.5-76.300109.5T51 I52 V54 T69 Y70 E71T51-M62 CarbonylContact C-O 3.48Å; T51-M62 WeakPolarHBondContact CA-O 3.2Å; I52-M62 HydrophobicContact CB-CB 4.35Å; I52-M62 PolarHBondContact N-O 3.47Å; I52-M62 PolarHBondContact O-N 2.9Å; V54-M62 HydrophobicContact CB-CB 4.38Å; V54-M62 HydrophobicContact CG1-CE 4.47Å; V54-M62 HydrophobicContact CG2-CB 3.46Å; V54-M62 VanDerWaalsContact CG2-CB 3.46Å; V54-M62 HydrophobicContact CG2-CE 3.89Å; V54-M62 HydrophobicContact CG2-CG 4.4Å; V54-M62 HydrophobicContact CG2-SD 4.15Å; M62-T69 HydrophobicContact SD-CG2 4.48Å; M62-Y70 CarbonylContact C-O 3.58Å; M62-Y70 WeakPolarHBondContact CA-O 3.28Å; M62-E71 HydrophobicContact CE-CG 4.32Å
63V93.2Very high87Confident1 Ų158.6 Ų58.61%0.00631%0.307CS..EExtended strand (participates in β ladder)trans-97.6124.6177.5177.50000109.4I3 V44 F48 T51 T69 Y70 V72I3-V63 HydrophobicContact CD1-CB 3.99Å; I3-V63 HydrophobicContact CD1-CG1 3.74Å; I3-V63 HydrophobicContact CG1-CG1 4.28Å; V44-V63 HydrophobicContact CG1-CG2 3.99Å; F48-V63 HydrophobicContact CB-CG1 3.86Å; F48-V63 HydrophobicContact CB-CG2 4.29Å; F48-V63 HydrophobicContact CD1-CG1 3.62Å; F48-V63 HydrophobicContact CD2-CG1 4.27Å; F48-V63 HydrophobicContact CD2-CG2 3.97Å; F48-V63 HydrophobicContact CE1-CG1 4.24Å; F48-V63 HydrophobicContact CG-CG1 3.65Å; F48-V63 HydrophobicContact CG-CG2 4.1Å; T51-V63 HydrophobicContact CG2-CG2 4.22Å; V63-T69 WeakPolarHBondContact O-CA 3.48Å; V63-Y70 PolarHBondContact N-O 2.84Å; V63-Y70 PolarHBondContact O-N 3.49Å; V63-V72 HydrophobicContact CB-CG2 4.22Å; V63-V72 HydrophobicContact CG2-CB 4.22Å; V63-V72 HydrophobicContact CG2-CG2 3.58Å
64I90.5Very high87.2Confident58 Ų5854.7 Ų54.730%0.29729%0.286SS..EExtended strand (participates in β ladder)trans-100.7116.6-179.3-55.4171.8000109.3R50 I52 T69R50-I64 HydrophobicContact CB-CB 4.12Å; R50-I64 PolarHBondContact O-N 3.01Å; I52-I64 HydrophobicContact CD1-CD1 3.6Å; I52-I64 HydrophobicContact CG1-CD1 3.8Å; I64-T69 HydrophobicContact CG1-CG2 4.07Å; I64-T69 HydrophobicContact CG2-CG2 4.33Å
65T86.2Confident87.7Confident33 Ų3351.3 Ų51.320%0.20227%0.265CS..  trans-101.9176.117173.70000110.5I3 E67 A68 Y70I3-T65 HydrophobicContact CD1-CG2 3.84Å; I3-T65 HydrophobicContact CG1-CG2 4Å; T65-E67 PolarHBondContact O-N 2.91Å; T65-E67 PolarHBondContact OG1-N 2.8Å; T65-A68 WeakPolarHBondContact CB-O 3.26Å; T65-A68 PolarHBondContact N-O 3.09Å; T65-A68 PolarHBondContact OG1-N 3.01Å; T65-A68 VanDerWaalsContact OG1-N 3.11Å; T65-A68 PolarHBondContact OG1-O 2.77Å; T65-Y70 HydrophobicContact CG2-CD2 4.19Å; T65-Y70 HydrophobicContact CG2-CE2 4.1Å
66K83Confident88.2Confident210 Ų21052.2 Ų52.291%0.91326%0.263SS*.SBendtrans-65.2-26174.9-70.6-175.21791800113
67E81.6Confident88.7Confident161 Ų16150.7 Ų50.775%0.75226%0.256SS*.SBendtrans-101.6-38.4-169.3-67.7155.8-162.600111.9T65T65-E67 PolarHBondContact O-N 2.91Å; T65-E67 PolarHBondContact OG1-N 2.8Å
68A84.5Confident88.9Confident40 Ų4045.8 Ų45.833%0.33123%0.229SC..  trans-160167.2-174.700000112.4T65 Y70T65-A68 WeakPolarHBondContact CB-O 3.26Å; T65-A68 PolarHBondContact N-O 3.09Å; T65-A68 PolarHBondContact OG1-N 3.01Å; T65-A68 VanDerWaalsContact OG1-N 3.11Å; T65-A68 PolarHBondContact OG1-O 2.77Å; A68-Y70 HydrophobicContact CB-CD2 4.44Å; A68-Y70 HydrophobicContact CB-CE2 3.72Å
69T88.6Confident88.8Confident76 Ų7642.8 Ų42.847%0.46622%0.22SC..EExtended strand (participates in β ladder)trans-100.5143.4169.451.30000110.2M62 V63 I64M62-T69 HydrophobicContact SD-CG2 4.48Å; V63-T69 WeakPolarHBondContact O-CA 3.48Å; I64-T69 HydrophobicContact CG1-CG2 4.07Å; I64-T69 HydrophobicContact CG2-CG2 4.33Å
70Y91Very high88.2Confident28 Ų2847.6 Ų47.611%0.1125%0.249CC..EExtended strand (participates in β ladder)trans-134.7136.5-179.8-61-100.4000109.9I3 V33 I35 M62 V63 T65 A68I3-Y70 HydrophobicContact CD1-CD1 4.25Å; I3-Y70 HydrophobicContact CD1-CD2 3.19Å; I3-Y70 HydrophobicContact CD1-CE2 3.89Å; I3-Y70 HydrophobicContact CD1-CG 3.4Å; I3-Y70 VanDerWaalsContact CD1-CG 3.4Å; I3-Y70 HydrophobicContact CG1-CD2 4.37Å; V33-Y70 HydrophobicContact CB-CD1 3.83Å; V33-Y70 HydrophobicContact CB-CE1 4.12Å; V33-Y70 HydrophobicContact CG1-CD1 3.87Å; V33-Y70 HydrophobicContact CG1-CE1 4.12Å; V33-Y70 HydrophobicContact CG2-CE1 4.49Å; I35-Y70 HydrophobicContact CD1-CD1 3.92Å; I35-Y70 HydrophobicContact CD1-CG 4.25Å; M62-Y70 CarbonylContact C-O 3.58Å; M62-Y70 WeakPolarHBondContact CA-O 3.28Å; V63-Y70 PolarHBondContact N-O 2.84Å; V63-Y70 PolarHBondContact O-N 3.49Å; T65-Y70 HydrophobicContact CG2-CD2 4.19Å; T65-Y70 HydrophobicContact CG2-CE2 4.1Å; A68-Y70 HydrophobicContact CB-CD2 4.44Å; A68-Y70 HydrophobicContact CB-CE2 3.72Å
71E93Very high87.8Confident64 Ų6448.3 Ų48.330%0.29925%0.25SS..EExtended strand (participates in β ladder)trans-88112.2173.6-64.9-164.7176.100109.3V33 I35 T60 M62V33-E71 PolarHBondContact O-N 3.04Å; I35-E71 PolarHBondContact N-O 2.67Å; T60-E71 HydrophobicContact CG2-CB 4.16Å; M62-E71 HydrophobicContact CE-CG 4.32Å
72V94.5Very high86.9Confident0 Ų055.4 Ų55.40%028%0.284CS..EExtended strand (participates in β ladder)trans-102.5114.2178.4-177.10000108.4I3 L7 I35 T37 V44 T60 V61 V63I3-V72 HydrophobicContact CG2-CG2 3.99Å; L7-V72 HydrophobicContact CD1-CG1 4.24Å; I35-V72 HydrophobicContact CB-CG2 4.25Å; I35-V72 HydrophobicContact CD1-CG2 4.37Å; I35-V72 HydrophobicContact CG2-CG1 4.44Å; I35-V72 CarbonylContact O-C 3.57Å; I35-V72 WeakPolarHBondContact O-CA 3.22Å; T37-V72 HydrophobicContact CG2-CG1 3.51Å; V44-V72 HydrophobicContact CG1-CB 4.26Å; V44-V72 HydrophobicContact CG1-CG1 4.07Å; V44-V72 HydrophobicContact CG2-CG1 3.99Å; T60-V72 WeakPolarHBondContact CA-O 3.41Å; V61-V72 PolarHBondContact N-O 3.26Å; V61-V72 PolarHBondContact O-N 2.97Å; V63-V72 HydrophobicContact CB-CG2 4.22Å; V63-V72 HydrophobicContact CG2-CB 4.22Å; V63-V72 HydrophobicContact CG2-CG2 3.58Å
73T94.2Very high86.2Confident20 Ų2057 Ų5712%0.12329%0.293CS..EExtended strand (participates in β ladder)trans-113.6129.1-177.7-56.90000111I35 A36 T37 G59 T60I35-T73 PolarHBondContact O-N 3.47Å; A36-T73 CarbonylContact C-O 3.47Å; A36-T73 VanDerWaalsContact CA-O 3.25Å; A36-T73 WeakPolarHBondContact CA-O 3.5Å; T37-T73 PolarHBondContact N-O 3.48Å; G59-T73 WeakPolarHBondContact O-CA 3.5Å; T60-T73 WeakPolarHBondContact CG2-OG1 3.19Å; T60-T73 WeakPolarHBondContact OG1-CG2 3.38Å; T60-T73 PolarHBondContact OG1-OG1 2.93Å
74T94.3Very high85.6Confident1 Ų160.5 Ų60.51%0.00631%0.306CS..EExtended strand (participates in β ladder)trans-65.1138.9173.4-54.90000110.3T37 A39 F40 P41 G59 R76 F92T37-T74 CarbonylContact O-C 3.58Å; T37-T74 VanDerWaalsContact O-CA 3.31Å; T37-T74 WeakPolarHBondContact O-CA 3.48Å; A39-T74 WeakPolarHBondContact O-CB 3.44Å; A39-T74 VanDerWaalsContact O-CG2 3.32Å; A39-T74 WeakPolarHBondContact O-CG2 3.3Å; A39-T74 PolarHBondContact O-OG1 3.15Å; F40-T74 WeakPolarHBondContact CA-OG1 3.44Å; F40-T74 HydrophobicContact CD1-CG2 4.46Å; P41-T74 VanDerWaalsContact CD-OG1 3.28Å; P41-T74 WeakPolarHBondContact CD-OG1 3.21Å; G59-T74 PolarHBondContact O-N 3.12Å; T74-R76 PolarHBondContact O-N 2.82Å; T74-F92 HydrophobicContact CG2-CB 4.03Å; T74-F92 HydrophobicContact CG2-CD1 4.03Å; T74-F92 HydrophobicContact CG2-CG 4.05Å
75F93.8Very high84.9Confident0 Ų060.5 Ų60.50%030%0.303CS..  trans-53.4134.2172.2-62.5-28.5000109.7E13 Y15 A36 T37 F92 V93 L96 D99E13-F75 HydrophobicContact CB-CE2 3.99Å; E13-F75 HydrophobicContact CB-CZ 4.21Å; Y15-F75 HydrophobicContact CD2-CE1 4.25Å; Y15-F75 AromaticContact CD2-CZ 3.73Å; Y15-F75 HydrophobicContact CD2-CZ 3.73Å; Y15-F75 AromaticContact CE2-CZ 3.77Å; Y15-F75 HydrophobicContact CE2-CZ 3.77Å; A36-F75 HydrophobicContact CB-CD1 3.76Å; A36-F75 HydrophobicContact CB-CE1 3.53Å; T37-F75 WeakPolarHBondContact O-CG 3.49Å; T37-F75 PolarHBondContact O-N 3.38Å; F75-F92 WeakPolarHBondContact O-CA 3.25Å; F75-V93 HydrophobicContact CB-CG2 4.03Å; F75-V93 WeakPolarHBondContact CB-O 3.46Å; F75-V93 PolarHBondContact O-N 2.91Å; F75-L96 HydrophobicContact CE1-CB 4.47Å; F75-L96 HydrophobicContact CE1-CD1 3.76Å; F75-L96 HydrophobicContact CE2-CB 4.2Å; F75-L96 HydrophobicContact CZ-CB 4.06Å; F75-L96 HydrophobicContact CZ-CD1 4.02Å; F75-D99 HydrophobicContact CB-CB 4.07Å; F75-D99 HydrophobicContact CD1-CB 3.9Å; F75-D99 HydrophobicContact CG-CB 4.23Å
76R89.2Confident84.5Confident39 Ų3965.4 Ų65.415%0.14732%0.318CS..EExtended strand (participates in β ladder)trans-141.6153.8-17769-166.6-160.2-160.50.6111.2H58 T74 E78 V90 E91 F92 D99 R102H58-R76 PolarHBondContact O-NH1 2.98Å; T74-R76 PolarHBondContact O-N 2.82Å; R76-E78 IonicContact NH2-OE1 3.95Å; R76-V90 HydrophobicContact CB-CG1 3.78Å; R76-V90 HydrophobicContact CG-CG1 4.09Å; R76-E91 CarbonylContact C-O 3.55Å; R76-E91 WeakPolarHBondContact CA-O 3.43Å; R76-F92 HydrophobicContact CB-CD1 4.18Å; R76-D99 PolarHBondContact N-OD1 3.17Å; R76-D99 WeakPolarHBondContact O-CA 3.24Å; R76-R102 VanDerWaalsContact NH2-NH1 3.2Å; R76-R102 WeakPolarHBondContact O-CD 3.25Å; R76-R102 PolarHBondContact O-NE 3.19Å
77T86.1Confident84Confident35 Ų3556.9 Ų56.922%0.21528%0.283CS..EExtended strand (participates in β ladder)trans-112.4155.8164.8-167.70000109.2E91 V93T77-E91 HydrophobicContact CG2-CB 3.88Å; T77-E91 PolarHBondContact N-O 3.43Å; T77-E91 PolarHBondContact O-N 3.16Å; T77-E91 VanDerWaalsContact O-N 3.14Å; T77-V93 HydrophobicContact CG2-CG1 3.65Å
78E81.5Confident83.7Confident38 Ų3851.8 Ų51.818%0.17826%0.262CS..EExtended strand (participates in β ladder)trans-109.7132.8-178.7-68.7170.9173.400107.9R76 Y81 P87 R102 R149R76-E78 IonicContact NH2-OE1 3.95Å; E78-Y81 HydrophobicContact CB-CE2 4.11Å; E78-Y81 PolarHBondContact OE2-OH 3.32Å; E78-P87 HydrophobicContact CB-CB 4.02Å; E78-P87 HydrophobicContact CB-CG 4.23Å; E78-P87 HydrophobicContact CG-CB 4.47Å; E78-P87 HydrophobicContact CG-CG 4.13Å; E78-R102 HydrophobicContact CG-CB 4.25Å; E78-R102 IonicContact OE1-NH1 3.93Å; E78-R149 IonicContact OE2-NH2 3.66Å; E78-R149 PolarHBondContact OE2-NH2 3.24Å
79S76.2Confident83.3Confident40 Ų4056.3 Ų56.328%0.2828%0.275SS..  trans-81.1-169.8174.572.80000111.7Y81 D88 H89S79-Y81 VanDerWaalsContact O-CD2 3.28Å; S79-Y81 WeakPolarHBondContact O-CD2 3.4Å; S79-Y81 WeakPolarHBondContact O-CE2 3.4Å; S79-D88 PolarHBondContact OG-N 3.15Å; S79-H89 PolarHBondContact N-O 3.31Å; S79-H89 VanDerWaalsContact N-O 3.15Å; S79-H89 PolarHBondContact OG-N 2.9Å; S79-H89 PolarHBondContact OG-O 3.32Å; S79-H89 VanDerWaalsContact OG-O 3.07Å
80T73.7Confident82.9Confident101 Ų10154.7 Ų54.762%0.6227%0.266SS*.  trans-55.4147.7175.642.70000112.8D88T80-D88 VanDerWaalsContact O-CG 3.23Å; T80-D88 PolarHBondContact O-N 2.88Å; T80-D88 PolarHBondContact OG1-OD2 3.14Å; T80-D88 VanDerWaalsContact OG1-OD2 3.12Å
81Y81.4Confident82.5Confident31 Ų3159.5 Ų59.512%0.12229%0.289CS..BIsolated β-bridgetrans-108.3120.9176.4-73.9-112.6000109E78 S79 R86 P87 E145 D146E78-Y81 HydrophobicContact CB-CE2 4.11Å; E78-Y81 PolarHBondContact OE2-OH 3.32Å; S79-Y81 VanDerWaalsContact O-CD2 3.28Å; S79-Y81 WeakPolarHBondContact O-CD2 3.4Å; S79-Y81 WeakPolarHBondContact O-CE2 3.4Å; Y81-R86 VanDerWaalsContact CD1-O 3.25Å; Y81-R86 WeakPolarHBondContact CD1-O 3.23Å; Y81-P87 HydrophobicContact CD2-CB 4.17Å; Y81-P87 HydrophobicContact CE1-CB 4.26Å; Y81-P87 VanDerWaalsContact CE1-CD 3.46Å; Y81-P87 HydrophobicContact CE1-CG 4.38Å; Y81-P87 HydrophobicContact CE2-CB 3.7Å; Y81-P87 HydrophobicContact CE2-CG 4.4Å; Y81-E145 WeakPolarHBondContact CB-O 3.43Å; Y81-E145 HydrophobicContact CD1-CB 4.13Å; Y81-E145 WeakPolarHBondContact CD1-O 3.41Å; Y81-E145 HydrophobicContact CD2-CB 3.71Å; Y81-E145 HydrophobicContact CD2-CG 3.75Å; Y81-E145 HydrophobicContact CE1-CB 4.41Å; Y81-E145 HydrophobicContact CE2-CB 4.06Å; Y81-E145 HydrophobicContact CE2-CG 4.25Å; Y81-E145 HydrophobicContact CG-CB 3.76Å; Y81-E145 HydrophobicContact CG-CG 4.15Å; Y81-D146 HydrophobicContact CE1-CB 4.21Å
82Q74.9Confident82.1Confident149 Ų14959.7 Ų59.770%0.69629%0.289SS*.SBendtrans-97.2-24.8177.5-67.6-178.529.100113.5D88Q82-D88 WeakPolarHBondContact CG-OD1 3.21Å; Q82-D88 WeakPolarHBondContact CG-OD2 3.49Å; Q82-D88 PolarHBondContact NE2-OD2 2.87Å
83D79.4Confident81.7Confident73 Ų7361.1 Ų61.139%0.3930%0.297SS..SBendtrans-109.79.9-172.275.5-13.8000114.1R85 R86D83-R85 PolarHBondContact O-N 3.38Å; D83-R85 WeakPolarHBondContact OD1-CA 3.02Å; D83-R85 WeakPolarHBondContact OD1-CB 3.47Å; D83-R85 PolarHBondContact OD1-N 2.93Å; D83-R86 PolarHBondContact OD1-N 3.09Å
84Y80.2Confident81.3Confident73 Ų7366 Ų6629%0.28631%0.314SS..SBendtrans59.522.6-176.4-41.2-82.2000113.8H144 E145 D146 A147 L178 K181Y84-H144 WeakPolarHBondContact CA-O 3.44Å; Y84-H144 WeakPolarHBondContact CB-O 3.45Å; Y84-H144 WeakPolarHBondContact CD1-O 3.07Å; Y84-H144 AromaticContact CE1-CD2 3.9Å; Y84-H144 AromaticContact CE1-CE1 3.46Å; Y84-H144 VanDerWaalsContact CE1-CE1 3.46Å; Y84-H144 WeakPolarHBondContact CE1-CE1 3.43Å; Y84-H144 AromaticContact CE1-ND1 3.94Å; Y84-H144 AromaticContact CE1-NE2 3.41Å; Y84-H144 WeakPolarHBondContact CE1-NE2 3.26Å; Y84-E145 CarbonylContact C-O 3.41Å; Y84-E145 WeakPolarHBondContact CA-O 3.38Å; Y84-D146 WeakPolarHBondContact O-CA 3.31Å; Y84-A147 PolarHBondContact O-N 2.93Å; Y84-L178 HydrophobicContact CD1-CD1 4.03Å; Y84-L178 HydrophobicContact CD1-CD2 4.39Å; Y84-L178 HydrophobicContact CE1-CD2 4.47Å; Y84-L178 HydrophobicContact CG-CD1 4.45Å; Y84-L178 HydrophobicContact CG-CD2 4.46Å; Y84-K181 HydrophobicContact CD2-CG 4.17Å
85R75.9Confident81.2Confident58 Ų5868.2 Ų68.222%0.21933%0.329CS..SBendtrans-140.1-42.3-173-172.3-164.4178.9-169.86.1114D83 E145 I182 S183 R186D83-R85 PolarHBondContact O-N 3.38Å; D83-R85 WeakPolarHBondContact OD1-CA 3.02Å; D83-R85 WeakPolarHBondContact OD1-CB 3.47Å; D83-R85 PolarHBondContact OD1-N 2.93Å; R85-E145 PolarHBondContact N-O 2.7Å; R85-E145 VanDerWaalsContact N-O 3.17Å; R85-I182 HydrophobicContact CB-CD1 3.99Å; R85-I182 HydrophobicContact CG-CD1 3.96Å; R85-S183 PolarHBondContact NH2-OG 3.33Å; R85-R186 VanDerWaalsContact CG-NH1 3.33Å
86R76.9Confident81.1Confident137 Ų13768.9 Ų68.952%0.51733%0.333SS..SBendtrans-139.1144.7-174.5-58.8-176.1-176.8-172.6-1111.2Y81 D83Y81-R86 VanDerWaalsContact CD1-O 3.25Å; Y81-R86 WeakPolarHBondContact CD1-O 3.23Å; D83-R86 PolarHBondContact OD1-N 3.09Å
87P74.2Confident81.3Confident30 Ų3072.7 Ų72.720%0.19535%0.35CS..BIsolated β-bridgetrans-69.4147.1173.629.7-31.6000109.4E78 Y81 H89 V90E78-P87 HydrophobicContact CB-CB 4.02Å; E78-P87 HydrophobicContact CB-CG 4.23Å; E78-P87 HydrophobicContact CG-CB 4.47Å; E78-P87 HydrophobicContact CG-CG 4.13Å; Y81-P87 HydrophobicContact CD2-CB 4.17Å; Y81-P87 HydrophobicContact CE1-CB 4.26Å; Y81-P87 VanDerWaalsContact CE1-CD 3.46Å; Y81-P87 HydrophobicContact CE1-CG 4.38Å; Y81-P87 HydrophobicContact CE2-CB 3.7Å; Y81-P87 HydrophobicContact CE2-CG 4.4Å; P87-H89 PolarHBondContact O-N 3.32Å; P87-V90 HydrophobicContact CG-CG2 3.92Å
88D75.5Confident81.6Confident55 Ų5574.1 Ų74.129%0.29436%0.355SS..SBendtrans-60.2-38.4177.4-65.4-31.1000111S79 T80 Q82S79-D88 PolarHBondContact OG-N 3.15Å; T80-D88 VanDerWaalsContact O-CG 3.23Å; T80-D88 PolarHBondContact O-N 2.88Å; T80-D88 PolarHBondContact OG1-OD2 3.14Å; T80-D88 VanDerWaalsContact OG1-OD2 3.12Å; Q82-D88 WeakPolarHBondContact CG-OD1 3.21Å; Q82-D88 WeakPolarHBondContact CG-OD2 3.49Å; Q82-D88 PolarHBondContact NE2-OD2 2.87Å
89H76.1Confident82.2Confident134 Ų13472.3 Ų72.362%0.6235%0.346SS*.  trans-144.4147.3179.2-61.5-63.5000111.1S79 P87S79-H89 PolarHBondContact N-O 3.31Å; S79-H89 VanDerWaalsContact N-O 3.15Å; S79-H89 PolarHBondContact OG-N 2.9Å; S79-H89 PolarHBondContact OG-O 3.32Å; S79-H89 VanDerWaalsContact OG-O 3.07Å; P87-H89 PolarHBondContact O-N 3.32Å
90V78.6Confident83.1Confident43 Ų4370.4 Ų70.426%0.26133%0.333SS..EExtended strand (participates in β ladder)trans-110.2121.4171175.50000107.1R76 P87 F92R76-V90 HydrophobicContact CB-CG1 3.78Å; R76-V90 HydrophobicContact CG-CG1 4.09Å; P87-V90 HydrophobicContact CG-CG2 3.92Å; V90-F92 HydrophobicContact CG1-CE1 4.49Å
91E84.1Confident84Confident128 Ų12871 Ų7160%0.59833%0.327SS*.EExtended strand (participates in β ladder)trans-106.9128.9177.2-71.4-173.8176.500109.9R76 T77 V93R76-E91 CarbonylContact C-O 3.55Å; R76-E91 WeakPolarHBondContact CA-O 3.43Å; T77-E91 HydrophobicContact CG2-CB 3.88Å; T77-E91 PolarHBondContact N-O 3.43Å; T77-E91 PolarHBondContact O-N 3.16Å; T77-E91 VanDerWaalsContact O-N 3.14Å; E91-V93 PolarHBondContact O-N 2.77Å
92F83.9Confident84.4Confident68 Ų6870.9 Ų70.930%0.29833%0.326SS..EExtended strand (participates in β ladder)trans-75.5127.5172.8-60.1-41000109.7F40 P41 G59 T74 F75 R76 V90F40-F92 HydrophobicContact CD1-CB 3.89Å; F40-F92 AromaticContact CD1-CD2 3.61Å; F40-F92 HydrophobicContact CD1-CD2 3.61Å; F40-F92 HydrophobicContact CD1-CG 4.05Å; F40-F92 HydrophobicContact CE1-CB 3.32Å; F40-F92 AromaticContact CE1-CD2 3.68Å; F40-F92 HydrophobicContact CE1-CD2 3.68Å; F40-F92 AromaticContact CE1-CG 3.92Å; F40-F92 HydrophobicContact CE1-CG 3.92Å; F40-F92 HydrophobicContact CZ-CB 4.03Å; P41-F92 HydrophobicContact CG-CE2 4.4Å; P41-F92 HydrophobicContact CG-CZ 4.34Å; G59-F92 VanDerWaalsContact CA-CE1 3.5Å; T74-F92 HydrophobicContact CG2-CB 4.03Å; T74-F92 HydrophobicContact CG2-CD1 4.03Å; T74-F92 HydrophobicContact CG2-CG 4.05Å; F75-F92 WeakPolarHBondContact O-CA 3.25Å; R76-F92 HydrophobicContact CB-CD1 4.18Å; V90-F92 HydrophobicContact CG1-CE1 4.49Å
93V86.4Confident85.2Confident30 Ų3065.6 Ų65.618%0.18230%0.3CS..  trans-118.1168.6180-63.20000109F75 T77 E91 E98F75-V93 HydrophobicContact CB-CG2 4.03Å; F75-V93 WeakPolarHBondContact CB-O 3.46Å; F75-V93 PolarHBondContact O-N 2.91Å; T77-V93 HydrophobicContact CG2-CG1 3.65Å; E91-V93 PolarHBondContact O-N 2.77Å; V93-E98 HydrophobicContact CG2-CB 4.06Å
94R85.3Confident85.9Confident124 Ų12462.7 Ų62.747%0.46828%0.284SS..SBendtrans-106.111.3172.1-65.2-170.6179.9-926.9112.8S38 E43S38-R94 PolarHBondContact O-NH1 3.37Å; E43-R94 IonicContact OE1-NH2 3.91Å; E43-R94 PolarHBondContact OE1-NH2 3.36Å; E43-R94 VanDerWaalsContact OE1-NH2 3.13Å; E43-R94 IonicContact OE2-NH1 3.4Å; E43-R94 IonicContact OE2-NH2 3.18Å
95S91.1Very high86.7Confident47 Ų4759.2 Ų59.233%0.32927%0.271SS..  trans-103.7118.7-177.6176.40000111.7K97 E98 D99S95-K97 PolarHBondContact O-N 3.28Å; S95-K97 PolarHBondContact OG-N 2.84Å; S95-E98 PolarHBondContact O-N 2.96Å; S95-E98 PolarHBondContact OG-N 3.38Å; S95-D99 PolarHBondContact O-N 3.19Å
96L92.9Very high87.7Confident14 Ų1456.6 Ų56.67%0.07326%0.261CS..Hα-helixtrans-58.3-38.5170.8175.765.4000111.7Y15 F75 E98 D99 L100 A111 I119Y15-L96 HydrophobicContact CD2-CD1 3.84Å; Y15-L96 HydrophobicContact CD2-CD2 3.85Å; Y15-L96 HydrophobicContact CD2-CG 4.31Å; Y15-L96 HydrophobicContact CE1-CD2 4.42Å; Y15-L96 HydrophobicContact CE2-CB 4.22Å; Y15-L96 HydrophobicContact CE2-CD1 4.24Å; Y15-L96 HydrophobicContact CE2-CD2 3.68Å; Y15-L96 HydrophobicContact CE2-CG 4.25Å; Y15-L96 HydrophobicContact CG-CD2 4.27Å; F75-L96 HydrophobicContact CE1-CB 4.47Å; F75-L96 HydrophobicContact CE1-CD1 3.76Å; F75-L96 HydrophobicContact CE2-CB 4.2Å; F75-L96 HydrophobicContact CZ-CB 4.06Å; F75-L96 HydrophobicContact CZ-CD1 4.02Å; L96-E98 VanDerWaalsContact C-N 3.32Å; L96-E98 PolarHBondContact O-N 3.01Å; L96-D99 PolarHBondContact O-N 3.28Å; L96-D99 VanDerWaalsContact O-N 3.14Å; L96-L100 HydrophobicContact CD1-CD1 4.09Å; L96-L100 HydrophobicContact CD1-CD2 4.28Å; L96-L100 HydrophobicContact CD1-CG 3.89Å; L96-L100 HydrophobicContact CD2-CD1 4.26Å; L96-L100 HydrophobicContact CG-CD1 3.9Å; L96-L100 HydrophobicContact CG-CG 4.09Å; L96-L100 WeakPolarHBondContact O-CG 3.46Å; L96-L100 PolarHBondContact O-N 3.18Å; L96-A111 HydrophobicContact CD1-CB 4.07Å; L96-A111 HydrophobicContact CD2-CB 4Å; L96-I119 HydrophobicContact CD2-CB 4.41Å; L96-I119 HydrophobicContact CD2-CD1 3.65Å; L96-I119 HydrophobicContact CD2-CG2 3.98Å
97K94.2Very high88.7Confident118 Ų11850.1 Ų50.151%0.51324%0.237SC..Hα-helixtrans-60.2-42.8-178-179.4174.6-179.8179.20111.9S95 D99 L100 K101 L121S95-K97 PolarHBondContact O-N 3.28Å; S95-K97 PolarHBondContact OG-N 2.84Å; K97-D99 VanDerWaalsContact C-N 3.35Å; K97-L100 PolarHBondContact O-N 2.91Å; K97-K101 VanDerWaalsContact O-CB 3.3Å; K97-K101 WeakPolarHBondContact O-CB 3.19Å; K97-K101 PolarHBondContact O-N 3.5Å; K97-L121 HydrophobicContact CB-CD1 3.72Å; K97-L121 HydrophobicContact CD-CD1 4.46Å; K97-L121 HydrophobicContact CG-CD1 3.83Å
98E92.4Very high89.7Confident66 Ų6649 Ų4931%0.30823%0.229SC..Hα-helixtrans-67.6-37.1177.2-65-53.3128.300111.3V93 S95 L96 K101 R102V93-E98 HydrophobicContact CG2-CB 4.06Å; S95-E98 PolarHBondContact O-N 2.96Å; S95-E98 PolarHBondContact OG-N 3.38Å; L96-E98 VanDerWaalsContact C-N 3.32Å; L96-E98 PolarHBondContact O-N 3.01Å; E98-K101 PolarHBondContact O-N 2.99Å; E98-R102 PolarHBondContact O-N 2.81Å
99D93Very high90.7Very high0 Ų046.4 Ų46.40%022%0.215CC..Hα-helixtrans-66.3-38.9175.1-170.274.4000113.4F75 R76 S95 L96 K97 R102 R103F75-D99 HydrophobicContact CB-CB 4.07Å; F75-D99 HydrophobicContact CD1-CB 3.9Å; F75-D99 HydrophobicContact CG-CB 4.23Å; R76-D99 PolarHBondContact N-OD1 3.17Å; R76-D99 WeakPolarHBondContact O-CA 3.24Å; S95-D99 PolarHBondContact O-N 3.19Å; L96-D99 PolarHBondContact O-N 3.28Å; L96-D99 VanDerWaalsContact O-N 3.14Å; K97-D99 VanDerWaalsContact C-N 3.35Å; D99-R102 WeakPolarHBondContact O-CG 3.34Å; D99-R102 IonicContact OD1-CZ 3.42Å; D99-R102 VanDerWaalsContact OD1-CZ 3.24Å; D99-R102 IonicContact OD1-NE 3.56Å; D99-R102 PolarHBondContact OD1-NE 3.14Å; D99-R102 IonicContact OD1-NH2 3.82Å; D99-R102 PolarHBondContact OD1-NH2 3Å; D99-R102 IonicContact OD2-NH2 3.34Å; D99-R103 IonicContact OD2-NE 3.96Å; D99-R103 IonicContact OD2-NH2 3.74Å
100L94.2Very high91.7Very high0 Ų040 Ų400%019%0.185CC..Hα-helixtrans-72.4-36.9177-67.6-177.9000111.5V17 L96 K97 R102 R103 A111 L121 F122V17-L100 HydrophobicContact CG1-CD2 4.41Å; L96-L100 HydrophobicContact CD1-CD1 4.09Å; L96-L100 HydrophobicContact CD1-CD2 4.28Å; L96-L100 HydrophobicContact CD1-CG 3.89Å; L96-L100 HydrophobicContact CD2-CD1 4.26Å; L96-L100 HydrophobicContact CG-CD1 3.9Å; L96-L100 HydrophobicContact CG-CG 4.09Å; L96-L100 WeakPolarHBondContact O-CG 3.46Å; L96-L100 PolarHBondContact O-N 3.18Å; K97-L100 PolarHBondContact O-N 2.91Å; L100-R102 VanDerWaalsContact C-N 3.28Å; L100-R102 PolarHBondContact O-N 3.16Å; L100-R103 WeakPolarHBondContact O-CB 3.45Å; L100-R103 PolarHBondContact O-N 3.23Å; L100-R103 VanDerWaalsContact O-N 3.16Å; L100-A111 HydrophobicContact CD1-CB 4.16Å; L100-A111 HydrophobicContact CD2-CB 4.36Å; L100-L121 HydrophobicContact CD1-CD1 4.17Å; L100-L121 HydrophobicContact CD1-CG 4.47Å; L100-F122 HydrophobicContact CB-CD2 4.25Å; L100-F122 HydrophobicContact CB-CE2 3.64Å
101K93.2Very high92.6Very high112 Ų11238 Ų3849%0.48717%0.173SC..Hα-helixtrans-60-35.3179.5-170.2-179.6175.5-169.40113.1K97 E98 R103 F122 V136 R142K97-K101 VanDerWaalsContact O-CB 3.3Å; K97-K101 WeakPolarHBondContact O-CB 3.19Å; K97-K101 PolarHBondContact O-N 3.5Å; E98-K101 PolarHBondContact O-N 2.99Å; K101-R103 PolarHBondContact O-N 3.12Å; K101-F122 HydrophobicContact CB-CE1 4.38Å; K101-F122 HydrophobicContact CB-CE2 4.43Å; K101-F122 HydrophobicContact CB-CZ 3.7Å; K101-F122 HydrophobicContact CG-CE1 4.34Å; K101-F122 HydrophobicContact CG-CZ 4.14Å; K101-V136 WeakPolarHBondContact O-CG1 3.36Å; K101-R142 PolarHBondContact O-NH2 3.4Å
102R89.6Confident93.1Very high29 Ų2933 Ų3311%0.10915%0.152CC..THydrogen-bonded Turntrans-77.3-2.7-179.763.5160-171.692.83114.4R76 E78 E98 D99 L100 R142 R149R76-R102 VanDerWaalsContact NH2-NH1 3.2Å; R76-R102 WeakPolarHBondContact O-CD 3.25Å; R76-R102 PolarHBondContact O-NE 3.19Å; E78-R102 HydrophobicContact CG-CB 4.25Å; E78-R102 IonicContact OE1-NH1 3.93Å; E98-R102 PolarHBondContact O-N 2.81Å; D99-R102 WeakPolarHBondContact O-CG 3.34Å; D99-R102 IonicContact OD1-CZ 3.42Å; D99-R102 VanDerWaalsContact OD1-CZ 3.24Å; D99-R102 IonicContact OD1-NE 3.56Å; D99-R102 PolarHBondContact OD1-NE 3.14Å; D99-R102 IonicContact OD1-NH2 3.82Å; D99-R102 PolarHBondContact OD1-NH2 3Å; D99-R102 IonicContact OD2-NH2 3.34Å; L100-R102 VanDerWaalsContact C-N 3.28Å; L100-R102 PolarHBondContact O-N 3.16Å; R102-R142 VanDerWaalsContact CA-NH2 3.29Å; R102-R142 PolarHBondContact O-NH2 2.94Å; R102-R149 PolarHBondContact O-NH2 3.15Å
103R92.6Very high93.6Very high38 Ų3830.1 Ų30.114%0.14314%0.141CC..SBendtrans-74.5169.8178.4-66.4176.6171.5-101.8-8111.3D99 L100 K101 N108 A109 R142D99-R103 IonicContact OD2-NE 3.96Å; D99-R103 IonicContact OD2-NH2 3.74Å; L100-R103 WeakPolarHBondContact O-CB 3.45Å; L100-R103 PolarHBondContact O-N 3.23Å; L100-R103 VanDerWaalsContact O-N 3.16Å; K101-R103 PolarHBondContact O-N 3.12Å; R103-N108 VanDerWaalsContact CD-O 3.26Å; R103-N108 WeakPolarHBondContact CD-O 3.41Å; R103-N108 PolarHBondContact NH1-O 2.96Å; R103-A109 HydrophobicContact CB-CB 4.17Å; R103-R142 PolarHBondContact O-NH2 3.48Å
104D93.1Very high93.8Very high13 Ų1331.6 Ų31.67%0.0715%0.147CC..SBendtrans-81-55.1-173.452.53.4000112.3N108 A135 V136 R149 R152D104-N108 PolarHBondContact OD1-ND2 3.17Å; D104-N108 VanDerWaalsContact OD1-ND2 3.16Å; D104-A135 WeakPolarHBondContact O-CA 3.37Å; D104-V136 PolarHBondContact O-N 2.77Å; D104-R149 HydrophobicContact CB-CG 4.17Å; D104-R152 IonicContact OD2-CZ 3.86Å; D104-R152 IonicContact OD2-NE 3.77Å; D104-R152 PolarHBondContact OD2-NE 3.02Å; D104-R152 IonicContact OD2-NH2 3.48Å; D104-R152 PolarHBondContact OD2-NH2 3.2Å
105F97.6Very high94Very high0 Ų031.3 Ų31.30%016%0.155CC..BIsolated β-bridgetrans-124.1147-174.2-53.8-74.3000112I107 N108 A109 L133 R134 V136 F143 R149 R152 A153 F156F105-I107 VanDerWaalsContact C-N 3.27Å; F105-I107 HydrophobicContact CB-CG1 4.25Å; F105-I107 PolarHBondContact O-N 3.12Å; F105-N108 CarbonylContact O-C 3.59Å; F105-N108 WeakPolarHBondContact O-CA 3.49Å; F105-N108 PolarHBondContact O-N 3.24Å; F105-A109 PolarHBondContact O-N 2.96Å; F105-A109 VanDerWaalsContact O-N 3.12Å; F105-L133 HydrophobicContact CB-CD1 3.9Å; F105-L133 HydrophobicContact CD1-CD1 3.94Å; F105-L133 HydrophobicContact CD1-CG 3.93Å; F105-L133 HydrophobicContact CD2-CD1 4.24Å; F105-L133 HydrophobicContact CE1-CD2 4.47Å; F105-L133 HydrophobicContact CE1-CG 4.32Å; F105-L133 HydrophobicContact CG-CD1 3.74Å; F105-L133 HydrophobicContact CG-CG 4.25Å; F105-R134 CarbonylContact C-O 3.57Å; F105-R134 WeakPolarHBondContact CA-O 3.33Å; F105-R134 WeakPolarHBondContact CB-O 3.3Å; F105-V136 VanDerWaalsContact C-CG2 3.42Å; F105-F143 HydrophobicContact CE1-CE1 4.46Å; F105-F143 HydrophobicContact CE1-CZ 4.44Å; F105-R149 WeakPolarHBondContact CZ-O 3.43Å; F105-R152 HydrophobicContact CE2-CB 4.11Å; F105-A153 HydrophobicContact CE1-CB 3.71Å; F105-A153 HydrophobicContact CE2-CB 4.45Å; F105-A153 VanDerWaalsContact CZ-CA 3.42Å; F105-A153 HydrophobicContact CZ-CB 3.42Å; F105-A153 VanDerWaalsContact CZ-CB 3.42Å; F105-F156 AromaticContact CD2-CD2 3.61Å; F105-F156 HydrophobicContact CD2-CD2 3.61Å; F105-F156 AromaticContact CD2-CE2 3.7Å; F105-F156 HydrophobicContact CD2-CE2 3.7Å; F105-F156 AromaticContact CE2-CD2 3.56Å; F105-F156 HydrophobicContact CE2-CD2 3.56Å; F105-F156 AromaticContact CE2-CE2 3.76Å; F105-F156 HydrophobicContact CE2-CE2 3.76Å
106T97.8Very high94Very high3 Ų331.4 Ų31.42%0.01816%0.163CC..G310 helixtrans-53.5-43.5-177.654.90000111.9N108 A109 F122 D127 R134 V136T106-N108 PolarHBondContact O-N 3.12Å; T106-N108 VanDerWaalsContact O-N 3.15Å; T106-A109 WeakPolarHBondContact O-CA 3.44Å; T106-A109 PolarHBondContact O-N 3.24Å; T106-F122 WeakPolarHBondContact CB-O 3.28Å; T106-F122 HydrophobicContact CG2-CB 4.36Å; T106-F122 VanDerWaalsContact CG2-O 3.23Å; T106-F122 WeakPolarHBondContact CG2-O 3.22Å; T106-D127 WeakPolarHBondContact CB-OD2 3.37Å; T106-D127 PolarHBondContact OG1-OD2 3.08Å; T106-R134 HydrophobicContact CG2-CB 4.16Å; T106-R134 HydrophobicContact CG2-CG 4.19Å; T106-R134 PolarHBondContact N-O 3.2Å; T106-R134 PolarHBondContact OG1-O 3.29Å; T106-V136 HydrophobicContact CG2-CG2 4.46Å
107I97.1Very high94.1Very high0 Ų034.3 Ų34.30%018%0.181CC..G310 helixtrans-63.3-20.4177.969.1172.7000114.1F105 D127 L128 L133 L160 F162F105-I107 VanDerWaalsContact C-N 3.27Å; F105-I107 HydrophobicContact CB-CG1 4.25Å; F105-I107 PolarHBondContact O-N 3.12Å; I107-D127 HydrophobicContact CG2-CB 3.89Å; I107-L128 HydrophobicContact CB-CD1 4.26Å; I107-L128 HydrophobicContact CG2-CB 4.33Å; I107-L128 HydrophobicContact CG2-CD1 4.33Å; I107-L133 HydrophobicContact CD1-CD1 3.53Å; I107-L133 HydrophobicContact CG1-CD1 4.08Å; I107-L160 HydrophobicContact CD1-CD1 3.55Å; I107-F162 HydrophobicContact CD1-CD2 4.03Å; I107-F162 HydrophobicContact CD1-CE2 3.92Å; I107-F162 HydrophobicContact CG2-CE2 4.29Å
108N95.4Very high94.1Very high7 Ų731 Ų314%0.03717%0.171CC..G310 helixtrans-100.8-5.9175.4-63.2-28.6000112G18 R22 R103 D104 F105 T106 L110 F156G18-N108 WeakPolarHBondContact CA-O 3.2Å; R22-N108 PolarHBondContact NH1-OD1 2.87Å; R103-N108 VanDerWaalsContact CD-O 3.26Å; R103-N108 WeakPolarHBondContact CD-O 3.41Å; R103-N108 PolarHBondContact NH1-O 2.96Å; D104-N108 PolarHBondContact OD1-ND2 3.17Å; D104-N108 VanDerWaalsContact OD1-ND2 3.16Å; F105-N108 CarbonylContact O-C 3.59Å; F105-N108 WeakPolarHBondContact O-CA 3.49Å; F105-N108 PolarHBondContact O-N 3.24Å; T106-N108 PolarHBondContact O-N 3.12Å; T106-N108 VanDerWaalsContact O-N 3.15Å; N108-L110 VanDerWaalsContact C-N 3.29Å; N108-L110 PolarHBondContact O-N 3.48Å; N108-F156 WeakPolarHBondContact ND2-CE2 3.25Å; N108-F156 WeakPolarHBondContact ND2-CZ 3.4Å
109A96.4Very high94.3Very high0 Ų029.9 Ų29.90%017%0.166CC..SBendtrans-96.736.1178.800000112.1R103 F105 T106 F122 V136R103-A109 HydrophobicContact CB-CB 4.17Å; F105-A109 PolarHBondContact O-N 2.96Å; F105-A109 VanDerWaalsContact O-N 3.12Å; T106-A109 WeakPolarHBondContact O-CA 3.44Å; T106-A109 PolarHBondContact O-N 3.24Å; A109-F122 HydrophobicContact CB-CD2 4.11Å; A109-V136 HydrophobicContact CB-CG2 3.71Å
110L96.9Very high94.5Very high0 Ų032 Ų320%018%0.178CC..EExtended strand (participates in β ladder)trans-104145.9175.2-61.1173.8000110V21 L25 N108 D120 L125V21-L110 HydrophobicContact CG1-CB 3.73Å; V21-L110 HydrophobicContact CG1-CD1 4.43Å; L25-L110 HydrophobicContact CD1-CD1 3.74Å; N108-L110 VanDerWaalsContact C-N 3.29Å; N108-L110 PolarHBondContact O-N 3.48Å; L110-D120 HydrophobicContact CD2-CB 3.73Å; L110-L125 HydrophobicContact CD1-CD2 4.26Å; L110-L125 HydrophobicContact CD2-CG 4.16Å
111A96.7Very high94.6Very high0 Ų035.7 Ų35.70%020%0.197CC..EExtended strand (participates in β ladder)trans-125.3148.5171.600000111Y15 Y16 V17 L96 L100 V118 I119Y15-A111 HydrophobicContact CG-CB 4.3Å; Y16-A111 CarbonylContact O-C 3.51Å; Y16-A111 WeakPolarHBondContact O-CA 3.35Å; V17-A111 HydrophobicContact CG1-CB 3.93Å; L96-A111 HydrophobicContact CD1-CB 4.07Å; L96-A111 HydrophobicContact CD2-CB 4Å; L100-A111 HydrophobicContact CD1-CB 4.16Å; L100-A111 HydrophobicContact CD2-CB 4.36Å; A111-V118 CarbonylContact O-C 3.32Å; A111-V118 WeakPolarHBondContact O-CA 3.48Å; A111-I119 HydrophobicContact CB-CB 4.21Å; A111-I119 PolarHBondContact N-O 2.93Å; A111-I119 VanDerWaalsContact N-O 3.09Å; A111-I119 PolarHBondContact O-N 3.32Å
112V95.7Very high94.8Very high25 Ų2532.2 Ų32.215%0.15218%0.182CC..EExtended strand (participates in β ladder)trans-128.3124.6177.8-178.60000110.1Y15 Y16 V21 T117 V118Y15-V112 WeakPolarHBondContact CA-O 3.32Å; Y16-V112 PolarHBondContact N-O 3.07Å; Y16-V112 PolarHBondContact O-N 3.36Å; V21-V112 HydrophobicContact CB-CG2 4.32Å; V21-V112 HydrophobicContact CG1-CG2 3.51Å; V21-V112 HydrophobicContact CG2-CB 4.38Å; V21-V112 HydrophobicContact CG2-CG2 3.87Å; V112-T117 WeakPolarHBondContact CA-O 3.44Å; V112-V118 HydrophobicContact CG2-CG1 4.44Å; V112-V118 HydrophobicContact CG2-CG2 4.16Å
113G93.9Very high95.1Very high6 Ų636.2 Ų36.26%0.06221%0.206CC..  trans-72.6168.3174.700000113D115 G116 T117G113-D115 PolarHBondContact O-N 2.88Å; G113-G116 PolarHBondContact O-N 2.89Å; G113-T117 PolarHBondContact N-O 3.14Å
114I90.2Very high95.3Very high62 Ų6234.4 Ų34.432%0.31820%0.199SC..THydrogen-bonded Turntrans-63.9-24.7178-164.2169.8000113L4 R5 Q8 G116L4-I114 HydrophobicContact CB-CB 4.43Å; L4-I114 HydrophobicContact CB-CD1 4.21Å; L4-I114 HydrophobicContact CB-CG1 4.46Å; L4-I114 HydrophobicContact CD2-CB 4.2Å; R5-I114 HydrophobicContact CB-CD1 3.69Å; R5-I114 HydrophobicContact CG-CD1 4.38Å; Q8-I114 VanDerWaalsContact OE1-CG2 3.28Å; I114-G116 VanDerWaalsContact C-N 3.26Å
115D90.6Very high95.5Very high118 Ų11836.3 Ų36.363%0.63121%0.209SC*.THydrogen-bonded Turntrans-81.4-3.7176.964-18.9000113G113 T117G113-D115 PolarHBondContact O-N 2.88Å; D115-T117 VanDerWaalsContact C-N 3.31Å; D115-T117 WeakPolarHBondContact OD1-CB 3.45Å; D115-T117 PolarHBondContact OD1-N 3.11Å; D115-T117 PolarHBondContact OD1-OG1 3.25Å; D115-T117 WeakPolarHBondContact OD2-CB 3.27Å; D115-T117 PolarHBondContact OD2-OG1 3.31Å
116G90.6Very high95.5Very high48 Ų4839.8 Ų39.850%0.49523%0.227SC..  trans83.73.4-175.800000113.9G113 I114 V118G113-G116 PolarHBondContact O-N 2.89Å; I114-G116 VanDerWaalsContact C-N 3.26Å; G116-V118 PolarHBondContact O-N 2.68Å
117T94.4Very high95.5Very high76 Ų7640.1 Ų40.147%0.46623%0.229SC..  trans-66124.5175.3-63.40000109.5V112 G113 D115V112-T117 WeakPolarHBondContact CA-O 3.44Å; G113-T117 PolarHBondContact N-O 3.14Å; D115-T117 VanDerWaalsContact C-N 3.31Å; D115-T117 WeakPolarHBondContact OD1-CB 3.45Å; D115-T117 PolarHBondContact OD1-N 3.11Å; D115-T117 PolarHBondContact OD1-OG1 3.25Å; D115-T117 WeakPolarHBondContact OD2-CB 3.27Å; D115-T117 PolarHBondContact OD2-OG1 3.31Å
118V95.7Very high95.5Very high48 Ų4840.9 Ų40.929%0.29123%0.233SC..EExtended strand (participates in β ladder)trans-87.3124.4174.6-172.30000109A111 V112 G116 L125A111-V118 CarbonylContact O-C 3.32Å; A111-V118 WeakPolarHBondContact O-CA 3.48Å; V112-V118 HydrophobicContact CG2-CG1 4.44Å; V112-V118 HydrophobicContact CG2-CG2 4.16Å; G116-V118 PolarHBondContact O-N 2.68Å; V118-L125 HydrophobicContact CB-CD1 4.45Å; V118-L125 HydrophobicContact CG1-CD1 4.08Å; V118-L125 HydrophobicContact CG1-CD2 4.13Å; V118-L125 HydrophobicContact CG1-CG 4.32Å
119I96.6Very high95.6Very high42 Ų4249.2 Ų49.222%0.21526%0.264CS..EExtended strand (participates in β ladder)trans-97.9112.8172.2-58.4171.7000107.3Y15 L96 A111 L121Y15-I119 HydrophobicContact CD1-CD1 3.75Å; Y15-I119 HydrophobicContact CE1-CD1 3.38Å; L96-I119 HydrophobicContact CD2-CB 4.41Å; L96-I119 HydrophobicContact CD2-CD1 3.65Å; L96-I119 HydrophobicContact CD2-CG2 3.98Å; A111-I119 HydrophobicContact CB-CB 4.21Å; A111-I119 PolarHBondContact N-O 2.93Å; A111-I119 VanDerWaalsContact N-O 3.09Å; A111-I119 PolarHBondContact O-N 3.32Å; I119-L121 HydrophobicContact CG2-CD1 4.42Å; I119-L121 HydrophobicContact CG2-CD2 4.12Å; I119-L121 HydrophobicContact CG2-CG 4.01Å
120D97.2Very high95.6Very high44 Ų4454.6 Ų54.624%0.23529%0.293CS..EExtended strand (participates in β ladder)trans-121117.3175.4-174.74.9000109L110 F122 D123 G124 L125L110-D120 HydrophobicContact CD2-CB 3.73Å; D120-F122 PolarHBondContact OD1-N 3.03Å; D120-F122 VanDerWaalsContact OD1-N 3.13Å; D120-D123 PolarHBondContact OD1-N 2.84Å; D120-G124 VanDerWaalsContact CG-N 3.35Å; D120-G124 PolarHBondContact OD1-N 2.87Å; D120-G124 PolarHBondContact OD2-N 2.91Å; D120-L125 HydrophobicContact CB-CD1 4Å; D120-L125 HydrophobicContact CB-CG 4.09Å; D120-L125 VanDerWaalsContact OD2-CB 3.3Å; D120-L125 WeakPolarHBondContact OD2-CB 3.38Å; D120-L125 WeakPolarHBondContact OD2-CG 3.31Å; D120-L125 PolarHBondContact OD2-N 2.98Å
121L96.2Very high95.7Very high78 Ų7860.8 Ų60.841%0.40832%0.319SS..SBendtrans-113.5-1.4-178.1-57.4179.8000112.5K97 L100 I119K97-L121 HydrophobicContact CB-CD1 3.72Å; K97-L121 HydrophobicContact CD-CD1 4.46Å; K97-L121 HydrophobicContact CG-CD1 3.83Å; L100-L121 HydrophobicContact CD1-CD1 4.17Å; L100-L121 HydrophobicContact CD1-CG 4.47Å; I119-L121 HydrophobicContact CG2-CD1 4.42Å; I119-L121 HydrophobicContact CG2-CD2 4.12Å; I119-L121 HydrophobicContact CG2-CG 4.01Å
122F96.4Very high95.7Very high40 Ų4062.3 Ų62.318%0.17533%0.329CS..SBendtrans-142.926.8-169-57-75.2000112.4L100 K101 T106 A109 D120 G124 V136L100-F122 HydrophobicContact CB-CD2 4.25Å; L100-F122 HydrophobicContact CB-CE2 3.64Å; K101-F122 HydrophobicContact CB-CE1 4.38Å; K101-F122 HydrophobicContact CB-CE2 4.43Å; K101-F122 HydrophobicContact CB-CZ 3.7Å; K101-F122 HydrophobicContact CG-CE1 4.34Å; K101-F122 HydrophobicContact CG-CZ 4.14Å; T106-F122 WeakPolarHBondContact CB-O 3.28Å; T106-F122 HydrophobicContact CG2-CB 4.36Å; T106-F122 VanDerWaalsContact CG2-O 3.23Å; T106-F122 WeakPolarHBondContact CG2-O 3.22Å; A109-F122 HydrophobicContact CB-CD2 4.11Å; D120-F122 PolarHBondContact OD1-N 3.03Å; D120-F122 VanDerWaalsContact OD1-N 3.13Å; F122-G124 PolarHBondContact O-N 2.91Å; F122-G124 VanDerWaalsContact O-N 3.16Å; F122-V136 HydrophobicContact CD1-CG1 3.86Å; F122-V136 HydrophobicContact CD2-CG1 4.33Å; F122-V136 HydrophobicContact CE1-CG1 4.08Å; F122-V136 HydrophobicContact CG-CG1 3.99Å; F122-V136 HydrophobicContact CZ-CG1 4.43Å
123D96.7Very high95.9Very high113 Ų11361.1 Ų61.160%0.60432%0.322SS*.SBendtrans58.226.8177.4-51.1-49.8000114.4D120 L125 D126 D127D120-D123 PolarHBondContact OD1-N 2.84Å; D123-L125 VanDerWaalsContact C-N 3.29Å; D123-L125 PolarHBondContact O-N 2.64Å; D123-D126 PolarHBondContact O-N 2.95Å; D123-D127 PolarHBondContact O-N 3.26Å; D123-D127 VanDerWaalsContact O-N 3.07Å
124G97Very high96.1Very high0 Ų065.3 Ų65.30%034%0.336CS..Hα-helixtrans-65.2-29.7-178.300000113.3D120 F122 L128D120-G124 VanDerWaalsContact CG-N 3.35Å; D120-G124 PolarHBondContact OD1-N 2.87Å; D120-G124 PolarHBondContact OD2-N 2.91Å; F122-G124 PolarHBondContact O-N 2.91Å; F122-G124 VanDerWaalsContact O-N 3.16Å; G124-L128 WeakPolarHBondContact O-CB 2.86Å; G124-L128 PolarHBondContact O-N 2.87Å
125L97.1Very high96.5Very high53 Ų5362.5 Ų62.528%0.27732%0.322SS..Hα-helixtrans-69.3-38.1175.9-74176.6000112.3L25 L110 V118 D120 D123 R129L25-L125 HydrophobicContact CD1-CD2 3.96Å; L110-L125 HydrophobicContact CD1-CD2 4.26Å; L110-L125 HydrophobicContact CD2-CG 4.16Å; V118-L125 HydrophobicContact CB-CD1 4.45Å; V118-L125 HydrophobicContact CG1-CD1 4.08Å; V118-L125 HydrophobicContact CG1-CD2 4.13Å; V118-L125 HydrophobicContact CG1-CG 4.32Å; D120-L125 HydrophobicContact CB-CD1 4Å; D120-L125 HydrophobicContact CB-CG 4.09Å; D120-L125 VanDerWaalsContact OD2-CB 3.3Å; D120-L125 WeakPolarHBondContact OD2-CB 3.38Å; D120-L125 WeakPolarHBondContact OD2-CG 3.31Å; D120-L125 PolarHBondContact OD2-N 2.98Å; D123-L125 VanDerWaalsContact C-N 3.29Å; D123-L125 PolarHBondContact O-N 2.64Å; L125-R129 WeakPolarHBondContact O-CB 3.47Å; L125-R129 PolarHBondContact O-N 3.09Å
126D97.7Very high96.7Very high73 Ų7357 Ų5739%0.3929%0.292SS..Hα-helixtrans-74-41.7178.4-77.4-12.8000110.5D123 L128 R129 N130D123-D126 PolarHBondContact O-N 2.95Å; D126-L128 VanDerWaalsContact C-N 3.32Å; D126-L128 PolarHBondContact O-N 3.48Å; D126-R129 PolarHBondContact O-N 3.42Å; D126-R129 IonicContact OD1-CZ 2.74Å; D126-R129 IonicContact OD1-NH1 3.76Å; D126-R129 IonicContact OD1-NH2 2.72Å; D126-R129 PolarHBondContact OD1-NH2 3.32Å; D126-N130 WeakPolarHBondContact O-CB 3.25Å; D126-N130 VanDerWaalsContact O-CG 3.31Å; D126-N130 PolarHBondContact O-N 3.45Å; D126-N130 PolarHBondContact O-ND2 3.35Å
127D98.1Very high96.9Very high10 Ų1057.6 Ų57.65%0.05330%0.299CS..Hα-helixtrans-60-41.6171.5-78-31.4000111.6T106 I107 D123 R129 N130 K131 V132 R134T106-D127 WeakPolarHBondContact CB-OD2 3.37Å; T106-D127 PolarHBondContact OG1-OD2 3.08Å; I107-D127 HydrophobicContact CG2-CB 3.89Å; D123-D127 PolarHBondContact O-N 3.26Å; D123-D127 VanDerWaalsContact O-N 3.07Å; D127-R129 PolarHBondContact O-N 3.03Å; D127-N130 CarbonylContact O-C 3.43Å; D127-N130 PolarHBondContact O-N 3.17Å; D127-K131 PolarHBondContact O-N 3.35Å; D127-V132 HydrophobicContact CB-CB 4.45Å; D127-V132 PolarHBondContact O-N 3.49Å; D127-R134 IonicContact OD1-NE 2.85Å; D127-R134 PolarHBondContact OD1-NE 3.07Å; D127-R134 WeakPolarHBondContact OD2-CB 3.19Å; D127-R134 WeakPolarHBondContact OD2-CD 3.46Å; D127-R134 IonicContact OD2-NE 3.45Å
128L96.3Very high97Very high15 Ų1557 Ų578%0.07929%0.293CS..Hα-helixtrans-62-43.5176.1-167.474.7000111.8R22 L25 L26 I107 G124 D126 N130 K131 F162R22-L128 HydrophobicContact CG-CD1 3.72Å; L25-L128 HydrophobicContact CB-CD2 3.54Å; L25-L128 HydrophobicContact CD1-CD2 3.95Å; L25-L128 HydrophobicContact CG-CD2 4.4Å; L26-L128 HydrophobicContact CD1-CD1 3.97Å; L26-L128 HydrophobicContact CD2-CD1 3.86Å; L26-L128 HydrophobicContact CD2-CD2 4.48Å; L26-L128 HydrophobicContact CD2-CG 4.04Å; L26-L128 HydrophobicContact CG-CD1 3.86Å; L26-L128 HydrophobicContact CG-CG 4.39Å; I107-L128 HydrophobicContact CB-CD1 4.26Å; I107-L128 HydrophobicContact CG2-CB 4.33Å; I107-L128 HydrophobicContact CG2-CD1 4.33Å; G124-L128 WeakPolarHBondContact O-CB 2.86Å; G124-L128 PolarHBondContact O-N 2.87Å; D126-L128 VanDerWaalsContact C-N 3.32Å; D126-L128 PolarHBondContact O-N 3.48Å; L128-N130 VanDerWaalsContact C-N 3.34Å; L128-K131 PolarHBondContact O-N 2.97Å; L128-F162 HydrophobicContact CD1-CE2 4.01Å; L128-F162 HydrophobicContact CD1-CZ 3.94Å
129R96.7Very high97.1Very high182 Ų18255.3 Ų55.369%0.68728%0.282SS*.Hα-helixtrans-66.7-37.7179.9-146.4-176.8-56.6150.717.3111.5L125 D126 D127 K131L125-R129 WeakPolarHBondContact O-CB 3.47Å; L125-R129 PolarHBondContact O-N 3.09Å; D126-R129 PolarHBondContact O-N 3.42Å; D126-R129 IonicContact OD1-CZ 2.74Å; D126-R129 IonicContact OD1-NH1 3.76Å; D126-R129 IonicContact OD1-NH2 2.72Å; D126-R129 PolarHBondContact OD1-NH2 3.32Å; D127-R129 PolarHBondContact O-N 3.03Å; R129-K131 VanDerWaalsContact C-N 3.34Å
130N97.9Very high97.1Very high113 Ų11356.6 Ų56.660%0.60429%0.285SS*.Hα-helixtrans-86.6-2.1179.8-65.3-39.9000113.7D126 D127 L128 V132D126-N130 WeakPolarHBondContact O-CB 3.25Å; D126-N130 VanDerWaalsContact O-CG 3.31Å; D126-N130 PolarHBondContact O-N 3.45Å; D126-N130 PolarHBondContact O-ND2 3.35Å; D127-N130 CarbonylContact O-C 3.43Å; D127-N130 PolarHBondContact O-N 3.17Å; L128-N130 VanDerWaalsContact C-N 3.34Å; N130-V132 VanDerWaalsContact C-N 3.29Å; N130-V132 HydrophobicContact CB-CG2 4.01Å; N130-V132 PolarHBondContact O-N 3.38Å
131K97.7Very high96.9Very high130 Ų13060 Ų6057%0.56530%0.3SS*.THydrogen-bonded Turntrans5642.4-175.8-56.8-176.9179.3179.80112.9D127 L128 R129 F162 T163D127-K131 PolarHBondContact O-N 3.35Å; L128-K131 PolarHBondContact O-N 2.97Å; R129-K131 VanDerWaalsContact C-N 3.34Å; K131-F162 HydrophobicContact CB-CD1 3.63Å; K131-F162 HydrophobicContact CB-CE1 3.8Å; K131-F162 HydrophobicContact CB-CG 4.07Å; K131-F162 HydrophobicContact CB-CZ 4.34Å; K131-F162 HydrophobicContact CD-CE1 4.44Å; K131-F162 HydrophobicContact CG-CD1 4.08Å; K131-F162 HydrophobicContact CG-CE1 3.77Å; K131-F162 HydrophobicContact CG-CZ 4.33Å; K131-F162 CarbonylContact O-C 3.56Å; K131-F162 WeakPolarHBondContact O-CA 3.31Å; K131-F162 VanDerWaalsContact O-CB 3.25Å; K131-F162 WeakPolarHBondContact O-CB 3.41Å; K131-F162 WeakPolarHBondContact O-CG 3.41Å; K131-T163 PolarHBondContact O-N 3.32Å
132V98.3Very high96.7Very high33 Ų3357.5 Ų57.520%0.229%0.285CS..EExtended strand (participates in β ladder)trans-104.3136.9177.5176.10000109.3D127 N130 R134 T163 E165D127-V132 HydrophobicContact CB-CB 4.45Å; D127-V132 PolarHBondContact O-N 3.49Å; N130-V132 VanDerWaalsContact C-N 3.29Å; N130-V132 HydrophobicContact CB-CG2 4.01Å; N130-V132 PolarHBondContact O-N 3.38Å; V132-R134 HydrophobicContact CG1-CB 4.48Å; V132-T163 WeakPolarHBondContact CA-O 3.33Å; V132-E165 HydrophobicContact CG1-CB 3.82Å; V132-E165 HydrophobicContact CG1-CG 4.35Å
133L98.3Very high96.7Very high0 Ų055.6 Ų55.60%028%0.277CS..EExtended strand (participates in β ladder)trans-104.7107.3171.7-172.170.1000109.2F105 I107 A153 F156 V157 F162 T163 L164 E165F105-L133 HydrophobicContact CB-CD1 3.9Å; F105-L133 HydrophobicContact CD1-CD1 3.94Å; F105-L133 HydrophobicContact CD1-CG 3.93Å; F105-L133 HydrophobicContact CD2-CD1 4.24Å; F105-L133 HydrophobicContact CE1-CD2 4.47Å; F105-L133 HydrophobicContact CE1-CG 4.32Å; F105-L133 HydrophobicContact CG-CD1 3.74Å; F105-L133 HydrophobicContact CG-CG 4.25Å; I107-L133 HydrophobicContact CD1-CD1 3.53Å; I107-L133 HydrophobicContact CG1-CD1 4.08Å; L133-A153 HydrophobicContact CD2-CB 4.29Å; L133-A153 VanDerWaalsContact CD2-O 3.23Å; L133-A153 WeakPolarHBondContact CD2-O 3.46Å; L133-F156 HydrophobicContact CD1-CB 4.12Å; L133-F156 HydrophobicContact CD2-CB 3.69Å; L133-V157 HydrophobicContact CD2-CG2 4.05Å; L133-F162 HydrophobicContact CB-CB 4.21Å; L133-T163 PolarHBondContact N-O 2.91Å; L133-L164 HydrophobicContact CB-CD2 4.23Å; L133-L164 HydrophobicContact CD2-CD2 3.77Å; L133-L164 HydrophobicContact CG-CD2 4.19Å; L133-E165 PolarHBondContact O-N 2.95Å
134R98.4Very high96.4Very high93 Ų9353.9 Ų53.935%0.35127%0.265SS..  trans-120.7139-177.2-175.7-173.4-64.6-82-3.7110.6F105 T106 D127 V132 E165F105-R134 CarbonylContact C-O 3.57Å; F105-R134 WeakPolarHBondContact CA-O 3.33Å; F105-R134 WeakPolarHBondContact CB-O 3.3Å; T106-R134 HydrophobicContact CG2-CB 4.16Å; T106-R134 HydrophobicContact CG2-CG 4.19Å; T106-R134 PolarHBondContact N-O 3.2Å; T106-R134 PolarHBondContact OG1-O 3.29Å; D127-R134 IonicContact OD1-NE 2.85Å; D127-R134 PolarHBondContact OD1-NE 3.07Å; D127-R134 WeakPolarHBondContact OD2-CB 3.19Å; D127-R134 WeakPolarHBondContact OD2-CD 3.46Å; D127-R134 IonicContact OD2-NE 3.45Å; V132-R134 HydrophobicContact CG1-CB 4.48Å; R134-E165 HydrophobicContact CB-CB 4.06Å; R134-E165 HydrophobicContact CB-CG 4.31Å; R134-E165 HydrophobicContact CG-CB 4.28Å; R134-E165 HydrophobicContact CG-CG 4.07Å; R134-E165 IonicContact CZ-OE1 3.8Å; R134-E165 IonicContact NH1-OE1 2.92Å; R134-E165 PolarHBondContact NH1-OE1 2.88Å; R134-E165 IonicContact NH1-OE2 3.93Å; R134-E165 VanDerWaalsContact NH2-CG 3.31Å
135A98Very high96Very high3 Ų356.1 Ų56.13%0.02528%0.275CS..BIsolated β-bridgetrans-68.3149.4173.100000111.8D104 G137 P139 F143 T168D104-A135 WeakPolarHBondContact O-CA 3.37Å; A135-G137 PolarHBondContact O-N 3.44Å; A135-P139 HydrophobicContact CB-CB 3.81Å; A135-F143 HydrophobicContact CB-CZ 4.43Å; A135-T168 HydrophobicContact CB-CG2 4.22Å; A135-T168 PolarHBondContact N-OG1 3.2Å
136V96.5Very high95.8Very high2 Ų254.3 Ų54.31%0.01227%0.266CS..SBendtrans-73.4119.1170.5-1770000109.5K101 D104 F105 T106 A109 F122 R142K101-V136 WeakPolarHBondContact O-CG1 3.36Å; D104-V136 PolarHBondContact O-N 2.77Å; F105-V136 VanDerWaalsContact C-CG2 3.42Å; T106-V136 HydrophobicContact CG2-CG2 4.46Å; A109-V136 HydrophobicContact CB-CG2 3.71Å; F122-V136 HydrophobicContact CD1-CG1 3.86Å; F122-V136 HydrophobicContact CD2-CG1 4.33Å; F122-V136 HydrophobicContact CE1-CG1 4.08Å; F122-V136 HydrophobicContact CG-CG1 3.99Å; F122-V136 HydrophobicContact CZ-CG1 4.43Å; V136-R142 WeakPolarHBondContact O-CD 3.21Å; V136-R142 VanDerWaalsContact O-CG 3.22Å; V136-R142 WeakPolarHBondContact O-CG 3.49Å
137G94.7Very high95.6Very high61 Ų6150.9 Ų50.963%0.62925%0.247SC*.SBendtrans77.2-145.8-178.400000112.8A135 P139A135-G137 PolarHBondContact O-N 3.44Å; G137-P139 WeakPolarHBondContact O-CD 3.24Å
138N96.1Very high95.5Very high65 Ų6550.6 Ų50.635%0.34825%0.246SC..  trans-82.3110.6-177.2180-7.2000111.2Y140 E141 R142N138-Y140 PolarHBondContact O-N 3.16Å; N138-Y140 VanDerWaalsContact O-N 3.13Å; N138-Y140 WeakPolarHBondContact OD1-CD2 3.26Å; N138-Y140 PolarHBondContact OD1-N 2.97Å; N138-Y140 VanDerWaalsContact OD1-N 3.16Å; N138-E141 HydrophobicContact CB-CB 4.31Å; N138-E141 HydrophobicContact CB-CG 4.23Å; N138-E141 PolarHBondContact ND2-OE1 3.36Å; N138-E141 PolarHBondContact O-N 3.3Å; N138-E141 VanDerWaalsContact O-N 3.1Å; N138-R142 VanDerWaalsContact O-CG 3.31Å; N138-R142 WeakPolarHBondContact O-CG 3.21Å; N138-R142 PolarHBondContact O-N 2.78Å; N138-R142 VanDerWaalsContact O-N 3.11Å
139P97Very high95.5Very high11 Ų1150.4 Ų50.47%0.07124%0.244CC..Hα-helixtrans-58.4-31.7-174.324-34.1000113.8A135 G137 R142 F143 N167 A171A135-P139 HydrophobicContact CB-CB 3.81Å; G137-P139 WeakPolarHBondContact O-CD 3.24Å; P139-R142 PolarHBondContact O-N 2.98Å; P139-F143 HydrophobicContact CB-CD2 4.43Å; P139-F143 HydrophobicContact CB-CE2 4.01Å; P139-F143 VanDerWaalsContact O-CD2 3.3Å; P139-F143 WeakPolarHBondContact O-CD2 3.47Å; P139-F143 WeakPolarHBondContact O-CG 3.46Å; P139-F143 PolarHBondContact O-N 3.16Å; P139-N167 HydrophobicContact CG-CB 4Å; P139-N167 WeakPolarHBondContact CG-O 3.45Å; P139-A171 HydrophobicContact CB-CB 3.74Å; P139-A171 HydrophobicContact CG-CB 4.13Å
140Y96.4Very high95.6Very high69 Ų6941.8 Ų41.827%0.27121%0.211SC..Hα-helixtrans-62.9-46.9177.5-65.9-89.2000111.8N138 H144 A171 E174 Y175N138-Y140 PolarHBondContact O-N 3.16Å; N138-Y140 VanDerWaalsContact O-N 3.13Å; N138-Y140 WeakPolarHBondContact OD1-CD2 3.26Å; N138-Y140 PolarHBondContact OD1-N 2.97Å; N138-Y140 VanDerWaalsContact OD1-N 3.16Å; Y140-H144 VanDerWaalsContact O-CB 3.23Å; Y140-H144 WeakPolarHBondContact O-CB 3.46Å; Y140-H144 PolarHBondContact O-N 3.15Å; Y140-H144 VanDerWaalsContact O-N 3.12Å; Y140-A171 HydrophobicContact CD1-CB 3.86Å; Y140-A171 HydrophobicContact CD2-CB 4.15Å; Y140-A171 HydrophobicContact CE1-CB 3.96Å; Y140-A171 HydrophobicContact CE2-CB 4.24Å; Y140-A171 HydrophobicContact CG-CB 3.95Å; Y140-E174 HydrophobicContact CE1-CB 4.2Å; Y140-E174 HydrophobicContact CE1-CG 4.45Å; Y140-Y175 AromaticContact CD1-CE2 3.84Å; Y140-Y175 HydrophobicContact CD1-CE2 3.84Å; Y140-Y175 HydrophobicContact CG-CE2 4.35Å; Y140-Y175 VanDerWaalsContact O-CE2 3.24Å; Y140-Y175 WeakPolarHBondContact O-CE2 3.48Å
141E93.3Very high95.6Very high116 Ų11636.4 Ų36.454%0.54218%0.183SC..Hα-helixtrans-63.8-44175.8-69.5166.7-152.300110.5N138 F143 H144 E145N138-E141 HydrophobicContact CB-CB 4.31Å; N138-E141 HydrophobicContact CB-CG 4.23Å; N138-E141 PolarHBondContact ND2-OE1 3.36Å; N138-E141 PolarHBondContact O-N 3.3Å; N138-E141 VanDerWaalsContact O-N 3.1Å; E141-F143 PolarHBondContact O-N 3.06Å; E141-H144 PolarHBondContact O-N 3.05Å; E141-E145 VanDerWaalsContact O-CG 3.27Å; E141-E145 WeakPolarHBondContact O-CG 3.33Å; E141-E145 PolarHBondContact O-N 3.19Å
142R93.1Very high95.6Very high25 Ų2533.4 Ų33.49%0.09417%0.168CC..Hα-helixtrans-66.8-38-175.1-57.7-53.9-75.3161.9-4.2113.8K101 R102 R103 V136 N138 P139 E145 D146 R149K101-R142 PolarHBondContact O-NH2 3.4Å; R102-R142 VanDerWaalsContact CA-NH2 3.29Å; R102-R142 PolarHBondContact O-NH2 2.94Å; R103-R142 PolarHBondContact O-NH2 3.48Å; V136-R142 WeakPolarHBondContact O-CD 3.21Å; V136-R142 VanDerWaalsContact O-CG 3.22Å; V136-R142 WeakPolarHBondContact O-CG 3.49Å; N138-R142 VanDerWaalsContact O-CG 3.31Å; N138-R142 WeakPolarHBondContact O-CG 3.21Å; N138-R142 PolarHBondContact O-N 2.78Å; N138-R142 VanDerWaalsContact O-N 3.11Å; P139-R142 PolarHBondContact O-N 2.98Å; R142-E145 IonicContact CZ-OE2 3.52Å; R142-E145 IonicContact NE-OE2 2.67Å; R142-E145 IonicContact NH1-OE1 3.36Å; R142-E145 IonicContact NH1-OE2 3.36Å; R142-E145 PolarHBondContact NH1-OE2 3.35Å; R142-D146 PolarHBondContact O-N 2.99Å; R142-R149 WeakPolarHBondContact O-CD 3.12Å; R142-R149 PolarHBondContact O-NH1 3.41Å
143F94.6Very high95.6Very high1 Ų131.8 Ų31.80%0.00416%0.158CC..Hα-helixtrans-81.7-26.7178.5-61.3-28.3000112.6F105 A135 P139 E141 D146 A147 R149 M150 T168 A171 I172 Y175F105-F143 HydrophobicContact CE1-CE1 4.46Å; F105-F143 HydrophobicContact CE1-CZ 4.44Å; A135-F143 HydrophobicContact CB-CZ 4.43Å; P139-F143 HydrophobicContact CB-CD2 4.43Å; P139-F143 HydrophobicContact CB-CE2 4.01Å; P139-F143 VanDerWaalsContact O-CD2 3.3Å; P139-F143 WeakPolarHBondContact O-CD2 3.47Å; P139-F143 WeakPolarHBondContact O-CG 3.46Å; P139-F143 PolarHBondContact O-N 3.16Å; E141-F143 PolarHBondContact O-N 3.06Å; F143-D146 CarbonylContact O-C 3.41Å; F143-A147 VanDerWaalsContact O-CA 3.26Å; F143-A147 WeakPolarHBondContact O-CA 3.47Å; F143-A147 PolarHBondContact O-N 3.31Å; F143-R149 HydrophobicContact CD1-CB 3.65Å; F143-R149 HydrophobicContact CE1-CB 3.8Å; F143-M150 HydrophobicContact CB-CG 3.92Å; F143-M150 HydrophobicContact CB-SD 4.39Å; F143-M150 HydrophobicContact CD1-CG 4.02Å; F143-M150 HydrophobicContact CD2-CG 4.02Å; F143-M150 HydrophobicContact CG-CG 3.72Å; F143-T168 HydrophobicContact CE2-CG2 4.08Å; F143-T168 WeakPolarHBondContact CE2-O 3.46Å; F143-T168 HydrophobicContact CZ-CG2 3.77Å; F143-A171 HydrophobicContact CD2-CB 3.63Å; F143-A171 HydrophobicContact CE2-CB 3.9Å; F143-I172 HydrophobicContact CD2-CG1 4.04Å; F143-I172 HydrophobicContact CE2-CD1 4.33Å; F143-I172 HydrophobicContact CE2-CG1 3.52Å; F143-I172 HydrophobicContact CZ-CD1 4.41Å; F143-I172 HydrophobicContact CZ-CG1 4Å; F143-Y175 HydrophobicContact CB-CD2 4.34Å
144H91.3Very high95.7Very high76 Ų7631.8 Ų31.835%0.35216%0.158SC..Hα-helixtrans-67-41.8167.4-170.1-89.6000110.8Y84 Y140 E141 Y175Y84-H144 WeakPolarHBondContact CA-O 3.44Å; Y84-H144 WeakPolarHBondContact CB-O 3.45Å; Y84-H144 WeakPolarHBondContact CD1-O 3.07Å; Y84-H144 AromaticContact CE1-CD2 3.9Å; Y84-H144 AromaticContact CE1-CE1 3.46Å; Y84-H144 VanDerWaalsContact CE1-CE1 3.46Å; Y84-H144 WeakPolarHBondContact CE1-CE1 3.43Å; Y84-H144 AromaticContact CE1-ND1 3.94Å; Y84-H144 AromaticContact CE1-NE2 3.41Å; Y84-H144 WeakPolarHBondContact CE1-NE2 3.26Å; Y140-H144 VanDerWaalsContact O-CB 3.23Å; Y140-H144 WeakPolarHBondContact O-CB 3.46Å; Y140-H144 PolarHBondContact O-N 3.15Å; Y140-H144 VanDerWaalsContact O-N 3.12Å; E141-H144 PolarHBondContact O-N 3.05Å; H144-Y175 HydrophobicContact CB-CE2 4.33Å; H144-Y175 AromaticContact CD2-CE1 3.93Å
145E89.5Confident95.6Very high47 Ų4729.6 Ų29.622%0.2215%0.15CC..Hα-helixtrans-60.1-54.4174.8-73.3165.4179.300113.2Y81 Y84 R85 E141 R142 R149Y81-E145 WeakPolarHBondContact CB-O 3.43Å; Y81-E145 HydrophobicContact CD1-CB 4.13Å; Y81-E145 WeakPolarHBondContact CD1-O 3.41Å; Y81-E145 HydrophobicContact CD2-CB 3.71Å; Y81-E145 HydrophobicContact CD2-CG 3.75Å; Y81-E145 HydrophobicContact CE1-CB 4.41Å; Y81-E145 HydrophobicContact CE2-CB 4.06Å; Y81-E145 HydrophobicContact CE2-CG 4.25Å; Y81-E145 HydrophobicContact CG-CB 3.76Å; Y81-E145 HydrophobicContact CG-CG 4.15Å; Y84-E145 CarbonylContact C-O 3.41Å; Y84-E145 WeakPolarHBondContact CA-O 3.38Å; R85-E145 PolarHBondContact N-O 2.7Å; R85-E145 VanDerWaalsContact N-O 3.17Å; E141-E145 VanDerWaalsContact O-CG 3.27Å; E141-E145 WeakPolarHBondContact O-CG 3.33Å; E141-E145 PolarHBondContact O-N 3.19Å; R142-E145 IonicContact CZ-OE2 3.52Å; R142-E145 IonicContact NE-OE2 2.67Å; R142-E145 IonicContact NH1-OE1 3.36Å; R142-E145 IonicContact NH1-OE2 3.36Å; R142-E145 PolarHBondContact NH1-OE2 3.35Å; E145-R149 IonicContact OE2-CZ 3.1Å; E145-R149 IonicContact OE2-NH1 3.91Å; E145-R149 PolarHBondContact OE2-NH1 2.8Å
146D91.1Very high95.6Very high16 Ų1630 Ų309%0.08615%0.151CC..  trans-133.198.8177.8-178.78.3000110.1Y81 Y84 R142 F143 L148 R149 R186Y81-D146 HydrophobicContact CE1-CB 4.21Å; Y84-D146 WeakPolarHBondContact O-CA 3.31Å; R142-D146 PolarHBondContact O-N 2.99Å; F143-D146 CarbonylContact O-C 3.41Å; D146-L148 PolarHBondContact O-N 2.72Å; D146-L148 VanDerWaalsContact O-N 3.12Å; D146-L148 VanDerWaalsContact OD1-CB 3.26Å; D146-L148 WeakPolarHBondContact OD1-CB 3.44Å; D146-L148 PolarHBondContact OD1-N 3.35Å; D146-L148 VanDerWaalsContact OD1-N 3.07Å; D146-R149 HydrophobicContact CB-CG 4.12Å; D146-R149 VanDerWaalsContact O-CB 3.27Å; D146-R149 WeakPolarHBondContact O-CB 3.46Å; D146-R149 WeakPolarHBondContact O-CG 3.4Å; D146-R149 PolarHBondContact O-N 3.13Å; D146-R186 IonicContact OD1-NH1 3.64Å; D146-R186 IonicContact OD2-NH2 2.7Å
147A94.9Very high95.7Very high0 Ų030 Ų300%015%0.151CC..THydrogen-bonded Turntrans-63.3-20-178.100000112.7Y84 F143 R149 M150 L178 L179 I182Y84-A147 PolarHBondContact O-N 2.93Å; F143-A147 VanDerWaalsContact O-CA 3.26Å; F143-A147 WeakPolarHBondContact O-CA 3.47Å; F143-A147 PolarHBondContact O-N 3.31Å; A147-R149 PolarHBondContact O-N 3.21Å; A147-M150 HydrophobicContact CB-CE 3.63Å; A147-M150 WeakPolarHBondContact O-CB 3.33Å; A147-M150 WeakPolarHBondContact O-CE 3.46Å; A147-M150 PolarHBondContact O-N 3.33Å; A147-L178 HydrophobicContact CB-CB 3.61Å; A147-L179 WeakPolarHBondContact O-CD2 3.42Å; A147-I182 HydrophobicContact CB-CD1 3.99Å; A147-I182 HydrophobicContact CB-CG1 3.93Å
148L95.9Very high95.9Very high5 Ų527.1 Ų27.13%0.02612%0.121CC..Hα-helixtrans-64-24.5174.3-173.569.3000112.1D146 M150 M151 R152 I182 R186 E190D146-L148 PolarHBondContact O-N 2.72Å; D146-L148 VanDerWaalsContact O-N 3.12Å; D146-L148 VanDerWaalsContact OD1-CB 3.26Å; D146-L148 WeakPolarHBondContact OD1-CB 3.44Å; D146-L148 PolarHBondContact OD1-N 3.35Å; D146-L148 VanDerWaalsContact OD1-N 3.07Å; L148-M150 PolarHBondContact O-N 3.5Å; L148-M150 VanDerWaalsContact O-N 3.16Å; L148-M151 HydrophobicContact CD1-CB 4.15Å; L148-M151 PolarHBondContact O-N 3.05Å; L148-R152 HydrophobicContact CG-CG 4.49Å; L148-R152 WeakPolarHBondContact O-CG 3.38Å; L148-R152 PolarHBondContact O-N 2.86Å; L148-I182 HydrophobicContact CB-CD1 4.46Å; L148-I182 HydrophobicContact CB-CG2 4.27Å; L148-I182 HydrophobicContact CD1-CG2 3.99Å; L148-R186 HydrophobicContact CD1-CB 4.12Å; L148-R186 HydrophobicContact CD2-CB 3.92Å; L148-R186 HydrophobicContact CD2-CG 4.45Å; L148-R186 VanDerWaalsContact CD2-NE 3.32Å; L148-E190 HydrophobicContact CD1-CG 3.89Å; L148-E190 HydrophobicContact CG-CG 4.29Å
149R96.7Very high95.9Very high11 Ų1126.8 Ų26.84%0.04212%0.118CC..Hα-helixtrans-57.3-28.8176.1-70176.5178.1153.10.4112.2E78 R102 D104 F105 R142 F143 E145 D146 A147 R152 A153E78-R149 IonicContact OE2-NH2 3.66Å; E78-R149 PolarHBondContact OE2-NH2 3.24Å; R102-R149 PolarHBondContact O-NH2 3.15Å; D104-R149 HydrophobicContact CB-CG 4.17Å; F105-R149 WeakPolarHBondContact CZ-O 3.43Å; R142-R149 WeakPolarHBondContact O-CD 3.12Å; R142-R149 PolarHBondContact O-NH1 3.41Å; F143-R149 HydrophobicContact CD1-CB 3.65Å; F143-R149 HydrophobicContact CE1-CB 3.8Å; E145-R149 IonicContact OE2-CZ 3.1Å; E145-R149 IonicContact OE2-NH1 3.91Å; E145-R149 PolarHBondContact OE2-NH1 2.8Å; D146-R149 HydrophobicContact CB-CG 4.12Å; D146-R149 VanDerWaalsContact O-CB 3.27Å; D146-R149 WeakPolarHBondContact O-CB 3.46Å; D146-R149 WeakPolarHBondContact O-CG 3.4Å; D146-R149 PolarHBondContact O-N 3.13Å; A147-R149 PolarHBondContact O-N 3.21Å; R149-R152 WeakPolarHBondContact O-CB 3.27Å; R149-R152 PolarHBondContact O-N 3.3Å; R149-A153 PolarHBondContact O-N 3.05Å
150M98Very high95.8Very high0 Ų026.9 Ų26.90%012%0.118CC..Hα-helixtrans-62.6-49.9172.8-62-174.1-79.900111.9F143 A147 L148 R152 A153 L154 I172 Y175 L178 L179F143-M150 HydrophobicContact CB-CG 3.92Å; F143-M150 HydrophobicContact CB-SD 4.39Å; F143-M150 HydrophobicContact CD1-CG 4.02Å; F143-M150 HydrophobicContact CD2-CG 4.02Å; F143-M150 HydrophobicContact CG-CG 3.72Å; A147-M150 HydrophobicContact CB-CE 3.63Å; A147-M150 WeakPolarHBondContact O-CB 3.33Å; A147-M150 WeakPolarHBondContact O-CE 3.46Å; A147-M150 PolarHBondContact O-N 3.33Å; L148-M150 PolarHBondContact O-N 3.5Å; L148-M150 VanDerWaalsContact O-N 3.16Å; M150-R152 PolarHBondContact O-N 2.88Å; M150-A153 VanDerWaalsContact O-CB 3.25Å; M150-A153 WeakPolarHBondContact O-CB 3.44Å; M150-A153 PolarHBondContact O-N 3.14Å; M150-L154 WeakPolarHBondContact O-CG 3.37Å; M150-L154 PolarHBondContact O-N 3.48Å; M150-L154 VanDerWaalsContact O-N 3.16Å; M150-I172 HydrophobicContact CB-CG1 4.2Å; M150-I172 HydrophobicContact CB-CG2 4.16Å; M150-I172 HydrophobicContact CG-CB 4.42Å; M150-I172 HydrophobicContact CG-CG1 3.99Å; M150-I172 HydrophobicContact CG-CG2 4.3Å; M150-I172 HydrophobicContact SD-CB 4.43Å; M150-I172 HydrophobicContact SD-CG2 4.18Å; M150-Y175 WeakPolarHBondContact CE-O 3.25Å; M150-L178 HydrophobicContact CE-CB 4.38Å; M150-L179 HydrophobicContact CE-CD2 3.99Å; M150-L179 HydrophobicContact CE-CG 3.93Å
151M98.1Very high95.8Very high0 Ų024.9 Ų24.90%012%0.118CC..Hα-helixtrans-61-35.9175.6-74.2-61.5-65.100112.2L148 L154 R155 L179 I187 E190 F191 F207L148-M151 HydrophobicContact CD1-CB 4.15Å; L148-M151 PolarHBondContact O-N 3.05Å; M151-L154 PolarHBondContact O-N 3.25Å; M151-L154 HydrophobicContact SD-CD1 4.39Å; M151-R155 WeakPolarHBondContact O-CB 3.46Å; M151-R155 PolarHBondContact O-N 3.07Å; M151-L179 HydrophobicContact CG-CD1 4.11Å; M151-L179 HydrophobicContact CG-CD2 3.75Å; M151-L179 HydrophobicContact SD-CD1 4.04Å; M151-I187 HydrophobicContact CE-CG2 4.2Å; M151-E190 HydrophobicContact CB-CB 3.88Å; M151-E190 HydrophobicContact CB-CG 4.32Å; M151-F191 HydrophobicContact CE-CB 3.97Å; M151-F191 HydrophobicContact CE-CD2 4.31Å; M151-F207 HydrophobicContact CE-CE2 4.06Å; M151-F207 HydrophobicContact SD-CD2 4.14Å; M151-F207 HydrophobicContact SD-CE2 3.69Å
152R98Very high96.1Very high67 Ų6719.7 Ų19.725%0.2539%0.094SC..Hα-helixtrans-64.8-39.8174.4-65.7171.659.380.4-3.3111.8D104 F105 L148 R149 M150 R155 F156 E190D104-R152 IonicContact OD2-CZ 3.86Å; D104-R152 IonicContact OD2-NE 3.77Å; D104-R152 PolarHBondContact OD2-NE 3.02Å; D104-R152 IonicContact OD2-NH2 3.48Å; D104-R152 PolarHBondContact OD2-NH2 3.2Å; F105-R152 HydrophobicContact CE2-CB 4.11Å; L148-R152 HydrophobicContact CG-CG 4.49Å; L148-R152 WeakPolarHBondContact O-CG 3.38Å; L148-R152 PolarHBondContact O-N 2.86Å; R149-R152 WeakPolarHBondContact O-CB 3.27Å; R149-R152 PolarHBondContact O-N 3.3Å; M150-R152 PolarHBondContact O-N 2.88Å; R152-R155 PolarHBondContact O-N 3.25Å; R152-F156 HydrophobicContact CB-CE2 4.34Å; R152-F156 WeakPolarHBondContact O-CD2 3.17Å; R152-F156 WeakPolarHBondContact O-CG 3.49Å; R152-F156 PolarHBondContact O-N 3.37Å; R152-E190 HydrophobicContact CG-CG 4.12Å; R152-E190 WeakPolarHBondContact CG-OE1 3.32Å; R152-E190 IonicContact NH1-OE1 3.24Å; R152-E190 PolarHBondContact NH1-OE1 3.24Å
153A98.5Very high96.3Very high0 Ų023.5 Ų23.50%012%0.12CC..Hα-helixtrans-57.4-52.9176.500000110.3F105 L133 R149 M150 R155 F156 V157 L164 I172F105-A153 HydrophobicContact CE1-CB 3.71Å; F105-A153 HydrophobicContact CE2-CB 4.45Å; F105-A153 VanDerWaalsContact CZ-CA 3.42Å; F105-A153 HydrophobicContact CZ-CB 3.42Å; F105-A153 VanDerWaalsContact CZ-CB 3.42Å; L133-A153 HydrophobicContact CD2-CB 4.29Å; L133-A153 VanDerWaalsContact CD2-O 3.23Å; L133-A153 WeakPolarHBondContact CD2-O 3.46Å; R149-A153 PolarHBondContact O-N 3.05Å; M150-A153 VanDerWaalsContact O-CB 3.25Å; M150-A153 WeakPolarHBondContact O-CB 3.44Å; M150-A153 PolarHBondContact O-N 3.14Å; A153-R155 VanDerWaalsContact C-N 3.35Å; A153-R155 PolarHBondContact O-N 3.18Å; A153-F156 PolarHBondContact O-N 2.99Å; A153-V157 WeakPolarHBondContact O-CG2 3.45Å; A153-V157 PolarHBondContact O-N 3.25Å; A153-L164 HydrophobicContact CB-CD2 3.98Å; A153-I172 HydrophobicContact CB-CD1 3.76Å
154L98.5Very high96.5Very high0 Ų024.3 Ų24.30%012%0.124CC..Hα-helixtrans-60.8-42.7179-59.8174.2000111.9M150 M151 F156 V157 S158 L164 L194 F207 C212M150-L154 WeakPolarHBondContact O-CG 3.37Å; M150-L154 PolarHBondContact O-N 3.48Å; M150-L154 VanDerWaalsContact O-N 3.16Å; M151-L154 PolarHBondContact O-N 3.25Å; M151-L154 HydrophobicContact SD-CD1 4.39Å; L154-F156 VanDerWaalsContact C-N 3.33Å; L154-F156 PolarHBondContact O-N 2.96Å; L154-V157 WeakPolarHBondContact O-CB 3.38Å; L154-V157 PolarHBondContact O-N 3.05Å; L154-S158 PolarHBondContact O-N 3.29Å; L154-S158 VanDerWaalsContact O-N 3.09Å; L154-L164 HydrophobicContact CD2-CD1 4.23Å; L154-L194 HydrophobicContact CB-CD1 4.17Å; L154-L194 VanDerWaalsContact O-CD1 3.27Å; L154-L194 WeakPolarHBondContact O-CD1 3.26Å; L154-F207 HydrophobicContact CD1-CB 3.9Å; L154-F207 HydrophobicContact CD1-CD2 3.57Å; L154-F207 HydrophobicContact CD1-CG 4.21Å; L154-C212 HydrophobicContact CD1-CB 4.05Å
155R98.1Very high96.8Very high46 Ų4621.3 Ų21.317%0.17411%0.11CC..Hα-helixtrans-58.6-44.4172.9173.5-167.9156.9-167.5-9.6111.6M151 R152 A153 S158 H159 E190 K193M151-R155 WeakPolarHBondContact O-CB 3.46Å; M151-R155 PolarHBondContact O-N 3.07Å; R152-R155 PolarHBondContact O-N 3.25Å; A153-R155 VanDerWaalsContact C-N 3.35Å; A153-R155 PolarHBondContact O-N 3.18Å; R155-S158 WeakPolarHBondContact O-CB 3.27Å; R155-S158 PolarHBondContact O-N 3.23Å; R155-H159 PolarHBondContact O-N 3.37Å; R155-H159 PolarHBondContact O-ND1 3.36Å; R155-E190 WeakPolarHBondContact CD-OE2 3.28Å; R155-E190 IonicContact CZ-OE2 2.75Å; R155-E190 IonicContact NE-OE2 2.82Å; R155-E190 IonicContact NH1-OE1 2.8Å; R155-E190 IonicContact NH1-OE2 3.13Å; R155-E190 PolarHBondContact NH1-OE2 2.82Å; R155-K193 HydrophobicContact CG-CB 3.87Å
156F97.9Very high97.2Very high11 Ų1123.2 Ų23.25%0.04813%0.126CC..Hα-helixtrans-66.9-38.1-179.4-77.6-53.1000111.8F105 N108 L133 R152 A153 L154 S158 H159 L160F105-F156 AromaticContact CD2-CD2 3.61Å; F105-F156 HydrophobicContact CD2-CD2 3.61Å; F105-F156 AromaticContact CD2-CE2 3.7Å; F105-F156 HydrophobicContact CD2-CE2 3.7Å; F105-F156 AromaticContact CE2-CD2 3.56Å; F105-F156 HydrophobicContact CE2-CD2 3.56Å; F105-F156 AromaticContact CE2-CE2 3.76Å; F105-F156 HydrophobicContact CE2-CE2 3.76Å; N108-F156 WeakPolarHBondContact ND2-CE2 3.25Å; N108-F156 WeakPolarHBondContact ND2-CZ 3.4Å; L133-F156 HydrophobicContact CD1-CB 4.12Å; L133-F156 HydrophobicContact CD2-CB 3.69Å; R152-F156 HydrophobicContact CB-CE2 4.34Å; R152-F156 WeakPolarHBondContact O-CD2 3.17Å; R152-F156 WeakPolarHBondContact O-CG 3.49Å; R152-F156 PolarHBondContact O-N 3.37Å; A153-F156 PolarHBondContact O-N 2.99Å; L154-F156 VanDerWaalsContact C-N 3.33Å; L154-F156 PolarHBondContact O-N 2.96Å; F156-S158 VanDerWaalsContact C-N 3.27Å; F156-S158 PolarHBondContact O-N 2.99Å; F156-H159 PolarHBondContact O-N 3.2Å; F156-L160 HydrophobicContact CB-CD1 4.24Å; F156-L160 HydrophobicContact CD1-CD1 4.13Å; F156-L160 VanDerWaalsContact O-CB 3.24Å; F156-L160 WeakPolarHBondContact O-CB 3.31Å; F156-L160 WeakPolarHBondContact O-CG 3.31Å; F156-L160 PolarHBondContact O-N 3.4Å
157V98.4Very high97.6Very high3 Ų326.3 Ų26.32%0.01814%0.143CC..Hα-helixtrans-53-48.7168.5174.80000110L133 A153 L154 H159 G161 L164 A202L133-V157 HydrophobicContact CD2-CG2 4.05Å; A153-V157 WeakPolarHBondContact O-CG2 3.45Å; A153-V157 PolarHBondContact O-N 3.25Å; L154-V157 WeakPolarHBondContact O-CB 3.38Å; L154-V157 PolarHBondContact O-N 3.05Å; V157-H159 PolarHBondContact O-N 3.25Å; V157-G161 WeakPolarHBondContact O-CA 3.46Å; V157-G161 PolarHBondContact O-N 3.46Å; V157-L164 HydrophobicContact CG2-CD1 3.91Å; V157-L164 HydrophobicContact CG2-CD2 4.27Å; V157-L164 HydrophobicContact CG2-CG 3.67Å; V157-A202 HydrophobicContact CG1-CB 3.9Å
158S98Very high97.7Very high0 Ų026.4 Ų26.40%014%0.143CC..Hα-helixtrans-63.9-30.7179.4173.50000114.9L154 R155 F156 L194 G197 S198 F199 R200L154-S158 PolarHBondContact O-N 3.29Å; L154-S158 VanDerWaalsContact O-N 3.09Å; R155-S158 WeakPolarHBondContact O-CB 3.27Å; R155-S158 PolarHBondContact O-N 3.23Å; F156-S158 VanDerWaalsContact C-N 3.27Å; F156-S158 PolarHBondContact O-N 2.99Å; S158-L194 WeakPolarHBondContact CB-O 3.4Å; S158-L194 PolarHBondContact OG-O 3.26Å; S158-G197 CarbonylContact O-C 2.91Å; S158-G197 VanDerWaalsContact O-C 3.32Å; S158-G197 WeakPolarHBondContact O-CA 3.29Å; S158-G197 VanDerWaalsContact OG-CA 3.23Å; S158-G197 WeakPolarHBondContact OG-CA 3.37Å; S158-G197 PolarHBondContact OG-N 3.02Å; S158-S198 PolarHBondContact O-N 2.82Å; S158-F199 CarbonylContact O-C 3.55Å; S158-F199 VanDerWaalsContact O-CA 3.31Å; S158-F199 WeakPolarHBondContact O-CA 3.33Å; S158-F199 WeakPolarHBondContact O-CB 3.44Å; S158-F199 PolarHBondContact O-N 3.22Å; S158-R200 WeakPolarHBondContact OG-CA 3.33Å
159H96.2Very high97.9Very high59 Ų5928.1 Ų28.127%0.27315%0.151SC..Hα-helixtrans-93.5-29.3-179.6-72.572.8000114.4K28 R155 F156 V157 K193K28-H159 PolarHBondContact NZ-O 3.01Å; K28-H159 VanDerWaalsContact NZ-O 3.16Å; R155-H159 PolarHBondContact O-N 3.37Å; R155-H159 PolarHBondContact O-ND1 3.36Å; F156-H159 PolarHBondContact O-N 3.2Å; V157-H159 PolarHBondContact O-N 3.25Å; H159-K193 PolarHBondContact CE1-O 2.92Å
160L95.8Very high97.9Very high13 Ų1332.1 Ų32.17%0.06817%0.17CC..Hα-helixtrans-103.4-24.1-172.2-56.5-179.3000112.2L26 I107 F156 F162L26-L160 HydrophobicContact CD1-CD2 4.18Å; I107-L160 HydrophobicContact CD1-CD1 3.55Å; F156-L160 HydrophobicContact CB-CD1 4.24Å; F156-L160 HydrophobicContact CD1-CD1 4.13Å; F156-L160 VanDerWaalsContact O-CB 3.24Å; F156-L160 WeakPolarHBondContact O-CB 3.31Å; F156-L160 WeakPolarHBondContact O-CG 3.31Å; F156-L160 PolarHBondContact O-N 3.4Å; L160-F162 VanDerWaalsContact C-N 3.26Å; L160-F162 HydrophobicContact CB-CB 4.37Å; L160-F162 HydrophobicContact CB-CD1 3.66Å; L160-F162 HydrophobicContact CB-CD2 4.44Å; L160-F162 HydrophobicContact CB-CE1 4.01Å; L160-F162 HydrophobicContact CB-CG 3.9Å; L160-F162 HydrophobicContact CD1-CD2 4.37Å; L160-F162 HydrophobicContact CD1-CE2 4.46Å; L160-F162 WeakPolarHBondContact O-CD1 3.38Å
161G96.3Very high98Very high27 Ų2732.1 Ų32.128%0.27817%0.17SC..  trans67.630.3-173.300000112.1V157 F199V157-G161 WeakPolarHBondContact O-CA 3.46Å; V157-G161 PolarHBondContact O-N 3.46Å; G161-F199 VanDerWaalsContact N-CD2 3.26Å
162F98.1Very high98Very high7 Ų732.1 Ų32.13%0.03117%0.17CC..PPolyproline II helixtrans-90.5152.7179.1-76.520.1000109.8L26 I107 L128 K131 L133 L160L26-F162 HydrophobicContact CD1-CZ 4.23Å; L26-F162 HydrophobicContact CD2-CZ 4.25Å; I107-F162 HydrophobicContact CD1-CD2 4.03Å; I107-F162 HydrophobicContact CD1-CE2 3.92Å; I107-F162 HydrophobicContact CG2-CE2 4.29Å; L128-F162 HydrophobicContact CD1-CE2 4.01Å; L128-F162 HydrophobicContact CD1-CZ 3.94Å; K131-F162 HydrophobicContact CB-CD1 3.63Å; K131-F162 HydrophobicContact CB-CE1 3.8Å; K131-F162 HydrophobicContact CB-CG 4.07Å; K131-F162 HydrophobicContact CB-CZ 4.34Å; K131-F162 HydrophobicContact CD-CE1 4.44Å; K131-F162 HydrophobicContact CG-CD1 4.08Å; K131-F162 HydrophobicContact CG-CE1 3.77Å; K131-F162 HydrophobicContact CG-CZ 4.33Å; K131-F162 CarbonylContact O-C 3.56Å; K131-F162 WeakPolarHBondContact O-CA 3.31Å; K131-F162 VanDerWaalsContact O-CB 3.25Å; K131-F162 WeakPolarHBondContact O-CB 3.41Å; K131-F162 WeakPolarHBondContact O-CG 3.41Å; L133-F162 HydrophobicContact CB-CB 4.21Å; L160-F162 VanDerWaalsContact C-N 3.26Å; L160-F162 HydrophobicContact CB-CB 4.37Å; L160-F162 HydrophobicContact CB-CD1 3.66Å; L160-F162 HydrophobicContact CB-CD2 4.44Å; L160-F162 HydrophobicContact CB-CE1 4.01Å; L160-F162 HydrophobicContact CB-CG 3.9Å; L160-F162 HydrophobicContact CD1-CD2 4.37Å; L160-F162 HydrophobicContact CD1-CE2 4.46Å; L160-F162 WeakPolarHBondContact O-CD1 3.38Å
163T98.3Very high98Very high105 Ų10532.8 Ų32.864%0.64418%0.176SC*.EExtended strand (participates in β ladder)trans-90.1136.3174.1-54.80000109.7K131 V132 L133 E165K131-T163 PolarHBondContact O-N 3.32Å; V132-T163 WeakPolarHBondContact CA-O 3.33Å; L133-T163 PolarHBondContact N-O 2.91Å; T163-E165 PolarHBondContact O-N 2.82Å
164L98.5Very high98Very high18 Ų1838.8 Ų38.89%0.09420%0.204CC..EExtended strand (participates in β ladder)trans-66.1134.4172.2-77.5161.7000110L133 A153 L154 V157 T168 F169 I172L133-L164 HydrophobicContact CB-CD2 4.23Å; L133-L164 HydrophobicContact CD2-CD2 3.77Å; L133-L164 HydrophobicContact CG-CD2 4.19Å; A153-L164 HydrophobicContact CB-CD2 3.98Å; L154-L164 HydrophobicContact CD2-CD1 4.23Å; V157-L164 HydrophobicContact CG2-CD1 3.91Å; V157-L164 HydrophobicContact CG2-CD2 4.27Å; V157-L164 HydrophobicContact CG2-CG 3.67Å; L164-T168 HydrophobicContact CD2-CG2 4.02Å; L164-F169 HydrophobicContact CB-CB 4.08Å; L164-F169 HydrophobicContact CB-CD2 4.44Å; L164-F169 HydrophobicContact CD1-CD2 3.75Å; L164-F169 HydrophobicContact CD1-CE2 4.46Å; L164-I172 HydrophobicContact CD1-CD1 4.02Å; L164-I172 HydrophobicContact CD2-CD1 4.21Å
165E98.5Very high97.9Very high13 Ų1341.6 Ų41.66%0.06122%0.215CC..PPolyproline II helixtrans-64143.4171.6-173.8-85.9161.800111.1V132 L133 R134 T163 N167 T168 F169V132-E165 HydrophobicContact CG1-CB 3.82Å; V132-E165 HydrophobicContact CG1-CG 4.35Å; L133-E165 PolarHBondContact O-N 2.95Å; R134-E165 HydrophobicContact CB-CB 4.06Å; R134-E165 HydrophobicContact CB-CG 4.31Å; R134-E165 HydrophobicContact CG-CB 4.28Å; R134-E165 HydrophobicContact CG-CG 4.07Å; R134-E165 IonicContact CZ-OE1 3.8Å; R134-E165 IonicContact NH1-OE1 2.92Å; R134-E165 PolarHBondContact NH1-OE1 2.88Å; R134-E165 IonicContact NH1-OE2 3.93Å; R134-E165 VanDerWaalsContact NH2-CG 3.31Å; T163-E165 PolarHBondContact O-N 2.82Å; E165-N167 PolarHBondContact O-N 2.85Å; E165-N167 PolarHBondContact OE1-ND2 3.26Å; E165-N167 WeakPolarHBondContact OE2-CB 3.42Å; E165-N167 PolarHBondContact OE2-N 3.3Å; E165-N167 VanDerWaalsContact OE2-N 3.09Å; E165-T168 CarbonylContact O-C 3.56Å; E165-T168 WeakPolarHBondContact O-CA 3.32Å; E165-T168 WeakPolarHBondContact O-CB 3.47Å; E165-T168 PolarHBondContact O-N 3.34Å; E165-T168 PolarHBondContact OE2-N 3.27Å; E165-T168 PolarHBondContact OE2-OG1 2.79Å; E165-F169 PolarHBondContact O-N 3.47Å
166P98.2Very high97.8Very high86 Ų8640.6 Ų40.656%0.55821%0.212SC*.Hα-helixtrans-54-51.3-170.8-30.536.8000115.1T168 F169 E170P166-T168 VanDerWaalsContact C-N 3.27Å; P166-T168 PolarHBondContact O-N 2.84Å; P166-F169 PolarHBondContact O-N 3.16Å; P166-F169 VanDerWaalsContact O-N 3.15Å; P166-E170 WeakPolarHBondContact O-CG 3.38Å; P166-E170 PolarHBondContact O-N 3.46Å
167N98.1Very high97.8Very high82 Ų8242.3 Ų42.344%0.43923%0.226SC..Hα-helixtrans-65.6-34.1179.5-58.8-65000111.7P139 E165 A171P139-N167 HydrophobicContact CG-CB 4Å; P139-N167 WeakPolarHBondContact CG-O 3.45Å; E165-N167 PolarHBondContact O-N 2.85Å; E165-N167 PolarHBondContact OE1-ND2 3.26Å; E165-N167 WeakPolarHBondContact OE2-CB 3.42Å; E165-N167 PolarHBondContact OE2-N 3.3Å; E165-N167 VanDerWaalsContact OE2-N 3.09Å; N167-A171 VanDerWaalsContact O-CB 3.29Å; N167-A171 WeakPolarHBondContact O-CB 3.34Å; N167-A171 PolarHBondContact O-N 3.37Å
168T98.3Very high97.7Very high1 Ų143.3 Ų43.31%0.00623%0.231CC..Hα-helixtrans-64.5-42175-550000110.5A135 F143 L164 E165 P166 I172A135-T168 HydrophobicContact CB-CG2 4.22Å; A135-T168 PolarHBondContact N-OG1 3.2Å; F143-T168 HydrophobicContact CE2-CG2 4.08Å; F143-T168 WeakPolarHBondContact CE2-O 3.46Å; F143-T168 HydrophobicContact CZ-CG2 3.77Å; L164-T168 HydrophobicContact CD2-CG2 4.02Å; E165-T168 CarbonylContact O-C 3.56Å; E165-T168 WeakPolarHBondContact O-CA 3.32Å; E165-T168 WeakPolarHBondContact O-CB 3.47Å; E165-T168 PolarHBondContact O-N 3.34Å; E165-T168 PolarHBondContact OE2-N 3.27Å; E165-T168 PolarHBondContact OE2-OG1 2.79Å; P166-T168 VanDerWaalsContact C-N 3.27Å; P166-T168 PolarHBondContact O-N 2.84Å; T168-I172 WeakPolarHBondContact O-CG1 3.29Å; T168-I172 PolarHBondContact O-N 3.42Å
169F98.6Very high97.6Very high42 Ų4243.3 Ų43.318%0.18423%0.231CC..Hα-helixtrans-69.4-45175.9-173.2-112.3000112.4L164 E165 P166 A171 I172 Q173 E209L164-F169 HydrophobicContact CB-CB 4.08Å; L164-F169 HydrophobicContact CB-CD2 4.44Å; L164-F169 HydrophobicContact CD1-CD2 3.75Å; L164-F169 HydrophobicContact CD1-CE2 4.46Å; E165-F169 PolarHBondContact O-N 3.47Å; P166-F169 PolarHBondContact O-N 3.16Å; P166-F169 VanDerWaalsContact O-N 3.15Å; F169-A171 VanDerWaalsContact C-N 3.3Å; F169-A171 PolarHBondContact O-N 3.23Å; F169-I172 WeakPolarHBondContact O-CA 3.34Å; F169-I172 WeakPolarHBondContact O-CB 3.36Å; F169-I172 PolarHBondContact O-N 3.29Å; F169-Q173 HydrophobicContact CD1-CG 4.41Å; F169-Q173 VanDerWaalsContact CE1-CD 3.49Å; F169-Q173 HydrophobicContact CE1-CG 4.09Å; F169-Q173 HydrophobicContact CZ-CG 4.29Å; F169-Q173 PolarHBondContact O-N 3.03Å; F169-E209 HydrophobicContact CZ-CB 3.94Å
170E98.4Very high97.5Very high95 Ų9543.8 Ų43.844%0.44425%0.245SC..Hα-helixtrans-59-40.6176.9-73.9178.7-165.900111.9P166 I172 Q173 E174P166-E170 WeakPolarHBondContact O-CG 3.38Å; P166-E170 PolarHBondContact O-N 3.46Å; E170-I172 VanDerWaalsContact C-N 3.31Å; E170-I172 PolarHBondContact O-N 2.98Å; E170-Q173 WeakPolarHBondContact O-CB 3.23Å; E170-Q173 PolarHBondContact O-N 2.91Å; E170-Q173 VanDerWaalsContact O-N 3.15Å; E170-E174 PolarHBondContact O-N 2.87Å
171A98.4Very high97.4Very high0 Ų049.8 Ų49.80%027%0.271CS..Hα-helixtrans-66.4-31.1175.600000113.1P139 Y140 F143 N167 F169 Y175P139-A171 HydrophobicContact CB-CB 3.74Å; P139-A171 HydrophobicContact CG-CB 4.13Å; Y140-A171 HydrophobicContact CD1-CB 3.86Å; Y140-A171 HydrophobicContact CD2-CB 4.15Å; Y140-A171 HydrophobicContact CE1-CB 3.96Å; Y140-A171 HydrophobicContact CE2-CB 4.24Å; Y140-A171 HydrophobicContact CG-CB 3.95Å; F143-A171 HydrophobicContact CD2-CB 3.63Å; F143-A171 HydrophobicContact CE2-CB 3.9Å; N167-A171 VanDerWaalsContact O-CB 3.29Å; N167-A171 WeakPolarHBondContact O-CB 3.34Å; N167-A171 PolarHBondContact O-N 3.37Å; F169-A171 VanDerWaalsContact C-N 3.3Å; F169-A171 PolarHBondContact O-N 3.23Å; A171-Y175 PolarHBondContact O-N 3.18Å; A171-Y175 VanDerWaalsContact O-N 3.14Å
172I98.5Very high97.3Very high0 Ų048.9 Ų48.90%026%0.259CS..Hα-helixtrans-65.9-43.7171-64.8166.9000109.6F143 M150 A153 L164 T168 F169 E170 E174 Y175 H176 C212F143-I172 HydrophobicContact CD2-CG1 4.04Å; F143-I172 HydrophobicContact CE2-CD1 4.33Å; F143-I172 HydrophobicContact CE2-CG1 3.52Å; F143-I172 HydrophobicContact CZ-CD1 4.41Å; F143-I172 HydrophobicContact CZ-CG1 4Å; M150-I172 HydrophobicContact CB-CG1 4.2Å; M150-I172 HydrophobicContact CB-CG2 4.16Å; M150-I172 HydrophobicContact CG-CB 4.42Å; M150-I172 HydrophobicContact CG-CG1 3.99Å; M150-I172 HydrophobicContact CG-CG2 4.3Å; M150-I172 HydrophobicContact SD-CB 4.43Å; M150-I172 HydrophobicContact SD-CG2 4.18Å; A153-I172 HydrophobicContact CB-CD1 3.76Å; L164-I172 HydrophobicContact CD1-CD1 4.02Å; L164-I172 HydrophobicContact CD2-CD1 4.21Å; T168-I172 WeakPolarHBondContact O-CG1 3.29Å; T168-I172 PolarHBondContact O-N 3.42Å; F169-I172 WeakPolarHBondContact O-CA 3.34Å; F169-I172 WeakPolarHBondContact O-CB 3.36Å; F169-I172 PolarHBondContact O-N 3.29Å; E170-I172 VanDerWaalsContact C-N 3.31Å; E170-I172 PolarHBondContact O-N 2.98Å; I172-E174 PolarHBondContact O-N 3.07Å; I172-Y175 PolarHBondContact O-N 3.08Å; I172-H176 WeakPolarHBondContact O-CA 3.42Å; I172-H176 WeakPolarHBondContact O-CB 3.42Å; I172-H176 PolarHBondContact O-N 3.12Å; I172-C212 VanDerWaalsContact CG2-SG 3.54Å
173Q98.2Very high97.2Very high81 Ų8149.8 Ų49.838%0.37927%0.267SS..Hα-helixtrans-63.5-38.3177.2-69.1-176.3-59.200112.4F169 E170 H176 E209F169-Q173 HydrophobicContact CD1-CG 4.41Å; F169-Q173 VanDerWaalsContact CE1-CD 3.49Å; F169-Q173 HydrophobicContact CE1-CG 4.09Å; F169-Q173 HydrophobicContact CZ-CG 4.29Å; F169-Q173 PolarHBondContact O-N 3.03Å; E170-Q173 WeakPolarHBondContact O-CB 3.23Å; E170-Q173 PolarHBondContact O-N 2.91Å; E170-Q173 VanDerWaalsContact O-N 3.15Å; Q173-H176 PolarHBondContact O-CD2 3.48Å; Q173-H176 PolarHBondContact O-NE2 2.64Å; Q173-E209 PolarHBondContact NE2-O 3.08Å
174E97.9Very high97.1Very high126 Ų12646.6 Ų46.659%0.58925%0.247SC*.Hα-helixtrans-68.3-40.6177.9-176.664.5-167.500111.9Y140 E170 I172Y140-E174 HydrophobicContact CE1-CB 4.2Å; Y140-E174 HydrophobicContact CE1-CG 4.45Å; E170-E174 PolarHBondContact O-N 2.87Å; I172-E174 PolarHBondContact O-N 3.07Å
175Y97.2Very high97Very high58 Ų5850.4 Ų50.423%0.22726%0.264CS..Hα-helixtrans-105.74-169.6-68.3-52.5000115.7Y140 F143 H144 M150 A171 I172 S177 L178Y140-Y175 AromaticContact CD1-CE2 3.84Å; Y140-Y175 HydrophobicContact CD1-CE2 3.84Å; Y140-Y175 HydrophobicContact CG-CE2 4.35Å; Y140-Y175 VanDerWaalsContact O-CE2 3.24Å; Y140-Y175 WeakPolarHBondContact O-CE2 3.48Å; F143-Y175 HydrophobicContact CB-CD2 4.34Å; H144-Y175 HydrophobicContact CB-CE2 4.33Å; H144-Y175 AromaticContact CD2-CE1 3.93Å; M150-Y175 WeakPolarHBondContact CE-O 3.25Å; A171-Y175 PolarHBondContact O-N 3.18Å; A171-Y175 VanDerWaalsContact O-N 3.14Å; I172-Y175 PolarHBondContact O-N 3.08Å; Y175-S177 PolarHBondContact O-N 3.28Å; Y175-L178 HydrophobicContact CD1-CD1 3.75Å; Y175-L178 HydrophobicContact CD1-CG 4.28Å; Y175-L178 HydrophobicContact CG-CD1 4.03Å; Y175-L178 VanDerWaalsContact O-CB 3.28Å; Y175-L178 WeakPolarHBondContact O-CB 3.38Å; Y175-L178 WeakPolarHBondContact O-CG 3.33Å; Y175-L178 PolarHBondContact O-N 2.82Å
176H96.7Very high96.9Very high25 Ų2553.4 Ų53.412%0.11628%0.275CS..G310 helixtrans-51.1-30.9-177.763.967.1000113.3I172 Q173 L178 L179 S210 E211 Y215I172-H176 WeakPolarHBondContact O-CA 3.42Å; I172-H176 WeakPolarHBondContact O-CB 3.42Å; I172-H176 PolarHBondContact O-N 3.12Å; Q173-H176 PolarHBondContact O-CD2 3.48Å; Q173-H176 PolarHBondContact O-NE2 2.64Å; H176-L178 PolarHBondContact O-N 3.11Å; H176-L179 VanDerWaalsContact O-CB 3.31Å; H176-L179 WeakPolarHBondContact O-CB 3.24Å; H176-L179 WeakPolarHBondContact O-CG 3.41Å; H176-L179 PolarHBondContact O-N 3.04Å; H176-L179 VanDerWaalsContact O-N 3.12Å; H176-S210 WeakPolarHBondContact CB-O 3.29Å; H176-S210 PolarHBondContact CD2-O 3.41Å; H176-E211 IonicContact CE1-OE2 3.57Å; H176-E211 IonicContact NE2-OE2 3.82Å; H176-Y215 AromaticContact CE1-CE2 3.38Å; H176-Y215 WeakPolarHBondContact CE1-CE2 3.44Å; H176-Y215 AromaticContact ND1-CD2 3.47Å; H176-Y215 WeakPolarHBondContact ND1-CD2 3.24Å; H176-Y215 AromaticContact ND1-CE2 2.99Å; H176-Y215 WeakPolarHBondContact ND1-CE2 3.31Å; H176-Y215 AromaticContact ND1-CZ 3.85Å
177S96.9Very high96.9Very high48 Ų4849.5 Ų49.534%0.33625%0.249SC..G310 helixtrans-63.9-25.1178.367.80000114.1Y175 L179 A180 Y215Y175-S177 PolarHBondContact O-N 3.28Å; S177-L179 PolarHBondContact O-N 2.99Å; S177-A180 PolarHBondContact O-N 2.95Å; S177-Y215 WeakPolarHBondContact CB-OH 3.33Å
178L96.1Very high96.9Very high23 Ų2346.1 Ų46.112%0.1223%0.231CC..G310 helixtrans-66.5-16.7175.3-61.4-175.2000112.6Y84 A147 M150 Y175 H176 A180 K181Y84-L178 HydrophobicContact CD1-CD1 4.03Å; Y84-L178 HydrophobicContact CD1-CD2 4.39Å; Y84-L178 HydrophobicContact CE1-CD2 4.47Å; Y84-L178 HydrophobicContact CG-CD1 4.45Å; Y84-L178 HydrophobicContact CG-CD2 4.46Å; A147-L178 HydrophobicContact CB-CB 3.61Å; M150-L178 HydrophobicContact CE-CB 4.38Å; Y175-L178 HydrophobicContact CD1-CD1 3.75Å; Y175-L178 HydrophobicContact CD1-CG 4.28Å; Y175-L178 HydrophobicContact CG-CD1 4.03Å; Y175-L178 VanDerWaalsContact O-CB 3.28Å; Y175-L178 WeakPolarHBondContact O-CB 3.38Å; Y175-L178 WeakPolarHBondContact O-CG 3.33Å; Y175-L178 PolarHBondContact O-N 2.82Å; H176-L178 PolarHBondContact O-N 3.11Å; L178-A180 PolarHBondContact O-N 2.79Å; L178-A180 VanDerWaalsContact O-N 3.14Å; L178-K181 VanDerWaalsContact O-CB 3.31Å; L178-K181 WeakPolarHBondContact O-CB 3.43Å; L178-K181 PolarHBondContact O-N 2.85Å
179L95.9Very high96.9Very high0 Ų049.4 Ų49.40%025%0.251CS..G310 helixtrans-58.1-26.7173.3-70179.2000112.6A147 M150 M151 H176 S177 K181 I182 C212A147-L179 WeakPolarHBondContact O-CD2 3.42Å; M150-L179 HydrophobicContact CE-CD2 3.99Å; M150-L179 HydrophobicContact CE-CG 3.93Å; M151-L179 HydrophobicContact CG-CD1 4.11Å; M151-L179 HydrophobicContact CG-CD2 3.75Å; M151-L179 HydrophobicContact SD-CD1 4.04Å; H176-L179 VanDerWaalsContact O-CB 3.31Å; H176-L179 WeakPolarHBondContact O-CB 3.24Å; H176-L179 WeakPolarHBondContact O-CG 3.41Å; H176-L179 PolarHBondContact O-N 3.04Å; H176-L179 VanDerWaalsContact O-N 3.12Å; S177-L179 PolarHBondContact O-N 2.99Å; L179-K181 PolarHBondContact O-N 3.4Å; L179-K181 VanDerWaalsContact O-N 3.11Å; L179-I182 HydrophobicContact CD2-CG1 4.49Å; L179-I182 PolarHBondContact O-N 2.87Å; L179-C212 HydrophobicContact CD1-CB 3.59Å
180A94.9Very high96.9Very high69 Ų6948 Ų4857%0.5725%0.245SC*.G310 helixtrans-63.4-14.317300000114.2S177 L178 Y215S177-A180 PolarHBondContact O-N 2.95Å; L178-A180 PolarHBondContact O-N 2.79Å; L178-A180 VanDerWaalsContact O-N 3.14Å; A180-Y215 HydrophobicContact CB-CD1 4.04Å
181K93.9Very high96.9Very high139 Ų13943.5 Ų43.560%0.60422%0.224SC*.G310 helixtrans-89.1-11.8174.4-56.6-61.2-174.6178.70112.8Y84 L178 L179Y84-K181 HydrophobicContact CD2-CG 4.17Å; L178-K181 VanDerWaalsContact O-CB 3.31Å; L178-K181 WeakPolarHBondContact O-CB 3.43Å; L178-K181 PolarHBondContact O-N 2.85Å; L179-K181 PolarHBondContact O-N 3.4Å; L179-K181 VanDerWaalsContact O-N 3.11Å
182I94.1Very high96.9Very high9 Ų944 Ų445%0.04623%0.227CC..SBendtrans-89.3137.4-177.2-55.8-59.8000110.3R85 A147 L148 L179 V184 R186 I187R85-I182 HydrophobicContact CB-CD1 3.99Å; R85-I182 HydrophobicContact CG-CD1 3.96Å; A147-I182 HydrophobicContact CB-CD1 3.99Å; A147-I182 HydrophobicContact CB-CG1 3.93Å; L148-I182 HydrophobicContact CB-CD1 4.46Å; L148-I182 HydrophobicContact CB-CG2 4.27Å; L148-I182 HydrophobicContact CD1-CG2 3.99Å; L179-I182 HydrophobicContact CD2-CG1 4.49Å; L179-I182 PolarHBondContact O-N 2.87Å; I182-V184 PolarHBondContact O-N 3.48Å; I182-R186 HydrophobicContact CG2-CB 4.17Å; I182-I187 HydrophobicContact CB-CD1 4.11Å; I182-I187 HydrophobicContact CB-CG1 4.07Å; I182-I187 HydrophobicContact CG2-CD1 4.38Å; I182-I187 HydrophobicContact CG2-CG1 3.8Å
183S94.9Very high96.9Very high26 Ų2647.6 Ų47.618%0.18224%0.243CC..  trans-56.5131174.655.10000111.3R85 E185 R186 I187R85-S183 PolarHBondContact NH2-OG 3.33Å; S183-E185 PolarHBondContact O-N 2.93Å; S183-E185 VanDerWaalsContact O-N 3.17Å; S183-R186 PolarHBondContact O-N 3.4Å; S183-R186 WeakPolarHBondContact OG-CD 3.41Å; S183-R186 WeakPolarHBondContact OG-CG 3.49Å; S183-I187 PolarHBondContact O-N 3.07Å
184V97.1Very high96.9Very high37 Ų3743.7 Ų43.722%0.22422%0.224CC..Hα-helixtrans-56.3-35.7-176.7178.30000112.6I182 R186 I187 N188 P217 E264 K266I182-V184 PolarHBondContact O-N 3.48Å; V184-R186 VanDerWaalsContact C-N 3.28Å; V184-R186 PolarHBondContact O-N 3.46Å; V184-I187 PolarHBondContact O-N 2.64Å; V184-I187 VanDerWaalsContact O-N 3.16Å; V184-N188 WeakPolarHBondContact O-CB 3.32Å; V184-N188 PolarHBondContact O-N 2.99Å; V184-P217 HydrophobicContact CB-CG 4.44Å; V184-P217 HydrophobicContact CG1-CG 3.66Å; V184-P217 HydrophobicContact CG2-CG 3.89Å; V184-E264 VanDerWaalsContact CG1-O 3.31Å; V184-E264 WeakPolarHBondContact CG1-O 2.84Å; V184-K266 HydrophobicContact CB-CG 4.2Å; V184-K266 HydrophobicContact CG1-CG 4.16Å
185E97.4Very high96.9Very high98 Ų9837.8 Ų37.846%0.45820%0.197SC..Hα-helixtrans-59.1-39.1177.5-61.682.3175.100111.9S183 V189 K266S183-E185 PolarHBondContact O-N 2.93Å; S183-E185 VanDerWaalsContact O-N 3.17Å; E185-V189 WeakPolarHBondContact O-CG2 3.37Å; E185-V189 PolarHBondContact O-N 3.31Å; E185-V189 VanDerWaalsContact O-N 3.17Å; E185-K266 HydrophobicContact CG-CB 3.87Å; E185-K266 HydrophobicContact CG-CG 4Å; E185-K266 WeakPolarHBondContact OE1-CG 3.29Å
186R95.6Very high96.9Very high77 Ų7737.2 Ų37.229%0.29120%0.197SC..Hα-helixtrans-72.6-39.2177.2-69.8-178.885-159.37.1111.3R85 D146 L148 I182 S183 V184 N188 V189 E190R85-R186 VanDerWaalsContact CG-NH1 3.33Å; D146-R186 IonicContact OD1-NH1 3.64Å; D146-R186 IonicContact OD2-NH2 2.7Å; L148-R186 HydrophobicContact CD1-CB 4.12Å; L148-R186 HydrophobicContact CD2-CB 3.92Å; L148-R186 HydrophobicContact CD2-CG 4.45Å; L148-R186 VanDerWaalsContact CD2-NE 3.32Å; I182-R186 HydrophobicContact CG2-CB 4.17Å; S183-R186 PolarHBondContact O-N 3.4Å; S183-R186 WeakPolarHBondContact OG-CD 3.41Å; S183-R186 WeakPolarHBondContact OG-CG 3.49Å; V184-R186 VanDerWaalsContact C-N 3.28Å; V184-R186 PolarHBondContact O-N 3.46Å; R186-N188 VanDerWaalsContact C-N 3.33Å; R186-V189 PolarHBondContact O-N 2.93Å; R186-E190 PolarHBondContact O-N 2.9Å
187I97.4Very high96.9Very high3 Ų336.1 Ų36.12%0.01519%0.192CC..Hα-helixtrans-62-45.6174.8-58.7178.5000109.5M151 I182 S183 V184 V189 E190 F191 W265M151-I187 HydrophobicContact CE-CG2 4.2Å; I182-I187 HydrophobicContact CB-CD1 4.11Å; I182-I187 HydrophobicContact CB-CG1 4.07Å; I182-I187 HydrophobicContact CG2-CD1 4.38Å; I182-I187 HydrophobicContact CG2-CG1 3.8Å; S183-I187 PolarHBondContact O-N 3.07Å; V184-I187 PolarHBondContact O-N 2.64Å; V184-I187 VanDerWaalsContact O-N 3.16Å; I187-V189 PolarHBondContact O-N 3.41Å; I187-E190 PolarHBondContact O-N 3.45Å; I187-F191 VanDerWaalsContact O-CB 3.24Å; I187-F191 WeakPolarHBondContact O-CB 3.46Å; I187-F191 PolarHBondContact O-N 2.77Å; I187-W265 HydrophobicContact CG2-CH2 4.16Å; I187-W265 HydrophobicContact CG2-CZ3 3.92Å
188N98.4Very high96.8Very high12 Ų1237.9 Ų37.96%0.06421%0.205CC..Hα-helixtrans-54.4-50.6178-176.4-61000111.4V184 R186 E190 F191 V192 W265V184-N188 WeakPolarHBondContact O-CB 3.32Å; V184-N188 PolarHBondContact O-N 2.99Å; R186-N188 VanDerWaalsContact C-N 3.33Å; N188-E190 VanDerWaalsContact C-N 3.3Å; N188-E190 PolarHBondContact O-N 3.18Å; N188-F191 PolarHBondContact O-N 3.25Å; N188-F191 VanDerWaalsContact O-N 3.12Å; N188-V192 WeakPolarHBondContact O-CG2 3.42Å; N188-V192 PolarHBondContact O-N 2.83Å; N188-V192 WeakPolarHBondContact OD1-CG2 3.48Å; N188-W265 HydrophobicContact CB-CE3 3.92Å; N188-W265 HydrophobicContact CB-CZ3 4.42Å; N188-W265 PolarHBondContact ND2-O 3.38Å
189V98Very high96.9Very high70 Ų7041.7 Ų41.742%0.42422%0.22SC..Hα-helixtrans-57.8-42.6-179.9170.50000112.1E185 R186 I187 K193E185-V189 WeakPolarHBondContact O-CG2 3.37Å; E185-V189 PolarHBondContact O-N 3.31Å; E185-V189 VanDerWaalsContact O-N 3.17Å; R186-V189 PolarHBondContact O-N 2.93Å; I187-V189 PolarHBondContact O-N 3.41Å; V189-K193 HydrophobicContact CG1-CD 4.45Å; V189-K193 WeakPolarHBondContact O-CD 3.24Å; V189-K193 VanDerWaalsContact O-CG 3.25Å; V189-K193 WeakPolarHBondContact O-CG 3.37Å; V189-K193 PolarHBondContact O-N 2.65Å
190E98.2Very high96.9Very high12 Ų1242.3 Ų42.36%0.05622%0.223CC..Hα-helixtrans-74.9-34.4178.2-58.3-61.2179.900111.8L148 M151 R152 R155 R186 I187 N188 K193 L194L148-E190 HydrophobicContact CD1-CG 3.89Å; L148-E190 HydrophobicContact CG-CG 4.29Å; M151-E190 HydrophobicContact CB-CB 3.88Å; M151-E190 HydrophobicContact CB-CG 4.32Å; R152-E190 HydrophobicContact CG-CG 4.12Å; R152-E190 WeakPolarHBondContact CG-OE1 3.32Å; R152-E190 IonicContact NH1-OE1 3.24Å; R152-E190 PolarHBondContact NH1-OE1 3.24Å; R155-E190 WeakPolarHBondContact CD-OE2 3.28Å; R155-E190 IonicContact CZ-OE2 2.75Å; R155-E190 IonicContact NE-OE2 2.82Å; R155-E190 IonicContact NH1-OE1 2.8Å; R155-E190 IonicContact NH1-OE2 3.13Å; R155-E190 PolarHBondContact NH1-OE2 2.82Å; R186-E190 PolarHBondContact O-N 2.9Å; I187-E190 PolarHBondContact O-N 3.45Å; N188-E190 VanDerWaalsContact C-N 3.3Å; N188-E190 PolarHBondContact O-N 3.18Å; E190-K193 PolarHBondContact O-N 2.98Å; E190-L194 WeakPolarHBondContact O-CB 3.38Å; E190-L194 PolarHBondContact O-N 2.95Å
191F98.6Very high97Very high0 Ų043.2 Ų43.20%022%0.215CC..Hα-helixtrans-69.1-43.8178.6-176.5-115.9000113M151 I187 N188 K193 L194 M195 L204 F207 L219 L226 W244 L247 W265M151-F191 HydrophobicContact CE-CB 3.97Å; M151-F191 HydrophobicContact CE-CD2 4.31Å; I187-F191 VanDerWaalsContact O-CB 3.24Å; I187-F191 WeakPolarHBondContact O-CB 3.46Å; I187-F191 PolarHBondContact O-N 2.77Å; N188-F191 PolarHBondContact O-N 3.25Å; N188-F191 VanDerWaalsContact O-N 3.12Å; F191-K193 VanDerWaalsContact C-N 3.29Å; F191-K193 PolarHBondContact O-N 2.73Å; F191-L194 HydrophobicContact CD2-CD2 4.07Å; F191-L194 HydrophobicContact CE2-CD2 4.45Å; F191-L194 WeakPolarHBondContact O-CB 3.34Å; F191-L194 PolarHBondContact O-N 3.11Å; F191-M195 HydrophobicContact CD1-CE 3.67Å; F191-M195 HydrophobicContact CD1-SD 4.34Å; F191-M195 HydrophobicContact CE1-CE 3.52Å; F191-M195 HydrophobicContact CE1-CG 4.43Å; F191-M195 HydrophobicContact CE1-SD 3.68Å; F191-M195 HydrophobicContact CE2-CG 4.35Å; F191-M195 HydrophobicContact CG-CE 4.46Å; F191-M195 HydrophobicContact CZ-CE 4.2Å; F191-M195 HydrophobicContact CZ-CG 4.18Å; F191-M195 HydrophobicContact CZ-SD 3.77Å; F191-M195 WeakPolarHBondContact O-CG 3.42Å; F191-M195 PolarHBondContact O-N 3.11Å; F191-L204 HydrophobicContact CE2-CD2 4.47Å; F191-F207 HydrophobicContact CD2-CE1 4.1Å; F191-F207 HydrophobicContact CD2-CZ 4.05Å; F191-F207 HydrophobicContact CE2-CD1 4.36Å; F191-F207 AromaticContact CE2-CE1 3.58Å; F191-F207 HydrophobicContact CE2-CE1 3.58Å; F191-F207 AromaticContact CE2-CZ 3.95Å; F191-F207 HydrophobicContact CE2-CZ 3.95Å; F191-L219 HydrophobicContact CE1-CD1 4.31Å; F191-L219 HydrophobicContact CE2-CD1 4.1Å; F191-L219 HydrophobicContact CZ-CD1 3.77Å; F191-L226 HydrophobicContact CZ-CD2 4.29Å; F191-W244 HydrophobicContact CD1-CH2 4.06Å; F191-W244 HydrophobicContact CD1-CZ2 4.41Å; F191-W244 HydrophobicContact CE1-CH2 4.02Å; F191-W244 HydrophobicContact CE1-CZ3 4.33Å; F191-L247 HydrophobicContact CE1-CD2 3.71Å; F191-L247 HydrophobicContact CZ-CD2 3.92Å; F191-W265 HydrophobicContact CB-CH2 4.06Å; F191-W265 HydrophobicContact CB-CZ3 3.74Å; F191-W265 HydrophobicContact CD1-CE3 4.21Å; F191-W265 AromaticContact CD1-CH2 3.46Å; F191-W265 HydrophobicContact CD1-CH2 3.46Å; F191-W265 VanDerWaalsContact CD1-CH2 3.46Å; F191-W265 HydrophobicContact CD1-CZ2 4.12Å; F191-W265 AromaticContact CD1-CZ3 3.52Å; F191-W265 HydrophobicContact CD1-CZ3 3.52Å; F191-W265 HydrophobicContact CD2-CH2 4.28Å; F191-W265 AromaticContact CE1-CH2 3.93Å; F191-W265 HydrophobicContact CE1-CH2 3.93Å; F191-W265 HydrophobicContact CE1-CZ2 4.17Å; F191-W265 HydrophobicContact CE1-CZ3 4.35Å; F191-W265 AromaticContact CG-CH2 3.67Å; F191-W265 HydrophobicContact CG-CH2 3.67Å; F191-W265 AromaticContact CG-CZ3 3.77Å; F191-W265 HydrophobicContact CG-CZ3 3.77Å
192V98.6Very high97.2Very high10 Ų1038.7 Ų38.76%0.06120%0.203CC..Hα-helixtrans-58.5-46173.8168.50000110.1N188 M195 M196 E240 W244N188-V192 WeakPolarHBondContact O-CG2 3.42Å; N188-V192 PolarHBondContact O-N 2.83Å; N188-V192 WeakPolarHBondContact OD1-CG2 3.48Å; V192-M195 HydrophobicContact CG2-CE 4.33Å; V192-M195 PolarHBondContact O-N 3.46Å; V192-M196 HydrophobicContact CG1-SD 3.62Å; V192-M196 VanDerWaalsContact O-CG 3.26Å; V192-M196 WeakPolarHBondContact O-CG 3.38Å; V192-M196 PolarHBondContact O-N 3.12Å; V192-M196 VanDerWaalsContact O-N 3.15Å; V192-E240 HydrophobicContact CG1-CB 3.86Å; V192-E240 HydrophobicContact CG1-CG 3.71Å; V192-E240 HydrophobicContact CG2-CG 4.11Å; V192-W244 HydrophobicContact CG2-CZ2 4.08Å
193K98.2Very high97.4Very high76 Ų7638.2 Ų38.233%0.3320%0.201SC..Hα-helixtrans-63.8-43.4176.4-69178.5-170.2175.70110.9R155 H159 V189 E190 F191 M195 M196 G197R155-K193 HydrophobicContact CG-CB 3.87Å; H159-K193 PolarHBondContact CE1-O 2.92Å; V189-K193 HydrophobicContact CG1-CD 4.45Å; V189-K193 WeakPolarHBondContact O-CD 3.24Å; V189-K193 VanDerWaalsContact O-CG 3.25Å; V189-K193 WeakPolarHBondContact O-CG 3.37Å; V189-K193 PolarHBondContact O-N 2.65Å; E190-K193 PolarHBondContact O-N 2.98Å; F191-K193 VanDerWaalsContact C-N 3.29Å; F191-K193 PolarHBondContact O-N 2.73Å; K193-M195 VanDerWaalsContact C-N 3.28Å; K193-M195 PolarHBondContact O-N 2.91Å; K193-M196 PolarHBondContact O-N 2.81Å; K193-G197 PolarHBondContact O-N 3.3Å; K193-G197 VanDerWaalsContact O-N 3.17Å
194L98.6Very high97.5Very high0 Ų037 Ų370%019%0.193CC..Hα-helixtrans-52.7-45.4174.8172.867.7000111.8L154 S158 E190 F191 M196 L204 F207L154-L194 HydrophobicContact CB-CD1 4.17Å; L154-L194 VanDerWaalsContact O-CD1 3.27Å; L154-L194 WeakPolarHBondContact O-CD1 3.26Å; S158-L194 WeakPolarHBondContact CB-O 3.4Å; S158-L194 PolarHBondContact OG-O 3.26Å; E190-L194 WeakPolarHBondContact O-CB 3.38Å; E190-L194 PolarHBondContact O-N 2.95Å; F191-L194 HydrophobicContact CD2-CD2 4.07Å; F191-L194 HydrophobicContact CE2-CD2 4.45Å; F191-L194 WeakPolarHBondContact O-CB 3.34Å; F191-L194 PolarHBondContact O-N 3.11Å; L194-M196 VanDerWaalsContact C-N 3.32Å; L194-M196 PolarHBondContact O-N 2.92Å; L194-L204 HydrophobicContact CD2-CD2 3.82Å; L194-L204 HydrophobicContact CG-CD2 3.96Å; L194-L204 HydrophobicContact CG-CG 4.26Å; L194-F207 HydrophobicContact CD2-CB 4.03Å; L194-F207 HydrophobicContact CD2-CD1 4.13Å; L194-F207 HydrophobicContact CD2-CD2 4.27Å; L194-F207 HydrophobicContact CD2-CG 3.91Å
195M98.4Very high97.6Very high1 Ų139.6 Ų39.61%0.00520%0.198CC..Hα-helixtrans-68.1-28.7177.9-68.9-173.4-70.400113.8F191 V192 K193 F229 A243 W244 L247F191-M195 HydrophobicContact CD1-CE 3.67Å; F191-M195 HydrophobicContact CD1-SD 4.34Å; F191-M195 HydrophobicContact CE1-CE 3.52Å; F191-M195 HydrophobicContact CE1-CG 4.43Å; F191-M195 HydrophobicContact CE1-SD 3.68Å; F191-M195 HydrophobicContact CE2-CG 4.35Å; F191-M195 HydrophobicContact CG-CE 4.46Å; F191-M195 HydrophobicContact CZ-CE 4.2Å; F191-M195 HydrophobicContact CZ-CG 4.18Å; F191-M195 HydrophobicContact CZ-SD 3.77Å; F191-M195 WeakPolarHBondContact O-CG 3.42Å; F191-M195 PolarHBondContact O-N 3.11Å; V192-M195 HydrophobicContact CG2-CE 4.33Å; V192-M195 PolarHBondContact O-N 3.46Å; K193-M195 VanDerWaalsContact C-N 3.28Å; K193-M195 PolarHBondContact O-N 2.91Å; M195-F229 HydrophobicContact CB-CE1 4.05Å; M195-F229 HydrophobicContact CB-CZ 3.94Å; M195-F229 HydrophobicContact CG-CE1 4.1Å; M195-F229 HydrophobicContact CG-CZ 4.07Å; M195-F229 HydrophobicContact SD-CE2 4.42Å; M195-F229 HydrophobicContact SD-CZ 4.12Å; M195-A243 HydrophobicContact CB-CB 4.1Å; M195-A243 HydrophobicContact CE-CB 4.22Å; M195-W244 HydrophobicContact CE-CD2 4.49Å; M195-W244 HydrophobicContact CE-CZ2 4.48Å; M195-L247 HydrophobicContact CE-CD2 4.45Å; M195-L247 HydrophobicContact SD-CB 4.13Å; M195-L247 HydrophobicContact SD-CD2 3.81Å; M195-L247 HydrophobicContact SD-CG 4.39Å
196M97.8Very high97.6Very high46 Ų4635.9 Ų35.923%0.22718%0.183CC..Hα-helixtrans-90.5-10.2-174.4-68.5173.764.400114.6V192 K193 L194 V237 P238 A243V192-M196 HydrophobicContact CG1-SD 3.62Å; V192-M196 VanDerWaalsContact O-CG 3.26Å; V192-M196 WeakPolarHBondContact O-CG 3.38Å; V192-M196 PolarHBondContact O-N 3.12Å; V192-M196 VanDerWaalsContact O-N 3.15Å; K193-M196 PolarHBondContact O-N 2.81Å; L194-M196 VanDerWaalsContact C-N 3.32Å; L194-M196 PolarHBondContact O-N 2.92Å; M196-V237 WeakPolarHBondContact CE-O 3.46Å; M196-V237 HydrophobicContact CG-CB 4.25Å; M196-P238 WeakPolarHBondContact CE-O 3.43Å; M196-A243 HydrophobicContact CG-CB 3.94Å
197G96.6Very high97.8Very high2 Ų232.2 Ų32.22%0.02117%0.169CC..SBendtrans-66.8150.6-177.700000113.7S158 K193 F199 R200S158-G197 CarbonylContact O-C 2.91Å; S158-G197 VanDerWaalsContact O-C 3.32Å; S158-G197 WeakPolarHBondContact O-CA 3.29Å; S158-G197 VanDerWaalsContact OG-CA 3.23Å; S158-G197 WeakPolarHBondContact OG-CA 3.37Å; S158-G197 PolarHBondContact OG-N 3.02Å; K193-G197 PolarHBondContact O-N 3.3Å; K193-G197 VanDerWaalsContact O-N 3.17Å; G197-F199 PolarHBondContact O-N 3.34Å; G197-R200 WeakPolarHBondContact O-CB 3.35Å; G197-R200 PolarHBondContact O-N 3.02Å; G197-R200 VanDerWaalsContact O-N 3.11Å
198S95.2Very high97.8Very high86 Ų8633 Ų3360%0.60117%0.174SC*.THydrogen-bonded Turntrans-65.8-22.8-178.6-49.10000113.7S158S158-S198 PolarHBondContact O-N 2.82Å
199F96.8Very high97.8Very high102 Ų10237.3 Ų37.345%0.44719%0.194SC..THydrogen-bonded Turntrans-11034.5174.8-56.3-87.4000110.8S158 G161 G197 E201 A202 G203S158-F199 CarbonylContact O-C 3.55Å; S158-F199 VanDerWaalsContact O-CA 3.31Å; S158-F199 WeakPolarHBondContact O-CA 3.33Å; S158-F199 WeakPolarHBondContact O-CB 3.44Å; S158-F199 PolarHBondContact O-N 3.22Å; G161-F199 VanDerWaalsContact N-CD2 3.26Å; G197-F199 PolarHBondContact O-N 3.34Å; F199-E201 PolarHBondContact O-N 2.88Å; F199-E201 VanDerWaalsContact O-N 3.07Å; F199-A202 PolarHBondContact O-N 3.29Å; F199-A202 VanDerWaalsContact O-N 3.08Å; F199-G203 PolarHBondContact O-N 3.25Å
200R96.4Very high97.8Very high14 Ų1434 Ų345%0.05317%0.174CC..Hα-helixtrans-49.1-35-179.164.9177.5173.7-81.5-1.4113.7S158 G197 A202 G203 L204 L232 G234 P235S158-R200 WeakPolarHBondContact OG-CA 3.33Å; G197-R200 WeakPolarHBondContact O-CB 3.35Å; G197-R200 PolarHBondContact O-N 3.02Å; G197-R200 VanDerWaalsContact O-N 3.11Å; R200-A202 PolarHBondContact O-N 2.77Å; R200-G203 PolarHBondContact O-N 3.31Å; R200-L204 HydrophobicContact CB-CD1 4.41Å; R200-L204 VanDerWaalsContact O-CB 3.29Å; R200-L204 WeakPolarHBondContact O-CB 3.34Å; R200-L204 PolarHBondContact O-N 3.14Å; R200-L232 PolarHBondContact NH2-O 3.28Å; R200-G234 PolarHBondContact NH2-O 3.13Å; R200-G234 VanDerWaalsContact NH2-O 3.08Å; R200-P235 PolarHBondContact NH1-O 2.97Å
201E97.3Very high97.8Very high88 Ų8838 Ų3841%0.41119%0.193SC..Hα-helixtrans-56.4-54179-171.4-168.5152.200110.3F199 G203 R205 S230F199-E201 PolarHBondContact O-N 2.88Å; F199-E201 VanDerWaalsContact O-N 3.07Å; E201-G203 PolarHBondContact O-N 2.97Å; E201-R205 WeakPolarHBondContact O-CB 3.19Å; E201-R205 PolarHBondContact O-N 3.17Å; E201-R205 IonicContact OE1-CZ 3.98Å; E201-R205 IonicContact OE1-NH1 2.93Å; E201-R205 PolarHBondContact OE1-NH1 2.9Å; E201-R205 IonicContact OE1-NH2 3.74Å; E201-R205 PolarHBondContact OE1-NH2 3.31Å; E201-S230 WeakPolarHBondContact CA-O 3.38Å; E201-S230 WeakPolarHBondContact CB-O 2.83Å
202A97.3Very high97.8Very high43 Ų4338 Ų3836%0.35519%0.193SC..Hα-helixtrans-61.6-45179.300000111.8V157 F199 R200 S206V157-A202 HydrophobicContact CG1-CB 3.9Å; F199-A202 PolarHBondContact O-N 3.29Å; F199-A202 VanDerWaalsContact O-N 3.08Å; R200-A202 PolarHBondContact O-N 2.77Å; A202-S206 PolarHBondContact O-N 3.16Å; A202-S206 PolarHBondContact O-OG 3.15Å
203G98Very high97.8Very high0 Ų039 Ų390%020%0.196CC..Hα-helixtrans-67.7-41.9-178.100000113.5F199 R200 E201 F207F199-G203 PolarHBondContact O-N 3.25Å; R200-G203 PolarHBondContact O-N 3.31Å; E201-G203 PolarHBondContact O-N 2.97Å; G203-F207 WeakPolarHBondContact O-CB 3.31Å; G203-F207 PolarHBondContact O-N 3.45Å
204L98.2Very high97.8Very high1 Ų137 Ų371%0.00519%0.188CC..Hα-helixtrans-73.7-34.6177.9-77.1168.3000112.1F191 L194 R200 F207 V208 F229F191-L204 HydrophobicContact CE2-CD2 4.47Å; L194-L204 HydrophobicContact CD2-CD2 3.82Å; L194-L204 HydrophobicContact CG-CD2 3.96Å; L194-L204 HydrophobicContact CG-CG 4.26Å; R200-L204 HydrophobicContact CB-CD1 4.41Å; R200-L204 VanDerWaalsContact O-CB 3.29Å; R200-L204 WeakPolarHBondContact O-CB 3.34Å; R200-L204 PolarHBondContact O-N 3.14Å; L204-F207 HydrophobicContact CD2-CD1 4.05Å; L204-F207 WeakPolarHBondContact O-CB 3.4Å; L204-F207 PolarHBondContact O-N 3.27Å; L204-V208 WeakPolarHBondContact O-CG2 3.28Å; L204-V208 PolarHBondContact O-N 3.09Å; L204-F229 HydrophobicContact CD1-CD1 3.29Å; L204-F229 HydrophobicContact CD1-CE1 3.61Å; L204-F229 HydrophobicContact CD1-CG 4.42Å
205R98.1Very high97.7Very high90 Ų9040.7 Ų40.734%0.3420%0.203SC..Hα-helixtrans-59.1-49.5170.5179.2173-75.5145.54110.2E201 F207 V208 E209E201-R205 WeakPolarHBondContact O-CB 3.19Å; E201-R205 PolarHBondContact O-N 3.17Å; E201-R205 IonicContact OE1-CZ 3.98Å; E201-R205 IonicContact OE1-NH1 2.93Å; E201-R205 PolarHBondContact OE1-NH1 2.9Å; E201-R205 IonicContact OE1-NH2 3.74Å; E201-R205 PolarHBondContact OE1-NH2 3.31Å; R205-F207 VanDerWaalsContact C-N 3.28Å; R205-F207 PolarHBondContact O-N 2.76Å; R205-V208 PolarHBondContact O-N 3.17Å; R205-V208 VanDerWaalsContact O-N 3.15Å; R205-E209 WeakPolarHBondContact CD-OE1 3.26Å; R205-E209 HydrophobicContact CG-CG 4.2Å; R205-E209 VanDerWaalsContact CG-OE1 3.24Å; R205-E209 WeakPolarHBondContact CG-OE1 3.28Å; R205-E209 WeakPolarHBondContact O-CB 3.2Å; R205-E209 WeakPolarHBondContact O-CG 3.34Å; R205-E209 PolarHBondContact O-N 2.93Å
206S98.2Very high97.7Very high20 Ų2040.9 Ų40.914%0.1420%0.204CC..Hα-helixtrans-61.2-34.5174.8-61.80000113.1A202 V208 S210A202-S206 PolarHBondContact O-N 3.16Å; A202-S206 PolarHBondContact O-OG 3.15Å; S206-V208 VanDerWaalsContact C-N 3.34Å; S206-S210 WeakPolarHBondContact O-CB 3.33Å; S206-S210 PolarHBondContact O-N 3.4Å; S206-S210 PolarHBondContact O-OG 3.1Å; S206-S210 VanDerWaalsContact O-OG 3.09Å
207F98.6Very high97.6Very high0 Ų039.8 Ų39.80%020%0.201CC..Hα-helixtrans-65.9-33.7176176-121000113.4M151 L154 F191 L194 G203 L204 R205 C212 C216 L219 L226M151-F207 HydrophobicContact CE-CE2 4.06Å; M151-F207 HydrophobicContact SD-CD2 4.14Å; M151-F207 HydrophobicContact SD-CE2 3.69Å; L154-F207 HydrophobicContact CD1-CB 3.9Å; L154-F207 HydrophobicContact CD1-CD2 3.57Å; L154-F207 HydrophobicContact CD1-CG 4.21Å; F191-F207 HydrophobicContact CD2-CE1 4.1Å; F191-F207 HydrophobicContact CD2-CZ 4.05Å; F191-F207 HydrophobicContact CE2-CD1 4.36Å; F191-F207 AromaticContact CE2-CE1 3.58Å; F191-F207 HydrophobicContact CE2-CE1 3.58Å; F191-F207 AromaticContact CE2-CZ 3.95Å; F191-F207 HydrophobicContact CE2-CZ 3.95Å; L194-F207 HydrophobicContact CD2-CB 4.03Å; L194-F207 HydrophobicContact CD2-CD1 4.13Å; L194-F207 HydrophobicContact CD2-CD2 4.27Å; L194-F207 HydrophobicContact CD2-CG 3.91Å; G203-F207 WeakPolarHBondContact O-CB 3.31Å; G203-F207 PolarHBondContact O-N 3.45Å; L204-F207 HydrophobicContact CD2-CD1 4.05Å; L204-F207 WeakPolarHBondContact O-CB 3.4Å; L204-F207 PolarHBondContact O-N 3.27Å; R205-F207 VanDerWaalsContact C-N 3.28Å; R205-F207 PolarHBondContact O-N 2.76Å; F207-C212 HydrophobicContact CD2-CB 3.52Å; F207-C212 HydrophobicContact CE2-CB 3.67Å; F207-C212 PolarHBondContact O-N 3.17Å; F207-C216 HydrophobicContact CZ-CB 4.41Å; F207-L219 HydrophobicContact CE1-CD1 4.26Å; F207-L219 HydrophobicContact CZ-CD1 4.34Å; F207-L226 HydrophobicContact CD1-CD1 4.3Å; F207-L226 HydrophobicContact CE1-CD1 3.96Å; F207-L226 HydrophobicContact CE1-CD2 4.47Å
208V98.5Very high97.6Very high19 Ų1942.1 Ų42.112%0.11523%0.225CC..Hα-helixtrans-77.6-48.1174178.20000110.7L204 R205 S206 S210 E211 Y213 L226 L227L204-V208 WeakPolarHBondContact O-CG2 3.28Å; L204-V208 PolarHBondContact O-N 3.09Å; R205-V208 PolarHBondContact O-N 3.17Å; R205-V208 VanDerWaalsContact O-N 3.15Å; S206-V208 VanDerWaalsContact C-N 3.34Å; V208-S210 PolarHBondContact O-N 2.99Å; V208-E211 PolarHBondContact O-N 3.2Å; V208-Y213 HydrophobicContact CB-CD1 4.43Å; V208-Y213 HydrophobicContact CB-CE1 4.47Å; V208-Y213 HydrophobicContact CG1-CD1 4.45Å; V208-Y213 HydrophobicContact CG1-CE1 4.01Å; V208-Y213 HydrophobicContact CG2-CD1 4.42Å; V208-L226 HydrophobicContact CG2-CB 3.73Å; V208-L226 HydrophobicContact CG2-CD1 4.24Å; V208-L227 HydrophobicContact CB-CD2 4.01Å; V208-L227 HydrophobicContact CB-CG 4.34Å; V208-L227 HydrophobicContact CG1-CD1 4.22Å; V208-L227 HydrophobicContact CG1-CD2 4.2Å; V208-L227 HydrophobicContact CG1-CG 4.09Å; V208-L227 HydrophobicContact CG2-CD2 4.07Å; V208-L227 HydrophobicContact CG2-CG 4.17Å
209E98.1Very high97.7Very high103 Ų10338 Ų3848%0.48120%0.196SC..Hα-helixtrans-62.3-29.3179.9-71.2172.8172.100113.2F169 Q173 R205 E211F169-E209 HydrophobicContact CZ-CB 3.94Å; Q173-E209 PolarHBondContact NE2-O 3.08Å; R205-E209 WeakPolarHBondContact CD-OE1 3.26Å; R205-E209 HydrophobicContact CG-CG 4.2Å; R205-E209 VanDerWaalsContact CG-OE1 3.24Å; R205-E209 WeakPolarHBondContact CG-OE1 3.28Å; R205-E209 WeakPolarHBondContact O-CB 3.2Å; R205-E209 WeakPolarHBondContact O-CG 3.34Å; R205-E209 PolarHBondContact O-N 2.93Å; E209-E211 VanDerWaalsContact C-N 3.33Å
210S98Very high97.7Very high1 Ų140 Ų401%0.00720%0.2CC..THydrogen-bonded Turntrans-88.61.217682.80000114.2H176 S206 V208 C212H176-S210 WeakPolarHBondContact CB-O 3.29Å; H176-S210 PolarHBondContact CD2-O 3.41Å; S206-S210 WeakPolarHBondContact O-CB 3.33Å; S206-S210 PolarHBondContact O-N 3.4Å; S206-S210 PolarHBondContact O-OG 3.1Å; S206-S210 VanDerWaalsContact O-OG 3.09Å; V208-S210 PolarHBondContact O-N 2.99Å; S210-C212 PolarHBondContact O-N 3.4Å; S210-C212 PolarHBondContact OG-SG 2.99Å
211E98.3Very high97.7Very high96 Ų9646.1 Ų46.145%0.44923%0.234SC..THydrogen-bonded Turntrans5811.2-178.6-62.4-168.1174.300115.6H176 V208 E209 Y213 I214H176-E211 IonicContact CE1-OE2 3.57Å; H176-E211 IonicContact NE2-OE2 3.82Å; V208-E211 PolarHBondContact O-N 3.2Å; E209-E211 VanDerWaalsContact C-N 3.33Å; E211-Y213 PolarHBondContact O-N 2.67Å; E211-Y213 VanDerWaalsContact O-N 3.12Å; E211-I214 HydrophobicContact CB-CD1 3.78Å; E211-I214 HydrophobicContact CB-CG1 4.25Å; E211-I214 HydrophobicContact CG-CD1 3.99Å; E211-I214 VanDerWaalsContact O-CB 3.28Å; E211-I214 WeakPolarHBondContact O-CB 3.29Å; E211-I214 WeakPolarHBondContact O-CG1 3.35Å; E211-I214 PolarHBondContact O-N 2.9Å
212C98.4Very high97.7Very high0 Ų045.4 Ų45.40%023%0.228CC..G310 helixtrans-57.6-32.2178.5-77.70000112.5L154 I172 L179 F207 S210 I214 Y215 C216L154-C212 HydrophobicContact CD1-CB 4.05Å; I172-C212 VanDerWaalsContact CG2-SG 3.54Å; L179-C212 HydrophobicContact CD1-CB 3.59Å; F207-C212 HydrophobicContact CD2-CB 3.52Å; F207-C212 HydrophobicContact CE2-CB 3.67Å; F207-C212 PolarHBondContact O-N 3.17Å; S210-C212 PolarHBondContact O-N 3.4Å; S210-C212 PolarHBondContact OG-SG 2.99Å; C212-I214 PolarHBondContact O-N 3.33Å; C212-Y215 PolarHBondContact O-N 2.85Å; C212-C216 PolarHBondContact O-SG 3.15Å
213Y98.2Very high97.7Very high32 Ų3243.7 Ų43.713%0.12521%0.214CC..G310 helixtrans-62.2-25.117882.4-83.2000113.8V208 E211 Y215 C216 L219 R220 L226V208-Y213 HydrophobicContact CB-CD1 4.43Å; V208-Y213 HydrophobicContact CB-CE1 4.47Å; V208-Y213 HydrophobicContact CG1-CD1 4.45Å; V208-Y213 HydrophobicContact CG1-CE1 4.01Å; V208-Y213 HydrophobicContact CG2-CD1 4.42Å; E211-Y213 PolarHBondContact O-N 2.67Å; E211-Y213 VanDerWaalsContact O-N 3.12Å; Y213-Y215 PolarHBondContact O-N 3.43Å; Y213-C216 PolarHBondContact O-N 3.21Å; Y213-C216 VanDerWaalsContact O-N 3.14Å; Y213-L219 HydrophobicContact CD2-CB 4.34Å; Y213-L219 WeakPolarHBondContact CD2-O 3.38Å; Y213-L219 WeakPolarHBondContact CE2-O 3.26Å; Y213-L219 WeakPolarHBondContact O-CB 3.37Å; Y213-R220 VanDerWaalsContact CE2-O 3.25Å; Y213-R220 WeakPolarHBondContact CE2-O 3.41Å; Y213-L226 HydrophobicContact CD2-CD1 3.62Å; Y213-L226 HydrophobicContact CE2-CD1 4.49Å; Y213-L226 HydrophobicContact CG-CD1 3.71Å
214I98.1Very high97.7Very high33 Ų3348.6 Ų48.617%0.16925%0.245CC..G310 helixtrans-62.4-26.9179.3-63.9-175.7000112.5E211 C212 R220E211-I214 HydrophobicContact CB-CD1 3.78Å; E211-I214 HydrophobicContact CB-CG1 4.25Å; E211-I214 HydrophobicContact CG-CD1 3.99Å; E211-I214 VanDerWaalsContact O-CB 3.28Å; E211-I214 WeakPolarHBondContact O-CB 3.29Å; E211-I214 WeakPolarHBondContact O-CG1 3.35Å; E211-I214 PolarHBondContact O-N 2.9Å; C212-I214 PolarHBondContact O-N 3.33Å; I214-R220 HydrophobicContact CG2-CG 4.14Å
215Y97.3Very high97.7Very high77 Ų7749.2 Ų49.230%0.30225%0.25SC..G310 helixtrans-104.86.3-177.1-61.8-90.7000112.6H176 S177 A180 C212 Y213H176-Y215 AromaticContact CE1-CE2 3.38Å; H176-Y215 WeakPolarHBondContact CE1-CE2 3.44Å; H176-Y215 AromaticContact ND1-CD2 3.47Å; H176-Y215 WeakPolarHBondContact ND1-CD2 3.24Å; H176-Y215 AromaticContact ND1-CE2 2.99Å; H176-Y215 WeakPolarHBondContact ND1-CE2 3.31Å; H176-Y215 AromaticContact ND1-CZ 3.85Å; S177-Y215 WeakPolarHBondContact CB-OH 3.33Å; A180-Y215 HydrophobicContact CB-CD1 4.04Å; C212-Y215 PolarHBondContact O-N 2.85Å; Y213-Y215 PolarHBondContact O-N 3.43Å
216C97.5Very high97.7Very high5 Ų545 Ų453%0.03423%0.234CC..SBendtrans-92.4145.9171.6-66.40000110.6F207 C212 Y213 G218 L219 W265F207-C216 HydrophobicContact CZ-CB 4.41Å; C212-C216 PolarHBondContact O-SG 3.15Å; Y213-C216 PolarHBondContact O-N 3.21Å; Y213-C216 VanDerWaalsContact O-N 3.14Å; C216-G218 PolarHBondContact O-N 3.08Å; C216-L219 HydrophobicContact CB-CB 4.35Å; C216-L219 HydrophobicContact CB-CD1 3.97Å; C216-L219 PolarHBondContact O-N 3.07Å; C216-W265 HydrophobicContact CB-CH2 3.7Å; C216-W265 HydrophobicContact CB-CZ2 3.74Å
217P96.5Very high97.6Very high24 Ų2446.4 Ų46.416%0.15624%0.24CC..THydrogen-bonded Turntrans-54.6122.7-173.4-23.329.8000113.3V184 L219 E264 W265V184-P217 HydrophobicContact CB-CG 4.44Å; V184-P217 HydrophobicContact CG1-CG 3.66Å; V184-P217 HydrophobicContact CG2-CG 3.89Å; P217-L219 PolarHBondContact O-N 3.29Å; P217-L219 VanDerWaalsContact O-N 3.09Å; P217-E264 HydrophobicContact CB-CB 4.09Å; P217-W265 HydrophobicContact CB-CD2 4.44Å; P217-W265 HydrophobicContact CB-CG 4.43Å; P217-W265 HydrophobicContact CG-CD2 4.27Å; P217-W265 HydrophobicContact CG-CZ2 4.48Å; P217-W265 PolarHBondContact O-NE1 3.33Å
218G95.9Very high97.5Very high51 Ų5150.3 Ų50.353%0.52626%0.26SS..THydrogen-bonded Turntrans67.14174.800000116.6C216 Y222C216-G218 PolarHBondContact O-N 3.08Å; G218-Y222 WeakPolarHBondContact O-CD2 3.25Å; G218-Y222 WeakPolarHBondContact O-CE2 3.49Å
219L97.7Very high97.5Very high0 Ų049.4 Ų49.40%026%0.255CS..  trans-94.3-10.7-174.2-75.6-176.5000115.2F191 F207 Y213 C216 P217 D221 Y222 L226 L251 F261 W265F191-L219 HydrophobicContact CE1-CD1 4.31Å; F191-L219 HydrophobicContact CE2-CD1 4.1Å; F191-L219 HydrophobicContact CZ-CD1 3.77Å; F207-L219 HydrophobicContact CE1-CD1 4.26Å; F207-L219 HydrophobicContact CZ-CD1 4.34Å; Y213-L219 HydrophobicContact CD2-CB 4.34Å; Y213-L219 WeakPolarHBondContact CD2-O 3.38Å; Y213-L219 WeakPolarHBondContact CE2-O 3.26Å; Y213-L219 WeakPolarHBondContact O-CB 3.37Å; C216-L219 HydrophobicContact CB-CB 4.35Å; C216-L219 HydrophobicContact CB-CD1 3.97Å; C216-L219 PolarHBondContact O-N 3.07Å; P217-L219 PolarHBondContact O-N 3.29Å; P217-L219 VanDerWaalsContact O-N 3.09Å; L219-D221 PolarHBondContact O-N 2.98Å; L219-Y222 WeakPolarHBondContact O-CB 3.49Å; L219-Y222 PolarHBondContact O-N 3.41Å; L219-L226 HydrophobicContact CD1-CD1 4.37Å; L219-L226 HydrophobicContact CD1-CD2 4.4Å; L219-L226 HydrophobicContact CD2-CD2 4.34Å; L219-L251 HydrophobicContact CD2-CD1 4.06Å; L219-L251 HydrophobicContact CD2-CD2 4.47Å; L219-F261 HydrophobicContact CD2-CE2 4.31Å; L219-F261 HydrophobicContact CD2-CZ 3.73Å; L219-F261 HydrophobicContact CG-CZ 4.05Å; L219-W265 HydrophobicContact CD1-CH2 4.16Å; L219-W265 HydrophobicContact CD1-CZ2 3.59Å; L219-W265 HydrophobicContact CG-CZ2 4.01Å
220R97.4Very high97.3Very high143 Ų14344.6 Ų44.654%0.5423%0.233SC..THydrogen-bonded Turntrans-45.6-42.4-173175.1175-65.8-164.4-2.1115.1Y213 I214Y213-R220 VanDerWaalsContact CE2-O 3.25Å; Y213-R220 WeakPolarHBondContact CE2-O 3.41Å; I214-R220 HydrophobicContact CG2-CG 4.14Å
221D96.5Very high97.2Very high143 Ų14349.2 Ų49.277%0.76525%0.254SS*.THydrogen-bonded Turntrans-95.96.6-174.6-54.2-52.8000113L219L219-D221 PolarHBondContact O-N 2.98Å
222Y97.3Very high97Very high73 Ų7345.6 Ų45.629%0.28624%0.238SC..  trans-110.221.5-171-69.4-77.1000114.6G218 L219 T224 A225 L226 L251 M253G218-Y222 WeakPolarHBondContact O-CD2 3.25Å; G218-Y222 WeakPolarHBondContact O-CE2 3.49Å; L219-Y222 WeakPolarHBondContact O-CB 3.49Å; L219-Y222 PolarHBondContact O-N 3.41Å; Y222-T224 VanDerWaalsContact C-N 3.32Å; Y222-T224 PolarHBondContact O-N 2.83Å; Y222-A225 HydrophobicContact CD1-CB 4.11Å; Y222-A225 PolarHBondContact O-N 3.28Å; Y222-A225 VanDerWaalsContact O-N 3.11Å; Y222-L226 WeakPolarHBondContact O-CG 3.49Å; Y222-L226 PolarHBondContact O-N 3Å; Y222-L251 HydrophobicContact CD1-CB 4.15Å; Y222-L251 HydrophobicContact CD1-CD2 3.61Å; Y222-L251 HydrophobicContact CD1-CG 4.31Å; Y222-L251 HydrophobicContact CE1-CB 4Å; Y222-L251 HydrophobicContact CE1-CD2 4.33Å; Y222-L251 WeakPolarHBondContact CE1-O 3.21Å; Y222-L251 HydrophobicContact CG-CD2 3.76Å; Y222-M253 HydrophobicContact CE1-CE 4.32Å; Y222-M253 HydrophobicContact CE2-CE 3.69Å; Y222-M253 WeakPolarHBondContact OH-CE 3.26Å
223G97.3Very high96.7Very high6 Ų651.8 Ų51.86%0.06227%0.267CS..Hα-helixtrans-53.7-45.9178.500000113A225 L226 L227G223-A225 PolarHBondContact O-N 3.43Å; G223-L226 PolarHBondContact O-N 3.47Å; G223-L227 WeakPolarHBondContact O-CG 3.4Å; G223-L227 PolarHBondContact O-N 2.99Å
224T97.5Very high96.4Very high104 Ų10452.2 Ų52.264%0.63828%0.281SS*.Hα-helixtrans-64.3-41.5176.9-53.90000112.3Y222 L226 L227 N228Y222-T224 VanDerWaalsContact C-N 3.32Å; Y222-T224 PolarHBondContact O-N 2.83Å; T224-L226 VanDerWaalsContact C-N 3.32Å; T224-L226 PolarHBondContact O-N 3.06Å; T224-L227 PolarHBondContact O-N 2.98Å; T224-N228 VanDerWaalsContact O-CG 3.29Å; T224-N228 PolarHBondContact O-N 3.17Å; T224-N228 PolarHBondContact O-OD1 2.74Å
225A97.7Very high96.1Very high13 Ų1353.1 Ų53.111%0.10729%0.289CS..Hα-helixtrans-67-34.5178.400000112.2Y222 G223 N228 F229 M250 L251Y222-A225 HydrophobicContact CD1-CB 4.11Å; Y222-A225 PolarHBondContact O-N 3.28Å; Y222-A225 VanDerWaalsContact O-N 3.11Å; G223-A225 PolarHBondContact O-N 3.43Å; A225-N228 PolarHBondContact O-N 3.42Å; A225-F229 PolarHBondContact O-N 2.72Å; A225-M250 WeakPolarHBondContact CB-O 3.31Å; A225-L251 HydrophobicContact CB-CD2 3.67Å
226L98.1Very high96Very high1 Ų151.2 Ų51.21%0.00529%0.289CS..Hα-helixtrans-66.1-38.9172.6-70.4167000111.9F191 F207 V208 Y213 L219 Y222 G223 T224 F229 S230 L247F191-L226 HydrophobicContact CZ-CD2 4.29Å; F207-L226 HydrophobicContact CD1-CD1 4.3Å; F207-L226 HydrophobicContact CE1-CD1 3.96Å; F207-L226 HydrophobicContact CE1-CD2 4.47Å; V208-L226 HydrophobicContact CG2-CB 3.73Å; V208-L226 HydrophobicContact CG2-CD1 4.24Å; Y213-L226 HydrophobicContact CD2-CD1 3.62Å; Y213-L226 HydrophobicContact CE2-CD1 4.49Å; Y213-L226 HydrophobicContact CG-CD1 3.71Å; L219-L226 HydrophobicContact CD1-CD1 4.37Å; L219-L226 HydrophobicContact CD1-CD2 4.4Å; L219-L226 HydrophobicContact CD2-CD2 4.34Å; Y222-L226 WeakPolarHBondContact O-CG 3.49Å; Y222-L226 PolarHBondContact O-N 3Å; G223-L226 PolarHBondContact O-N 3.47Å; T224-L226 VanDerWaalsContact C-N 3.32Å; T224-L226 PolarHBondContact O-N 3.06Å; L226-F229 PolarHBondContact O-N 3.49Å; L226-S230 WeakPolarHBondContact O-CB 3.4Å; L226-S230 PolarHBondContact O-N 3.23Å; L226-L247 HydrophobicContact CD2-CD1 3.97Å
227L97.5Very high96Very high51 Ų5151.1 Ų51.127%0.26729%0.288SS..Hα-helixtrans-64.5-44.9172.5-68.1175000111.2V208 G223 T224 F229 S230 E231V208-L227 HydrophobicContact CB-CD2 4.01Å; V208-L227 HydrophobicContact CB-CG 4.34Å; V208-L227 HydrophobicContact CG1-CD1 4.22Å; V208-L227 HydrophobicContact CG1-CD2 4.2Å; V208-L227 HydrophobicContact CG1-CG 4.09Å; V208-L227 HydrophobicContact CG2-CD2 4.07Å; V208-L227 HydrophobicContact CG2-CG 4.17Å; G223-L227 WeakPolarHBondContact O-CG 3.4Å; G223-L227 PolarHBondContact O-N 2.99Å; T224-L227 PolarHBondContact O-N 2.98Å; L227-F229 VanDerWaalsContact C-N 3.32Å; L227-F229 PolarHBondContact O-N 3.48Å; L227-S230 WeakPolarHBondContact O-CA 3.45Å; L227-S230 VanDerWaalsContact O-CB 3.31Å; L227-S230 WeakPolarHBondContact O-CB 3.49Å; L227-S230 PolarHBondContact O-N 3.23Å; L227-S230 PolarHBondContact O-OG 2.96Å; L227-E231 WeakPolarHBondContact O-CG 3.47Å; L227-E231 PolarHBondContact O-N 2.81Å
228N96.3Very high96Very high81 Ų8153 Ų5343%0.43330%0.3SS..Hα-helixtrans-59.7-41.3174.9-66.1-14.9000112T224 A225 S230 E231 L232 M250T224-N228 VanDerWaalsContact O-CG 3.29Å; T224-N228 PolarHBondContact O-N 3.17Å; T224-N228 PolarHBondContact O-OD1 2.74Å; A225-N228 PolarHBondContact O-N 3.42Å; N228-S230 VanDerWaalsContact C-N 3.3Å; N228-S230 PolarHBondContact O-N 3.47Å; N228-E231 PolarHBondContact O-N 3.29Å; N228-L232 PolarHBondContact O-N 3.22Å; N228-M250 HydrophobicContact CB-SD 4.29Å
229F97Very high96.1Very high1 Ų152.6 Ų52.60%0.00429%0.288CS..Hα-helixtrans-59.9-42.8172.3-178.6-75.6000111.2M195 L204 A225 L226 L227 E231 L232 L246 L247 M250M195-F229 HydrophobicContact CB-CE1 4.05Å; M195-F229 HydrophobicContact CB-CZ 3.94Å; M195-F229 HydrophobicContact CG-CE1 4.1Å; M195-F229 HydrophobicContact CG-CZ 4.07Å; M195-F229 HydrophobicContact SD-CE2 4.42Å; M195-F229 HydrophobicContact SD-CZ 4.12Å; L204-F229 HydrophobicContact CD1-CD1 3.29Å; L204-F229 HydrophobicContact CD1-CE1 3.61Å; L204-F229 HydrophobicContact CD1-CG 4.42Å; A225-F229 PolarHBondContact O-N 2.72Å; L226-F229 PolarHBondContact O-N 3.49Å; L227-F229 VanDerWaalsContact C-N 3.32Å; L227-F229 PolarHBondContact O-N 3.48Å; F229-E231 PolarHBondContact O-N 3.29Å; F229-L232 HydrophobicContact CD2-CD1 4.1Å; F229-L232 HydrophobicContact CE2-CD1 4.49Å; F229-L232 HydrophobicContact CG-CD1 4.28Å; F229-L232 WeakPolarHBondContact O-CB 3.29Å; F229-L232 WeakPolarHBondContact O-CG 3.4Å; F229-L232 PolarHBondContact O-N 2.8Å; F229-L246 HydrophobicContact CD2-CB 4.17Å; F229-L246 HydrophobicContact CE2-CB 3.53Å; F229-L246 HydrophobicContact CZ-CB 4.37Å; F229-L247 HydrophobicContact CD2-CB 4.17Å; F229-L247 HydrophobicContact CD2-CD1 4.23Å; F229-L247 HydrophobicContact CE2-CB 4.01Å; F229-M250 HydrophobicContact CB-CB 4.28Å; F229-M250 HydrophobicContact CB-CG 3.89Å; F229-M250 HydrophobicContact CD2-CG 4Å; F229-M250 HydrophobicContact CG-CG 4.41Å
230S95.8Very high96.1Very high2 Ų256.2 Ų56.21%0.01430%0.304CS..Hα-helixtrans-61.9-32.1-178.286.40000112.3E201 L226 L227 N228E201-S230 WeakPolarHBondContact CA-O 3.38Å; E201-S230 WeakPolarHBondContact CB-O 2.83Å; L226-S230 WeakPolarHBondContact O-CB 3.4Å; L226-S230 PolarHBondContact O-N 3.23Å; L227-S230 WeakPolarHBondContact O-CA 3.45Å; L227-S230 VanDerWaalsContact O-CB 3.31Å; L227-S230 WeakPolarHBondContact O-CB 3.49Å; L227-S230 PolarHBondContact O-N 3.23Å; L227-S230 PolarHBondContact O-OG 2.96Å; N228-S230 VanDerWaalsContact C-N 3.3Å; N228-S230 PolarHBondContact O-N 3.47Å
231E94.6Very high96.1Very high97 Ų9751.4 Ų51.445%0.45329%0.287SS..THydrogen-bonded Turntrans-86-3.1-179.3-67.8177.3-179.500113.8L227 N228 F229 H233L227-E231 WeakPolarHBondContact O-CG 3.47Å; L227-E231 PolarHBondContact O-N 2.81Å; N228-E231 PolarHBondContact O-N 3.29Å; F229-E231 PolarHBondContact O-N 3.29Å; E231-H233 PolarHBondContact O-CD2 2.84Å; E231-H233 PolarHBondContact O-N 3.28Å; E231-H233 VanDerWaalsContact O-N 3.12Å
232L95.1Very high96.2Very high20 Ų2045.1 Ų45.111%0.10525%0.252CS..  trans-56.5122.1174.6-69.5174.3000109.7R200 N228 F229 L246 M250 Y312R200-L232 PolarHBondContact NH2-O 3.28Å; N228-L232 PolarHBondContact O-N 3.22Å; F229-L232 HydrophobicContact CD2-CD1 4.1Å; F229-L232 HydrophobicContact CE2-CD1 4.49Å; F229-L232 HydrophobicContact CG-CD1 4.28Å; F229-L232 WeakPolarHBondContact O-CB 3.29Å; F229-L232 WeakPolarHBondContact O-CG 3.4Å; F229-L232 PolarHBondContact O-N 2.8Å; L232-L246 HydrophobicContact CD1-CB 4.34Å; L232-L246 HydrophobicContact CD1-CD1 4.34Å; L232-L246 HydrophobicContact CD1-CD2 4.25Å; L232-M250 HydrophobicContact CD1-CG 4.3Å; L232-M250 HydrophobicContact CD1-SD 4.37Å; L232-M250 HydrophobicContact CD2-CE 4.25Å; L232-M250 HydrophobicContact CD2-SD 4.01Å; L232-M250 HydrophobicContact CG-SD 4.36Å; L232-Y312 HydrophobicContact CB-CD1 4.13Å
233H91.4Very high96.3Very high131 Ų13141.6 Ų41.661%0.60624%0.239SC*.  trans-79.9138.6177.1-64.6170.5000110.7E231 Y311 Y312E231-H233 PolarHBondContact O-CD2 2.84Å; E231-H233 PolarHBondContact O-N 3.28Å; E231-H233 VanDerWaalsContact O-N 3.12Å; H233-Y311 VanDerWaalsContact O-O 3.07Å; H233-Y312 VanDerWaalsContact O-CA 3.29Å; H233-Y312 WeakPolarHBondContact O-CA 3.26Å
234G90.9Very high96.3Very high41 Ų4141.3 Ų41.342%0.42324%0.236SC..SBendtrans146.8176.6178.200000113.3R200R200-G234 PolarHBondContact NH2-O 3.13Å; R200-G234 VanDerWaalsContact NH2-O 3.08Å
235P93Very high96.4Very high52 Ų5236.4 Ų36.434%0.33821%0.205SC..SBendtrans-59.6173.7178.726.9-34.2000112.3R200 Y308 Y311 Y312R200-P235 PolarHBondContact NH1-O 2.97Å; P235-Y308 HydrophobicContact CG-CE1 4.18Å; P235-Y308 WeakPolarHBondContact CG-OH 3.21Å; P235-Y311 HydrophobicContact CG-CD2 4.18Å; P235-Y311 HydrophobicContact CG-CG 4.41Å; P235-Y312 WeakPolarHBondContact O-CE1 3.21Å; P235-Y312 PolarHBondContact O-OH 3Å; P235-Y312 VanDerWaalsContact O-OH 3.07Å
236A95Very high96.4Very high37 Ų3735.8 Ų35.831%0.30620%0.2SC..PPolyproline II helixtrans-60.7138.616900000109.9P238A236-P238 WeakPolarHBondContact O-CD 3.13Å
237V97.6Very high96.4Very high3 Ų335.7 Ų35.72%0.01820%0.2CC..PPolyproline II helixtrans-66.6116.4-177.3-173.70000109.5M196 T239 Q242 A243 L246 Y312M196-V237 WeakPolarHBondContact CE-O 3.46Å; M196-V237 HydrophobicContact CG-CB 4.25Å; V237-T239 PolarHBondContact O-N 3.16Å; V237-Q242 HydrophobicContact CG1-CB 3.68Å; V237-A243 HydrophobicContact CG1-CB 3.92Å; V237-L246 HydrophobicContact CG1-CD1 4.39Å; V237-L246 HydrophobicContact CG2-CD1 3.97Å; V237-Y312 WeakPolarHBondContact CA-OH 3.3Å; V237-Y312 HydrophobicContact CG2-CE1 4.16Å
238P95.7Very high96.4Very high63 Ų6333.3 Ų33.341%0.40919%0.188SC..  trans-73.5-29.3-166.7-20.931.3000115.2M196 A236 Q242 Y308M196-P238 WeakPolarHBondContact CE-O 3.43Å; A236-P238 WeakPolarHBondContact O-CD 3.13Å; P238-Q242 VanDerWaalsContact CD-OE1 3.3Å; P238-Y308 VanDerWaalsContact CD-CE1 3.49Å; P238-Y308 HydrophobicContact CG-CD1 4.17Å; P238-Y308 HydrophobicContact CG-CE1 3.4Å; P238-Y308 VanDerWaalsContact CG-CE1 3.4Å; P238-Y308 HydrophobicContact CG-CE2 4.2Å; P238-Y308 VanDerWaalsContact CG-CZ 3.42Å; P238-Y308 WeakPolarHBondContact CG-OH 3.47Å
239T97.9Very high96.4Very high43 Ų4330.7 Ų30.726%0.26417%0.173SC..SBendtrans-135.5153-172.664.80000112.2V237 R241 Q242 A243V237-T239 PolarHBondContact O-N 3.16Å; T239-R241 VanDerWaalsContact C-N 3.34Å; T239-R241 PolarHBondContact O-N 3.41Å; T239-R241 WeakPolarHBondContact OG1-CG 3.48Å; T239-Q242 WeakPolarHBondContact O-CB 3.08Å; T239-Q242 PolarHBondContact O-N 3.4Å; T239-Q242 VanDerWaalsContact O-N 3.15Å; T239-Q242 WeakPolarHBondContact OG1-CB 3.37Å; T239-Q242 VanDerWaalsContact OG1-CD 3.23Å; T239-Q242 WeakPolarHBondContact OG1-CG 3.33Å; T239-Q242 PolarHBondContact OG1-N 3.22Å; T239-Q242 PolarHBondContact OG1-OE1 3.23Å; T239-A243 PolarHBondContact O-N 3.49Å
240E98.3Very high96.4Very high75 Ų7532.6 Ų32.635%0.3518%0.183SC..Hα-helixtrans-57.6-44.2176.3173.6172.5-170.400112.1V192 Q242 A243 W244 L271V192-E240 HydrophobicContact CG1-CB 3.86Å; V192-E240 HydrophobicContact CG1-CG 3.71Å; V192-E240 HydrophobicContact CG2-CG 4.11Å; E240-Q242 VanDerWaalsContact C-N 3.27Å; E240-Q242 PolarHBondContact O-N 3.28Å; E240-A243 PolarHBondContact O-N 2.71Å; E240-A243 VanDerWaalsContact O-N 3.17Å; E240-W244 VanDerWaalsContact CG-CD1 3.5Å; E240-W244 VanDerWaalsContact O-CD1 3.27Å; E240-W244 PolarHBondContact O-N 3.07Å; E240-W244 PolarHBondContact OE1-NE1 2.99Å; E240-L271 HydrophobicContact CG-CD1 4.32Å; E240-L271 HydrophobicContact CG-CD2 3.81Å; E240-L271 WeakPolarHBondContact OE1-CD2 3.29Å
241R98.3Very high96.4Very high43 Ų4332.9 Ų32.916%0.16218%0.184CC..Hα-helixtrans-60.2-35.8176.866.7-179.6172.4-139.9-1.2113.2T239 T245 L271 E274 M278 E301 S305T239-R241 VanDerWaalsContact C-N 3.34Å; T239-R241 PolarHBondContact O-N 3.41Å; T239-R241 WeakPolarHBondContact OG1-CG 3.48Å; R241-T245 VanDerWaalsContact O-CB 3.3Å; R241-T245 WeakPolarHBondContact O-CB 3.41Å; R241-T245 PolarHBondContact O-N 2.66Å; R241-T245 PolarHBondContact O-OG1 3.03Å; R241-L271 HydrophobicContact CB-CD1 3.65Å; R241-E274 VanDerWaalsContact CD-OE2 3.28Å; R241-E274 WeakPolarHBondContact CD-OE2 3.39Å; R241-E274 IonicContact NH1-OE2 3.88Å; R241-M278 HydrophobicContact CB-SD 4.34Å; R241-M278 HydrophobicContact CG-SD 4.16Å; R241-E301 IonicContact CZ-OE1 3.38Å; R241-E301 VanDerWaalsContact NH1-CD 3.26Å; R241-E301 IonicContact NH1-OE1 2.94Å; R241-E301 PolarHBondContact NH1-OE1 3.38Å; R241-E301 IonicContact NH1-OE2 3.96Å; R241-E301 IonicContact NH2-OE1 2.77Å; R241-E301 PolarHBondContact NH2-OE1 2.81Å; R241-S305 PolarHBondContact NE-OG 3.13Å
242Q98.5Very high96.5Very high10 Ų1034.9 Ų34.95%0.04720%0.198CC..Hα-helixtrans-70.9-41176.8-78.1170.5-38.600110.9V237 P238 T239 E240 T245 L246 M278 S305 L309V237-Q242 HydrophobicContact CG1-CB 3.68Å; P238-Q242 VanDerWaalsContact CD-OE1 3.3Å; T239-Q242 WeakPolarHBondContact O-CB 3.08Å; T239-Q242 PolarHBondContact O-N 3.4Å; T239-Q242 VanDerWaalsContact O-N 3.15Å; T239-Q242 WeakPolarHBondContact OG1-CB 3.37Å; T239-Q242 VanDerWaalsContact OG1-CD 3.23Å; T239-Q242 WeakPolarHBondContact OG1-CG 3.33Å; T239-Q242 PolarHBondContact OG1-N 3.22Å; T239-Q242 PolarHBondContact OG1-OE1 3.23Å; E240-Q242 VanDerWaalsContact C-N 3.27Å; E240-Q242 PolarHBondContact O-N 3.28Å; Q242-T245 PolarHBondContact O-N 3.15Å; Q242-L246 WeakPolarHBondContact O-CB 3.47Å; Q242-L246 WeakPolarHBondContact O-CG 3.44Å; Q242-L246 PolarHBondContact O-N 3.07Å; Q242-M278 HydrophobicContact CG-CE 4.23Å; Q242-S305 VanDerWaalsContact CG-OG 3.28Å; Q242-S305 WeakPolarHBondContact CG-OG 3.16Å; Q242-S305 PolarHBondContact NE2-O 2.9Å; Q242-S305 VanDerWaalsContact NE2-O 3.11Å; Q242-L309 HydrophobicContact CB-CD2 3.72Å; Q242-L309 HydrophobicContact CG-CD2 3.76Å; Q242-L309 HydrophobicContact CG-CG 4.27Å
243A98.5Very high96.4Very high0 Ų034.8 Ų34.80%020%0.197CC..Hα-helixtrans-61-48.5176.100000111.2M195 M196 V237 T239 E240 L246 L247M195-A243 HydrophobicContact CB-CB 4.1Å; M195-A243 HydrophobicContact CE-CB 4.22Å; M196-A243 HydrophobicContact CG-CB 3.94Å; V237-A243 HydrophobicContact CG1-CB 3.92Å; T239-A243 PolarHBondContact O-N 3.49Å; E240-A243 PolarHBondContact O-N 2.71Å; E240-A243 VanDerWaalsContact O-N 3.17Å; A243-L246 PolarHBondContact O-N 3.45Å; A243-L247 WeakPolarHBondContact O-CB 3.33Å; A243-L247 PolarHBondContact O-N 2.93Å
244W98.6Very high96.5Very high0 Ų032.6 Ų32.60%019%0.19CC..Hα-helixtrans-62.5-43.1175.1-78.2112.6000112.6F191 V192 M195 E240 L246 L247 M248 F261 M262 W265 V275F191-W244 HydrophobicContact CD1-CH2 4.06Å; F191-W244 HydrophobicContact CD1-CZ2 4.41Å; F191-W244 HydrophobicContact CE1-CH2 4.02Å; F191-W244 HydrophobicContact CE1-CZ3 4.33Å; V192-W244 HydrophobicContact CG2-CZ2 4.08Å; M195-W244 HydrophobicContact CE-CD2 4.49Å; M195-W244 HydrophobicContact CE-CZ2 4.48Å; E240-W244 VanDerWaalsContact CG-CD1 3.5Å; E240-W244 VanDerWaalsContact O-CD1 3.27Å; E240-W244 PolarHBondContact O-N 3.07Å; E240-W244 PolarHBondContact OE1-NE1 2.99Å; W244-L246 PolarHBondContact O-N 2.81Å; W244-L247 HydrophobicContact CE3-CD2 3.93Å; W244-L247 HydrophobicContact CZ3-CD2 3.63Å; W244-L247 PolarHBondContact O-N 3.25Å; W244-M248 HydrophobicContact CE3-CE 4.03Å; W244-M248 HydrophobicContact CZ3-CE 4.19Å; W244-M248 VanDerWaalsContact O-CG 3.26Å; W244-M248 WeakPolarHBondContact O-CG 3.42Å; W244-M248 PolarHBondContact O-N 3.09Å; W244-F261 HydrophobicContact CH2-CE1 4.48Å; W244-F261 HydrophobicContact CZ3-CD1 4.37Å; W244-F261 AromaticContact CZ3-CE1 3.85Å; W244-F261 HydrophobicContact CZ3-CE1 3.85Å; W244-M262 HydrophobicContact CB-CE 4.08Å; W244-M262 HydrophobicContact CD2-CE 4.17Å; W244-M262 HydrophobicContact CE3-CG 4.49Å; W244-M262 HydrophobicContact CG-CE 3.91Å; W244-W265 HydrophobicContact CH2-CB 4.03Å; W244-W265 AromaticContact CH2-CD2 3.66Å; W244-W265 HydrophobicContact CH2-CD2 3.66Å; W244-W265 AromaticContact CH2-CE3 3.98Å; W244-W265 HydrophobicContact CH2-CE3 3.98Å; W244-W265 AromaticContact CH2-CG 3.67Å; W244-W265 HydrophobicContact CH2-CG 3.67Å; W244-W265 HydrophobicContact CZ2-CB 4.34Å; W244-W265 HydrophobicContact CZ2-CD2 4.38Å; W244-W265 HydrophobicContact CZ2-CE3 4.35Å; W244-W265 HydrophobicContact CZ2-CG 4.39Å; W244-W265 HydrophobicContact CZ3-CG 4.46Å; W244-V275 HydrophobicContact CB-CG1 4.41Å; W244-V275 HydrophobicContact CB-CG2 3.69Å
245T98.5Very high96.6Very high0 Ų034 Ų340%019%0.187CC..Hα-helixtrans-60-47.4178.1-59.30000111.4R241 Q242 L247 M248 I249 M278 V279 L282 L309R241-T245 VanDerWaalsContact O-CB 3.3Å; R241-T245 WeakPolarHBondContact O-CB 3.41Å; R241-T245 PolarHBondContact O-N 2.66Å; R241-T245 PolarHBondContact O-OG1 3.03Å; Q242-T245 PolarHBondContact O-N 3.15Å; T245-L247 VanDerWaalsContact C-N 3.34Å; T245-L247 PolarHBondContact O-N 3.17Å; T245-M248 PolarHBondContact O-N 3.06Å; T245-I249 VanDerWaalsContact O-CG1 3.23Å; T245-I249 WeakPolarHBondContact O-CG1 3.38Å; T245-I249 PolarHBondContact O-N 3.13Å; T245-I249 VanDerWaalsContact O-N 3.12Å; T245-M278 HydrophobicContact CG2-CB 3.86Å; T245-M278 HydrophobicContact CG2-CE 4.19Å; T245-M278 WeakPolarHBondContact OG1-CE 3.36Å; T245-V279 HydrophobicContact CG2-CG2 3.98Å; T245-L282 HydrophobicContact CG2-CD2 4.31Å; T245-L309 HydrophobicContact CG2-CD1 3.57Å
246L98Very high96.7Very high0 Ų036.5 Ų36.50%020%0.201CC..Hα-helixtrans-61-43.5176.1-72.9173.5000111.4F229 L232 V237 Q242 A243 W244 I249 M250 L309 Y312 F313F229-L246 HydrophobicContact CD2-CB 4.17Å; F229-L246 HydrophobicContact CE2-CB 3.53Å; F229-L246 HydrophobicContact CZ-CB 4.37Å; L232-L246 HydrophobicContact CD1-CB 4.34Å; L232-L246 HydrophobicContact CD1-CD1 4.34Å; L232-L246 HydrophobicContact CD1-CD2 4.25Å; V237-L246 HydrophobicContact CG1-CD1 4.39Å; V237-L246 HydrophobicContact CG2-CD1 3.97Å; Q242-L246 WeakPolarHBondContact O-CB 3.47Å; Q242-L246 WeakPolarHBondContact O-CG 3.44Å; Q242-L246 PolarHBondContact O-N 3.07Å; A243-L246 PolarHBondContact O-N 3.45Å; W244-L246 PolarHBondContact O-N 2.81Å; L246-I249 PolarHBondContact O-N 2.98Å; L246-M250 VanDerWaalsContact O-CG 3.31Å; L246-M250 WeakPolarHBondContact O-CG 3.48Å; L246-M250 PolarHBondContact O-N 3.15Å; L246-L309 HydrophobicContact CD1-CD2 3.88Å; L246-L309 HydrophobicContact CD2-CB 4.38Å; L246-L309 HydrophobicContact CD2-CD1 4.37Å; L246-L309 HydrophobicContact CD2-CD2 3.98Å; L246-L309 HydrophobicContact CD2-CG 4.47Å; L246-L309 HydrophobicContact CG-CD1 4.4Å; L246-L309 HydrophobicContact CG-CD2 3.73Å; L246-Y312 HydrophobicContact CD1-CD1 4.28Å; L246-Y312 HydrophobicContact CD1-CD2 3.64Å; L246-Y312 HydrophobicContact CD1-CE1 4.37Å; L246-Y312 HydrophobicContact CD1-CE2 3.78Å; L246-Y312 HydrophobicContact CD1-CG 3.91Å; L246-Y312 HydrophobicContact CD2-CD2 3.98Å; L246-Y312 HydrophobicContact CD2-CG 4.17Å; L246-Y312 HydrophobicContact CG-CD2 4.38Å; L246-F313 HydrophobicContact CD2-CE2 3.72Å; L246-F313 HydrophobicContact CD2-CZ 4.05Å
247L98.3Very high96.8Very high0 Ų038.5 Ų38.50%021%0.207CC..Hα-helixtrans-61.1-50.3178.5-17864.8000110.7F191 M195 L226 F229 A243 W244 T245 I249 M250 L251F191-L247 HydrophobicContact CE1-CD2 3.71Å; F191-L247 HydrophobicContact CZ-CD2 3.92Å; M195-L247 HydrophobicContact CE-CD2 4.45Å; M195-L247 HydrophobicContact SD-CB 4.13Å; M195-L247 HydrophobicContact SD-CD2 3.81Å; M195-L247 HydrophobicContact SD-CG 4.39Å; L226-L247 HydrophobicContact CD2-CD1 3.97Å; F229-L247 HydrophobicContact CD2-CB 4.17Å; F229-L247 HydrophobicContact CD2-CD1 4.23Å; F229-L247 HydrophobicContact CE2-CB 4.01Å; A243-L247 WeakPolarHBondContact O-CB 3.33Å; A243-L247 PolarHBondContact O-N 2.93Å; W244-L247 HydrophobicContact CE3-CD2 3.93Å; W244-L247 HydrophobicContact CZ3-CD2 3.63Å; W244-L247 PolarHBondContact O-N 3.25Å; T245-L247 VanDerWaalsContact C-N 3.34Å; T245-L247 PolarHBondContact O-N 3.17Å; L247-I249 PolarHBondContact O-N 3.04Å; L247-M250 CarbonylContact O-C 3.36Å; L247-M250 WeakPolarHBondContact O-CA 3.5Å; L247-M250 PolarHBondContact O-N 2.86Å; L247-L251 HydrophobicContact CD1-CD1 4.32Å; L247-L251 HydrophobicContact CD1-CD2 3.91Å; L247-L251 HydrophobicContact CD1-CG 4Å; L247-L251 HydrophobicContact CG-CD1 4.08Å; L247-L251 HydrophobicContact CG-CG 4.06Å; L247-L251 VanDerWaalsContact O-CG 3.29Å; L247-L251 WeakPolarHBondContact O-CG 3.23Å; L247-L251 PolarHBondContact O-N 2.86Å
248M98.2Very high96.8Very high1 Ų138.3 Ų38.31%0.00521%0.206CC..Hα-helixtrans-59.7-33-179.8-64.6-55.688.400112.8W244 T245 L251 D252 M253 I258 F261 M262 V275 V279W244-M248 HydrophobicContact CE3-CE 4.03Å; W244-M248 HydrophobicContact CZ3-CE 4.19Å; W244-M248 VanDerWaalsContact O-CG 3.26Å; W244-M248 WeakPolarHBondContact O-CG 3.42Å; W244-M248 PolarHBondContact O-N 3.09Å; T245-M248 PolarHBondContact O-N 3.06Å; M248-L251 HydrophobicContact CE-CD1 3.74Å; M248-L251 HydrophobicContact CE-CG 4.42Å; M248-D252 PolarHBondContact O-N 3.3Å; M248-M253 PolarHBondContact O-N 3.41Å; M248-M253 HydrophobicContact SD-SD 4.09Å; M248-I258 HydrophobicContact CB-CD1 3.99Å; M248-I258 HydrophobicContact CB-CG1 4Å; M248-I258 HydrophobicContact CG-CD1 4.31Å; M248-I258 HydrophobicContact CG-CG1 3.92Å; M248-I258 HydrophobicContact CG-CG2 3.93Å; M248-I258 HydrophobicContact SD-CB 4.26Å; M248-I258 HydrophobicContact SD-CG1 3.85Å; M248-I258 HydrophobicContact SD-CG2 4.01Å; M248-F261 HydrophobicContact CE-CD1 3.74Å; M248-F261 HydrophobicContact CE-CE1 3.75Å; M248-F261 HydrophobicContact SD-CD1 4.1Å; M248-M262 HydrophobicContact SD-CG 4.39Å; M248-V275 HydrophobicContact CG-CG1 3.85Å; M248-V279 HydrophobicContact CB-CG2 3.77Å
249I96.3Very high96.9Very high25 Ų2540.3 Ų40.313%0.12821%0.205CC..Hα-helixtrans-68-43.7172.8-66-82.3000111T245 L246 L247 L251 D252 V279 L282 Q283 F313T245-I249 VanDerWaalsContact O-CG1 3.23Å; T245-I249 WeakPolarHBondContact O-CG1 3.38Å; T245-I249 PolarHBondContact O-N 3.13Å; T245-I249 VanDerWaalsContact O-N 3.12Å; L246-I249 PolarHBondContact O-N 2.98Å; L247-I249 PolarHBondContact O-N 3.04Å; I249-L251 VanDerWaalsContact C-N 3.34Å; I249-D252 PolarHBondContact O-N 3.47Å; I249-V279 HydrophobicContact CD1-CB 4.48Å; I249-V279 HydrophobicContact CD1-CG1 3.8Å; I249-V279 HydrophobicContact CG1-CG1 4.38Å; I249-V279 HydrophobicContact CG1-CG2 4.44Å; I249-L282 HydrophobicContact CD1-CD2 4.35Å; I249-L282 HydrophobicContact CG1-CD2 4.06Å; I249-Q283 HydrophobicContact CD1-CG 3.6Å; I249-F313 HydrophobicContact CG2-CE1 4.3Å; I249-F313 HydrophobicContact CG2-CZ 4Å
250M95.9Very high96.9Very high42 Ų4245.3 Ų45.321%0.20722%0.22CC..Hα-helixtrans-68.3-31.7177.9-65-65.499.200112.9A225 N228 F229 L232 L246 L247 D252 F313A225-M250 WeakPolarHBondContact CB-O 3.31Å; N228-M250 HydrophobicContact CB-SD 4.29Å; F229-M250 HydrophobicContact CB-CB 4.28Å; F229-M250 HydrophobicContact CB-CG 3.89Å; F229-M250 HydrophobicContact CD2-CG 4Å; F229-M250 HydrophobicContact CG-CG 4.41Å; L232-M250 HydrophobicContact CD1-CG 4.3Å; L232-M250 HydrophobicContact CD1-SD 4.37Å; L232-M250 HydrophobicContact CD2-CE 4.25Å; L232-M250 HydrophobicContact CD2-SD 4.01Å; L232-M250 HydrophobicContact CG-SD 4.36Å; L246-M250 VanDerWaalsContact O-CG 3.31Å; L246-M250 WeakPolarHBondContact O-CG 3.48Å; L246-M250 PolarHBondContact O-N 3.15Å; L247-M250 CarbonylContact O-C 3.36Å; L247-M250 WeakPolarHBondContact O-CA 3.5Å; L247-M250 PolarHBondContact O-N 2.86Å; M250-D252 VanDerWaalsContact C-N 3.25Å; M250-D252 PolarHBondContact O-N 3.44Å; M250-F313 HydrophobicContact CE-CE1 3.98Å; M250-F313 HydrophobicContact CE-CZ 4.26Å
251L96.7Very high96.9Very high8 Ų842.2 Ų42.24%0.04221%0.206CC..THydrogen-bonded Turntrans-78.6-6.4175.2-56.8-167.2000113.2L219 Y222 A225 L247 M248 I249 M253 F261L219-L251 HydrophobicContact CD2-CD1 4.06Å; L219-L251 HydrophobicContact CD2-CD2 4.47Å; Y222-L251 HydrophobicContact CD1-CB 4.15Å; Y222-L251 HydrophobicContact CD1-CD2 3.61Å; Y222-L251 HydrophobicContact CD1-CG 4.31Å; Y222-L251 HydrophobicContact CE1-CB 4Å; Y222-L251 HydrophobicContact CE1-CD2 4.33Å; Y222-L251 WeakPolarHBondContact CE1-O 3.21Å; Y222-L251 HydrophobicContact CG-CD2 3.76Å; A225-L251 HydrophobicContact CB-CD2 3.67Å; L247-L251 HydrophobicContact CD1-CD1 4.32Å; L247-L251 HydrophobicContact CD1-CD2 3.91Å; L247-L251 HydrophobicContact CD1-CG 4Å; L247-L251 HydrophobicContact CG-CD1 4.08Å; L247-L251 HydrophobicContact CG-CG 4.06Å; L247-L251 VanDerWaalsContact O-CG 3.29Å; L247-L251 WeakPolarHBondContact O-CG 3.23Å; L247-L251 PolarHBondContact O-N 2.86Å; M248-L251 HydrophobicContact CE-CD1 3.74Å; M248-L251 HydrophobicContact CE-CG 4.42Å; I249-L251 VanDerWaalsContact C-N 3.34Å; L251-M253 VanDerWaalsContact C-N 3.28Å; L251-M253 HydrophobicContact CB-CE 4.06Å; L251-M253 HydrophobicContact CB-CG 3.94Å; L251-M253 HydrophobicContact CB-SD 4.22Å; L251-M253 HydrophobicContact CD1-CE 3.63Å; L251-M253 HydrophobicContact CD1-SD 4.07Å; L251-M253 HydrophobicContact CG-CE 4.48Å; L251-M253 PolarHBondContact O-N 3.33Å; L251-F261 HydrophobicContact CD1-CE1 4.38Å; L251-F261 HydrophobicContact CD1-CE2 4.16Å; L251-F261 HydrophobicContact CD1-CZ 3.93Å
252D95.5Very high96.9Very high138 Ų13840.2 Ų40.274%0.73820%0.198SC*.THydrogen-bonded Turntrans51.641.4-178-163.133000113.9M248 I249 M250M248-D252 PolarHBondContact O-N 3.3Å; I249-D252 PolarHBondContact O-N 3.47Å; M250-D252 VanDerWaalsContact C-N 3.25Å; M250-D252 PolarHBondContact O-N 3.44Å
253M92.5Very high96.9Very high18 Ų1845.4 Ų45.49%0.08922%0.22CC..  trans-87.1140.3-178.5-69.9-177.7174.700112.2Y222 M248 L251 D257 I258 F261Y222-M253 HydrophobicContact CE1-CE 4.32Å; Y222-M253 HydrophobicContact CE2-CE 3.69Å; Y222-M253 WeakPolarHBondContact OH-CE 3.26Å; M248-M253 PolarHBondContact O-N 3.41Å; M248-M253 HydrophobicContact SD-SD 4.09Å; L251-M253 VanDerWaalsContact C-N 3.28Å; L251-M253 HydrophobicContact CB-CE 4.06Å; L251-M253 HydrophobicContact CB-CG 3.94Å; L251-M253 HydrophobicContact CB-SD 4.22Å; L251-M253 HydrophobicContact CD1-CE 3.63Å; L251-M253 HydrophobicContact CD1-SD 4.07Å; L251-M253 HydrophobicContact CG-CE 4.48Å; L251-M253 PolarHBondContact O-N 3.33Å; M253-D257 HydrophobicContact CB-CB 4.31Å; M253-I258 HydrophobicContact CB-CD1 4.45Å; M253-I258 HydrophobicContact CB-CG1 3.72Å; M253-I258 WeakPolarHBondContact O-CD1 3.26Å; M253-F261 HydrophobicContact CE-CD2 3.49Å; M253-F261 VanDerWaalsContact CE-CD2 3.49Å; M253-F261 HydrophobicContact CE-CE2 3.77Å; M253-F261 HydrophobicContact CE-CG 4.14Å; M253-F261 HydrophobicContact SD-CB 4.03Å; M253-F261 HydrophobicContact SD-CD2 3.92Å; M253-F261 HydrophobicContact SD-CG 3.93Å
254N93.9Very high96.8Very high85 Ų8549.3 Ų49.346%0.45524%0.239SC..  trans-75.2166.9168.469.860.5000111.4T256 D257 I258N254-T256 VanDerWaalsContact C-N 3.28Å; N254-T256 PolarHBondContact O-N 2.94Å; N254-T256 WeakPolarHBondContact OD1-CB 3.19Å; N254-T256 PolarHBondContact OD1-N 3.42Å; N254-D257 PolarHBondContact ND2-OD2 3.31Å; N254-D257 PolarHBondContact O-N 3.12Å; N254-D257 VanDerWaalsContact O-N 3.16Å; N254-D257 PolarHBondContact OD1-N 3.33Å; N254-D257 PolarHBondContact OD1-OD2 3.37Å; N254-I258 VanDerWaalsContact O-CG1 3.27Å; N254-I258 WeakPolarHBondContact O-CG1 3.33Å; N254-I258 PolarHBondContact O-N 2.92Å
255I93.8Very high96.8Very high71 Ų7149.3 Ų49.336%0.36424%0.239SC..Hα-helixtrans-57.9-37.5-175-63.2173.2000113R259 T276 P280I255-R259 PolarHBondContact O-N 3.37Å; I255-T276 HydrophobicContact CG2-CG2 4.21Å; I255-P280 HydrophobicContact CD1-CG 4.25Å
256T94.5Very high96.8Very high104 Ų10455 Ų5564%0.63826%0.263SS*.Hα-helixtrans-67.6-44.9-179.7-56.60000110.4N254 R259 Y260N254-T256 VanDerWaalsContact C-N 3.28Å; N254-T256 PolarHBondContact O-N 2.94Å; N254-T256 WeakPolarHBondContact OD1-CB 3.19Å; N254-T256 PolarHBondContact OD1-N 3.42Å; T256-R259 PolarHBondContact O-N 3.22Å; T256-Y260 PolarHBondContact O-N 2.91Å
257D96.7Very high96.8Very high79 Ų7955.7 Ų55.742%0.42227%0.268SS..Hα-helixtrans-67.7-38.4179-64.8-24.6000111.4M253 N254 R259 Y260 F261M253-D257 HydrophobicContact CB-CB 4.31Å; N254-D257 PolarHBondContact ND2-OD2 3.31Å; N254-D257 PolarHBondContact O-N 3.12Å; N254-D257 VanDerWaalsContact O-N 3.16Å; N254-D257 PolarHBondContact OD1-N 3.33Å; N254-D257 PolarHBondContact OD1-OD2 3.37Å; D257-R259 VanDerWaalsContact C-N 3.32Å; D257-R259 PolarHBondContact O-N 2.88Å; D257-Y260 PolarHBondContact O-N 2.93Å; D257-F261 WeakPolarHBondContact O-CB 3.42Å; D257-F261 PolarHBondContact O-N 3.39Å
258I98Very high96.8Very high0 Ų059 Ų590%029%0.291CS..Hα-helixtrans-55.7-46.9173.1-69165.9000110.9M248 M253 N254 Y260 F261 M262 V275 T276 V279M248-I258 HydrophobicContact CB-CD1 3.99Å; M248-I258 HydrophobicContact CB-CG1 4Å; M248-I258 HydrophobicContact CG-CD1 4.31Å; M248-I258 HydrophobicContact CG-CG1 3.92Å; M248-I258 HydrophobicContact CG-CG2 3.93Å; M248-I258 HydrophobicContact SD-CB 4.26Å; M248-I258 HydrophobicContact SD-CG1 3.85Å; M248-I258 HydrophobicContact SD-CG2 4.01Å; M253-I258 HydrophobicContact CB-CD1 4.45Å; M253-I258 HydrophobicContact CB-CG1 3.72Å; M253-I258 WeakPolarHBondContact O-CD1 3.26Å; N254-I258 VanDerWaalsContact O-CG1 3.27Å; N254-I258 WeakPolarHBondContact O-CG1 3.33Å; N254-I258 PolarHBondContact O-N 2.92Å; I258-Y260 VanDerWaalsContact C-N 3.34Å; I258-Y260 PolarHBondContact O-N 3.17Å; I258-F261 PolarHBondContact O-N 2.79Å; I258-M262 HydrophobicContact CG2-CG 4.33Å; I258-M262 HydrophobicContact CG2-SD 3.8Å; I258-M262 WeakPolarHBondContact O-CB 3.22Å; I258-M262 WeakPolarHBondContact O-CG 3.46Å; I258-M262 PolarHBondContact O-N 3.29Å; I258-V275 HydrophobicContact CG2-CG1 4.12Å; I258-T276 HydrophobicContact CB-CG2 4.34Å; I258-T276 HydrophobicContact CG2-CG2 3.73Å; I258-V279 HydrophobicContact CD1-CB 4.13Å; I258-V279 HydrophobicContact CD1-CG1 3.85Å; I258-V279 HydrophobicContact CD1-CG2 4Å
259R98.1Very high96.8Very high104 Ų10465.1 Ų65.139%0.39232%0.324SS..Hα-helixtrans-62.6-41.5179.2-71.5-175.6-152.2-69.7-5.4111.9I255 T256 D257 K263 I272 T276I255-R259 PolarHBondContact O-N 3.37Å; T256-R259 PolarHBondContact O-N 3.22Å; D257-R259 VanDerWaalsContact C-N 3.32Å; D257-R259 PolarHBondContact O-N 2.88Å; R259-K263 WeakPolarHBondContact O-CB 3.48Å; R259-K263 VanDerWaalsContact O-CG 3.22Å; R259-K263 WeakPolarHBondContact O-CG 3.27Å; R259-K263 PolarHBondContact O-N 3.28Å; R259-I272 HydrophobicContact CB-CG2 4.34Å; R259-I272 HydrophobicContact CG-CG2 3.97Å; R259-T276 HydrophobicContact CG-CG2 3.68Å; R259-T276 PolarHBondContact NH1-OG1 2.67Å; R259-T276 PolarHBondContact NH2-OG1 3.36Å
260Y97.4Very high96.9Very high148 Ų14868 Ų6858%0.5834%0.337SS*.Hα-helixtrans-67.5-49.9178.6178.6-105.7000110.8T256 D257 I258 M262 K263 E264T256-Y260 PolarHBondContact O-N 2.91Å; D257-Y260 PolarHBondContact O-N 2.93Å; I258-Y260 VanDerWaalsContact C-N 3.34Å; I258-Y260 PolarHBondContact O-N 3.17Å; Y260-M262 PolarHBondContact O-N 3.44Å; Y260-K263 WeakPolarHBondContact O-CB 3.35Å; Y260-K263 PolarHBondContact O-N 3.14Å; Y260-K263 VanDerWaalsContact O-N 3.14Å; Y260-E264 HydrophobicContact CE1-CG 3.99Å; Y260-E264 HydrophobicContact CE2-CG 4.28Å; Y260-E264 PolarHBondContact O-N 3.16Å; Y260-E264 PolarHBondContact OH-OE1 3Å; Y260-E264 VanDerWaalsContact OH-OE1 3.09Å
261F98.1Very high97Very high11 Ų1166.6 Ų66.65%0.04833%0.33CS..Hα-helixtrans-54.7-53.3179.2-171.8-85.9000111.8L219 W244 M248 L251 M253 D257 I258 K263 E264 W265L219-F261 HydrophobicContact CD2-CE2 4.31Å; L219-F261 HydrophobicContact CD2-CZ 3.73Å; L219-F261 HydrophobicContact CG-CZ 4.05Å; W244-F261 HydrophobicContact CH2-CE1 4.48Å; W244-F261 HydrophobicContact CZ3-CD1 4.37Å; W244-F261 AromaticContact CZ3-CE1 3.85Å; W244-F261 HydrophobicContact CZ3-CE1 3.85Å; M248-F261 HydrophobicContact CE-CD1 3.74Å; M248-F261 HydrophobicContact CE-CE1 3.75Å; M248-F261 HydrophobicContact SD-CD1 4.1Å; L251-F261 HydrophobicContact CD1-CE1 4.38Å; L251-F261 HydrophobicContact CD1-CE2 4.16Å; L251-F261 HydrophobicContact CD1-CZ 3.93Å; M253-F261 HydrophobicContact CE-CD2 3.49Å; M253-F261 VanDerWaalsContact CE-CD2 3.49Å; M253-F261 HydrophobicContact CE-CE2 3.77Å; M253-F261 HydrophobicContact CE-CG 4.14Å; M253-F261 HydrophobicContact SD-CB 4.03Å; M253-F261 HydrophobicContact SD-CD2 3.92Å; M253-F261 HydrophobicContact SD-CG 3.93Å; D257-F261 WeakPolarHBondContact O-CB 3.42Å; D257-F261 PolarHBondContact O-N 3.39Å; I258-F261 PolarHBondContact O-N 2.79Å; F261-K263 VanDerWaalsContact C-N 3.27Å; F261-K263 PolarHBondContact O-N 2.94Å; F261-E264 WeakPolarHBondContact O-CB 3.4Å; F261-E264 PolarHBondContact O-N 3.42Å; F261-E264 VanDerWaalsContact O-N 3.13Å; F261-W265 AromaticContact CD1-CD1 3.65Å; F261-W265 AromaticContact CD1-NE1 3.96Å; F261-W265 AromaticContact CE1-CD1 3.29Å; F261-W265 HydrophobicContact CE1-CG 4.34Å; F261-W265 AromaticContact CE1-NE1 3.16Å; F261-W265 AromaticContact CZ-CD1 3.81Å; F261-W265 AromaticContact CZ-NE1 3.23Å; F261-W265 VanDerWaalsContact O-CD1 3.3Å; F261-W265 PolarHBondContact O-N 3.21Å; F261-W265 VanDerWaalsContact O-N 3.16Å
262M98.5Very high97.1Very high0 Ų066.5 Ų66.50%033%0.33CS..Hα-helixtrans-67.7-25.4-178.4-66.9-17774.800113.4W244 M248 I258 Y260 W265 K266 C267 L271 I272 V275W244-M262 HydrophobicContact CB-CE 4.08Å; W244-M262 HydrophobicContact CD2-CE 4.17Å; W244-M262 HydrophobicContact CE3-CG 4.49Å; W244-M262 HydrophobicContact CG-CE 3.91Å; M248-M262 HydrophobicContact SD-CG 4.39Å; I258-M262 HydrophobicContact CG2-CG 4.33Å; I258-M262 HydrophobicContact CG2-SD 3.8Å; I258-M262 WeakPolarHBondContact O-CB 3.22Å; I258-M262 WeakPolarHBondContact O-CG 3.46Å; I258-M262 PolarHBondContact O-N 3.29Å; Y260-M262 PolarHBondContact O-N 3.44Å; M262-W265 CarbonylContact O-C 3.6Å; M262-W265 PolarHBondContact O-N 3Å; M262-K266 PolarHBondContact O-N 2.95Å; M262-C267 HydrophobicContact CB-CB 4.13Å; M262-C267 HydrophobicContact CE-CB 4.06Å; M262-C267 WeakPolarHBondContact O-CB 3.49Å; M262-C267 PolarHBondContact O-N 3.46Å; M262-L271 HydrophobicContact CE-CD2 4.26Å; M262-L271 HydrophobicContact CE-CG 3.85Å; M262-I272 HydrophobicContact CB-CD1 4.29Å; M262-I272 HydrophobicContact CB-CG1 3.71Å; M262-I272 HydrophobicContact CE-CG1 4.26Å; M262-I272 HydrophobicContact SD-CG1 4.39Å; M262-V275 HydrophobicContact CE-CB 3.99Å; M262-V275 HydrophobicContact CE-CG1 4.35Å; M262-V275 HydrophobicContact CE-CG2 3.75Å; M262-V275 HydrophobicContact SD-CB 3.75Å; M262-V275 HydrophobicContact SD-CG1 3.69Å; M262-V275 HydrophobicContact SD-CG2 4.18Å
263K98Very high97.2Very high119 Ų11965.1 Ų65.152%0.51731%0.314SS..Hα-helixtrans-69.6-39.4171.4-79.8177.6-179.7-178.80112.2R259 Y260 F261 W265 K266 I272R259-K263 WeakPolarHBondContact O-CB 3.48Å; R259-K263 VanDerWaalsContact O-CG 3.22Å; R259-K263 WeakPolarHBondContact O-CG 3.27Å; R259-K263 PolarHBondContact O-N 3.28Å; Y260-K263 WeakPolarHBondContact O-CB 3.35Å; Y260-K263 PolarHBondContact O-N 3.14Å; Y260-K263 VanDerWaalsContact O-N 3.14Å; F261-K263 VanDerWaalsContact C-N 3.27Å; F261-K263 PolarHBondContact O-N 2.94Å; K263-W265 PolarHBondContact O-N 3.19Å; K263-K266 PolarHBondContact O-N 3.11Å; K263-I272 HydrophobicContact CG-CD1 3.76Å
264E97.7Very high97.5Very high83 Ų8365.5 Ų65.539%0.38832%0.316SS..Hα-helixtrans-59.4-39.4172.8-69-62.6136.500110.3V184 P217 Y260 F261 K266V184-E264 VanDerWaalsContact CG1-O 3.31Å; V184-E264 WeakPolarHBondContact CG1-O 2.84Å; P217-E264 HydrophobicContact CB-CB 4.09Å; Y260-E264 HydrophobicContact CE1-CG 3.99Å; Y260-E264 HydrophobicContact CE2-CG 4.28Å; Y260-E264 PolarHBondContact O-N 3.16Å; Y260-E264 PolarHBondContact OH-OE1 3Å; Y260-E264 VanDerWaalsContact OH-OE1 3.09Å; F261-E264 WeakPolarHBondContact O-CB 3.4Å; F261-E264 PolarHBondContact O-N 3.42Å; F261-E264 VanDerWaalsContact O-N 3.13Å; E264-K266 PolarHBondContact O-N 3.04Å
265W98.4Very high97.7Very high0 Ų061.4 Ų61.40%029%0.294CS..THydrogen-bonded Turntrans-731.3173.4-79.890.2000115.5I187 N188 F191 C216 P217 L219 W244 F261 M262 K263 C267I187-W265 HydrophobicContact CG2-CH2 4.16Å; I187-W265 HydrophobicContact CG2-CZ3 3.92Å; N188-W265 HydrophobicContact CB-CE3 3.92Å; N188-W265 HydrophobicContact CB-CZ3 4.42Å; N188-W265 PolarHBondContact ND2-O 3.38Å; F191-W265 HydrophobicContact CB-CH2 4.06Å; F191-W265 HydrophobicContact CB-CZ3 3.74Å; F191-W265 HydrophobicContact CD1-CE3 4.21Å; F191-W265 AromaticContact CD1-CH2 3.46Å; F191-W265 HydrophobicContact CD1-CH2 3.46Å; F191-W265 VanDerWaalsContact CD1-CH2 3.46Å; F191-W265 HydrophobicContact CD1-CZ2 4.12Å; F191-W265 AromaticContact CD1-CZ3 3.52Å; F191-W265 HydrophobicContact CD1-CZ3 3.52Å; F191-W265 HydrophobicContact CD2-CH2 4.28Å; F191-W265 AromaticContact CE1-CH2 3.93Å; F191-W265 HydrophobicContact CE1-CH2 3.93Å; F191-W265 HydrophobicContact CE1-CZ2 4.17Å; F191-W265 HydrophobicContact CE1-CZ3 4.35Å; F191-W265 AromaticContact CG-CH2 3.67Å; F191-W265 HydrophobicContact CG-CH2 3.67Å; F191-W265 AromaticContact CG-CZ3 3.77Å; F191-W265 HydrophobicContact CG-CZ3 3.77Å; C216-W265 HydrophobicContact CB-CH2 3.7Å; C216-W265 HydrophobicContact CB-CZ2 3.74Å; P217-W265 HydrophobicContact CB-CD2 4.44Å; P217-W265 HydrophobicContact CB-CG 4.43Å; P217-W265 HydrophobicContact CG-CD2 4.27Å; P217-W265 HydrophobicContact CG-CZ2 4.48Å; P217-W265 PolarHBondContact O-NE1 3.33Å; L219-W265 HydrophobicContact CD1-CH2 4.16Å; L219-W265 HydrophobicContact CD1-CZ2 3.59Å; L219-W265 HydrophobicContact CG-CZ2 4.01Å; W244-W265 HydrophobicContact CH2-CB 4.03Å; W244-W265 AromaticContact CH2-CD2 3.66Å; W244-W265 HydrophobicContact CH2-CD2 3.66Å; W244-W265 AromaticContact CH2-CE3 3.98Å; W244-W265 HydrophobicContact CH2-CE3 3.98Å; W244-W265 AromaticContact CH2-CG 3.67Å; W244-W265 HydrophobicContact CH2-CG 3.67Å; W244-W265 HydrophobicContact CZ2-CB 4.34Å; W244-W265 HydrophobicContact CZ2-CD2 4.38Å; W244-W265 HydrophobicContact CZ2-CE3 4.35Å; W244-W265 HydrophobicContact CZ2-CG 4.39Å; W244-W265 HydrophobicContact CZ3-CG 4.46Å; F261-W265 AromaticContact CD1-CD1 3.65Å; F261-W265 AromaticContact CD1-NE1 3.96Å; F261-W265 AromaticContact CE1-CD1 3.29Å; F261-W265 HydrophobicContact CE1-CG 4.34Å; F261-W265 AromaticContact CE1-NE1 3.16Å; F261-W265 AromaticContact CZ-CD1 3.81Å; F261-W265 AromaticContact CZ-NE1 3.23Å; F261-W265 VanDerWaalsContact O-CD1 3.3Å; F261-W265 PolarHBondContact O-N 3.21Å; F261-W265 VanDerWaalsContact O-N 3.16Å; M262-W265 CarbonylContact O-C 3.6Å; M262-W265 PolarHBondContact O-N 3Å; K263-W265 PolarHBondContact O-N 3.19Å; W265-C267 PolarHBondContact O-N 2.68Å
266K97.9Very high97.9Very high119 Ų11958.3 Ų58.352%0.51728%0.278SS..THydrogen-bonded Turntrans58.827.7179.8-51.1-65-176.5-168.60113.9V184 E185 M262 K263 E264V184-K266 HydrophobicContact CB-CG 4.2Å; V184-K266 HydrophobicContact CG1-CG 4.16Å; E185-K266 HydrophobicContact CG-CB 3.87Å; E185-K266 HydrophobicContact CG-CG 4Å; E185-K266 WeakPolarHBondContact OE1-CG 3.29Å; M262-K266 PolarHBondContact O-N 2.95Å; K263-K266 PolarHBondContact O-N 3.11Å; E264-K266 PolarHBondContact O-N 3.04Å
267C98.3Very high98.1Very high14 Ų1456.2 Ų56.210%0.09526%0.261CS..  trans-63150.7172.3-67.20000111.1M262 W265 L271 I272M262-C267 HydrophobicContact CB-CB 4.13Å; M262-C267 HydrophobicContact CE-CB 4.06Å; M262-C267 WeakPolarHBondContact O-CB 3.49Å; M262-C267 PolarHBondContact O-N 3.46Å; W265-C267 PolarHBondContact O-N 2.68Å; C267-L271 HydrophobicContact CB-CD2 4.03Å; C267-I272 HydrophobicContact CB-CD1 4.33Å; C267-I272 HydrophobicContact CB-CG1 3.97Å
268S97.9Very high98.2Very high70 Ų7052.5 Ų52.549%0.4924%0.241SC..  trans-66.3150.2177.1760000111.6Q270 L271 I272S268-Q270 PolarHBondContact O-N 3.38Å; S268-L271 PolarHBondContact O-N 3.18Å; S268-L271 VanDerWaalsContact O-N 3.12Å; S268-L271 WeakPolarHBondContact OG-CB 3.34Å; S268-L271 PolarHBondContact OG-N 3.19Å; S268-L271 VanDerWaalsContact OG-N 3.16Å; S268-I272 WeakPolarHBondContact O-CG1 3.48Å; S268-I272 PolarHBondContact O-N 3.13Å
269N98.2Very high98.2Very high130 Ų13052.6 Ų52.670%0.69524%0.242SC*.Hα-helixtrans-57.8-34.1177-73.3-31000112.6R273N269-R273 WeakPolarHBondContact O-CB 3.26Å; N269-R273 PolarHBondContact O-N 2.84Å
270Q98.2Very high98.1Very high85 Ų8549.8 Ų49.840%0.39724%0.237SC..Hα-helixtrans-66.1-47.5176.5178.155.427.700110.9S268 I272 R273 E274S268-Q270 PolarHBondContact O-N 3.38Å; Q270-I272 PolarHBondContact O-N 2.67Å; Q270-R273 WeakPolarHBondContact O-CB 3.29Å; Q270-R273 PolarHBondContact O-N 3.37Å; Q270-E274 PolarHBondContact NE2-OE1 2.81Å; Q270-E274 WeakPolarHBondContact O-CG 3.41Å; Q270-E274 PolarHBondContact O-N 3.11Å
271L98.5Very high98.1Very high12 Ų1243.2 Ų43.26%0.06321%0.214CC..Hα-helixtrans-61.9-42.3177.1178.962000112.1E240 R241 M262 C267 S268 R273 E274 V275E240-L271 HydrophobicContact CG-CD1 4.32Å; E240-L271 HydrophobicContact CG-CD2 3.81Å; E240-L271 WeakPolarHBondContact OE1-CD2 3.29Å; R241-L271 HydrophobicContact CB-CD1 3.65Å; M262-L271 HydrophobicContact CE-CD2 4.26Å; M262-L271 HydrophobicContact CE-CG 3.85Å; C267-L271 HydrophobicContact CB-CD2 4.03Å; S268-L271 PolarHBondContact O-N 3.18Å; S268-L271 VanDerWaalsContact O-N 3.12Å; S268-L271 WeakPolarHBondContact OG-CB 3.34Å; S268-L271 PolarHBondContact OG-N 3.19Å; S268-L271 VanDerWaalsContact OG-N 3.16Å; L271-R273 VanDerWaalsContact C-N 3.31Å; L271-R273 PolarHBondContact O-N 3.31Å; L271-E274 PolarHBondContact O-N 3.12Å; L271-V275 HydrophobicContact CD1-CG2 4.1Å; L271-V275 WeakPolarHBondContact O-CG2 3.26Å; L271-V275 PolarHBondContact O-N 3.37Å
272I98.6Very high98.1Very high7 Ų742.7 Ų42.74%0.03621%0.211CC..Hα-helixtrans-59-45.1175.6-65.8166.8000110.4R259 M262 K263 C267 S268 Q270 T276R259-I272 HydrophobicContact CB-CG2 4.34Å; R259-I272 HydrophobicContact CG-CG2 3.97Å; M262-I272 HydrophobicContact CB-CD1 4.29Å; M262-I272 HydrophobicContact CB-CG1 3.71Å; M262-I272 HydrophobicContact CE-CG1 4.26Å; M262-I272 HydrophobicContact SD-CG1 4.39Å; K263-I272 HydrophobicContact CG-CD1 3.76Å; C267-I272 HydrophobicContact CB-CD1 4.33Å; C267-I272 HydrophobicContact CB-CG1 3.97Å; S268-I272 WeakPolarHBondContact O-CG1 3.48Å; S268-I272 PolarHBondContact O-N 3.13Å; Q270-I272 PolarHBondContact O-N 2.67Å; I272-T276 HydrophobicContact CG2-CG2 4.4Å; I272-T276 WeakPolarHBondContact O-CB 3.44Å; I272-T276 WeakPolarHBondContact O-CG2 3.48Å; I272-T276 PolarHBondContact O-N 3.38Å; I272-T276 PolarHBondContact O-OG1 2.94Å; I272-T276 VanDerWaalsContact O-OG1 3.05Å
273R98.1Very high98Very high109 Ų10946.7 Ų46.741%0.41123%0.23SC..Hα-helixtrans-59.6-53.5177.3-178.4179.472.292.4-8.2111N269 Q270 L271 V275 T276 E277N269-R273 WeakPolarHBondContact O-CB 3.26Å; N269-R273 PolarHBondContact O-N 2.84Å; Q270-R273 WeakPolarHBondContact O-CB 3.29Å; Q270-R273 PolarHBondContact O-N 3.37Å; L271-R273 VanDerWaalsContact C-N 3.31Å; L271-R273 PolarHBondContact O-N 3.31Å; R273-V275 PolarHBondContact O-N 3.36Å; R273-T276 PolarHBondContact O-N 2.81Å; R273-T276 VanDerWaalsContact O-N 3.15Å; R273-T276 PolarHBondContact O-OG1 3.45Å; R273-E277 WeakPolarHBondContact CG-OE1 3.38Å; R273-E277 IonicContact CZ-OE1 3.62Å; R273-E277 IonicContact NH1-OE1 3.65Å; R273-E277 PolarHBondContact NH1-OE1 2.97Å; R273-E277 IonicContact NH1-OE2 2.65Å; R273-E277 PolarHBondContact NH1-OE2 3.45Å; R273-E277 WeakPolarHBondContact O-CG 3.36Å; R273-E277 PolarHBondContact O-N 3.26Å
274E98.5Very high97.9Very high25 Ų2543.5 Ų43.512%0.11722%0.216CC..Hα-helixtrans-55.5-48.2-180-68.9177.4-172.900111.8R241 Q270 L271 T276 E277 M278 L302R241-E274 VanDerWaalsContact CD-OE2 3.28Å; R241-E274 WeakPolarHBondContact CD-OE2 3.39Å; R241-E274 IonicContact NH1-OE2 3.88Å; Q270-E274 PolarHBondContact NE2-OE1 2.81Å; Q270-E274 WeakPolarHBondContact O-CG 3.41Å; Q270-E274 PolarHBondContact O-N 3.11Å; L271-E274 PolarHBondContact O-N 3.12Å; E274-T276 PolarHBondContact O-N 3.37Å; E274-E277 PolarHBondContact O-N 3.33Å; E274-M278 WeakPolarHBondContact O-CB 3.28Å; E274-M278 VanDerWaalsContact O-CG 3.25Å; E274-M278 WeakPolarHBondContact O-CG 3.2Å; E274-M278 PolarHBondContact O-N 3.15Å; E274-L302 HydrophobicContact CB-CD1 4.35Å; E274-L302 HydrophobicContact CB-CD2 3.97Å; E274-L302 HydrophobicContact CG-CD1 4.26Å; E274-L302 HydrophobicContact CG-CD2 3.86Å
275V98.6Very high97.9Very high0 Ų040.3 Ų40.30%020%0.2CC..Hα-helixtrans-64.9-39.4179.5173.80000111.4W244 M248 I258 M262 L271 R273 E277 M278 V279W244-V275 HydrophobicContact CB-CG1 4.41Å; W244-V275 HydrophobicContact CB-CG2 3.69Å; M248-V275 HydrophobicContact CG-CG1 3.85Å; I258-V275 HydrophobicContact CG2-CG1 4.12Å; M262-V275 HydrophobicContact CE-CB 3.99Å; M262-V275 HydrophobicContact CE-CG1 4.35Å; M262-V275 HydrophobicContact CE-CG2 3.75Å; M262-V275 HydrophobicContact SD-CB 3.75Å; M262-V275 HydrophobicContact SD-CG1 3.69Å; M262-V275 HydrophobicContact SD-CG2 4.18Å; L271-V275 HydrophobicContact CD1-CG2 4.1Å; L271-V275 WeakPolarHBondContact O-CG2 3.26Å; L271-V275 PolarHBondContact O-N 3.37Å; R273-V275 PolarHBondContact O-N 3.36Å; V275-E277 PolarHBondContact O-N 3.04Å; V275-M278 PolarHBondContact O-N 3.16Å; V275-V279 HydrophobicContact CG1-CG2 4.01Å; V275-V279 WeakPolarHBondContact O-CG2 3.35Å; V275-V279 PolarHBondContact O-N 2.94Å
276T98.2Very high97.8Very high6 Ų641.8 Ų41.84%0.03721%0.208CC..Hα-helixtrans-68.7-21176.559.10000114.2I255 I258 R259 I272 R273 E274 P280I255-T276 HydrophobicContact CG2-CG2 4.21Å; I258-T276 HydrophobicContact CB-CG2 4.34Å; I258-T276 HydrophobicContact CG2-CG2 3.73Å; R259-T276 HydrophobicContact CG-CG2 3.68Å; R259-T276 PolarHBondContact NH1-OG1 2.67Å; R259-T276 PolarHBondContact NH2-OG1 3.36Å; I272-T276 HydrophobicContact CG2-CG2 4.4Å; I272-T276 WeakPolarHBondContact O-CB 3.44Å; I272-T276 WeakPolarHBondContact O-CG2 3.48Å; I272-T276 PolarHBondContact O-N 3.38Å; I272-T276 PolarHBondContact O-OG1 2.94Å; I272-T276 VanDerWaalsContact O-OG1 3.05Å; R273-T276 PolarHBondContact O-N 2.81Å; R273-T276 VanDerWaalsContact O-N 3.15Å; R273-T276 PolarHBondContact O-OG1 3.45Å; E274-T276 PolarHBondContact O-N 3.37Å; T276-P280 WeakPolarHBondContact O-CD 3.3Å; T276-P280 WeakPolarHBondContact O-CG 3.39Å
277E97.8Very high97.7Very high60 Ų6043.6 Ų43.628%0.2822%0.216SC..Hα-helixtrans-84.8-40.7170.9-69.3168.4-167.500110.6R273 E274 V275 P280 A281 L298 L302R273-E277 WeakPolarHBondContact CG-OE1 3.38Å; R273-E277 IonicContact CZ-OE1 3.62Å; R273-E277 IonicContact NH1-OE1 3.65Å; R273-E277 PolarHBondContact NH1-OE1 2.97Å; R273-E277 IonicContact NH1-OE2 2.65Å; R273-E277 PolarHBondContact NH1-OE2 3.45Å; R273-E277 WeakPolarHBondContact O-CG 3.36Å; R273-E277 PolarHBondContact O-N 3.26Å; E274-E277 PolarHBondContact O-N 3.33Å; V275-E277 PolarHBondContact O-N 3.04Å; E277-P280 WeakPolarHBondContact O-CG 3.36Å; E277-A281 VanDerWaalsContact O-CB 3.27Å; E277-A281 WeakPolarHBondContact O-CB 3.47Å; E277-A281 PolarHBondContact O-N 2.95Å; E277-L298 HydrophobicContact CB-CD1 4.02Å; E277-L302 HydrophobicContact CB-CD1 4.17Å; E277-L302 WeakPolarHBondContact OE2-CD1 3.25Å
278M98.4Very high97.6Very high0 Ų048.7 Ų48.70%024%0.237CC..Hα-helixtrans-72.2-36.6-176.7-74.2-176.858.600114.3R241 Q242 T245 E274 V275 A281 L282 L302 S305 V306 L309R241-M278 HydrophobicContact CB-SD 4.34Å; R241-M278 HydrophobicContact CG-SD 4.16Å; Q242-M278 HydrophobicContact CG-CE 4.23Å; T245-M278 HydrophobicContact CG2-CB 3.86Å; T245-M278 HydrophobicContact CG2-CE 4.19Å; T245-M278 WeakPolarHBondContact OG1-CE 3.36Å; E274-M278 WeakPolarHBondContact O-CB 3.28Å; E274-M278 VanDerWaalsContact O-CG 3.25Å; E274-M278 WeakPolarHBondContact O-CG 3.2Å; E274-M278 PolarHBondContact O-N 3.15Å; V275-M278 PolarHBondContact O-N 3.16Å; M278-A281 PolarHBondContact O-N 3Å; M278-L282 WeakPolarHBondContact O-CB 3.28Å; M278-L282 PolarHBondContact O-N 3.39Å; M278-L302 HydrophobicContact CG-CB 4.17Å; M278-L302 HydrophobicContact CG-CD2 4.14Å; M278-L302 HydrophobicContact SD-CD2 3.91Å; M278-S305 WeakPolarHBondContact CE-OG 3.37Å; M278-V306 HydrophobicContact CB-CG2 3.85Å; M278-V306 HydrophobicContact CE-CG2 3.96Å; M278-V306 HydrophobicContact CG-CG2 3.78Å; M278-L309 HydrophobicContact CE-CD1 3.97Å
279V98.4Very high97.5Very high3 Ų350.1 Ų50.12%0.01824%0.236CC..Hα-helixtrans-59.2-57.4179.7166.40000112.3T245 M248 I249 I258 V275 A281 L282 Q283T245-V279 HydrophobicContact CG2-CG2 3.98Å; M248-V279 HydrophobicContact CB-CG2 3.77Å; I249-V279 HydrophobicContact CD1-CB 4.48Å; I249-V279 HydrophobicContact CD1-CG1 3.8Å; I249-V279 HydrophobicContact CG1-CG1 4.38Å; I249-V279 HydrophobicContact CG1-CG2 4.44Å; I258-V279 HydrophobicContact CD1-CB 4.13Å; I258-V279 HydrophobicContact CD1-CG1 3.85Å; I258-V279 HydrophobicContact CD1-CG2 4Å; V275-V279 HydrophobicContact CG1-CG2 4.01Å; V275-V279 WeakPolarHBondContact O-CG2 3.35Å; V275-V279 PolarHBondContact O-N 2.94Å; V279-A281 VanDerWaalsContact C-N 3.26Å; V279-A281 PolarHBondContact O-N 3.45Å; V279-L282 PolarHBondContact O-N 3.43Å; V279-Q283 WeakPolarHBondContact O-CG 3.42Å; V279-Q283 PolarHBondContact O-N 3.16Å
280P96.8Very high97.3Very high45 Ų4544.8 Ų44.829%0.29221%0.206SC..Hα-helixtrans-64.2-33.2177.424.8-33.6000112.1I255 T276 E277 Q283 F284I255-P280 HydrophobicContact CD1-CG 4.25Å; T276-P280 WeakPolarHBondContact O-CD 3.3Å; T276-P280 WeakPolarHBondContact O-CG 3.39Å; E277-P280 WeakPolarHBondContact O-CG 3.36Å; P280-Q283 PolarHBondContact O-N 3.05Å; P280-F284 WeakPolarHBondContact O-CB 3.17Å; P280-F284 PolarHBondContact O-N 2.89Å
281A97.6Very high97.1Very high10 Ų1043.2 Ų43.28%0.08320%0.2CC..Hα-helixtrans-65.3-38.817600000112.9E277 M278 V279 F284 R285 W290 L298 V306E277-A281 VanDerWaalsContact O-CB 3.27Å; E277-A281 WeakPolarHBondContact O-CB 3.47Å; E277-A281 PolarHBondContact O-N 2.95Å; M278-A281 PolarHBondContact O-N 3Å; V279-A281 VanDerWaalsContact C-N 3.26Å; V279-A281 PolarHBondContact O-N 3.45Å; A281-F284 PolarHBondContact O-N 3.48Å; A281-R285 VanDerWaalsContact O-CB 3.24Å; A281-R285 WeakPolarHBondContact O-CB 3.37Å; A281-R285 PolarHBondContact O-N 3.03Å; A281-W290 HydrophobicContact CB-CH2 4.06Å; A281-W290 HydrophobicContact CB-CZ3 4.39Å; A281-L298 HydrophobicContact CB-CD1 4.07Å; A281-L298 HydrophobicContact CB-CD2 3.63Å; A281-L298 HydrophobicContact CB-CG 4.47Å; A281-V306 HydrophobicContact CB-CG2 4.14Å
282L97.6Very high96.9Very high0 Ų044.8 Ų44.80%021%0.209CC..Hα-helixtrans-67.2-43.8173.6-177.758.1000111.1T245 I249 M278 V279 F284 R285 L286 V306 L309 L310 F313T245-L282 HydrophobicContact CG2-CD2 4.31Å; I249-L282 HydrophobicContact CD1-CD2 4.35Å; I249-L282 HydrophobicContact CG1-CD2 4.06Å; M278-L282 WeakPolarHBondContact O-CB 3.28Å; M278-L282 PolarHBondContact O-N 3.39Å; V279-L282 PolarHBondContact O-N 3.43Å; L282-F284 VanDerWaalsContact C-N 3.28Å; L282-F284 PolarHBondContact O-N 3.35Å; L282-R285 PolarHBondContact O-N 3.12Å; L282-R285 VanDerWaalsContact O-N 3.16Å; L282-L286 HydrophobicContact CD1-CD1 4.42Å; L282-L286 HydrophobicContact CD1-CG 4.15Å; L282-L286 HydrophobicContact CG-CD1 4.17Å; L282-L286 HydrophobicContact CG-CG 4.36Å; L282-L286 WeakPolarHBondContact O-CB 3.33Å; L282-L286 VanDerWaalsContact O-CG 3.26Å; L282-L286 WeakPolarHBondContact O-CG 3.47Å; L282-L286 PolarHBondContact O-N 3.1Å; L282-V306 HydrophobicContact CB-CG1 3.92Å; L282-V306 HydrophobicContact CD1-CG1 3.97Å; L282-L309 HydrophobicContact CD1-CB 4Å; L282-L309 HydrophobicContact CD2-CB 4.06Å; L282-L309 HydrophobicContact CD2-CD1 3.74Å; L282-L310 HydrophobicContact CD1-CD2 4.25Å; L282-F313 HydrophobicContact CD1-CE2 4.44Å; L282-F313 HydrophobicContact CD2-CE2 3.74Å; L282-F313 HydrophobicContact CD2-CZ 4.15Å; L282-F313 HydrophobicContact CG-CE2 4.43Å
283Q96.5Very high96.8Very high84 Ų8447.1 Ų47.139%0.39322%0.217SC..Hα-helixtrans-59.2-40.2175.2-69.9174.5-24.800112.1I249 V279 P280I249-Q283 HydrophobicContact CD1-CG 3.6Å; V279-Q283 WeakPolarHBondContact O-CG 3.42Å; V279-Q283 PolarHBondContact O-N 3.16Å; P280-Q283 PolarHBondContact O-N 3.05Å
284F96.4Very high96.6Very high52 Ų5243.5 Ų43.523%0.22821%0.207CC..Hα-helixtrans-62.2-51.6171.9173.9-91.4000110.8P280 A281 L282 L286 K287 F288 E289 W290 D291 T294P280-F284 WeakPolarHBondContact O-CB 3.17Å; P280-F284 PolarHBondContact O-N 2.89Å; A281-F284 PolarHBondContact O-N 3.48Å; L282-F284 VanDerWaalsContact C-N 3.28Å; L282-F284 PolarHBondContact O-N 3.35Å; F284-L286 VanDerWaalsContact C-N 3.27Å; F284-L286 PolarHBondContact O-N 3.34Å; F284-K287 CarbonylContact O-C 3.55Å; F284-K287 WeakPolarHBondContact O-CA 3.21Å; F284-K287 PolarHBondContact O-N 3.31Å; F284-F288 HydrophobicContact CD1-CB 4.49Å; F284-F288 HydrophobicContact CD2-CB 4.41Å; F284-F288 AromaticContact CD2-CD2 3.63Å; F284-F288 HydrophobicContact CD2-CD2 3.63Å; F284-F288 HydrophobicContact CD2-CE2 4.41Å; F284-F288 HydrophobicContact CD2-CG 4.42Å; F284-F288 HydrophobicContact CE1-CB 4Å; F284-F288 HydrophobicContact CE2-CB 3.93Å; F284-F288 AromaticContact CE2-CD2 3.66Å; F284-F288 HydrophobicContact CE2-CD2 3.66Å; F284-F288 HydrophobicContact CE2-CG 4.06Å; F284-F288 HydrophobicContact CG-CD2 4.29Å; F284-F288 HydrophobicContact CZ-CB 3.7Å; F284-F288 HydrophobicContact CZ-CD2 4.32Å; F284-F288 HydrophobicContact CZ-CG 4.33Å; F284-F288 PolarHBondContact O-N 3.04Å; F284-E289 WeakPolarHBondContact CE1-O 3.47Å; F284-W290 HydrophobicContact CD1-CE3 4.38Å; F284-W290 HydrophobicContact CD1-CZ3 4.42Å; F284-W290 HydrophobicContact CE1-CE3 4.38Å; F284-D291 WeakPolarHBondContact CZ-OD2 3.33Å; F284-T294 HydrophobicContact CD1-CG2 4.14Å; F284-T294 HydrophobicContact CE1-CG2 4.17Å
285R96.9Very high96.5Very high15 Ų1542.3 Ų42.36%0.05720%0.202CC..Hα-helixtrans-65.7-27.5-176.1-178.854.6-174.3112.9-1.2113.7A281 L282 K287 F288 E289 W290 V306 E307 L310A281-R285 VanDerWaalsContact O-CB 3.24Å; A281-R285 WeakPolarHBondContact O-CB 3.37Å; A281-R285 PolarHBondContact O-N 3.03Å; L282-R285 PolarHBondContact O-N 3.12Å; L282-R285 VanDerWaalsContact O-N 3.16Å; R285-K287 PolarHBondContact O-N 3.21Å; R285-F288 CarbonylContact C-O 3.56Å; R285-F288 WeakPolarHBondContact CA-O 3.34Å; R285-F288 PolarHBondContact NH1-O 3.2Å; R285-E289 IonicContact CZ-OE1 2.86Å; R285-E289 IonicContact NH1-OE1 2.64Å; R285-E289 PolarHBondContact NH1-OE1 2.83Å; R285-E289 IonicContact NH2-OE1 3.84Å; R285-E289 PolarHBondContact NH2-OE1 3Å; R285-E289 IonicContact NH2-OE2 3.13Å; R285-W290 HydrophobicContact CB-CH2 4.19Å; R285-W290 HydrophobicContact CB-CZ2 3.89Å; R285-W290 VanDerWaalsContact CD-NE1 3.27Å; R285-W290 HydrophobicContact CG-CZ2 3.83Å; R285-V306 HydrophobicContact CB-CG1 4.24Å; R285-E307 IonicContact CZ-OE1 3.67Å; R285-E307 IonicContact CZ-OE2 3.39Å; R285-E307 IonicContact NE-OE1 3.86Å; R285-E307 IonicContact NE-OE2 2.73Å; R285-E307 PolarHBondContact NE-OE2 3.02Å; R285-E307 IonicContact NH2-OE1 2.65Å; R285-E307 PolarHBondContact NH2-OE1 3.08Å; R285-E307 VanDerWaalsContact NH2-OE1 3.1Å; R285-E307 IonicContact NH2-OE2 2.93Å; R285-L310 HydrophobicContact CG-CD1 4.2Å; R285-L310 HydrophobicContact CG-CD2 4.14Å; R285-L310 HydrophobicContact CG-CG 4.49Å
286L96.2Very high96.4Very high31 Ų3143.2 Ų43.216%0.16221%0.205CC..THydrogen-bonded Turntrans-70.4-11170.7-71.2174000112.8L282 F284 L310 F313 R315L282-L286 HydrophobicContact CD1-CD1 4.42Å; L282-L286 HydrophobicContact CD1-CG 4.15Å; L282-L286 HydrophobicContact CG-CD1 4.17Å; L282-L286 HydrophobicContact CG-CG 4.36Å; L282-L286 WeakPolarHBondContact O-CB 3.33Å; L282-L286 VanDerWaalsContact O-CG 3.26Å; L282-L286 WeakPolarHBondContact O-CG 3.47Å; L282-L286 PolarHBondContact O-N 3.1Å; F284-L286 VanDerWaalsContact C-N 3.27Å; F284-L286 PolarHBondContact O-N 3.34Å; L286-L310 HydrophobicContact CD2-CD2 3.77Å; L286-F313 HydrophobicContact CD1-CD1 4.07Å; L286-F313 HydrophobicContact CD1-CD2 4.35Å; L286-F313 HydrophobicContact CD1-CE1 4.14Å; L286-F313 HydrophobicContact CD1-CE2 4.45Å; L286-F313 HydrophobicContact CD1-CG 4.18Å; L286-F313 HydrophobicContact CD1-CZ 4.34Å; L286-F313 HydrophobicContact CD2-CB 3.64Å; L286-F313 HydrophobicContact CD2-CD1 4.32Å; L286-F313 HydrophobicContact CD2-CD2 4.01Å; L286-F313 HydrophobicContact CD2-CG 3.73Å; L286-R315 VanDerWaalsContact C-NH1 3.27Å; L286-R315 PolarHBondContact O-NH1 3.44Å; L286-R315 PolarHBondContact O-NH2 3.17Å
287K96.3Very high96.3Very high158 Ų15848 Ų4869%0.68723%0.227SC*.THydrogen-bonded Turntrans-116.6-32.6179.3-65.7176.8-176.7175.60112.8F284 R285F284-K287 CarbonylContact O-C 3.55Å; F284-K287 WeakPolarHBondContact O-CA 3.21Å; F284-K287 PolarHBondContact O-N 3.31Å; R285-K287 PolarHBondContact O-N 3.21Å
288F96Very high96.2Very high120 Ų12046 Ų4653%0.52622%0.219SC..SBendtrans-130.7158.5-171.5-52.8-69.8000110.9F284 R285F284-F288 HydrophobicContact CD1-CB 4.49Å; F284-F288 HydrophobicContact CD2-CB 4.41Å; F284-F288 AromaticContact CD2-CD2 3.63Å; F284-F288 HydrophobicContact CD2-CD2 3.63Å; F284-F288 HydrophobicContact CD2-CE2 4.41Å; F284-F288 HydrophobicContact CD2-CG 4.42Å; F284-F288 HydrophobicContact CE1-CB 4Å; F284-F288 HydrophobicContact CE2-CB 3.93Å; F284-F288 AromaticContact CE2-CD2 3.66Å; F284-F288 HydrophobicContact CE2-CD2 3.66Å; F284-F288 HydrophobicContact CE2-CG 4.06Å; F284-F288 HydrophobicContact CG-CD2 4.29Å; F284-F288 HydrophobicContact CZ-CB 3.7Å; F284-F288 HydrophobicContact CZ-CD2 4.32Å; F284-F288 HydrophobicContact CZ-CG 4.33Å; F284-F288 PolarHBondContact O-N 3.04Å; R285-F288 CarbonylContact C-O 3.56Å; R285-F288 WeakPolarHBondContact CA-O 3.34Å; R285-F288 PolarHBondContact NH1-O 3.2Å
289E95Very high96.1Very high100 Ų10046.9 Ų46.947%0.46723%0.227SC..PPolyproline II helixtrans-76157.1163.1-72.1-68.8121.400109.4F284 R285 D291 K321F284-E289 WeakPolarHBondContact CE1-O 3.47Å; R285-E289 IonicContact CZ-OE1 2.86Å; R285-E289 IonicContact NH1-OE1 2.64Å; R285-E289 PolarHBondContact NH1-OE1 2.83Å; R285-E289 IonicContact NH2-OE1 3.84Å; R285-E289 PolarHBondContact NH2-OE1 3Å; R285-E289 IonicContact NH2-OE2 3.13Å; E289-D291 PolarHBondContact O-N 3.34Å; E289-K321 IonicContact OE2-NZ 3.96Å; E289-K321 PolarHBondContact OE2-NZ 3.16Å
290W95.1Very high96Very high18 Ų1852.2 Ų52.27%0.06825%0.247CC..PPolyproline II helixtrans-64.2126.8174.4-66.8108.1000111.9A281 F284 R285 T294 L295 L298 V306 E307 I322A281-W290 HydrophobicContact CB-CH2 4.06Å; A281-W290 HydrophobicContact CB-CZ3 4.39Å; F284-W290 HydrophobicContact CD1-CE3 4.38Å; F284-W290 HydrophobicContact CD1-CZ3 4.42Å; F284-W290 HydrophobicContact CE1-CE3 4.38Å; R285-W290 HydrophobicContact CB-CH2 4.19Å; R285-W290 HydrophobicContact CB-CZ2 3.89Å; R285-W290 VanDerWaalsContact CD-NE1 3.27Å; R285-W290 HydrophobicContact CG-CZ2 3.83Å; W290-T294 HydrophobicContact CE3-CG2 3.88Å; W290-T294 HydrophobicContact CZ3-CG2 3.73Å; W290-L295 HydrophobicContact CB-CD1 3.67Å; W290-L295 HydrophobicContact CB-CD2 3.98Å; W290-L295 HydrophobicContact CB-CG 3.67Å; W290-L295 HydrophobicContact CD2-CD2 3.62Å; W290-L295 HydrophobicContact CD2-CG 4.1Å; W290-L295 HydrophobicContact CE3-CD2 3.9Å; W290-L295 HydrophobicContact CE3-CG 4.16Å; W290-L295 HydrophobicContact CG-CD1 4.27Å; W290-L295 HydrophobicContact CG-CD2 3.68Å; W290-L295 HydrophobicContact CG-CG 3.94Å; W290-L298 HydrophobicContact CH2-CD2 3.51Å; W290-L298 HydrophobicContact CZ2-CD2 4.46Å; W290-L298 HydrophobicContact CZ3-CD2 3.84Å; W290-V306 HydrophobicContact CH2-CB 4.17Å; W290-V306 HydrophobicContact CH2-CG1 3.77Å; W290-V306 HydrophobicContact CZ2-CB 4.04Å; W290-V306 HydrophobicContact CZ2-CG1 3.65Å; W290-E307 PolarHBondContact NE1-OE2 3.38Å; W290-I322 HydrophobicContact CG-CD1 4.19Å
291D92.9Very high96.1Very high53 Ų5355.2 Ų55.228%0.28326%0.257SS..PPolyproline II helixtrans-88.9164.3158.858.166.8000111.1F284 E289 W293 T294 L295F284-D291 WeakPolarHBondContact CZ-OD2 3.33Å; E289-D291 PolarHBondContact O-N 3.34Å; D291-W293 VanDerWaalsContact C-N 3.31Å; D291-W293 PolarHBondContact O-N 3.44Å; D291-W293 PolarHBondContact OD1-N 3.28Å; D291-T294 VanDerWaalsContact CG-OG1 3.3Å; D291-T294 WeakPolarHBondContact OD1-CB 3.15Å; D291-T294 PolarHBondContact OD1-N 2.84Å; D291-T294 PolarHBondContact OD1-OG1 3.34Å; D291-T294 PolarHBondContact OD2-OG1 2.82Å; D291-T294 VanDerWaalsContact OD2-OG1 3.13Å; D291-L295 WeakPolarHBondContact O-CG 3.34Å; D291-L295 PolarHBondContact O-N 3.22Å; D291-L295 VanDerWaalsContact O-N 3.16Å
292N96Very high96.1Very high45 Ų4555.2 Ų55.224%0.24126%0.256CS..Hα-helixtrans-62.7-40.2-176.7-74.1-4.6000111.5L295 Y296 L329 V368N292-L295 PolarHBondContact O-N 2.94Å; N292-Y296 WeakPolarHBondContact O-CB 3.15Å; N292-Y296 PolarHBondContact O-N 2.8Å; N292-L329 HydrophobicContact CB-CD2 3.69Å; N292-V368 HydrophobicContact CB-CG1 4.1Å; N292-V368 VanDerWaalsContact CB-O 3.25Å; N292-V368 WeakPolarHBondContact CB-O 3.45Å; N292-V368 PolarHBondContact ND2-O 2.88Å; N292-V368 VanDerWaalsContact ND2-O 3.12Å
293W95.6Very high96.1Very high55 Ų5555.2 Ų55.221%0.20826%0.256CS..Hα-helixtrans-64.8-45.6-177.7-179.8-114.3000112.4D291 Y296 Q297 E364 Q365 V368 E369D291-W293 VanDerWaalsContact C-N 3.31Å; D291-W293 PolarHBondContact O-N 3.44Å; D291-W293 PolarHBondContact OD1-N 3.28Å; W293-Y296 AromaticContact CE3-CD1 4Å; W293-Y296 HydrophobicContact CE3-CD1 4Å; W293-Y296 AromaticContact CZ3-CD1 3.85Å; W293-Y296 HydrophobicContact CZ3-CD1 3.85Å; W293-Y296 AromaticContact CZ3-CE1 3.96Å; W293-Y296 HydrophobicContact CZ3-CE1 3.96Å; W293-Y296 WeakPolarHBondContact O-CB 3.48Å; W293-Y296 PolarHBondContact O-N 3.16Å; W293-Q297 HydrophobicContact CD2-CG 4.03Å; W293-Q297 HydrophobicContact CG-CG 4.45Å; W293-Q297 HydrophobicContact CZ2-CG 3.97Å; W293-Q297 WeakPolarHBondContact O-CB 3.48Å; W293-Q297 VanDerWaalsContact O-CG 3.28Å; W293-Q297 WeakPolarHBondContact O-CG 3.24Å; W293-Q297 PolarHBondContact O-N 2.81Å; W293-E364 HydrophobicContact CH2-CG 4.49Å; W293-E364 HydrophobicContact CZ3-CG 4.17Å; W293-Q365 HydrophobicContact CD2-CB 4.38Å; W293-Q365 HydrophobicContact CD2-CG 3.85Å; W293-Q365 HydrophobicContact CE3-CB 4.01Å; W293-Q365 HydrophobicContact CE3-CG 3.89Å; W293-Q365 HydrophobicContact CG-CG 4.3Å; W293-Q365 HydrophobicContact CH2-CB 3.96Å; W293-Q365 HydrophobicContact CH2-CG 4.42Å; W293-Q365 HydrophobicContact CZ2-CB 4.35Å; W293-Q365 HydrophobicContact CZ2-CG 4.41Å; W293-Q365 VanDerWaalsContact CZ3-CA 3.46Å; W293-Q365 HydrophobicContact CZ3-CB 3.8Å; W293-Q365 HydrophobicContact CZ3-CG 4.19Å; W293-V368 HydrophobicContact CE3-CB 4.04Å; W293-V368 HydrophobicContact CE3-CG1 3.97Å; W293-V368 HydrophobicContact CE3-CG2 4.39Å; W293-V368 HydrophobicContact CZ3-CB 4.44Å; W293-V368 HydrophobicContact CZ3-CG2 4.38Å; W293-E369 HydrophobicContact CB-CG 4.41Å; W293-E369 WeakPolarHBondContact CB-OE1 3.37Å
294T94.7Very high96.2Very high33 Ų3352.2 Ų52.220%0.20224%0.242CC..Hα-helixtrans-66.4-40.6179.4-54.80000110.9F284 W290 D291 L298F284-T294 HydrophobicContact CD1-CG2 4.14Å; F284-T294 HydrophobicContact CE1-CG2 4.17Å; W290-T294 HydrophobicContact CE3-CG2 3.88Å; W290-T294 HydrophobicContact CZ3-CG2 3.73Å; D291-T294 VanDerWaalsContact CG-OG1 3.3Å; D291-T294 WeakPolarHBondContact OD1-CB 3.15Å; D291-T294 PolarHBondContact OD1-N 2.84Å; D291-T294 PolarHBondContact OD1-OG1 3.34Å; D291-T294 PolarHBondContact OD2-OG1 2.82Å; D291-T294 VanDerWaalsContact OD2-OG1 3.13Å; T294-L298 VanDerWaalsContact O-CB 3.3Å; T294-L298 WeakPolarHBondContact O-CB 3.27Å; T294-L298 PolarHBondContact O-N 3.49Å
295L95.8Very high96.3Very high0 Ų050 Ų500%023%0.233CC..Hα-helixtrans-61.8-44.2173.1-77.5171.2000112.3W290 D291 N292 G299 A303 I322 L325 Y326W290-L295 HydrophobicContact CB-CD1 3.67Å; W290-L295 HydrophobicContact CB-CD2 3.98Å; W290-L295 HydrophobicContact CB-CG 3.67Å; W290-L295 HydrophobicContact CD2-CD2 3.62Å; W290-L295 HydrophobicContact CD2-CG 4.1Å; W290-L295 HydrophobicContact CE3-CD2 3.9Å; W290-L295 HydrophobicContact CE3-CG 4.16Å; W290-L295 HydrophobicContact CG-CD1 4.27Å; W290-L295 HydrophobicContact CG-CD2 3.68Å; W290-L295 HydrophobicContact CG-CG 3.94Å; D291-L295 WeakPolarHBondContact O-CG 3.34Å; D291-L295 PolarHBondContact O-N 3.22Å; D291-L295 VanDerWaalsContact O-N 3.16Å; N292-L295 PolarHBondContact O-N 2.94Å; L295-G299 PolarHBondContact O-N 2.86Å; L295-A303 HydrophobicContact CD2-CB 3.66Å; L295-I322 HydrophobicContact CD2-CG2 3.98Å; L295-L325 HydrophobicContact CD1-CB 3.83Å; L295-L325 HydrophobicContact CD1-CD1 4.07Å; L295-Y326 WeakPolarHBondContact O-CE2 3.39Å
296Y96.9Very high96.4Very high19 Ų1949.3 Ų49.38%0.07523%0.23CC..Hα-helixtrans-60.8-49.6178172.7-93.9000111.6N292 W293 L298 G299 L329 I331 S333 L334 E364 V368N292-Y296 WeakPolarHBondContact O-CB 3.15Å; N292-Y296 PolarHBondContact O-N 2.8Å; W293-Y296 AromaticContact CE3-CD1 4Å; W293-Y296 HydrophobicContact CE3-CD1 4Å; W293-Y296 AromaticContact CZ3-CD1 3.85Å; W293-Y296 HydrophobicContact CZ3-CD1 3.85Å; W293-Y296 AromaticContact CZ3-CE1 3.96Å; W293-Y296 HydrophobicContact CZ3-CE1 3.96Å; W293-Y296 WeakPolarHBondContact O-CB 3.48Å; W293-Y296 PolarHBondContact O-N 3.16Å; Y296-L298 PolarHBondContact O-N 2.87Å; Y296-G299 PolarHBondContact O-N 2.87Å; Y296-L329 HydrophobicContact CD2-CD1 4.45Å; Y296-I331 WeakPolarHBondContact CD2-O 3.41Å; Y296-I331 HydrophobicContact CE2-CG1 4.15Å; Y296-I331 WeakPolarHBondContact CE2-O 3.39Å; Y296-S333 WeakPolarHBondContact OH-CA 3.34Å; Y296-S333 PolarHBondContact OH-N 3.36Å; Y296-L334 PolarHBondContact OH-N 2.75Å; Y296-E364 HydrophobicContact CE1-CG 4.2Å; Y296-E364 WeakPolarHBondContact CE1-OE1 3.41Å; Y296-E364 VanDerWaalsContact CZ-OE1 3.31Å; Y296-E364 PolarHBondContact OH-OE1 2.65Å; Y296-V368 HydrophobicContact CD1-CG1 4.35Å; Y296-V368 HydrophobicContact CD1-CG2 4.02Å; Y296-V368 HydrophobicContact CD2-CG1 4.19Å; Y296-V368 HydrophobicContact CD2-CG2 3.61Å; Y296-V368 HydrophobicContact CE1-CG2 4.15Å; Y296-V368 HydrophobicContact CE2-CG2 3.74Å; Y296-V368 HydrophobicContact CG-CB 4.44Å; Y296-V368 HydrophobicContact CG-CG1 3.79Å; Y296-V368 HydrophobicContact CG-CG2 3.75Å
297Q95.4Very high96.5Very high108 Ų10847.8 Ų47.851%0.50522%0.223SC..Hα-helixtrans-63.8-39.9-179.5-72.1-63.4-43.700112.5W293W293-Q297 HydrophobicContact CD2-CG 4.03Å; W293-Q297 HydrophobicContact CG-CG 4.45Å; W293-Q297 HydrophobicContact CZ2-CG 3.97Å; W293-Q297 WeakPolarHBondContact O-CB 3.48Å; W293-Q297 VanDerWaalsContact O-CG 3.28Å; W293-Q297 WeakPolarHBondContact O-CG 3.24Å; W293-Q297 PolarHBondContact O-N 2.81Å
298L96.7Very high96.6Very high18 Ų1842.5 Ų42.59%0.09420%0.199CC..Hα-helixtrans-75.4-29.9-179.9-174.960.8000112.7E277 A281 W290 T294 Y296 L302 A303 V306E277-L298 HydrophobicContact CB-CD1 4.02Å; A281-L298 HydrophobicContact CB-CD1 4.07Å; A281-L298 HydrophobicContact CB-CD2 3.63Å; A281-L298 HydrophobicContact CB-CG 4.47Å; W290-L298 HydrophobicContact CH2-CD2 3.51Å; W290-L298 HydrophobicContact CZ2-CD2 4.46Å; W290-L298 HydrophobicContact CZ3-CD2 3.84Å; T294-L298 VanDerWaalsContact O-CB 3.3Å; T294-L298 WeakPolarHBondContact O-CB 3.27Å; T294-L298 PolarHBondContact O-N 3.49Å; Y296-L298 PolarHBondContact O-N 2.87Å; L298-L302 HydrophobicContact CD1-CB 3.65Å; L298-L302 HydrophobicContact CD1-CD1 4.09Å; L298-L302 HydrophobicContact CD2-CB 4.44Å; L298-L302 HydrophobicContact CG-CB 3.73Å; L298-A303 HydrophobicContact CD2-CB 4.05Å; L298-A303 HydrophobicContact CG-CB 4.5Å; L298-V306 HydrophobicContact CD2-CG2 4.2Å
299G96.5Very high96.7Very high17 Ų1736.8 Ų36.818%0.17517%0.174CC..  trans79155.5-17600000113.3L295 Y296 E301 L302 A303L295-G299 PolarHBondContact O-N 2.86Å; Y296-G299 PolarHBondContact O-N 2.87Å; G299-E301 VanDerWaalsContact C-N 3.34Å; G299-E301 PolarHBondContact O-N 3.45Å; G299-L302 PolarHBondContact O-N 3.18Å; G299-A303 VanDerWaalsContact O-CB 3.29Å; G299-A303 WeakPolarHBondContact O-CB 3.33Å; G299-A303 PolarHBondContact O-N 3.02Å
300R96.3Very high96.8Very high115 Ų11532.1 Ų32.143%0.43415%0.152SC..Hα-helixtrans-55-45.8-169.7-172.9172.9174.9-95.15.6114L304 Y326R300-L304 HydrophobicContact CG-CD1 4.08Å; R300-L304 VanDerWaalsContact O-CG 3.26Å; R300-L304 WeakPolarHBondContact O-CG 3.48Å; R300-L304 PolarHBondContact O-N 2.96Å; R300-L304 VanDerWaalsContact O-N 3.08Å; R300-Y326 HydrophobicContact CB-CD1 3.68Å; R300-Y326 HydrophobicContact CB-CD2 3.96Å; R300-Y326 HydrophobicContact CB-CE1 3.6Å; R300-Y326 HydrophobicContact CB-CE2 3.88Å; R300-Y326 HydrophobicContact CB-CG 3.86Å; R300-Y326 HydrophobicContact CG-CD1 3.94Å; R300-Y326 HydrophobicContact CG-CE1 4.33Å; R300-Y326 HydrophobicContact CG-CG 4.04Å; R300-Y326 VanDerWaalsContact N-CZ 3.32Å; R300-Y326 PolarHBondContact N-OH 3.32Å
301E97.2Very high96.9Very high108 Ų10836.1 Ų36.151%0.50517%0.168SC..Hα-helixtrans-68-49.2-172.4-170.3-171.9-176.500111.3R241 G299 L304 S305R241-E301 IonicContact CZ-OE1 3.38Å; R241-E301 VanDerWaalsContact NH1-CD 3.26Å; R241-E301 IonicContact NH1-OE1 2.94Å; R241-E301 PolarHBondContact NH1-OE1 3.38Å; R241-E301 IonicContact NH1-OE2 3.96Å; R241-E301 IonicContact NH2-OE1 2.77Å; R241-E301 PolarHBondContact NH2-OE1 2.81Å; G299-E301 VanDerWaalsContact C-N 3.34Å; G299-E301 PolarHBondContact O-N 3.45Å; E301-L304 PolarHBondContact O-N 3.24Å; E301-S305 WeakPolarHBondContact O-CB 3.11Å; E301-S305 PolarHBondContact O-N 2.71Å
302L98.4Very high97.1Very high11 Ų1134 Ų346%0.05816%0.155CC..Hα-helixtrans-69.7-35.7179.9-59.5-173000111.3E274 E277 M278 L298 G299 L304 S305 V306E274-L302 HydrophobicContact CB-CD1 4.35Å; E274-L302 HydrophobicContact CB-CD2 3.97Å; E274-L302 HydrophobicContact CG-CD1 4.26Å; E274-L302 HydrophobicContact CG-CD2 3.86Å; E277-L302 HydrophobicContact CB-CD1 4.17Å; E277-L302 WeakPolarHBondContact OE2-CD1 3.25Å; M278-L302 HydrophobicContact CG-CB 4.17Å; M278-L302 HydrophobicContact CG-CD2 4.14Å; M278-L302 HydrophobicContact SD-CD2 3.91Å; L298-L302 HydrophobicContact CD1-CB 3.65Å; L298-L302 HydrophobicContact CD1-CD1 4.09Å; L298-L302 HydrophobicContact CD2-CB 4.44Å; L298-L302 HydrophobicContact CG-CB 3.73Å; G299-L302 PolarHBondContact O-N 3.18Å; L302-L304 PolarHBondContact O-N 2.78Å; L302-S305 WeakPolarHBondContact O-CB 3.47Å; L302-S305 PolarHBondContact O-N 3.2Å; L302-S305 VanDerWaalsContact O-N 3.16Å; L302-V306 WeakPolarHBondContact O-CG2 3.45Å; L302-V306 PolarHBondContact O-N 3.17Å
303A98.1Very high97.1Very high0 Ų034 Ų340%015%0.153CC..Hα-helixtrans-59.2-45.2172.600000112.5L295 L298 G299 S305 V306 E307 I322L295-A303 HydrophobicContact CD2-CB 3.66Å; L298-A303 HydrophobicContact CD2-CB 4.05Å; L298-A303 HydrophobicContact CG-CB 4.5Å; G299-A303 VanDerWaalsContact O-CB 3.29Å; G299-A303 WeakPolarHBondContact O-CB 3.33Å; G299-A303 PolarHBondContact O-N 3.02Å; A303-S305 VanDerWaalsContact C-N 3.32Å; A303-S305 PolarHBondContact O-N 3.39Å; A303-V306 PolarHBondContact O-N 2.73Å; A303-E307 WeakPolarHBondContact O-CB 3.17Å; A303-E307 PolarHBondContact O-N 2.77Å; A303-I322 HydrophobicContact CB-CG2 4.05Å
304L98.3Very high96.9Very high21 Ų2138.1 Ų38.111%0.1118%0.179CC..Hα-helixtrans-66.4-36.3174.7-69.3170.4000112.3R300 E301 L302 Y308 L319 I322 R323R300-L304 HydrophobicContact CG-CD1 4.08Å; R300-L304 VanDerWaalsContact O-CG 3.26Å; R300-L304 WeakPolarHBondContact O-CG 3.48Å; R300-L304 PolarHBondContact O-N 2.96Å; R300-L304 VanDerWaalsContact O-N 3.08Å; E301-L304 PolarHBondContact O-N 3.24Å; L302-L304 PolarHBondContact O-N 2.78Å; L304-Y308 WeakPolarHBondContact O-CB 3.2Å; L304-Y308 PolarHBondContact O-N 3.47Å; L304-L319 HydrophobicContact CD2-CB 4.36Å; L304-L319 HydrophobicContact CD2-CD2 4.48Å; L304-L319 WeakPolarHBondContact CD2-O 3.49Å; L304-I322 HydrophobicContact CD2-CB 3.86Å; L304-I322 HydrophobicContact CD2-CG2 3.87Å; L304-I322 HydrophobicContact CG-CG2 4.35Å; L304-R323 HydrophobicContact CD1-CG 4.01Å; L304-R323 HydrophobicContact CD2-CG 3.74Å; L304-R323 HydrophobicContact CG-CG 4.49Å
305S98.4Very high96.9Very high5 Ų541.8 Ų41.84%0.03519%0.19CC..Hα-helixtrans-63.4-45.2176.7-164.30000111.3R241 Q242 M278 E301 L302 A303 L309R241-S305 PolarHBondContact NE-OG 3.13Å; Q242-S305 VanDerWaalsContact CG-OG 3.28Å; Q242-S305 WeakPolarHBondContact CG-OG 3.16Å; Q242-S305 PolarHBondContact NE2-O 2.9Å; Q242-S305 VanDerWaalsContact NE2-O 3.11Å; M278-S305 WeakPolarHBondContact CE-OG 3.37Å; E301-S305 WeakPolarHBondContact O-CB 3.11Å; E301-S305 PolarHBondContact O-N 2.71Å; L302-S305 WeakPolarHBondContact O-CB 3.47Å; L302-S305 PolarHBondContact O-N 3.2Å; L302-S305 VanDerWaalsContact O-N 3.16Å; A303-S305 VanDerWaalsContact C-N 3.32Å; A303-S305 PolarHBondContact O-N 3.39Å; S305-L309 WeakPolarHBondContact O-CG 3.3Å; S305-L309 PolarHBondContact O-N 3.24Å
306V98.4Very high96.8Very high0 Ų050.3 Ų50.30%023%0.229CC..Hα-helixtrans-67.7-45.3176.3171.70000111.2M278 A281 L282 R285 W290 L298 L302 A303 Y308 L309M278-V306 HydrophobicContact CB-CG2 3.85Å; M278-V306 HydrophobicContact CE-CG2 3.96Å; M278-V306 HydrophobicContact CG-CG2 3.78Å; A281-V306 HydrophobicContact CB-CG2 4.14Å; L282-V306 HydrophobicContact CB-CG1 3.92Å; L282-V306 HydrophobicContact CD1-CG1 3.97Å; R285-V306 HydrophobicContact CB-CG1 4.24Å; W290-V306 HydrophobicContact CH2-CB 4.17Å; W290-V306 HydrophobicContact CH2-CG1 3.77Å; W290-V306 HydrophobicContact CZ2-CB 4.04Å; W290-V306 HydrophobicContact CZ2-CG1 3.65Å; L298-V306 HydrophobicContact CD2-CG2 4.2Å; L302-V306 WeakPolarHBondContact O-CG2 3.45Å; L302-V306 PolarHBondContact O-N 3.17Å; A303-V306 PolarHBondContact O-N 2.73Å; V306-Y308 VanDerWaalsContact C-N 3.25Å; V306-Y308 PolarHBondContact O-N 3.08Å; V306-L309 WeakPolarHBondContact O-CB 3.44Å; V306-L309 PolarHBondContact O-N 2.97Å
307E98.2Very high96.8Very high0 Ų050 Ų500%023%0.23CC..Hα-helixtrans-57.4-43177.7-172.372.9-174.900110.3R285 W290 A303 L309 L310 P317 N318 L319 I322R285-E307 IonicContact CZ-OE1 3.67Å; R285-E307 IonicContact CZ-OE2 3.39Å; R285-E307 IonicContact NE-OE1 3.86Å; R285-E307 IonicContact NE-OE2 2.73Å; R285-E307 PolarHBondContact NE-OE2 3.02Å; R285-E307 IonicContact NH2-OE1 2.65Å; R285-E307 PolarHBondContact NH2-OE1 3.08Å; R285-E307 VanDerWaalsContact NH2-OE1 3.1Å; R285-E307 IonicContact NH2-OE2 2.93Å; W290-E307 PolarHBondContact NE1-OE2 3.38Å; A303-E307 WeakPolarHBondContact O-CB 3.17Å; A303-E307 PolarHBondContact O-N 2.77Å; E307-L309 PolarHBondContact O-N 3.49Å; E307-L310 VanDerWaalsContact O-CB 3.29Å; E307-L310 WeakPolarHBondContact O-CB 3.45Å; E307-L310 VanDerWaalsContact O-CG 3.26Å; E307-L310 WeakPolarHBondContact O-CG 3.44Å; E307-L310 PolarHBondContact O-N 3.04Å; E307-L310 VanDerWaalsContact O-N 3.12Å; E307-P317 HydrophobicContact CG-CB 4.14Å; E307-P317 WeakPolarHBondContact O-CB 3.26Å; E307-N318 PolarHBondContact OE1-N 3.02Å; E307-L319 HydrophobicContact CB-CD2 3.89Å; E307-L319 HydrophobicContact CG-CD2 3.89Å; E307-I322 HydrophobicContact CB-CG1 3.92Å; E307-I322 HydrophobicContact CG-CD1 4.42Å; E307-I322 HydrophobicContact CG-CG1 3.56Å
308Y98.2Very high96.8Very high47 Ų4748.5 Ų48.518%0.18423%0.225CC..Hα-helixtrans-57.6-33.2176.2-173.9-81.7000113.1P235 P238 L304 V306 L310 Y311 Y312 L319P235-Y308 HydrophobicContact CG-CE1 4.18Å; P235-Y308 WeakPolarHBondContact CG-OH 3.21Å; P238-Y308 VanDerWaalsContact CD-CE1 3.49Å; P238-Y308 HydrophobicContact CG-CD1 4.17Å; P238-Y308 HydrophobicContact CG-CE1 3.4Å; P238-Y308 VanDerWaalsContact CG-CE1 3.4Å; P238-Y308 HydrophobicContact CG-CE2 4.2Å; P238-Y308 VanDerWaalsContact CG-CZ 3.42Å; P238-Y308 WeakPolarHBondContact CG-OH 3.47Å; L304-Y308 WeakPolarHBondContact O-CB 3.2Å; L304-Y308 PolarHBondContact O-N 3.47Å; V306-Y308 VanDerWaalsContact C-N 3.25Å; V306-Y308 PolarHBondContact O-N 3.08Å; Y308-L310 PolarHBondContact O-N 3.43Å; Y308-L310 VanDerWaalsContact O-N 3.13Å; Y308-Y311 HydrophobicContact CD1-CD2 4.34Å; Y308-Y311 HydrophobicContact CD2-CD2 4.26Å; Y308-Y311 HydrophobicContact CD2-CE2 4.13Å; Y308-Y311 HydrophobicContact CE1-CD2 4.15Å; Y308-Y311 HydrophobicContact CE2-CD2 4.09Å; Y308-Y311 AromaticContact CE2-CE2 3.89Å; Y308-Y311 HydrophobicContact CE2-CE2 3.89Å; Y308-Y311 HydrophobicContact CG-CD2 4.38Å; Y308-Y311 WeakPolarHBondContact O-CD2 3.29Å; Y308-Y311 PolarHBondContact O-N 2.98Å; Y308-Y312 HydrophobicContact CD1-CE2 4.39Å; Y308-Y312 HydrophobicContact CE1-CE2 4.21Å; Y308-L319 HydrophobicContact CD2-CD1 4.17Å
309L98.2Very high96.8Very high0 Ų050 Ų500%023%0.233CC..G310 helixtrans-66.4-13.4-178.8-65.1-178.4000113.2Q242 T245 L246 M278 L282 S305 V306 E307 Y311 Y312 F313Q242-L309 HydrophobicContact CB-CD2 3.72Å; Q242-L309 HydrophobicContact CG-CD2 3.76Å; Q242-L309 HydrophobicContact CG-CG 4.27Å; T245-L309 HydrophobicContact CG2-CD1 3.57Å; L246-L309 HydrophobicContact CD1-CD2 3.88Å; L246-L309 HydrophobicContact CD2-CB 4.38Å; L246-L309 HydrophobicContact CD2-CD1 4.37Å; L246-L309 HydrophobicContact CD2-CD2 3.98Å; L246-L309 HydrophobicContact CD2-CG 4.47Å; L246-L309 HydrophobicContact CG-CD1 4.4Å; L246-L309 HydrophobicContact CG-CD2 3.73Å; M278-L309 HydrophobicContact CE-CD1 3.97Å; L282-L309 HydrophobicContact CD1-CB 4Å; L282-L309 HydrophobicContact CD2-CB 4.06Å; L282-L309 HydrophobicContact CD2-CD1 3.74Å; S305-L309 WeakPolarHBondContact O-CG 3.3Å; S305-L309 PolarHBondContact O-N 3.24Å; V306-L309 WeakPolarHBondContact O-CB 3.44Å; V306-L309 PolarHBondContact O-N 2.97Å; E307-L309 PolarHBondContact O-N 3.49Å; L309-Y311 PolarHBondContact O-N 3.35Å; L309-Y312 HydrophobicContact CB-CD2 4.46Å; L309-Y312 HydrophobicContact CD2-CD2 3.99Å; L309-Y312 HydrophobicContact CD2-CE2 3.89Å; L309-Y312 WeakPolarHBondContact O-CD2 3.33Å; L309-Y312 PolarHBondContact O-N 3.46Å; L309-F313 WeakPolarHBondContact O-CD2 3.38Å
310L97.7Very high96.8Very high1 Ų152.1 Ų52.11%0.00525%0.249CC..G310 helixtrans-60.1-25175.5-65.3-175.9000113.5L282 R285 L286 E307 Y308 Y312 F313 R315 P317L282-L310 HydrophobicContact CD1-CD2 4.25Å; R285-L310 HydrophobicContact CG-CD1 4.2Å; R285-L310 HydrophobicContact CG-CD2 4.14Å; R285-L310 HydrophobicContact CG-CG 4.49Å; L286-L310 HydrophobicContact CD2-CD2 3.77Å; E307-L310 VanDerWaalsContact O-CB 3.29Å; E307-L310 WeakPolarHBondContact O-CB 3.45Å; E307-L310 VanDerWaalsContact O-CG 3.26Å; E307-L310 WeakPolarHBondContact O-CG 3.44Å; E307-L310 PolarHBondContact O-N 3.04Å; E307-L310 VanDerWaalsContact O-N 3.12Å; Y308-L310 PolarHBondContact O-N 3.43Å; Y308-L310 VanDerWaalsContact O-N 3.13Å; L310-Y312 PolarHBondContact O-N 2.94Å; L310-Y312 VanDerWaalsContact O-N 3.13Å; L310-F313 PolarHBondContact O-N 3.26Å; L310-R315 CarbonylContact C-O 3.52Å; L310-R315 HydrophobicContact CB-CB 3.86Å; L310-R315 HydrophobicContact CD2-CB 4.43Å; L310-R315 PolarHBondContact O-N 2.81Å; L310-R315 VanDerWaalsContact O-O 3.07Å; L310-P317 HydrophobicContact CB-CB 4.2Å
311Y96.4Very high96.8Very high103 Ų10350.5 Ų50.540%0.40425%0.245SC..G310 helixtrans-53.4-32.2172-80.2-56000112.9H233 P235 Y308 L309 F313 P317H233-Y311 VanDerWaalsContact O-O 3.07Å; P235-Y311 HydrophobicContact CG-CD2 4.18Å; P235-Y311 HydrophobicContact CG-CG 4.41Å; Y308-Y311 HydrophobicContact CD1-CD2 4.34Å; Y308-Y311 HydrophobicContact CD2-CD2 4.26Å; Y308-Y311 HydrophobicContact CD2-CE2 4.13Å; Y308-Y311 HydrophobicContact CE1-CD2 4.15Å; Y308-Y311 HydrophobicContact CE2-CD2 4.09Å; Y308-Y311 AromaticContact CE2-CE2 3.89Å; Y308-Y311 HydrophobicContact CE2-CE2 3.89Å; Y308-Y311 HydrophobicContact CG-CD2 4.38Å; Y308-Y311 WeakPolarHBondContact O-CD2 3.29Å; Y308-Y311 PolarHBondContact O-N 2.98Å; L309-Y311 PolarHBondContact O-N 3.35Å; Y311-F313 VanDerWaalsContact C-N 3.31Å; Y311-P317 HydrophobicContact CD1-CG 3.85Å; Y311-P317 HydrophobicContact CD2-CG 3.58Å; Y311-P317 HydrophobicContact CE1-CG 3.57Å; Y311-P317 HydrophobicContact CE2-CG 3.28Å; Y311-P317 HydrophobicContact CG-CG 3.84Å
312Y97.1Very high96.8Very high7 Ų745.4 Ų45.43%0.02722%0.221CC..G310 helixtrans-85.3-1.3-176.9-54.1-78.6000114.4L232 H233 P235 V237 L246 Y308 L309 L310L232-Y312 HydrophobicContact CB-CD1 4.13Å; H233-Y312 VanDerWaalsContact O-CA 3.29Å; H233-Y312 WeakPolarHBondContact O-CA 3.26Å; P235-Y312 WeakPolarHBondContact O-CE1 3.21Å; P235-Y312 PolarHBondContact O-OH 3Å; P235-Y312 VanDerWaalsContact O-OH 3.07Å; V237-Y312 WeakPolarHBondContact CA-OH 3.3Å; V237-Y312 HydrophobicContact CG2-CE1 4.16Å; L246-Y312 HydrophobicContact CD1-CD1 4.28Å; L246-Y312 HydrophobicContact CD1-CD2 3.64Å; L246-Y312 HydrophobicContact CD1-CE1 4.37Å; L246-Y312 HydrophobicContact CD1-CE2 3.78Å; L246-Y312 HydrophobicContact CD1-CG 3.91Å; L246-Y312 HydrophobicContact CD2-CD2 3.98Å; L246-Y312 HydrophobicContact CD2-CG 4.17Å; L246-Y312 HydrophobicContact CG-CD2 4.38Å; Y308-Y312 HydrophobicContact CD1-CE2 4.39Å; Y308-Y312 HydrophobicContact CE1-CE2 4.21Å; L309-Y312 HydrophobicContact CB-CD2 4.46Å; L309-Y312 HydrophobicContact CD2-CD2 3.99Å; L309-Y312 HydrophobicContact CD2-CE2 3.89Å; L309-Y312 WeakPolarHBondContact O-CD2 3.33Å; L309-Y312 PolarHBondContact O-N 3.46Å; L310-Y312 PolarHBondContact O-N 2.94Å; L310-Y312 VanDerWaalsContact O-N 3.13Å
313F96.1Very high96.7Very high46 Ų4650.8 Ų50.820%0.20224%0.241CC..G310 helixtrans-12732-178.4-60.3-85000111.4L246 I249 M250 L282 L286 L309 L310 Y311 R315L246-F313 HydrophobicContact CD2-CE2 3.72Å; L246-F313 HydrophobicContact CD2-CZ 4.05Å; I249-F313 HydrophobicContact CG2-CE1 4.3Å; I249-F313 HydrophobicContact CG2-CZ 4Å; M250-F313 HydrophobicContact CE-CE1 3.98Å; M250-F313 HydrophobicContact CE-CZ 4.26Å; L282-F313 HydrophobicContact CD1-CE2 4.44Å; L282-F313 HydrophobicContact CD2-CE2 3.74Å; L282-F313 HydrophobicContact CD2-CZ 4.15Å; L282-F313 HydrophobicContact CG-CE2 4.43Å; L286-F313 HydrophobicContact CD1-CD1 4.07Å; L286-F313 HydrophobicContact CD1-CD2 4.35Å; L286-F313 HydrophobicContact CD1-CE1 4.14Å; L286-F313 HydrophobicContact CD1-CE2 4.45Å; L286-F313 HydrophobicContact CD1-CG 4.18Å; L286-F313 HydrophobicContact CD1-CZ 4.34Å; L286-F313 HydrophobicContact CD2-CB 3.64Å; L286-F313 HydrophobicContact CD2-CD1 4.32Å; L286-F313 HydrophobicContact CD2-CD2 4.01Å; L286-F313 HydrophobicContact CD2-CG 3.73Å; L309-F313 WeakPolarHBondContact O-CD2 3.38Å; L310-F313 PolarHBondContact O-N 3.26Å; Y311-F313 VanDerWaalsContact C-N 3.31Å; F313-R315 WeakPolarHBondContact O-CG 3.43Å; F313-R315 PolarHBondContact O-N 3.44Å; F313-R315 VanDerWaalsContact O-N 3.15Å
314D92.9Very high96.7Very high141 Ų14155.1 Ų55.175%0.75426%0.264SS*.THydrogen-bonded Turntrans51.937179.6-59.4-51.8000113.5
315R94.8Very high96.5Very high111 Ų11156.7 Ų56.742%0.41927%0.272SS..  trans-121.7149.5177.7-73.5178.3-171.5-147.15110.8L286 L310 F313 P317L286-R315 VanDerWaalsContact C-NH1 3.27Å; L286-R315 PolarHBondContact O-NH1 3.44Å; L286-R315 PolarHBondContact O-NH2 3.17Å; L310-R315 CarbonylContact C-O 3.52Å; L310-R315 HydrophobicContact CB-CB 3.86Å; L310-R315 HydrophobicContact CD2-CB 4.43Å; L310-R315 PolarHBondContact O-N 2.81Å; L310-R315 VanDerWaalsContact O-O 3.07Å; F313-R315 WeakPolarHBondContact O-CG 3.43Å; F313-R315 PolarHBondContact O-N 3.44Å; F313-R315 VanDerWaalsContact O-N 3.15Å; R315-P317 VanDerWaalsContact O-CD 3.29Å; R315-P317 WeakPolarHBondContact O-CD 3.34Å
316E93.4Very high96.4Very high178 Ų17857.8 Ų57.883%0.83228%0.275SS*.  trans-88.6113.1178.1-167.5177.5178.900110.3
317P95.5Very high96.3Very high13 Ų1363.5 Ų63.58%0.08430%0.302CS..  trans-74.7135.6178.129.3-33.3000111.6E307 L310 Y311 R315E307-P317 HydrophobicContact CG-CB 4.14Å; E307-P317 WeakPolarHBondContact O-CB 3.26Å; L310-P317 HydrophobicContact CB-CB 4.2Å; Y311-P317 HydrophobicContact CD1-CG 3.85Å; Y311-P317 HydrophobicContact CD2-CG 3.58Å; Y311-P317 HydrophobicContact CE1-CG 3.57Å; Y311-P317 HydrophobicContact CE2-CG 3.28Å; Y311-P317 HydrophobicContact CG-CG 3.84Å; R315-P317 VanDerWaalsContact O-CD 3.29Å; R315-P317 WeakPolarHBondContact O-CD 3.34Å
318N96.1Very high96.2Very high77 Ų7771.1 Ų71.141%0.41234%0.335SS..  trans-11171.6176.6-164-26.1000112E307 A320 K321 I322E307-N318 PolarHBondContact OE1-N 3.02Å; N318-A320 PolarHBondContact O-N 3.13Å; N318-K321 HydrophobicContact CB-CB 3.91Å; N318-K321 HydrophobicContact CB-CD 4.48Å; N318-K321 WeakPolarHBondContact O-CB 3.44Å; N318-K321 PolarHBondContact O-N 3.46Å; N318-K321 VanDerWaalsContact O-N 3.13Å; N318-K321 WeakPolarHBondContact OD1-CB 3.49Å; N318-K321 PolarHBondContact OD1-N 3.44Å; N318-I322 WeakPolarHBondContact O-CG1 3.45Å; N318-I322 PolarHBondContact O-N 3.43Å; N318-I322 VanDerWaalsContact O-N 3.08Å
319L96.9Very high96.1Very high50 Ų5069.2 Ų69.226%0.26233%0.328SS..Hα-helixtrans-57.7-33.3-178.1-55.3-178.9000112.9L304 E307 Y308 I322 R323L304-L319 HydrophobicContact CD2-CB 4.36Å; L304-L319 HydrophobicContact CD2-CD2 4.48Å; L304-L319 WeakPolarHBondContact CD2-O 3.49Å; E307-L319 HydrophobicContact CB-CD2 3.89Å; E307-L319 HydrophobicContact CG-CD2 3.89Å; Y308-L319 HydrophobicContact CD2-CD1 4.17Å; L319-I322 PolarHBondContact O-N 2.9Å; L319-R323 VanDerWaalsContact O-CG 3.3Å; L319-R323 WeakPolarHBondContact O-CG 3.2Å; L319-R323 PolarHBondContact O-N 2.99Å
320A97Very high96Very high61 Ų6172.3 Ų72.350%0.50435%0.348SS..Hα-helixtrans-68.4-44.9178.200000111.5N318 I322 R323 L324N318-A320 PolarHBondContact O-N 3.13Å; A320-I322 VanDerWaalsContact C-N 3.32Å; A320-I322 PolarHBondContact O-N 2.74Å; A320-R323 PolarHBondContact O-N 2.72Å; A320-L324 WeakPolarHBondContact O-CG 3.5Å; A320-L324 PolarHBondContact O-N 3.29Å
321K96.2Very high95.9Very high80 Ų8072.3 Ų72.335%0.34835%0.349SS..Hα-helixtrans-57.1-45.9172.9179.1-174.3176.1-171.60110.7E289 N318 R323 L324 L325E289-K321 IonicContact OE2-NZ 3.96Å; E289-K321 PolarHBondContact OE2-NZ 3.16Å; N318-K321 HydrophobicContact CB-CB 3.91Å; N318-K321 HydrophobicContact CB-CD 4.48Å; N318-K321 WeakPolarHBondContact O-CB 3.44Å; N318-K321 PolarHBondContact O-N 3.46Å; N318-K321 VanDerWaalsContact O-N 3.13Å; N318-K321 WeakPolarHBondContact OD1-CB 3.49Å; N318-K321 PolarHBondContact OD1-N 3.44Å; K321-R323 PolarHBondContact O-N 3.46Å; K321-L324 PolarHBondContact O-N 2.99Å; K321-L325 HydrophobicContact CD-CD1 4.49Å; K321-L325 HydrophobicContact CG-CD1 3.96Å; K321-L325 HydrophobicContact CG-CG 4.21Å; K321-L325 WeakPolarHBondContact O-CB 3.46Å; K321-L325 WeakPolarHBondContact O-CG 3.41Å; K321-L325 PolarHBondContact O-N 3.34Å
322I97.1Very high95.8Very high2 Ų272.5 Ų72.51%0.0135%0.349CS..Hα-helixtrans-64.8-39.7179.9-55.4-42000111.7W290 L295 A303 L304 E307 N318 L319 A320 L324 L325 Y326W290-I322 HydrophobicContact CG-CD1 4.19Å; L295-I322 HydrophobicContact CD2-CG2 3.98Å; A303-I322 HydrophobicContact CB-CG2 4.05Å; L304-I322 HydrophobicContact CD2-CB 3.86Å; L304-I322 HydrophobicContact CD2-CG2 3.87Å; L304-I322 HydrophobicContact CG-CG2 4.35Å; E307-I322 HydrophobicContact CB-CG1 3.92Å; E307-I322 HydrophobicContact CG-CD1 4.42Å; E307-I322 HydrophobicContact CG-CG1 3.56Å; N318-I322 WeakPolarHBondContact O-CG1 3.45Å; N318-I322 PolarHBondContact O-N 3.43Å; N318-I322 VanDerWaalsContact O-N 3.08Å; L319-I322 PolarHBondContact O-N 2.9Å; A320-I322 VanDerWaalsContact C-N 3.32Å; A320-I322 PolarHBondContact O-N 2.74Å; I322-L324 VanDerWaalsContact C-N 3.31Å; I322-L324 PolarHBondContact O-N 3.07Å; I322-L325 HydrophobicContact CD1-CD1 4.32Å; I322-Y326 WeakPolarHBondContact O-CB 3.28Å; I322-Y326 PolarHBondContact O-N 3.28Å
323R96.9Very high95.7Very high124 Ų12474.1 Ų74.147%0.46836%0.362SS..Hα-helixtrans-59.2-43.5173.4-73.4173.8-170-117.5-1.7111.8L304 L319 A320 K321 Q327L304-R323 HydrophobicContact CD1-CG 4.01Å; L304-R323 HydrophobicContact CD2-CG 3.74Å; L304-R323 HydrophobicContact CG-CG 4.49Å; L319-R323 VanDerWaalsContact O-CG 3.3Å; L319-R323 WeakPolarHBondContact O-CG 3.2Å; L319-R323 PolarHBondContact O-N 2.99Å; A320-R323 PolarHBondContact O-N 2.72Å; K321-R323 PolarHBondContact O-N 3.46Å; R323-Q327 VanDerWaalsContact O-CB 3.26Å; R323-Q327 WeakPolarHBondContact O-CB 3.16Å; R323-Q327 PolarHBondContact O-N 2.88Å
324L96.4Very high95.6Very high91 Ų9175.1 Ų75.148%0.47637%0.369SS..Hα-helixtrans-68.6-50.7179.2-70.9171000111.6A320 K321 I322 Y326 Q327 F328A320-L324 WeakPolarHBondContact O-CG 3.5Å; A320-L324 PolarHBondContact O-N 3.29Å; K321-L324 PolarHBondContact O-N 2.99Å; I322-L324 VanDerWaalsContact C-N 3.31Å; I322-L324 PolarHBondContact O-N 3.07Å; L324-Y326 VanDerWaalsContact C-N 3.28Å; L324-Y326 PolarHBondContact O-N 3.31Å; L324-Q327 WeakPolarHBondContact O-CB 3.17Å; L324-Q327 PolarHBondContact O-N 3.12Å; L324-F328 HydrophobicContact CD2-CE2 4.17Å; L324-F328 WeakPolarHBondContact O-CD2 3.39Å; L324-F328 PolarHBondContact O-N 3.18Å
325L94.9Very high95.6Very high54 Ų5476.7 Ų76.728%0.28337%0.369SS..Hα-helixtrans-53.9-47177.7-72.9177.2000111.1L295 K321 I322 F328 L329L295-L325 HydrophobicContact CD1-CB 3.83Å; L295-L325 HydrophobicContact CD1-CD1 4.07Å; K321-L325 HydrophobicContact CD-CD1 4.49Å; K321-L325 HydrophobicContact CG-CD1 3.96Å; K321-L325 HydrophobicContact CG-CG 4.21Å; K321-L325 WeakPolarHBondContact O-CB 3.46Å; K321-L325 WeakPolarHBondContact O-CG 3.41Å; K321-L325 PolarHBondContact O-N 3.34Å; I322-L325 HydrophobicContact CD1-CD1 4.32Å; L325-F328 PolarHBondContact O-N 2.86Å; L325-L329 PolarHBondContact O-N 3.22Å
326Y96.2Very high95.6Very high28 Ų2874.7 Ų74.711%0.1137%0.367CS..Hα-helixtrans-64.7-41.8177.5-162.7-81000112.3L295 R300 I322 L324 F328 L329 Y332L295-Y326 WeakPolarHBondContact O-CE2 3.39Å; R300-Y326 HydrophobicContact CB-CD1 3.68Å; R300-Y326 HydrophobicContact CB-CD2 3.96Å; R300-Y326 HydrophobicContact CB-CE1 3.6Å; R300-Y326 HydrophobicContact CB-CE2 3.88Å; R300-Y326 HydrophobicContact CB-CG 3.86Å; R300-Y326 HydrophobicContact CG-CD1 3.94Å; R300-Y326 HydrophobicContact CG-CE1 4.33Å; R300-Y326 HydrophobicContact CG-CG 4.04Å; R300-Y326 VanDerWaalsContact N-CZ 3.32Å; R300-Y326 PolarHBondContact N-OH 3.32Å; I322-Y326 WeakPolarHBondContact O-CB 3.28Å; I322-Y326 PolarHBondContact O-N 3.28Å; L324-Y326 VanDerWaalsContact C-N 3.28Å; L324-Y326 PolarHBondContact O-N 3.31Å; Y326-F328 PolarHBondContact O-N 2.91Å; Y326-L329 HydrophobicContact CD1-CD1 4.41Å; Y326-L329 HydrophobicContact CD2-CD1 3.69Å; Y326-L329 HydrophobicContact CE2-CD1 3.83Å; Y326-L329 HydrophobicContact CG-CD1 4.01Å; Y326-L329 WeakPolarHBondContact O-CB 3.37Å; Y326-L329 WeakPolarHBondContact O-CG 3.25Å; Y326-L329 PolarHBondContact O-N 3Å; Y326-Y332 HydrophobicContact CD1-CD1 4.14Å; Y326-Y332 AromaticContact CD1-CE1 3.74Å; Y326-Y332 HydrophobicContact CD1-CE1 3.74Å; Y326-Y332 AromaticContact CE1-CD1 3.42Å; Y326-Y332 HydrophobicContact CE1-CD1 3.42Å; Y326-Y332 VanDerWaalsContact CE1-CD1 3.42Å; Y326-Y332 AromaticContact CE1-CE1 3.49Å; Y326-Y332 HydrophobicContact CE1-CE1 3.49Å; Y326-Y332 VanDerWaalsContact CE1-CE1 3.49Å; Y326-Y332 WeakPolarHBondContact O-CE1 3.33Å
327Q96.1Very high95.7Very high120 Ų12066.2 Ų66.256%0.56133%0.327SS*.Hα-helixtrans-63.5-28.4178.8178.6178.60.500113.2R323 L324 Y332R323-Q327 VanDerWaalsContact O-CB 3.26Å; R323-Q327 WeakPolarHBondContact O-CB 3.16Å; R323-Q327 PolarHBondContact O-N 2.88Å; L324-Q327 WeakPolarHBondContact O-CB 3.17Å; L324-Q327 PolarHBondContact O-N 3.12Å; Q327-Y332 PolarHBondContact O-OH 3.32Å
328F95.7Very high95.7Very high159 Ų15967 Ų6770%0.69733%0.334SS*.THydrogen-bonded Turntrans-93.57.2178.1-72.4-68.2000113.5L324 L325 Y326L324-F328 HydrophobicContact CD2-CE2 4.17Å; L324-F328 WeakPolarHBondContact O-CD2 3.39Å; L324-F328 PolarHBondContact O-N 3.18Å; L325-F328 PolarHBondContact O-N 2.86Å; Y326-F328 PolarHBondContact O-N 2.91Å
329L96.6Very high95.6Very high7 Ų763.4 Ų63.44%0.03732%0.315CS..  trans-60.2134.8170.4-71.2175.4000110.1N292 Y296 L325 Y326 I331 Y332 V368N292-L329 HydrophobicContact CB-CD2 3.69Å; Y296-L329 HydrophobicContact CD2-CD1 4.45Å; L325-L329 PolarHBondContact O-N 3.22Å; Y326-L329 HydrophobicContact CD1-CD1 4.41Å; Y326-L329 HydrophobicContact CD2-CD1 3.69Å; Y326-L329 HydrophobicContact CE2-CD1 3.83Å; Y326-L329 HydrophobicContact CG-CD1 4.01Å; Y326-L329 WeakPolarHBondContact O-CB 3.37Å; Y326-L329 WeakPolarHBondContact O-CG 3.25Å; Y326-L329 PolarHBondContact O-N 3Å; L329-I331 VanDerWaalsContact C-N 3.25Å; L329-I331 PolarHBondContact O-N 3.26Å; L329-Y332 HydrophobicContact CB-CE1 4.37Å; L329-V368 HydrophobicContact CD2-CG1 4.32Å
330P96Very high95.3Very high65 Ų6565.5 Ų65.542%0.42232%0.322SS..SBendtrans-63.1-29.5-178-3040.5000114.3V367P330-V367 HydrophobicContact CB-CG1 3.97Å; P330-V367 WeakPolarHBondContact CB-O 3.42Å; P330-V367 VanDerWaalsContact CG-O 3.25Å; P330-V367 WeakPolarHBondContact CG-O 3.41Å
331I96.2Very high94.9Very high2 Ų263.5 Ų63.51%0.0131%0.307CS..  trans-145160.8177.357.6174.6000110.5Y296 L329 D336 L337 E364 V367 V368 N374Y296-I331 WeakPolarHBondContact CD2-O 3.41Å; Y296-I331 HydrophobicContact CE2-CG1 4.15Å; Y296-I331 WeakPolarHBondContact CE2-O 3.39Å; L329-I331 VanDerWaalsContact C-N 3.25Å; L329-I331 PolarHBondContact O-N 3.26Å; I331-D336 HydrophobicContact CB-CB 3.85Å; I331-D336 HydrophobicContact CG2-CB 3.79Å; I331-L337 HydrophobicContact CD1-CD1 4.26Å; I331-E364 HydrophobicContact CD1-CG 4.09Å; I331-V367 HydrophobicContact CD1-CB 4.28Å; I331-V367 HydrophobicContact CD1-CG1 3.88Å; I331-V367 HydrophobicContact CG1-CG1 3.99Å; I331-V367 HydrophobicContact CG2-CG1 4.02Å; I331-V368 HydrophobicContact CD1-CG2 3.88Å; I331-V368 HydrophobicContact CG1-CG2 3.51Å; I331-N374 HydrophobicContact CG2-CB 4.47Å; I331-N374 WeakPolarHBondContact CG2-ND2 3.45Å
332Y94.7Very high94.6Very high107 Ų10765.4 Ų65.442%0.4232%0.321SS..SBendtrans-119.3-10.1-178.5-61.3-77000114Y326 Q327 L329 D336Y326-Y332 HydrophobicContact CD1-CD1 4.14Å; Y326-Y332 AromaticContact CD1-CE1 3.74Å; Y326-Y332 HydrophobicContact CD1-CE1 3.74Å; Y326-Y332 AromaticContact CE1-CD1 3.42Å; Y326-Y332 HydrophobicContact CE1-CD1 3.42Å; Y326-Y332 VanDerWaalsContact CE1-CD1 3.42Å; Y326-Y332 AromaticContact CE1-CE1 3.49Å; Y326-Y332 HydrophobicContact CE1-CE1 3.49Å; Y326-Y332 VanDerWaalsContact CE1-CE1 3.49Å; Y326-Y332 WeakPolarHBondContact O-CE1 3.33Å; Q327-Y332 PolarHBondContact O-OH 3.32Å; L329-Y332 HydrophobicContact CB-CE1 4.37Å; Y332-D336 WeakPolarHBondContact CA-OD2 3.31Å; Y332-D336 PolarHBondContact N-OD2 3.39Å
333S94.3Very high94.2Very high41 Ų4168.4 Ų68.429%0.28734%0.335SS..SBendtrans-157.9159.9172.967.60000109.9Y296 K335 D336Y296-S333 WeakPolarHBondContact OH-CA 3.34Å; Y296-S333 PolarHBondContact OH-N 3.36Å; S333-K335 PolarHBondContact O-N 3.29Å; S333-K335 PolarHBondContact OG-N 3Å; S333-D336 PolarHBondContact N-OD2 3.47Å; S333-D336 WeakPolarHBondContact O-CB 3.42Å; S333-D336 PolarHBondContact O-N 3.25Å; S333-D336 PolarHBondContact OG-OD2 2.48Å
334L93.1Very high93.8Very high66 Ų6662.5 Ų62.535%0.34631%0.313SS..G310 helixtrans-52.4-26.7171.6-175.162000112.7Y296 D336 L337 L360 E364Y296-L334 PolarHBondContact OH-N 2.75Å; L334-D336 PolarHBondContact O-N 3.15Å; L334-L337 HydrophobicContact CD1-CD2 4.31Å; L334-L337 VanDerWaalsContact O-CB 3.29Å; L334-L337 WeakPolarHBondContact O-CB 3.23Å; L334-L337 PolarHBondContact O-N 3.43Å; L334-L360 HydrophobicContact CD1-CB 4.27Å; L334-E364 WeakPolarHBondContact CA-OE1 3.26Å; L334-E364 WeakPolarHBondContact CB-OE1 3.29Å; L334-E364 HydrophobicContact CD1-CB 3.81Å; L334-E364 HydrophobicContact CD1-CG 4.05Å; L334-E364 PolarHBondContact N-OE1 3.04Å
335K93.5Very high93.4Very high175 Ų17563.1 Ų63.176%0.76131%0.312SS*.G310 helixtrans-69-18.9177.8-61.9179.9-177.4174.60113.2S333 L337 K340S333-K335 PolarHBondContact O-N 3.29Å; S333-K335 PolarHBondContact OG-N 3Å; K335-L337 VanDerWaalsContact C-N 3.33Å; K335-K340 PolarHBondContact O-NZ 3.41Å
336D95.6Very high93.1Very high69 Ų6966.8 Ų66.837%0.36933%0.332SS..G310 helixtrans-86.2-10178.7-53.6-36.9000111.9I331 Y332 S333 L334 A338 N374I331-D336 HydrophobicContact CB-CB 3.85Å; I331-D336 HydrophobicContact CG2-CB 3.79Å; Y332-D336 WeakPolarHBondContact CA-OD2 3.31Å; Y332-D336 PolarHBondContact N-OD2 3.39Å; S333-D336 PolarHBondContact N-OD2 3.47Å; S333-D336 WeakPolarHBondContact O-CB 3.42Å; S333-D336 PolarHBondContact O-N 3.25Å; S333-D336 PolarHBondContact OG-OD2 2.48Å; L334-D336 PolarHBondContact O-N 3.15Å; D336-A338 PolarHBondContact O-N 3.33Å; D336-N374 PolarHBondContact O-ND2 3.06Å
337L95.4Very high92.8Very high0 Ų070.5 Ų70.50%035%0.35CS..  trans-60.5130.3174-162.572.1000110I331 L334 K335 L339 K340 L360 L363 V367 N374 L379I331-L337 HydrophobicContact CD1-CD1 4.26Å; L334-L337 HydrophobicContact CD1-CD2 4.31Å; L334-L337 VanDerWaalsContact O-CB 3.29Å; L334-L337 WeakPolarHBondContact O-CB 3.23Å; L334-L337 PolarHBondContact O-N 3.43Å; K335-L337 VanDerWaalsContact C-N 3.33Å; L337-L339 PolarHBondContact O-N 2.86Å; L337-K340 PolarHBondContact O-NZ 3.32Å; L337-L360 HydrophobicContact CD2-CD2 3.99Å; L337-L363 HydrophobicContact CD2-CB 3.99Å; L337-L363 HydrophobicContact CD2-CD1 4.42Å; L337-V367 HydrophobicContact CD1-CB 4.27Å; L337-V367 HydrophobicContact CD1-CG2 3.81Å; L337-N374 WeakPolarHBondContact CA-OD1 3.2Å; L337-L379 HydrophobicContact CD1-CD1 4.14Å; L337-L379 HydrophobicContact CD1-CD2 4.04Å; L337-L379 HydrophobicContact CG-CD1 4.08Å
338A95.5Very high92.4Very high28 Ų2865.8 Ų65.823%0.23133%0.327CS..SBendtrans-66.6-23.4-175.100000112.7D336 N374 K376 L379D336-A338 PolarHBondContact O-N 3.33Å; A338-N374 WeakPolarHBondContact CB-O 3.48Å; A338-N374 WeakPolarHBondContact CB-OD1 3.37Å; A338-N374 PolarHBondContact N-OD1 3.34Å; A338-K376 HydrophobicContact CB-CG 4.15Å; A338-K376 WeakPolarHBondContact O-CE 3.24Å; A338-K376 WeakPolarHBondContact O-CG 3.42Å; A338-L379 HydrophobicContact CB-CD1 3.92Å
339L92.6Very high91.8Very high3 Ų366.2 Ų66.22%0.01634%0.337CS..SBendtrans-102.8127.3177.2-171.966.1000110.5L337 E343 V344 L363 L379 L380L337-L339 PolarHBondContact O-N 2.86Å; L339-E343 HydrophobicContact CD1-CB 3.76Å; L339-V344 HydrophobicContact CD2-CG2 3.59Å; L339-V344 HydrophobicContact CG-CG2 3.76Å; L339-L363 HydrophobicContact CD2-CD1 4.05Å; L339-L379 HydrophobicContact CB-CB 4Å; L339-L379 HydrophobicContact CB-CD1 3.59Å; L339-L379 HydrophobicContact CB-CG 4.44Å; L339-L379 HydrophobicContact CD2-CB 3.85Å; L339-L380 HydrophobicContact CD1-CD1 4.5Å; L339-L380 HydrophobicContact CD1-CD2 3.86Å; L339-L380 HydrophobicContact CD1-CG 3.98Å; L339-L380 HydrophobicContact CD2-CD2 3.82Å; L339-L380 HydrophobicContact CD2-CG 4.05Å
340K92.2Very high91.2Very high93 Ų9369.5 Ų69.540%0.40435%0.35SS..  trans-99.1157.2179.6-52.5-52.7-179.7-164.30111.8K335 L337 N342 E343 V344K335-K340 PolarHBondContact O-NZ 3.41Å; L337-K340 PolarHBondContact O-NZ 3.32Å; K340-N342 VanDerWaalsContact C-N 3.27Å; K340-N342 PolarHBondContact O-N 3.23Å; K340-E343 HydrophobicContact CB-CG 4.4Å; K340-E343 WeakPolarHBondContact CB-OE2 3Å; K340-E343 PolarHBondContact N-OE2 2.93Å; K340-E343 WeakPolarHBondContact O-CB 3.37Å; K340-E343 PolarHBondContact O-N 3.29Å; K340-V344 PolarHBondContact O-N 2.94Å
341G87.3Confident90.5Very high19 Ų1971.4 Ų71.420%0.19636%0.362CS..Hα-helixtrans-58.5-33.3-179.200000115.1E343 V344 K345G341-E343 VanDerWaalsContact C-N 3.35Å; G341-V344 PolarHBondContact O-N 2.93Å; G341-K345 WeakPolarHBondContact O-CB 3.48Å; G341-K345 PolarHBondContact O-N 3.07Å
342N89.6Confident89.6Confident121 Ų12182.8 Ų82.865%0.64741%0.405SS*.Hα-helixtrans-66.8-38.6174.4-67.3-12.4000111.5K340 K345 D346K340-N342 VanDerWaalsContact C-N 3.27Å; K340-N342 PolarHBondContact O-N 3.23Å; N342-K345 PolarHBondContact O-N 3.4Å; N342-D346 WeakPolarHBondContact O-CB 3.48Å; N342-D346 PolarHBondContact O-N 2.95Å
343E89.9Confident88.9Confident65 Ų6579.5 Ų79.530%0.30440%0.403SS..Hα-helixtrans-68.3-39.6178.2-59.7174.3115.800111.2L339 K340 G341 D346 H347 K376L339-E343 HydrophobicContact CD1-CB 3.76Å; K340-E343 HydrophobicContact CB-CG 4.4Å; K340-E343 WeakPolarHBondContact CB-OE2 3Å; K340-E343 PolarHBondContact N-OE2 2.93Å; K340-E343 WeakPolarHBondContact O-CB 3.37Å; K340-E343 PolarHBondContact O-N 3.29Å; G341-E343 VanDerWaalsContact C-N 3.35Å; E343-D346 PolarHBondContact O-N 2.85Å; E343-H347 VanDerWaalsContact O-CB 3.26Å; E343-H347 WeakPolarHBondContact O-CB 3.4Å; E343-H347 PolarHBondContact O-N 2.65Å; E343-K376 WeakPolarHBondContact OE1-CE 3.32Å; E343-K376 IonicContact OE1-NZ 3.25Å; E343-K376 PolarHBondContact OE1-NZ 3.21Å; E343-K376 IonicContact OE2-NZ 3.72Å
344V89.1Confident88.6Confident0 Ų082.1 Ų82.10%042%0.42CS..Hα-helixtrans-58.9-48.7171.8175.40000110.5L339 K340 G341 D346 H347 F348 W355 L360L339-V344 HydrophobicContact CD2-CG2 3.59Å; L339-V344 HydrophobicContact CG-CG2 3.76Å; K340-V344 PolarHBondContact O-N 2.94Å; G341-V344 PolarHBondContact O-N 2.93Å; V344-D346 PolarHBondContact O-N 3.39Å; V344-H347 PolarHBondContact O-N 3Å; V344-F348 HydrophobicContact CG1-CD2 3.97Å; V344-F348 HydrophobicContact CG1-CE2 4.41Å; V344-F348 VanDerWaalsContact O-CD2 3.3Å; V344-F348 WeakPolarHBondContact O-CD2 3.33Å; V344-F348 PolarHBondContact O-N 3.26Å; V344-W355 HydrophobicContact CG1-CH2 4.23Å; V344-W355 HydrophobicContact CG1-CZ3 3.61Å; V344-L360 HydrophobicContact CG2-CD2 4.1Å
345K87.7Confident88.5Confident104 Ų10480 Ų8045%0.45241%0.407SS..Hα-helixtrans-62.5-41.1-180-178.1-169.6164-1510112.8G341 N342 H347 F348 I356G341-K345 WeakPolarHBondContact O-CB 3.48Å; G341-K345 PolarHBondContact O-N 3.07Å; N342-K345 PolarHBondContact O-N 3.4Å; K345-H347 VanDerWaalsContact C-N 3.27Å; K345-F348 VanDerWaalsContact O-O 3.13Å; K345-I356 HydrophobicContact CB-CD1 3.88Å; K345-I356 HydrophobicContact CD-CD1 4.31Å; K345-I356 HydrophobicContact CG-CD1 4.03Å
346D87.8Confident88.3Confident131 Ų13173.6 Ų73.670%0.70138%0.381SS*.Hα-helixtrans-75.4-22-177.8-64.9-17.6000111.6N342 E343 V344N342-D346 WeakPolarHBondContact O-CB 3.48Å; N342-D346 PolarHBondContact O-N 2.95Å; E343-D346 PolarHBondContact O-N 2.85Å; V344-D346 PolarHBondContact O-N 3.39Å
347H89.6Confident88.1Confident106 Ų10673.5 Ų73.549%0.49139%0.385SS..Hα-helixtrans-85.7-38.2178.1-162.784000113.4E343 V344 K345 L380E343-H347 VanDerWaalsContact O-CB 3.26Å; E343-H347 WeakPolarHBondContact O-CB 3.4Å; E343-H347 PolarHBondContact O-N 2.65Å; V344-H347 PolarHBondContact O-N 3Å; K345-H347 VanDerWaalsContact C-N 3.27Å; H347-L380 HydrophobicContact CB-CD2 4.09Å
348F87.6Confident88Confident20 Ų2077.8 Ų77.89%0.08841%0.407CS..SBendtrans-110.4120.6-176.5-59.3-74.6000111.9V344 K345 Y350 W355 L380 A383 E384 L387V344-F348 HydrophobicContact CG1-CD2 3.97Å; V344-F348 HydrophobicContact CG1-CE2 4.41Å; V344-F348 VanDerWaalsContact O-CD2 3.3Å; V344-F348 WeakPolarHBondContact O-CD2 3.33Å; V344-F348 PolarHBondContact O-N 3.26Å; K345-F348 VanDerWaalsContact O-O 3.13Å; F348-Y350 HydrophobicContact CB-CD2 3.9Å; F348-Y350 HydrophobicContact CB-CE2 4.18Å; F348-Y350 PolarHBondContact O-N 2.85Å; F348-Y350 VanDerWaalsContact O-N 3.1Å; F348-W355 HydrophobicContact CB-CH2 3.95Å; F348-W355 HydrophobicContact CB-CZ3 4.19Å; F348-L380 HydrophobicContact CE2-CD2 4.09Å; F348-L380 HydrophobicContact CZ-CD2 4.47Å; F348-A383 HydrophobicContact CE2-CB 3.73Å; F348-A383 HydrophobicContact CZ-CB 3.87Å; F348-E384 HydrophobicContact CE1-CB 3.71Å; F348-E384 HydrophobicContact CE1-CG 4.04Å; F348-E384 HydrophobicContact CZ-CB 3.96Å; F348-L387 HydrophobicContact CB-CD1 4.27Å; F348-L387 HydrophobicContact CD1-CD1 4.16Å; F348-L387 HydrophobicContact CD2-CD1 3.9Å; F348-L387 HydrophobicContact CE2-CD1 4.27Å; F348-L387 HydrophobicContact CG-CD1 3.85Å
349D84.4Confident87.9Confident169 Ų16976.5 Ų76.590%0.90440%0.396SS*.  trans-87.370.5-177.6-168.522.1000112.4
350Y83.6Confident88Confident75 Ų7577.4 Ų77.429%0.29440%0.4SS..  trans-109150.3173.1-70.6-72.1000112.2F348 W355 L387 M391F348-Y350 HydrophobicContact CB-CD2 3.9Å; F348-Y350 HydrophobicContact CB-CE2 4.18Å; F348-Y350 PolarHBondContact O-N 2.85Å; F348-Y350 VanDerWaalsContact O-N 3.1Å; Y350-W355 HydrophobicContact CD2-CH2 4.49Å; Y350-L387 HydrophobicContact CD2-CD1 4.3Å; Y350-L387 HydrophobicContact CE2-CB 4.05Å; Y350-L387 HydrophobicContact CE2-CD1 3.99Å; Y350-L387 HydrophobicContact CE2-CG 4.44Å; Y350-M391 HydrophobicContact CD1-CE 3.17Å; Y350-M391 HydrophobicContact CD1-SD 3.37Å; Y350-M391 WeakPolarHBondContact CD1-SD 3.26Å; Y350-M391 HydrophobicContact CD2-SD 3.9Å; Y350-M391 HydrophobicContact CE1-CB 4.26Å; Y350-M391 HydrophobicContact CE1-CE 3.56Å; Y350-M391 HydrophobicContact CE1-CG 4.44Å; Y350-M391 HydrophobicContact CE1-SD 3.4Å; Y350-M391 WeakPolarHBondContact CE1-SD 3.39Å; Y350-M391 HydrophobicContact CE2-SD 3.95Å; Y350-M391 HydrophobicContact CG-CE 3.77Å; Y350-M391 HydrophobicContact CG-SD 3.61Å
351P80.9Confident88.1Confident105 Ų10576.4 Ų76.468%0.68240%0.4SS*.  trans-54.2152.1173.5-23.132.5000112G353 W355P351-G353 PolarHBondContact O-N 3.32Å; P351-W355 PolarHBondContact O-NE1 2.86Å
352R77.7Confident88.5Confident241 Ų24178.4 Ų78.491%0.90940%0.403SS*.SBendtrans-55.9128.1177.1-71.4-173.9-177-177.11.4110.6
353G80.4Confident88.9Confident38 Ų3872.7 Ų72.739%0.39237%0.372SS..SBendtrans-170.5-179.317900000112.8P351 W355P351-G353 PolarHBondContact O-N 3.32Å; G353-W355 PolarHBondContact O-N 3.48Å
354P87.6Confident89.2Confident97 Ų9770.4 Ų70.463%0.6336%0.362SS*.THydrogen-bonded Turntrans-69-8.6178.730.3-35.6000113.3I356 S357 M358P354-I356 VanDerWaalsContact C-N 3.26Å; P354-I356 PolarHBondContact O-N 2.63Å; P354-S357 PolarHBondContact O-N 2.97Å; P354-M358 HydrophobicContact CB-SD 4.4Å; P354-M358 HydrophobicContact CG-SD 4.35Å; P354-M358 PolarHBondContact O-N 3.24Å
355W90.1Very high89.6Confident22 Ų2273.5 Ų73.58%0.08338%0.376CS..Hα-helixtrans-52.8-40-175.868.5-99.9000112.7V344 F348 Y350 P351 G353 S357 M358 T359 L387V344-W355 HydrophobicContact CG1-CH2 4.23Å; V344-W355 HydrophobicContact CG1-CZ3 3.61Å; F348-W355 HydrophobicContact CB-CH2 3.95Å; F348-W355 HydrophobicContact CB-CZ3 4.19Å; Y350-W355 HydrophobicContact CD2-CH2 4.49Å; P351-W355 PolarHBondContact O-NE1 2.86Å; G353-W355 PolarHBondContact O-N 3.48Å; W355-S357 VanDerWaalsContact C-N 3.32Å; W355-S357 PolarHBondContact O-N 2.85Å; W355-M358 PolarHBondContact O-N 2.93Å; W355-M358 VanDerWaalsContact O-N 3.13Å; W355-T359 WeakPolarHBondContact O-CB 3.25Å; W355-T359 PolarHBondContact O-N 2.95Å; W355-T359 PolarHBondContact O-OG1 3.46Å; W355-L387 HydrophobicContact CB-CD2 4.35Å; W355-L387 HydrophobicContact CE3-CD1 4.05Å; W355-L387 HydrophobicContact CE3-CD2 3.85Å; W355-L387 HydrophobicContact CZ3-CD1 3.9Å
356I90.4Very high90Very high40 Ų4069.9 Ų69.921%0.20536%0.361CS..Hα-helixtrans-58.1-46.5177.8-59169.5000110.5K345 P354 L360K345-I356 HydrophobicContact CB-CD1 3.88Å; K345-I356 HydrophobicContact CD-CD1 4.31Å; K345-I356 HydrophobicContact CG-CD1 4.03Å; P354-I356 VanDerWaalsContact C-N 3.26Å; P354-I356 PolarHBondContact O-N 2.63Å; I356-L360 HydrophobicContact CG2-CD1 4.08Å; I356-L360 HydrophobicContact CG2-CG 4.47Å; I356-L360 WeakPolarHBondContact O-CB 3.21Å; I356-L360 VanDerWaalsContact O-CG 3.24Å; I356-L360 WeakPolarHBondContact O-CG 3.2Å; I356-L360 PolarHBondContact O-N 2.8Å
357S91Very high90.5Very high66 Ų6663.6 Ų63.646%0.46233%0.327SS..Hα-helixtrans-68.9-37.7178.8-1700000111.6P354 W355 N361P354-S357 PolarHBondContact O-N 2.97Å; W355-S357 VanDerWaalsContact C-N 3.32Å; W355-S357 PolarHBondContact O-N 2.85Å; S357-N361 WeakPolarHBondContact O-CB 3.3Å; S357-N361 PolarHBondContact O-N 3.41Å; S357-N361 PolarHBondContact O-ND2 3.38Å; S357-N361 PolarHBondContact O-OD1 3.38Å
358M92.7Very high90.9Very high91 Ų9158.6 Ų58.645%0.44830%0.304SS..Hα-helixtrans-63.7-47.3177-67.9171.961.700111.2P354 W355 N361 K362P354-M358 HydrophobicContact CB-SD 4.4Å; P354-M358 HydrophobicContact CG-SD 4.35Å; P354-M358 PolarHBondContact O-N 3.24Å; W355-M358 PolarHBondContact O-N 2.93Å; W355-M358 VanDerWaalsContact O-N 3.13Å; M358-N361 PolarHBondContact O-N 3.46Å; M358-K362 WeakPolarHBondContact O-CB 3.42Å; M358-K362 PolarHBondContact O-N 3.13Å
359T94Very high91.3Very high1 Ų160.7 Ų60.71%0.00631%0.314CS..Hα-helixtrans-61-47.5176-54.80000111W355 N361 K362 L363 A383 F386 L387W355-T359 WeakPolarHBondContact O-CB 3.25Å; W355-T359 PolarHBondContact O-N 2.95Å; W355-T359 PolarHBondContact O-OG1 3.46Å; T359-N361 PolarHBondContact O-N 2.93Å; T359-K362 PolarHBondContact O-N 3.01Å; T359-L363 HydrophobicContact CG2-CD1 4.09Å; T359-L363 HydrophobicContact CG2-CG 4.38Å; T359-L363 WeakPolarHBondContact O-CB 3.4Å; T359-L363 VanDerWaalsContact O-CG 3.27Å; T359-L363 WeakPolarHBondContact O-CG 3.38Å; T359-L363 PolarHBondContact O-N 3.2Å; T359-A383 HydrophobicContact CG2-CB 3.7Å; T359-F386 HydrophobicContact CG2-CD1 4.27Å; T359-L387 WeakPolarHBondContact OG1-CD2 3.49Å
360L94.3Very high91.7Very high21 Ų2155.1 Ų55.111%0.1130%0.297CS..Hα-helixtrans-61-44.2177.8-75.6176.8000112.4L334 L337 V344 I356 K362 L363 E364L334-L360 HydrophobicContact CD1-CB 4.27Å; L337-L360 HydrophobicContact CD2-CD2 3.99Å; V344-L360 HydrophobicContact CG2-CD2 4.1Å; I356-L360 HydrophobicContact CG2-CD1 4.08Å; I356-L360 HydrophobicContact CG2-CG 4.47Å; I356-L360 WeakPolarHBondContact O-CB 3.21Å; I356-L360 VanDerWaalsContact O-CG 3.24Å; I356-L360 WeakPolarHBondContact O-CG 3.2Å; I356-L360 PolarHBondContact O-N 2.8Å; L360-K362 VanDerWaalsContact C-N 3.31Å; L360-K362 PolarHBondContact O-N 3.33Å; L360-L363 PolarHBondContact O-N 2.97Å; L360-E364 VanDerWaalsContact O-CB 3.26Å; L360-E364 WeakPolarHBondContact O-CB 3.44Å; L360-E364 PolarHBondContact O-N 3.18Å
361N94.6Very high92.3Very high73 Ų7357 Ų5739%0.3931%0.312SS..Hα-helixtrans-64.2-37.9177.4-68.9-9.2000111.5S357 M358 T359 Q365S357-N361 WeakPolarHBondContact O-CB 3.3Å; S357-N361 PolarHBondContact O-N 3.41Å; S357-N361 PolarHBondContact O-ND2 3.38Å; S357-N361 PolarHBondContact O-OD1 3.38Å; M358-N361 PolarHBondContact O-N 3.46Å; T359-N361 PolarHBondContact O-N 2.93Å; N361-Q365 WeakPolarHBondContact O-CB 3.39Å; N361-Q365 PolarHBondContact O-N 3.08Å
362K95.7Very high93.1Very high61 Ų6153.2 Ų53.227%0.26529%0.286SS..Hα-helixtrans-68.1-45.5176.8-174.956168.8165.40111.7M358 T359 L360 E364 Q365 E366 F382 F386M358-K362 WeakPolarHBondContact O-CB 3.42Å; M358-K362 PolarHBondContact O-N 3.13Å; T359-K362 PolarHBondContact O-N 3.01Å; L360-K362 VanDerWaalsContact C-N 3.31Å; L360-K362 PolarHBondContact O-N 3.33Å; K362-E364 VanDerWaalsContact C-N 3.33Å; K362-E364 PolarHBondContact O-N 3.22Å; K362-Q365 PolarHBondContact O-N 2.82Å; K362-E366 HydrophobicContact CD-CG 4.4Å; K362-E366 VanDerWaalsContact CE-OE1 3.3Å; K362-E366 WeakPolarHBondContact CE-OE1 3.24Å; K362-E366 IonicContact NZ-OE1 3.87Å; K362-E366 PolarHBondContact NZ-OE1 2.64Å; K362-E366 WeakPolarHBondContact O-CG 3.43Å; K362-E366 PolarHBondContact O-N 2.69Å; K362-F382 HydrophobicContact CG-CE1 3.96Å; K362-F382 HydrophobicContact CG-CZ 4.43Å; K362-F386 HydrophobicContact CB-CE1 4.18Å; K362-F386 HydrophobicContact CB-CE2 4.3Å; K362-F386 HydrophobicContact CB-CZ 4.02Å; K362-F386 HydrophobicContact CG-CD2 3.99Å; K362-F386 HydrophobicContact CG-CE1 4.49Å; K362-F386 HydrophobicContact CG-CE2 3.84Å; K362-F386 HydrophobicContact CG-CG 4.39Å; K362-F386 HydrophobicContact CG-CZ 4.09Å
363L97Very high93.9Very high1 Ų148.3 Ų48.31%0.00527%0.271CS..Hα-helixtrans-58.8-45.2173.8-71.1172.7000111.4L337 L339 T359 L360 Q365 E366 V367 L372 L379 F382 A383L337-L363 HydrophobicContact CD2-CB 3.99Å; L337-L363 HydrophobicContact CD2-CD1 4.42Å; L339-L363 HydrophobicContact CD2-CD1 4.05Å; T359-L363 HydrophobicContact CG2-CD1 4.09Å; T359-L363 HydrophobicContact CG2-CG 4.38Å; T359-L363 WeakPolarHBondContact O-CB 3.4Å; T359-L363 VanDerWaalsContact O-CG 3.27Å; T359-L363 WeakPolarHBondContact O-CG 3.38Å; T359-L363 PolarHBondContact O-N 3.2Å; L360-L363 PolarHBondContact O-N 2.97Å; L363-Q365 VanDerWaalsContact C-N 3.35Å; L363-Q365 PolarHBondContact O-N 2.75Å; L363-E366 PolarHBondContact O-N 3.24Å; L363-V367 WeakPolarHBondContact O-CB 3.36Å; L363-V367 VanDerWaalsContact O-CG2 3.25Å; L363-V367 WeakPolarHBondContact O-CG2 3.25Å; L363-V367 PolarHBondContact O-N 2.94Å; L363-L372 HydrophobicContact CD2-CD2 3.6Å; L363-L379 HydrophobicContact CB-CD2 4.41Å; L363-L379 HydrophobicContact CD2-CB 4.35Å; L363-L379 HydrophobicContact CD2-CD2 4Å; L363-L379 WeakPolarHBondContact CD2-O 3.46Å; L363-F382 HydrophobicContact CD2-CB 4.08Å; L363-F382 HydrophobicContact CD2-CD1 3.53Å; L363-F382 HydrophobicContact CD2-CE1 4.39Å; L363-F382 HydrophobicContact CD2-CG 4.13Å; L363-A383 HydrophobicContact CD1-CB 4.34Å
364E97.2Very high94.7Very high17 Ų1748.9 Ų48.98%0.07927%0.265CS..Hα-helixtrans-56-49.4176-176.7-175.1-154.300111W293 Y296 I331 L334 L360 K362 V367 V368W293-E364 HydrophobicContact CH2-CG 4.49Å; W293-E364 HydrophobicContact CZ3-CG 4.17Å; Y296-E364 HydrophobicContact CE1-CG 4.2Å; Y296-E364 WeakPolarHBondContact CE1-OE1 3.41Å; Y296-E364 VanDerWaalsContact CZ-OE1 3.31Å; Y296-E364 PolarHBondContact OH-OE1 2.65Å; I331-E364 HydrophobicContact CD1-CG 4.09Å; L334-E364 WeakPolarHBondContact CA-OE1 3.26Å; L334-E364 WeakPolarHBondContact CB-OE1 3.29Å; L334-E364 HydrophobicContact CD1-CB 3.81Å; L334-E364 HydrophobicContact CD1-CG 4.05Å; L334-E364 PolarHBondContact N-OE1 3.04Å; L360-E364 VanDerWaalsContact O-CB 3.26Å; L360-E364 WeakPolarHBondContact O-CB 3.44Å; L360-E364 PolarHBondContact O-N 3.18Å; K362-E364 VanDerWaalsContact C-N 3.33Å; K362-E364 PolarHBondContact O-N 3.22Å; E364-V367 PolarHBondContact O-N 3.15Å; E364-V368 WeakPolarHBondContact O-CB 3.28Å; E364-V368 VanDerWaalsContact O-CG2 3.23Å; E364-V368 WeakPolarHBondContact O-CG2 3.43Å; E364-V368 PolarHBondContact O-N 3.44Å
365Q96.9Very high95.1Very high64 Ų6449.4 Ų49.430%0.29926%0.259SS..Hα-helixtrans-60.6-49.2178.3-174.1178.84.100112.5W293 N361 K362 L363 V367 V368 E369W293-Q365 HydrophobicContact CD2-CB 4.38Å; W293-Q365 HydrophobicContact CD2-CG 3.85Å; W293-Q365 HydrophobicContact CE3-CB 4.01Å; W293-Q365 HydrophobicContact CE3-CG 3.89Å; W293-Q365 HydrophobicContact CG-CG 4.3Å; W293-Q365 HydrophobicContact CH2-CB 3.96Å; W293-Q365 HydrophobicContact CH2-CG 4.42Å; W293-Q365 HydrophobicContact CZ2-CB 4.35Å; W293-Q365 HydrophobicContact CZ2-CG 4.41Å; W293-Q365 VanDerWaalsContact CZ3-CA 3.46Å; W293-Q365 HydrophobicContact CZ3-CB 3.8Å; W293-Q365 HydrophobicContact CZ3-CG 4.19Å; N361-Q365 WeakPolarHBondContact O-CB 3.39Å; N361-Q365 PolarHBondContact O-N 3.08Å; K362-Q365 PolarHBondContact O-N 2.82Å; L363-Q365 VanDerWaalsContact C-N 3.35Å; L363-Q365 PolarHBondContact O-N 2.75Å; Q365-V367 VanDerWaalsContact C-N 3.3Å; Q365-V367 PolarHBondContact O-N 2.9Å; Q365-V368 PolarHBondContact O-N 3.39Å; Q365-E369 HydrophobicContact CG-CG 4.38Å; Q365-E369 WeakPolarHBondContact O-CB 3.33Å; Q365-E369 VanDerWaalsContact O-CG 3.31Å; Q365-E369 WeakPolarHBondContact O-CG 3.47Å; Q365-E369 PolarHBondContact O-N 2.95Å
366E97.4Very high95.3Very high28 Ų2853.3 Ų53.313%0.13128%0.277CS..Hα-helixtrans-65.3-34.2-179.1-65.6-57.4151.400112.8K362 L363 G370 N371 L372 F382K362-E366 HydrophobicContact CD-CG 4.4Å; K362-E366 VanDerWaalsContact CE-OE1 3.3Å; K362-E366 WeakPolarHBondContact CE-OE1 3.24Å; K362-E366 IonicContact NZ-OE1 3.87Å; K362-E366 PolarHBondContact NZ-OE1 2.64Å; K362-E366 WeakPolarHBondContact O-CG 3.43Å; K362-E366 PolarHBondContact O-N 2.69Å; L363-E366 PolarHBondContact O-N 3.24Å; E366-G370 PolarHBondContact O-N 2.81Å; E366-N371 HydrophobicContact CB-CB 4.5Å; E366-N371 PolarHBondContact O-N 3.33Å; E366-N371 WeakPolarHBondContact OE2-CB 3.43Å; E366-N371 PolarHBondContact OE2-ND2 2.94Å; E366-L372 HydrophobicContact CB-CB 3.77Å; E366-L372 HydrophobicContact CB-CD2 4.2Å; E366-L372 PolarHBondContact O-N 3.22Å; E366-L372 VanDerWaalsContact O-N 3.08Å; E366-F382 HydrophobicContact CG-CE1 4.17Å; E366-F382 HydrophobicContact CG-CE2 4.09Å; E366-F382 HydrophobicContact CG-CZ 3.64Å
367V97.7Very high95.5Very high0 Ų059.7 Ų59.70%031%0.305CS..Hα-helixtrans-68.1-45.9174.11700000110.9P330 I331 L337 L363 E364 Q365 G370 L372 N374 L379P330-V367 HydrophobicContact CB-CG1 3.97Å; P330-V367 WeakPolarHBondContact CB-O 3.42Å; P330-V367 VanDerWaalsContact CG-O 3.25Å; P330-V367 WeakPolarHBondContact CG-O 3.41Å; I331-V367 HydrophobicContact CD1-CB 4.28Å; I331-V367 HydrophobicContact CD1-CG1 3.88Å; I331-V367 HydrophobicContact CG1-CG1 3.99Å; I331-V367 HydrophobicContact CG2-CG1 4.02Å; L337-V367 HydrophobicContact CD1-CB 4.27Å; L337-V367 HydrophobicContact CD1-CG2 3.81Å; L363-V367 WeakPolarHBondContact O-CB 3.36Å; L363-V367 VanDerWaalsContact O-CG2 3.25Å; L363-V367 WeakPolarHBondContact O-CG2 3.25Å; L363-V367 PolarHBondContact O-N 2.94Å; E364-V367 PolarHBondContact O-N 3.15Å; Q365-V367 VanDerWaalsContact C-N 3.3Å; Q365-V367 PolarHBondContact O-N 2.9Å; V367-G370 PolarHBondContact O-N 2.86Å; V367-G370 VanDerWaalsContact O-N 3.07Å; V367-L372 WeakPolarHBondContact CA-O 3.27Å; V367-L372 HydrophobicContact CG2-CB 4.09Å; V367-L372 HydrophobicContact CG2-CD2 4.28Å; V367-L372 HydrophobicContact CG2-CG 4.14Å; V367-N374 HydrophobicContact CG1-CB 3.78Å; V367-L379 HydrophobicContact CG2-CD2 3.6Å
368V97Very high95.8Very high0 Ų058 Ų580%030%0.296CS..Hα-helixtrans-62.9-43.4179.2168.20000111.7N292 W293 Y296 L329 I331 E364 Q365 G370N292-V368 HydrophobicContact CB-CG1 4.1Å; N292-V368 VanDerWaalsContact CB-O 3.25Å; N292-V368 WeakPolarHBondContact CB-O 3.45Å; N292-V368 PolarHBondContact ND2-O 2.88Å; N292-V368 VanDerWaalsContact ND2-O 3.12Å; W293-V368 HydrophobicContact CE3-CB 4.04Å; W293-V368 HydrophobicContact CE3-CG1 3.97Å; W293-V368 HydrophobicContact CE3-CG2 4.39Å; W293-V368 HydrophobicContact CZ3-CB 4.44Å; W293-V368 HydrophobicContact CZ3-CG2 4.38Å; Y296-V368 HydrophobicContact CD1-CG1 4.35Å; Y296-V368 HydrophobicContact CD1-CG2 4.02Å; Y296-V368 HydrophobicContact CD2-CG1 4.19Å; Y296-V368 HydrophobicContact CD2-CG2 3.61Å; Y296-V368 HydrophobicContact CE1-CG2 4.15Å; Y296-V368 HydrophobicContact CE2-CG2 3.74Å; Y296-V368 HydrophobicContact CG-CB 4.44Å; Y296-V368 HydrophobicContact CG-CG1 3.79Å; Y296-V368 HydrophobicContact CG-CG2 3.75Å; L329-V368 HydrophobicContact CD2-CG1 4.32Å; I331-V368 HydrophobicContact CD1-CG2 3.88Å; I331-V368 HydrophobicContact CG1-CG2 3.51Å; E364-V368 WeakPolarHBondContact O-CB 3.28Å; E364-V368 VanDerWaalsContact O-CG2 3.23Å; E364-V368 WeakPolarHBondContact O-CG2 3.43Å; E364-V368 PolarHBondContact O-N 3.44Å; Q365-V368 PolarHBondContact O-N 3.39Å; V368-G370 PolarHBondContact O-N 3.44Å
369E95.9Very high95.9Very high64 Ų6453.7 Ų53.730%0.29927%0.274SS..Hα-helixtrans-64.1-18.1174.8-72.9-77.216400112.6W293 Q365W293-E369 HydrophobicContact CB-CG 4.41Å; W293-E369 WeakPolarHBondContact CB-OE1 3.37Å; Q365-E369 HydrophobicContact CG-CG 4.38Å; Q365-E369 WeakPolarHBondContact O-CB 3.33Å; Q365-E369 VanDerWaalsContact O-CG 3.31Å; Q365-E369 WeakPolarHBondContact O-CG 3.47Å; Q365-E369 PolarHBondContact O-N 2.95Å
370G94.4Very high96Very high52 Ų5255.4 Ų55.454%0.53628%0.283SS..THydrogen-bonded Turntrans84.29.7-178.800000114.1E366 V367 V368 L372E366-G370 PolarHBondContact O-N 2.81Å; V367-G370 PolarHBondContact O-N 2.86Å; V367-G370 VanDerWaalsContact O-N 3.07Å; V368-G370 PolarHBondContact O-N 3.44Å; G370-L372 VanDerWaalsContact C-N 3.35Å
371N95.7Very high96.1Very high116 Ų11657.2 Ų57.262%0.6230%0.302SS*.SBendtrans-77.7-23.3176.5-60.8-32.1000112.4E366E366-N371 HydrophobicContact CB-CB 4.5Å; E366-N371 PolarHBondContact O-N 3.33Å; E366-N371 WeakPolarHBondContact OE2-CB 3.43Å; E366-N371 PolarHBondContact OE2-ND2 2.94Å
372L96.3Very high96.1Very high24 Ų2456.3 Ų56.313%0.12629%0.294CS..SBendtrans-128.7133.3-177.9-174.257.9000110.7L363 E366 V367 G370 A378 L379 F382L363-L372 HydrophobicContact CD2-CD2 3.6Å; E366-L372 HydrophobicContact CB-CB 3.77Å; E366-L372 HydrophobicContact CB-CD2 4.2Å; E366-L372 PolarHBondContact O-N 3.22Å; E366-L372 VanDerWaalsContact O-N 3.08Å; V367-L372 WeakPolarHBondContact CA-O 3.27Å; V367-L372 HydrophobicContact CG2-CB 4.09Å; V367-L372 HydrophobicContact CG2-CD2 4.28Å; V367-L372 HydrophobicContact CG2-CG 4.14Å; G370-L372 VanDerWaalsContact C-N 3.35Å; L372-A378 HydrophobicContact CD1-CB 4.11Å; L372-L379 HydrophobicContact CD2-CD2 3.62Å; L372-L379 HydrophobicContact CG-CD2 3.96Å; L372-F382 HydrophobicContact CD1-CB 4.11Å; L372-F382 HydrophobicContact CD1-CD2 4.43Å; L372-F382 HydrophobicContact CD1-CG 4.48Å; L372-F382 HydrophobicContact CD2-CB 3.81Å; L372-F382 HydrophobicContact CD2-CD1 4.14Å; L372-F382 HydrophobicContact CD2-CD2 4.14Å; L372-F382 HydrophobicContact CD2-CG 3.75Å
373K96Very high96Very high138 Ų13853.4 Ų53.460%0.628%0.281SS*.  trans-72.1139.1173.9-67.1-173.8179.8-1780110.1E375K373-E375 HydrophobicContact CB-CB 4.45Å; K373-E375 HydrophobicContact CB-CG 4.2Å; K373-E375 PolarHBondContact O-N 3.29Å
374N97Very high95.9Very high50 Ų5058 Ų5827%0.26730%0.303SS..SBendtrans-75.758.2174.4-167.423.6000112I331 D336 L337 A338 V367I331-N374 HydrophobicContact CG2-CB 4.47Å; I331-N374 WeakPolarHBondContact CG2-ND2 3.45Å; D336-N374 PolarHBondContact O-ND2 3.06Å; L337-N374 WeakPolarHBondContact CA-OD1 3.2Å; A338-N374 WeakPolarHBondContact CB-O 3.48Å; A338-N374 WeakPolarHBondContact CB-OD1 3.37Å; A338-N374 PolarHBondContact N-OD1 3.34Å; V367-N374 HydrophobicContact CG1-CB 3.78Å
375E96.5Very high95.7Very high109 Ų10960.5 Ų60.551%0.50932%0.317SS..  trans-126.9132.1-177-68.8172.1-168.200108.9K373 E377 A378 L379K373-E375 HydrophobicContact CB-CB 4.45Å; K373-E375 HydrophobicContact CB-CG 4.2Å; K373-E375 PolarHBondContact O-N 3.29Å; E375-E377 VanDerWaalsContact C-N 3.31Å; E375-E377 PolarHBondContact O-N 2.96Å; E375-E377 VanDerWaalsContact O-N 3.17Å; E375-A378 HydrophobicContact CB-CB 4.41Å; E375-A378 PolarHBondContact O-N 3.05Å; E375-A378 VanDerWaalsContact O-N 3.09Å; E375-L379 VanDerWaalsContact O-CG 3.28Å; E375-L379 WeakPolarHBondContact O-CG 3.41Å; E375-L379 PolarHBondContact O-N 2.66Å
376K94.3Very high95.5Very high104 Ų10458.7 Ų58.745%0.45231%0.308SS..Hα-helixtrans-51.5-45.5-170.6-75-173.2172.1-166.20114.2A338 E343 L379 L380A338-K376 HydrophobicContact CB-CG 4.15Å; A338-K376 WeakPolarHBondContact O-CE 3.24Å; A338-K376 WeakPolarHBondContact O-CG 3.42Å; E343-K376 WeakPolarHBondContact OE1-CE 3.32Å; E343-K376 IonicContact OE1-NZ 3.25Å; E343-K376 PolarHBondContact OE1-NZ 3.21Å; E343-K376 IonicContact OE2-NZ 3.72Å; K376-L379 PolarHBondContact O-N 2.94Å; K376-L380 WeakPolarHBondContact O-CG 3.23Å; K376-L380 PolarHBondContact O-N 3.35Å
377E94.3Very high95.2Very high173 Ų17357.5 Ų57.581%0.80830%0.303SS*.Hα-helixtrans-64.3-44.6-178.9-65.6177.9-177.100111.9E375 L380 A381E375-E377 VanDerWaalsContact C-N 3.31Å; E375-E377 PolarHBondContact O-N 2.96Å; E375-E377 VanDerWaalsContact O-N 3.17Å; E377-L380 PolarHBondContact O-N 3.23Å; E377-A381 WeakPolarHBondContact O-CB 3.39Å; E377-A381 PolarHBondContact O-N 3Å
378A95.9Very high94.8Very high31 Ų3163 Ų6326%0.25633%0.328SS..Hα-helixtrans-64.6-40.7177.100000111.8L372 E375 F382L372-A378 HydrophobicContact CD1-CB 4.11Å; E375-A378 HydrophobicContact CB-CB 4.41Å; E375-A378 PolarHBondContact O-N 3.05Å; E375-A378 VanDerWaalsContact O-N 3.09Å; A378-F382 WeakPolarHBondContact O-CB 3.24Å; A378-F382 PolarHBondContact O-N 2.96Å
379L96.7Very high94.4Very high0 Ų069 Ų690%036%0.355CS..Hα-helixtrans-65-42177.9-64.6173.2000112L337 A338 L339 L363 V367 L372 E375 K376 A383L337-L379 HydrophobicContact CD1-CD1 4.14Å; L337-L379 HydrophobicContact CD1-CD2 4.04Å; L337-L379 HydrophobicContact CG-CD1 4.08Å; A338-L379 HydrophobicContact CB-CD1 3.92Å; L339-L379 HydrophobicContact CB-CB 4Å; L339-L379 HydrophobicContact CB-CD1 3.59Å; L339-L379 HydrophobicContact CB-CG 4.44Å; L339-L379 HydrophobicContact CD2-CB 3.85Å; L363-L379 HydrophobicContact CB-CD2 4.41Å; L363-L379 HydrophobicContact CD2-CB 4.35Å; L363-L379 HydrophobicContact CD2-CD2 4Å; L363-L379 WeakPolarHBondContact CD2-O 3.46Å; V367-L379 HydrophobicContact CG2-CD2 3.6Å; L372-L379 HydrophobicContact CD2-CD2 3.62Å; L372-L379 HydrophobicContact CG-CD2 3.96Å; E375-L379 VanDerWaalsContact O-CG 3.28Å; E375-L379 WeakPolarHBondContact O-CG 3.41Å; E375-L379 PolarHBondContact O-N 2.66Å; K376-L379 PolarHBondContact O-N 2.94Å; L379-A383 VanDerWaalsContact O-CB 3.3Å; L379-A383 WeakPolarHBondContact O-CB 3.49Å; L379-A383 PolarHBondContact O-N 3.05Å
380L95.4Very high93.9Very high37 Ų3771.5 Ų71.519%0.19437%0.366CS..Hα-helixtrans-66-46177.5-77170.3000111.7L339 H347 F348 K376 E377 F382 A383 E384L339-L380 HydrophobicContact CD1-CD1 4.5Å; L339-L380 HydrophobicContact CD1-CD2 3.86Å; L339-L380 HydrophobicContact CD1-CG 3.98Å; L339-L380 HydrophobicContact CD2-CD2 3.82Å; L339-L380 HydrophobicContact CD2-CG 4.05Å; H347-L380 HydrophobicContact CB-CD2 4.09Å; F348-L380 HydrophobicContact CE2-CD2 4.09Å; F348-L380 HydrophobicContact CZ-CD2 4.47Å; K376-L380 WeakPolarHBondContact O-CG 3.23Å; K376-L380 PolarHBondContact O-N 3.35Å; E377-L380 PolarHBondContact O-N 3.23Å; L380-F382 VanDerWaalsContact C-N 3.31Å; L380-F382 PolarHBondContact O-N 3.4Å; L380-A383 WeakPolarHBondContact O-CB 3.4Å; L380-A383 PolarHBondContact O-N 3.36Å; L380-A383 VanDerWaalsContact O-N 3.15Å; L380-E384 PolarHBondContact O-N 3.06Å
381A95.1Very high93.1Very high60 Ų6073.1 Ų73.150%0.49636%0.361SS..Hα-helixtrans-60.6-40.9177.700000112.2E377 D385E377-A381 WeakPolarHBondContact O-CB 3.39Å; E377-A381 PolarHBondContact O-N 3Å; A381-D385 PolarHBondContact O-N 2.82Å
382F96Very high91.6Very high53 Ų5374.7 Ų74.723%0.23238%0.381CS..Hα-helixtrans-66.6-41174.5-174.4-80.6000112K362 L363 E366 L372 A378 L380 E384 D385 F386K362-F382 HydrophobicContact CG-CE1 3.96Å; K362-F382 HydrophobicContact CG-CZ 4.43Å; L363-F382 HydrophobicContact CD2-CB 4.08Å; L363-F382 HydrophobicContact CD2-CD1 3.53Å; L363-F382 HydrophobicContact CD2-CE1 4.39Å; L363-F382 HydrophobicContact CD2-CG 4.13Å; E366-F382 HydrophobicContact CG-CE1 4.17Å; E366-F382 HydrophobicContact CG-CE2 4.09Å; E366-F382 HydrophobicContact CG-CZ 3.64Å; L372-F382 HydrophobicContact CD1-CB 4.11Å; L372-F382 HydrophobicContact CD1-CD2 4.43Å; L372-F382 HydrophobicContact CD1-CG 4.48Å; L372-F382 HydrophobicContact CD2-CB 3.81Å; L372-F382 HydrophobicContact CD2-CD1 4.14Å; L372-F382 HydrophobicContact CD2-CD2 4.14Å; L372-F382 HydrophobicContact CD2-CG 3.75Å; A378-F382 WeakPolarHBondContact O-CB 3.24Å; A378-F382 PolarHBondContact O-N 2.96Å; L380-F382 VanDerWaalsContact C-N 3.31Å; L380-F382 PolarHBondContact O-N 3.4Å; F382-E384 VanDerWaalsContact C-N 3.31Å; F382-E384 PolarHBondContact O-N 3.09Å; F382-D385 PolarHBondContact O-N 3.17Å; F382-F386 HydrophobicContact CD1-CB 4.36Å; F382-F386 HydrophobicContact CE1-CB 4.1Å; F382-F386 WeakPolarHBondContact O-CB 3.39Å; F382-F386 PolarHBondContact O-N 3.4Å
383A94.2Very high91.3Very high0 Ų077.3 Ų77.30%039%0.394CS..Hα-helixtrans-62.4-37.7179.200000112.4F348 T359 L363 L379 L380 L387F348-A383 HydrophobicContact CE2-CB 3.73Å; F348-A383 HydrophobicContact CZ-CB 3.87Å; T359-A383 HydrophobicContact CG2-CB 3.7Å; L363-A383 HydrophobicContact CD1-CB 4.34Å; L379-A383 VanDerWaalsContact O-CB 3.3Å; L379-A383 WeakPolarHBondContact O-CB 3.49Å; L379-A383 PolarHBondContact O-N 3.05Å; L380-A383 WeakPolarHBondContact O-CB 3.4Å; L380-A383 PolarHBondContact O-N 3.36Å; L380-A383 VanDerWaalsContact O-N 3.15Å; A383-L387 VanDerWaalsContact O-CB 3.32Å; A383-L387 WeakPolarHBondContact O-CB 3.37Å; A383-L387 VanDerWaalsContact O-CG 3.24Å; A383-L387 WeakPolarHBondContact O-CG 3.49Å; A383-L387 PolarHBondContact O-N 3.05Å
384E93.6Very high91.1Very high99 Ų9974.1 Ų74.146%0.46338%0.383SS..Hα-helixtrans-61-55.1175.3-169.9170.3-160.200111.1F348 L380 F382 F386 L387 E388F348-E384 HydrophobicContact CE1-CB 3.71Å; F348-E384 HydrophobicContact CE1-CG 4.04Å; F348-E384 HydrophobicContact CZ-CB 3.96Å; L380-E384 PolarHBondContact O-N 3.06Å; F382-E384 VanDerWaalsContact C-N 3.31Å; F382-E384 PolarHBondContact O-N 3.09Å; E384-F386 VanDerWaalsContact C-N 3.32Å; E384-F386 PolarHBondContact O-N 2.95Å; E384-L387 PolarHBondContact O-N 3.44Å; E384-E388 WeakPolarHBondContact O-CG 3.5Å; E384-E388 PolarHBondContact O-N 3.42Å
385D93.3Very high90.8Very high68 Ų6875.4 Ų75.436%0.36439%0.389SS..Hα-helixtrans-60.3-38.4178.1172.877.9000112.8A381 F382 K389A381-D385 PolarHBondContact O-N 2.82Å; F382-D385 PolarHBondContact O-N 3.17Å; D385-K389 WeakPolarHBondContact O-CG 3.44Å; D385-K389 PolarHBondContact O-N 2.96Å; D385-K389 WeakPolarHBondContact OD1-CE 3.3Å; D385-K389 IonicContact OD1-NZ 2.77Å; D385-K389 PolarHBondContact OD1-NZ 3.29Å; D385-K389 IonicContact OD2-NZ 2.64Å; D385-K389 PolarHBondContact OD2-NZ 2.64Å
386F93.8Very high90.4Very high27 Ų2773.4 Ų73.412%0.11838%0.382CS..Hα-helixtrans-66.2-45.5176.4175.7-109000112.1T359 K362 F382 E384 K389 E390T359-F386 HydrophobicContact CG2-CD1 4.27Å; K362-F386 HydrophobicContact CB-CE1 4.18Å; K362-F386 HydrophobicContact CB-CE2 4.3Å; K362-F386 HydrophobicContact CB-CZ 4.02Å; K362-F386 HydrophobicContact CG-CD2 3.99Å; K362-F386 HydrophobicContact CG-CE1 4.49Å; K362-F386 HydrophobicContact CG-CE2 3.84Å; K362-F386 HydrophobicContact CG-CG 4.39Å; K362-F386 HydrophobicContact CG-CZ 4.09Å; F382-F386 HydrophobicContact CD1-CB 4.36Å; F382-F386 HydrophobicContact CE1-CB 4.1Å; F382-F386 WeakPolarHBondContact O-CB 3.39Å; F382-F386 PolarHBondContact O-N 3.4Å; E384-F386 VanDerWaalsContact C-N 3.32Å; E384-F386 PolarHBondContact O-N 2.95Å; F386-K389 PolarHBondContact O-N 2.98Å; F386-E390 HydrophobicContact CD2-CG 4.02Å; F386-E390 HydrophobicContact CE1-CG 4.15Å; F386-E390 HydrophobicContact CE2-CG 3.52Å; F386-E390 HydrophobicContact CZ-CG 3.61Å; F386-E390 WeakPolarHBondContact O-CG 3.4Å; F386-E390 PolarHBondContact O-N 3.49Å
387L91.1Very high90.2Very high3 Ų371.5 Ų71.52%0.01638%0.378CS..Hα-helixtrans-68.5-38.1-179.4-75.6169.7000112.3F348 Y350 W355 T359 A383 E384 K389 E390 M391F348-L387 HydrophobicContact CB-CD1 4.27Å; F348-L387 HydrophobicContact CD1-CD1 4.16Å; F348-L387 HydrophobicContact CD2-CD1 3.9Å; F348-L387 HydrophobicContact CE2-CD1 4.27Å; F348-L387 HydrophobicContact CG-CD1 3.85Å; Y350-L387 HydrophobicContact CD2-CD1 4.3Å; Y350-L387 HydrophobicContact CE2-CB 4.05Å; Y350-L387 HydrophobicContact CE2-CD1 3.99Å; Y350-L387 HydrophobicContact CE2-CG 4.44Å; W355-L387 HydrophobicContact CB-CD2 4.35Å; W355-L387 HydrophobicContact CE3-CD1 4.05Å; W355-L387 HydrophobicContact CE3-CD2 3.85Å; W355-L387 HydrophobicContact CZ3-CD1 3.9Å; T359-L387 WeakPolarHBondContact OG1-CD2 3.49Å; A383-L387 VanDerWaalsContact O-CB 3.32Å; A383-L387 WeakPolarHBondContact O-CB 3.37Å; A383-L387 VanDerWaalsContact O-CG 3.24Å; A383-L387 WeakPolarHBondContact O-CG 3.49Å; A383-L387 PolarHBondContact O-N 3.05Å; E384-L387 PolarHBondContact O-N 3.44Å; L387-K389 VanDerWaalsContact C-N 3.25Å; L387-K389 PolarHBondContact O-N 3.1Å; L387-E390 PolarHBondContact O-N 3.46Å; L387-M391 HydrophobicContact CD2-CG 4.47Å; L387-M391 HydrophobicContact CD2-SD 4.02Å; L387-M391 VanDerWaalsContact O-CB 3.24Å; L387-M391 WeakPolarHBondContact O-CB 3.3Å; L387-M391 WeakPolarHBondContact O-CG 3.48Å; L387-M391 PolarHBondContact O-N 2.9Å
388E88.5Confident89.9Confident115 Ų11564.7 Ų64.754%0.53735%0.349SS..Hα-helixtrans-57.9-39.1173.3-75-174.4167.600111.9E384 S392E384-E388 WeakPolarHBondContact O-CG 3.5Å; E384-E388 PolarHBondContact O-N 3.42Å; E388-S392 VanDerWaalsContact O-CB 3.23Å; E388-S392 WeakPolarHBondContact O-CB 3.05Å; E388-S392 PolarHBondContact O-N 3.03Å; E388-S392 PolarHBondContact O-OG 3.33Å
389K88.8Confident89.5Confident127 Ų12767.1 Ų67.155%0.55236%0.356SS*.Hα-helixtrans-75.4-36.3179.5-72.2169.6-173.7161.10114.1D385 F386 L387D385-K389 WeakPolarHBondContact O-CG 3.44Å; D385-K389 PolarHBondContact O-N 2.96Å; D385-K389 WeakPolarHBondContact OD1-CE 3.3Å; D385-K389 IonicContact OD1-NZ 2.77Å; D385-K389 PolarHBondContact OD1-NZ 3.29Å; D385-K389 IonicContact OD2-NZ 2.64Å; D385-K389 PolarHBondContact OD2-NZ 2.64Å; F386-K389 PolarHBondContact O-N 2.98Å; L387-K389 VanDerWaalsContact C-N 3.25Å; L387-K389 PolarHBondContact O-N 3.1Å
390E84.7Confident88.9Confident115 Ų11572.3 Ų72.354%0.53738%0.383SS..Hα-helixtrans-85.8-20.4-177.4-68.7-71.5142.500113.2F386 L387F386-E390 HydrophobicContact CD2-CG 4.02Å; F386-E390 HydrophobicContact CE1-CG 4.15Å; F386-E390 HydrophobicContact CE2-CG 3.52Å; F386-E390 HydrophobicContact CZ-CG 3.61Å; F386-E390 WeakPolarHBondContact O-CG 3.4Å; F386-E390 PolarHBondContact O-N 3.49Å; L387-E390 PolarHBondContact O-N 3.46Å
391M77.4Confident88.4Confident86 Ų8675.3 Ų75.342%0.42440%0.399SS..Hα-helixtrans-110.6-3.7-176.9-57.7-165.163.900114.6Y350 L387Y350-M391 HydrophobicContact CD1-CE 3.17Å; Y350-M391 HydrophobicContact CD1-SD 3.37Å; Y350-M391 WeakPolarHBondContact CD1-SD 3.26Å; Y350-M391 HydrophobicContact CD2-SD 3.9Å; Y350-M391 HydrophobicContact CE1-CB 4.26Å; Y350-M391 HydrophobicContact CE1-CE 3.56Å; Y350-M391 HydrophobicContact CE1-CG 4.44Å; Y350-M391 HydrophobicContact CE1-SD 3.4Å; Y350-M391 WeakPolarHBondContact CE1-SD 3.39Å; Y350-M391 HydrophobicContact CE2-SD 3.95Å; Y350-M391 HydrophobicContact CG-CE 3.77Å; Y350-M391 HydrophobicContact CG-SD 3.61Å; L387-M391 HydrophobicContact CD2-CG 4.47Å; L387-M391 HydrophobicContact CD2-SD 4.02Å; L387-M391 VanDerWaalsContact O-CB 3.24Å; L387-M391 WeakPolarHBondContact O-CB 3.3Å; L387-M391 WeakPolarHBondContact O-CG 3.48Å; L387-M391 PolarHBondContact O-N 2.9Å
392S64.6Low87.8Confident150 Ų15076.6 Ų76.6100%1.04939%0.39SS*.  trans-80.50164.651.20000111.3E388E388-S392 VanDerWaalsContact O-CB 3.23Å; E388-S392 WeakPolarHBondContact O-CB 3.05Å; E388-S392 PolarHBondContact O-N 3.03Å; E388-S392 PolarHBondContact O-OG 3.33Å

Retrieved 392 of 392 residues in 874.4 ms (Link to these results)

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