A0A096N9E5_PAPAN Loading...

Sulfotransferase

AlphaFold DB , UniProt , Accession A0A096N9E5, Species PAPAN (Papio anubis, Olive baboon), Gene SULT1B1, Length 299 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
1M54.2Low80Confident222 Ų22286.6 Ų86.6100%1.09444%0.436SS*.  0130.90-78.3-176.8-9400107.7
2L59.9Low81.6Confident65 Ų6583.3 Ų83.334%0.3442%0.42SS..  trans-65.5135.3172.9-71.9164.5000108.9D6 N26 P87L2-D6 HydrophobicContact CD2-CB 4.22Å; L2-N26 HydrophobicContact CD1-CB 4.33Å; L2-N26 WeakPolarHBondContact CD1-ND2 3.47Å; L2-P87 HydrophobicContact CD1-CG 4.48Å
3S66.9Low82.8Confident47 Ų4783.8 Ų83.833%0.32942%0.418SS..  trans-77.8155.3174.280.20000109.8K5 D6S3-K5 PolarHBondContact O-N 3.05Å; S3-K5 VanDerWaalsContact O-N 3.12Å; S3-K5 PolarHBondContact OG-N 3.37Å; S3-D6 WeakPolarHBondContact CA-OD2 3.43Å; S3-D6 VanDerWaalsContact CB-OD2 3.32Å; S3-D6 WeakPolarHBondContact CB-OD2 3.44Å; S3-D6 PolarHBondContact N-OD2 3.11Å; S3-D6 WeakPolarHBondContact O-CB 3.4Å; S3-D6 PolarHBondContact O-N 3.33Å; S3-D6 PolarHBondContact OG-OD1 2.69Å; S3-D6 PolarHBondContact OG-OD2 3.44Å
4P66.7Low83.9Confident56 Ų5686.8 Ų86.836%0.36444%0.435SS..G310 helixtrans-52.3-34.5174.2-29.936.5000113.6D6 I7 L8 L89P4-D6 PolarHBondContact O-N 2.69Å; P4-I7 WeakPolarHBondContact O-CG1 3.44Å; P4-I7 PolarHBondContact O-N 2.92Å; P4-L8 VanDerWaalsContact O-CG 3.27Å; P4-L8 WeakPolarHBondContact O-CG 3.21Å; P4-L8 PolarHBondContact O-N 2.91Å; P4-L89 HydrophobicContact CB-CD1 4.08Å; P4-L89 HydrophobicContact CG-CD1 3.98Å; P4-L89 HydrophobicContact CG-CG 4.3Å
5K70.7Confident84.8Confident172 Ų17281.7 Ų81.775%0.74841%0.41SS*.G310 helixtrans-65.4-18.8179.2-67.4-175.1179.1-179.50113.7S3 I7 K10S3-K5 PolarHBondContact O-N 3.05Å; S3-K5 VanDerWaalsContact O-N 3.12Å; S3-K5 PolarHBondContact OG-N 3.37Å; K5-I7 VanDerWaalsContact C-N 3.33Å; K5-K10 VanDerWaalsContact O-CE 3.31Å; K5-K10 WeakPolarHBondContact O-CE 3.4Å
6D83.5Confident85.6Confident76 Ų7684.8 Ų84.841%0.40642%0.422SS..G310 helixtrans-83.5-11.2-174.6-57.6-37.3000113L2 S3 P4 K10L2-D6 HydrophobicContact CD2-CB 4.22Å; S3-D6 WeakPolarHBondContact CA-OD2 3.43Å; S3-D6 VanDerWaalsContact CB-OD2 3.32Å; S3-D6 WeakPolarHBondContact CB-OD2 3.44Å; S3-D6 PolarHBondContact N-OD2 3.11Å; S3-D6 WeakPolarHBondContact O-CB 3.4Å; S3-D6 PolarHBondContact O-N 3.33Å; S3-D6 PolarHBondContact OG-OD1 2.69Å; S3-D6 PolarHBondContact OG-OD2 3.44Å; P4-D6 PolarHBondContact O-N 2.69Å; D6-K10 WeakPolarHBondContact O-CG 3.09Å
7I91Very high86.2Confident3 Ų383.3 Ų83.32%0.01543%0.434CS..THydrogen-bonded Turntrans-124.1-15.8-17562.3170.9000114.4P4 K5 A23 L86 L149P4-I7 WeakPolarHBondContact O-CG1 3.44Å; P4-I7 PolarHBondContact O-N 2.92Å; K5-I7 VanDerWaalsContact C-N 3.33Å; I7-A23 HydrophobicContact CB-CB 4.09Å; I7-A23 HydrophobicContact CD1-CB 4.07Å; I7-A23 HydrophobicContact CG2-CB 4.41Å; I7-L86 HydrophobicContact CD1-CD2 3.79Å; I7-L149 HydrophobicContact CD1-CD2 4.2Å
8L95.2Very high86.9Confident40 Ų4079.4 Ų79.421%0.20942%0.415CS..THydrogen-bonded Turntrans-78.3132.8-179.9-62174.7000111.6P4 K10 N148 L149 T247P4-L8 VanDerWaalsContact O-CG 3.27Å; P4-L8 WeakPolarHBondContact O-CG 3.21Å; P4-L8 PolarHBondContact O-N 2.91Å; L8-K10 PolarHBondContact O-N 2.82Å; L8-K10 VanDerWaalsContact O-N 3.08Å; L8-N148 CarbonylContact C-O 3.45Å; L8-N148 VanDerWaalsContact CA-O 3.32Å; L8-N148 WeakPolarHBondContact CA-O 3.41Å; L8-N148 HydrophobicContact CD2-CB 4.03Å; L8-L149 HydrophobicContact CD2-CD2 3.96Å; L8-T247 WeakPolarHBondContact CD1-OG1 3.47Å; L8-T247 WeakPolarHBondContact CD2-O 3.48Å
9R97.1Very high87.5Confident48 Ų4876.4 Ų76.418%0.18140%0.4CS..THydrogen-bonded Turntrans51.430.5177.1-58.1-58-171.5175.9-1113.7D144 L145 N147 N148 Q150 F152R9-D144 PolarHBondContact NH1-O 3.28Å; R9-L145 PolarHBondContact NH2-O 2.85Å; R9-N147 PolarHBondContact NH1-O 3.37Å; R9-N148 VanDerWaalsContact CZ-OD1 3.26Å; R9-N148 PolarHBondContact N-O 2.91Å; R9-N148 PolarHBondContact NE-OD1 3.15Å; R9-N148 PolarHBondContact NH2-OD1 2.74Å; R9-Q150 WeakPolarHBondContact CD-O 3.41Å; R9-Q150 PolarHBondContact NH1-O 3.49Å; R9-Q150 VanDerWaalsContact NH1-O 3.12Å; R9-F152 HydrophobicContact CB-CD2 4.23Å; R9-F152 HydrophobicContact CB-CE2 3.77Å; R9-F152 HydrophobicContact CB-CZ 4.26Å; R9-F152 HydrophobicContact CG-CD2 4.37Å; R9-F152 HydrophobicContact CG-CE1 4.28Å; R9-F152 HydrophobicContact CG-CE2 3.71Å; R9-F152 HydrophobicContact CG-CZ 3.66Å
10K97.3Very high88Confident91 Ų9172.6 Ų72.640%0.39638%0.38SS..PPolyproline II helixtrans-86154.2176.6-62.3-57.3-177.11790111K5 D6 L8 C22 P151K5-K10 VanDerWaalsContact O-CE 3.31Å; K5-K10 WeakPolarHBondContact O-CE 3.4Å; D6-K10 WeakPolarHBondContact O-CG 3.09Å; L8-K10 PolarHBondContact O-N 2.82Å; L8-K10 VanDerWaalsContact O-N 3.08Å; K10-C22 HydrophobicContact CB-CB 3.72Å; K10-P151 WeakPolarHBondContact O-CG 3.46Å
11D98.1Very high88.5Confident133 Ų13369.1 Ų69.171%0.71136%0.362SS*.PPolyproline II helixtrans-58.9154.7172.5-62.8-37.6000111.8
12L98.4Very high90.5Very high46 Ų4658.9 Ų58.924%0.24131%0.312CS..PPolyproline II helixtrans-64.9147.3173.8-55.8179.9000110.1P19 M20 P151 V168 A169L12-P19 HydrophobicContact CB-CB 4.18Å; L12-P19 HydrophobicContact CD1-CB 3.79Å; L12-M20 WeakPolarHBondContact CA-O 3.48Å; L12-P151 HydrophobicContact CD2-CG 3.72Å; L12-P151 HydrophobicContact CG-CG 3.83Å; L12-V168 VanDerWaalsContact CD1-C 3.44Å; L12-A169 HydrophobicContact CD1-CB 4.43Å; L12-A169 HydrophobicContact CD2-CB 3.9Å
13K97.9Very high92.2Very high91 Ų9155.8 Ų55.840%0.39630%0.296SS..EExtended strand (participates in β ladder)trans-110.9146.4173.2-69.7-176.2177.3178.90109.5M20 C22 V25K13-M20 PolarHBondContact N-O 2.81Å; K13-M20 PolarHBondContact O-N 2.88Å; K13-C22 VanDerWaalsContact CE-SG 3.55Å; K13-V25 HydrophobicContact CB-CB 4.26Å; K13-V25 HydrophobicContact CB-CG1 4.14Å; K13-V25 HydrophobicContact CB-CG2 3.75Å; K13-V25 HydrophobicContact CD-CB 4.29Å; K13-V25 HydrophobicContact CD-CG1 4.23Å
14L98.1Very high93.5Very high125 Ų12554.1 Ų54.165%0.65428%0.283SS*.EExtended strand (participates in β ladder)trans-84.4134177.2-62.4179000110.4C18 P19L14-C18 CarbonylContact C-O 3.59Å; L14-C18 WeakPolarHBondContact CA-O 3.44Å; L14-P19 HydrophobicContact CD2-CB 4.23Å; L14-P19 HydrophobicContact CD2-CG 4Å
15V97.8Very high94.8Very high10 Ų1052.7 Ų52.76%0.06127%0.273CS..EExtended strand (participates in β ladder)trans-125.3114.3168-179.60000107.8G17 C18 M20 V25 W28V15-G17 PolarHBondContact O-N 3.48Å; V15-G17 VanDerWaalsContact O-N 3.09Å; V15-C18 PolarHBondContact N-O 3.09Å; V15-C18 WeakPolarHBondContact O-CB 3.33Å; V15-C18 PolarHBondContact O-N 3.03Å; V15-M20 HydrophobicContact CB-CG 4.06Å; V15-M20 HydrophobicContact CG2-CB 4.25Å; V15-M20 HydrophobicContact CG2-CG 3.97Å; V15-V25 HydrophobicContact CG2-CB 4.14Å; V15-V25 HydrophobicContact CG2-CG1 3.62Å; V15-V25 HydrophobicContact CG2-CG2 3.72Å; V15-W28 HydrophobicContact CG1-CD2 3.57Å; V15-W28 HydrophobicContact CG1-CE3 4.15Å; V15-W28 HydrophobicContact CG1-CG 3.8Å; V15-W28 HydrophobicContact CG1-CH2 4.28Å; V15-W28 HydrophobicContact CG1-CZ2 3.78Å; V15-W28 HydrophobicContact CG1-CZ3 4.48Å; V15-W28 HydrophobicContact CG2-CD2 4.4Å; V15-W28 HydrophobicContact CG2-CE3 4.23Å; V15-W28 HydrophobicContact CG2-CZ3 4.44Å
16H96.3Very high95.5Very high131 Ų13146.7 Ų46.761%0.60625%0.249SC*.THydrogen-bonded Turntrans4640.1-173.2-54-52.9000113.2C18 E32 L114H16-C18 VanDerWaalsContact C-N 3.31Å; H16-C18 PolarHBondContact O-N 3.14Å; H16-E32 IonicContact CD2-OE1 2.85Å; H16-E32 IonicContact CE1-OE1 3.77Å; H16-E32 IonicContact NE2-OE1 2.86Å; H16-E32 PolarHBondContact NE2-OE1 3.01Å; H16-L114 HydrophobicContact CB-CD2 3.96Å
17G96.6Very high95.5Very high60 Ų6049.4 Ų49.462%0.61926%0.264SS*.THydrogen-bonded Turntrans83.7-8.5-178.800000115.8V15V15-G17 PolarHBondContact O-N 3.48Å; V15-G17 VanDerWaalsContact O-N 3.09Å
18C98.1Very high95.6Very high14 Ų1450.4 Ų50.410%0.09527%0.267CS..EExtended strand (participates in β ladder)trans-86.9126.5174.8-173.30000111.2L14 V15 H16 M20 L114L14-C18 CarbonylContact C-O 3.59Å; L14-C18 WeakPolarHBondContact CA-O 3.44Å; V15-C18 PolarHBondContact N-O 3.09Å; V15-C18 WeakPolarHBondContact O-CB 3.33Å; V15-C18 PolarHBondContact O-N 3.03Å; H16-C18 VanDerWaalsContact C-N 3.31Å; H16-C18 PolarHBondContact O-N 3.14Å; C18-M20 PolarHBondContact O-N 3.41Å; C18-L114 HydrophobicContact CB-CD1 3.66Å
19P98.6Very high95.6Very high21 Ų2155 Ų5514%0.13629%0.288CS..EExtended strand (participates in β ladder)trans-67.2128.1171.1-14.628.4000110.9L12 L14 V168 A169 Y170L12-P19 HydrophobicContact CB-CB 4.18Å; L12-P19 HydrophobicContact CD1-CB 3.79Å; L14-P19 HydrophobicContact CD2-CB 4.23Å; L14-P19 HydrophobicContact CD2-CG 4Å; P19-V168 WeakPolarHBondContact CB-O 3.3Å; P19-A169 CarbonylContact O-C 3.59Å; P19-A169 WeakPolarHBondContact O-CA 3.5Å; P19-Y170 PolarHBondContact O-N 2.71Å
20M98.5Very high95.5Very high0 Ų056.4 Ų56.40%030%0.295CS..EExtended strand (participates in β ladder)trans-130149.4-176.2-67-64-65.300110.7L12 K13 V15 C18 C22 V25 W28 E83 L110 Y170L12-M20 WeakPolarHBondContact CA-O 3.48Å; K13-M20 PolarHBondContact N-O 2.81Å; K13-M20 PolarHBondContact O-N 2.88Å; V15-M20 HydrophobicContact CB-CG 4.06Å; V15-M20 HydrophobicContact CG2-CB 4.25Å; V15-M20 HydrophobicContact CG2-CG 3.97Å; C18-M20 PolarHBondContact O-N 3.41Å; M20-C22 PolarHBondContact O-N 3.46Å; M20-V25 HydrophobicContact CB-CG2 3.57Å; M20-W28 HydrophobicContact CE-CH2 3.67Å; M20-W28 HydrophobicContact CE-CZ3 3.81Å; M20-W28 HydrophobicContact SD-CH2 4.44Å; M20-E83 HydrophobicContact CE-CG 4.42Å; M20-L110 HydrophobicContact CE-CD2 4.02Å; M20-Y170 HydrophobicContact CE-CD1 3.86Å; M20-Y170 HydrophobicContact CE-CE1 3.42Å; M20-Y170 VanDerWaalsContact CE-CE1 3.42Å; M20-Y170 HydrophobicContact SD-CD1 3.7Å; M20-Y170 HydrophobicContact SD-CE1 3.93Å; M20-Y170 HydrophobicContact SD-CG 4.31Å
21T97.8Very high95.5Very high1 Ų152.5 Ų52.51%0.00628%0.278CS..  trans-55.5128.9173.5-51.30000109.7A23 F24 L149 Q150T21-A23 HydrophobicContact CG2-CB 4.34Å; T21-A23 PolarHBondContact O-N 3.03Å; T21-F24 HydrophobicContact CG2-CD2 4.23Å; T21-F24 HydrophobicContact CG2-CE2 4.03Å; T21-F24 HydrophobicContact CG2-CZ 4.19Å; T21-F24 PolarHBondContact O-N 3.24Å; T21-L149 HydrophobicContact CG2-CB 3.81Å; T21-L149 WeakPolarHBondContact CG2-O 3.04Å; T21-Q150 PolarHBondContact OG1-OE1 2.82Å
22C96.6Very high95.5Very high6 Ų650 Ų504%0.04126%0.263CS..G310 helixtrans-49.8-39.5-174.61800000113.3K10 K13 M20 F24K10-C22 HydrophobicContact CB-CB 3.72Å; K13-C22 VanDerWaalsContact CE-SG 3.55Å; M20-C22 PolarHBondContact O-N 3.46Å; C22-F24 VanDerWaalsContact C-N 3.27Å; C22-F24 PolarHBondContact O-N 3.31Å
23A94.4Very high95.5Very high0 Ų054.1 Ų54.10%028%0.28CS..G310 helixtrans-57.4-37.9177.800000112.8I7 T21 T85 L86 L149I7-A23 HydrophobicContact CB-CB 4.09Å; I7-A23 HydrophobicContact CD1-CB 4.07Å; I7-A23 HydrophobicContact CG2-CB 4.41Å; T21-A23 HydrophobicContact CG2-CB 4.34Å; T21-A23 PolarHBondContact O-N 3.03Å; A23-T85 WeakPolarHBondContact O-CG2 3.39Å; A23-L86 HydrophobicContact CB-CD2 4.36Å; A23-L149 HydrophobicContact CB-CD2 4.28Å
24F95Very high95.5Very high12 Ų1250.1 Ų50.15%0.05326%0.263CS..G310 helixtrans-87-9.6-168.4-54.7-17.9000114.2T21 C22 M81 E83 M84 L149T21-F24 HydrophobicContact CG2-CD2 4.23Å; T21-F24 HydrophobicContact CG2-CE2 4.03Å; T21-F24 HydrophobicContact CG2-CZ 4.19Å; T21-F24 PolarHBondContact O-N 3.24Å; C22-F24 VanDerWaalsContact C-N 3.27Å; C22-F24 PolarHBondContact O-N 3.31Å; F24-M81 HydrophobicContact CD2-CE 3.91Å; F24-M81 HydrophobicContact CE1-CE 4.25Å; F24-M81 HydrophobicContact CE2-CE 3.38Å; F24-M81 HydrophobicContact CZ-CE 3.58Å; F24-E83 WeakPolarHBondContact CB-O 3.26Å; F24-M84 HydrophobicContact CE1-CG 4.07Å; F24-L149 HydrophobicContact CE1-CD1 4.01Å; F24-L149 HydrophobicContact CZ-CD1 4.05Å
25V92.9Very high95.5Very high26 Ų2651.6 Ų51.616%0.15827%0.266CS..G310 helixtrans-82-21.6-172.7175.50000113.2K13 V15 M20K13-V25 HydrophobicContact CB-CB 4.26Å; K13-V25 HydrophobicContact CB-CG1 4.14Å; K13-V25 HydrophobicContact CB-CG2 3.75Å; K13-V25 HydrophobicContact CD-CB 4.29Å; K13-V25 HydrophobicContact CD-CG1 4.23Å; V15-V25 HydrophobicContact CG2-CB 4.14Å; V15-V25 HydrophobicContact CG2-CG1 3.62Å; V15-V25 HydrophobicContact CG2-CG2 3.72Å; M20-V25 HydrophobicContact CB-CG2 3.57Å
26N85.8Confident95.6Very high47 Ų4751.6 Ų51.625%0.25127%0.267SS..THydrogen-bonded Turntrans-71.9136.5-176-54.7-60.3000111L2L2-N26 HydrophobicContact CD1-CB 4.33Å; L2-N26 WeakPolarHBondContact CD1-ND2 3.47Å
27N83.1Confident95.7Very high133 Ų13349 Ų4971%0.71125%0.252SS*.THydrogen-bonded Turntrans59.442-178.5-55.9-13.5000113.5E29 K30N27-E29 PolarHBondContact O-N 3.32Å; N27-E29 VanDerWaalsContact O-N 3.16Å; N27-K30 VanDerWaalsContact O-CB 3.28Å; N27-K30 WeakPolarHBondContact O-CB 3.24Å; N27-K30 PolarHBondContact O-N 3.13Å
28W94.4Very high95.8Very high23 Ų2350.5 Ų50.59%0.08725%0.251CS..Hα-helixtrans-54.5-32.4178.7-165-100.4000113.8V15 M20 K30 I31 E32 L110 L114V15-W28 HydrophobicContact CG1-CD2 3.57Å; V15-W28 HydrophobicContact CG1-CE3 4.15Å; V15-W28 HydrophobicContact CG1-CG 3.8Å; V15-W28 HydrophobicContact CG1-CH2 4.28Å; V15-W28 HydrophobicContact CG1-CZ2 3.78Å; V15-W28 HydrophobicContact CG1-CZ3 4.48Å; V15-W28 HydrophobicContact CG2-CD2 4.4Å; V15-W28 HydrophobicContact CG2-CE3 4.23Å; V15-W28 HydrophobicContact CG2-CZ3 4.44Å; M20-W28 HydrophobicContact CE-CH2 3.67Å; M20-W28 HydrophobicContact CE-CZ3 3.81Å; M20-W28 HydrophobicContact SD-CH2 4.44Å; W28-K30 PolarHBondContact O-N 2.77Å; W28-K30 VanDerWaalsContact O-N 3.15Å; W28-I31 HydrophobicContact CD2-CD1 4.04Å; W28-I31 HydrophobicContact CE3-CD1 3.45Å; W28-I31 VanDerWaalsContact CE3-CD1 3.45Å; W28-I31 HydrophobicContact CH2-CD1 4.38Å; W28-I31 HydrophobicContact CZ3-CD1 3.64Å; W28-I31 WeakPolarHBondContact O-CA 3.21Å; W28-I31 WeakPolarHBondContact O-CB 3.45Å; W28-I31 PolarHBondContact O-N 2.76Å; W28-E32 PolarHBondContact NE1-OE1 3.01Å; W28-E32 PolarHBondContact O-N 2.69Å; W28-L110 HydrophobicContact CH2-CD2 3.41Å; W28-L110 VanDerWaalsContact CH2-CD2 3.41Å; W28-L110 HydrophobicContact CZ2-CD2 3.89Å; W28-L110 HydrophobicContact CZ3-CD2 4.47Å; W28-L114 HydrophobicContact CZ2-CB 4.28Å; W28-L114 HydrophobicContact CZ2-CD1 4.13Å; W28-L114 HydrophobicContact CZ2-CD2 4.37Å
29E94.9Very high95.8Very high137 Ų13753.2 Ų53.264%0.6426%0.264SS*.Hα-helixtrans-53-35.1173-64.9177.3-177.900112.5N27 I31 E32 Q33N27-E29 PolarHBondContact O-N 3.32Å; N27-E29 VanDerWaalsContact O-N 3.16Å; E29-I31 VanDerWaalsContact C-N 3.3Å; E29-I31 PolarHBondContact O-N 2.69Å; E29-E32 PolarHBondContact O-N 3.18Å; E29-Q33 VanDerWaalsContact O-CB 3.32Å; E29-Q33 WeakPolarHBondContact O-CB 3.41Å; E29-Q33 VanDerWaalsContact O-CG 3.26Å; E29-Q33 WeakPolarHBondContact O-CG 3.22Å; E29-Q33 PolarHBondContact O-N 3.32Å
30K94.6Very high95.8Very high78 Ų7852.2 Ų52.234%0.33926%0.258SS..Hα-helixtrans-65.6-34.1176.5-167.6178.5-180178.30111.8N27 W28 F34 I94 E95N27-K30 VanDerWaalsContact O-CB 3.28Å; N27-K30 WeakPolarHBondContact O-CB 3.24Å; N27-K30 PolarHBondContact O-N 3.13Å; W28-K30 PolarHBondContact O-N 2.77Å; W28-K30 VanDerWaalsContact O-N 3.15Å; K30-F34 PolarHBondContact O-N 2.68Å; K30-I94 HydrophobicContact CB-CD1 4.4Å; K30-I94 HydrophobicContact CD-CD1 4.43Å; K30-I94 HydrophobicContact CG-CD1 3.91Å; K30-I94 HydrophobicContact CG-CG2 4.49Å; K30-I94 WeakPolarHBondContact O-CD1 3.47Å; K30-E95 IonicContact NZ-OE1 3.6Å
31I97.3Very high95.8Very high8 Ų852.8 Ų52.84%0.04126%0.261CS..Hα-helixtrans-69.9-50.8174.2-64.3162.7000109.1W28 E29 Q33 F34 E83 I94 L110 P116W28-I31 HydrophobicContact CD2-CD1 4.04Å; W28-I31 HydrophobicContact CE3-CD1 3.45Å; W28-I31 VanDerWaalsContact CE3-CD1 3.45Å; W28-I31 HydrophobicContact CH2-CD1 4.38Å; W28-I31 HydrophobicContact CZ3-CD1 3.64Å; W28-I31 WeakPolarHBondContact O-CA 3.21Å; W28-I31 WeakPolarHBondContact O-CB 3.45Å; W28-I31 PolarHBondContact O-N 2.76Å; E29-I31 VanDerWaalsContact C-N 3.3Å; E29-I31 PolarHBondContact O-N 2.69Å; I31-Q33 PolarHBondContact O-N 2.83Å; I31-F34 WeakPolarHBondContact O-CB 3.46Å; I31-F34 PolarHBondContact O-N 2.9Å; I31-E83 HydrophobicContact CD1-CB 3.8Å; I31-I94 HydrophobicContact CB-CD1 4.41Å; I31-I94 HydrophobicContact CG1-CD1 3.86Å; I31-L110 HydrophobicContact CG2-CD1 4.05Å; I31-P116 HydrophobicContact CG2-CG 4.07Å; I31-P116 WeakPolarHBondContact O-CB 3.31Å; I31-P116 WeakPolarHBondContact O-CG 3.39Å
32E97.8Very high95.9Very high82 Ų8252.8 Ų52.838%0.38326%0.261SS..Hα-helixtrans-58-36.9-179.3-68.2179.4158.100113H16 W28 E29 F34H16-E32 IonicContact CD2-OE1 2.85Å; H16-E32 IonicContact CE1-OE1 3.77Å; H16-E32 IonicContact NE2-OE1 2.86Å; H16-E32 PolarHBondContact NE2-OE1 3.01Å; W28-E32 PolarHBondContact NE1-OE1 3.01Å; W28-E32 PolarHBondContact O-N 2.69Å; E29-E32 PolarHBondContact O-N 3.18Å; E32-F34 VanDerWaalsContact C-N 3.33Å
33Q98Very high96Very high131 Ų13152.5 Ų52.561%0.61226%0.259SS*.THydrogen-bonded Turntrans-89.18.8179.3-63.5172.57.300113.6E29 I31 H35E29-Q33 VanDerWaalsContact O-CB 3.32Å; E29-Q33 WeakPolarHBondContact O-CB 3.41Å; E29-Q33 VanDerWaalsContact O-CG 3.26Å; E29-Q33 WeakPolarHBondContact O-CG 3.22Å; E29-Q33 PolarHBondContact O-N 3.32Å; I31-Q33 PolarHBondContact O-N 2.83Å; Q33-H35 PolarHBondContact O-N 3.24Å
34F98.6Very high96.2Very high7 Ų752.5 Ų52.53%0.03126%0.259CS..  trans-57.1131.8179.5177.5-98.5000111.1K30 I31 E32 L82 I94 L97 P116 S118 F119K30-F34 PolarHBondContact O-N 2.68Å; I31-F34 WeakPolarHBondContact O-CB 3.46Å; I31-F34 PolarHBondContact O-N 2.9Å; E32-F34 VanDerWaalsContact C-N 3.33Å; F34-L82 HydrophobicContact CB-CD1 4.27Å; F34-L82 HydrophobicContact CD1-CD1 3.98Å; F34-L82 HydrophobicContact CD2-CD1 3.86Å; F34-L82 HydrophobicContact CE1-CD1 4.29Å; F34-L82 HydrophobicContact CE2-CD1 4.16Å; F34-L82 HydrophobicContact CG-CD1 3.75Å; F34-L82 HydrophobicContact CZ-CD1 4.37Å; F34-I94 HydrophobicContact CD2-CB 4.39Å; F34-I94 HydrophobicContact CD2-CD1 4.36Å; F34-I94 HydrophobicContact CD2-CG1 3.91Å; F34-I94 HydrophobicContact CD2-CG2 3.91Å; F34-I94 HydrophobicContact CE2-CG1 4.45Å; F34-I94 HydrophobicContact CE2-CG2 4.25Å; F34-L97 HydrophobicContact CE2-CB 3.96Å; F34-L97 HydrophobicContact CE2-CD1 3.9Å; F34-L97 HydrophobicContact CZ-CB 4.09Å; F34-L97 HydrophobicContact CZ-CD1 3.87Å; F34-P116 HydrophobicContact CB-CB 4.16Å; F34-P116 HydrophobicContact CB-CG 4.11Å; F34-S118 VanDerWaalsContact O-CB 3.29Å; F34-S118 WeakPolarHBondContact O-CB 3.24Å; F34-S118 PolarHBondContact O-OG 3.49Å; F34-F119 HydrophobicContact CD1-CE1 4.46Å; F34-F119 AromaticContact CD1-CE2 3.65Å; F34-F119 HydrophobicContact CD1-CE2 3.65Å; F34-F119 AromaticContact CD1-CZ 3.56Å; F34-F119 HydrophobicContact CD1-CZ 3.56Å; F34-F119 AromaticContact CE1-CE1 3.98Å; F34-F119 HydrophobicContact CE1-CE1 3.98Å; F34-F119 AromaticContact CE1-CE2 3.92Å; F34-F119 HydrophobicContact CE1-CE2 3.92Å; F34-F119 AromaticContact CE1-CZ 3.31Å; F34-F119 HydrophobicContact CE1-CZ 3.31Å; F34-F119 HydrophobicContact CZ-CZ 4.38Å
35H98.5Very high96.4Very high156 Ų15651.9 Ų51.972%0.72226%0.256SS*.  trans-92.6102.1176.7-59.9108.6000110.5Q33 R104Q33-H35 PolarHBondContact O-N 3.24Å; H35-R104 PolarHBondContact O-NH2 3.44Å; H35-R104 VanDerWaalsContact O-NH2 3.12Å
36S98.8Very high96.7Very high11 Ų1150.7 Ų50.78%0.07725%0.249CC..  trans-68.4163.2168.570.30000111.1D40 S118 F119 N122S36-D40 VanDerWaalsContact CA-OD2 3.3Å; S36-D40 WeakPolarHBondContact CA-OD2 3.48Å; S36-S118 PolarHBondContact N-OG 3.2Å; S36-S118 WeakPolarHBondContact OG-CB 3.42Å; S36-S118 PolarHBondContact OG-O 3.26Å; S36-S118 PolarHBondContact OG-OG 3.38Å; S36-F119 VanDerWaalsContact CB-CD1 3.49Å; S36-F119 PolarHBondContact OG-N 3.11Å; S36-N122 PolarHBondContact O-ND2 2.85Å; S36-N122 VanDerWaalsContact O-ND2 3.09Å; S36-N122 PolarHBondContact OG-ND2 2.76Å
37R98.8Very high97.3Very high75 Ų7548.6 Ų48.628%0.28324%0.238SC..  trans-111.1149.3167.2-61.1172.1-171.5161.36108.3D39 D40 N100 S102 C124R37-D39 WeakPolarHBondContact CB-OD1 3.22Å; R37-D39 PolarHBondContact O-N 2.79Å; R37-D40 PolarHBondContact N-OD2 2.91Å; R37-D40 WeakPolarHBondContact O-CB 3.47Å; R37-D40 PolarHBondContact O-N 3.27Å; R37-N100 PolarHBondContact NH1-O 3.29Å; R37-N100 VanDerWaalsContact NH1-O 3.1Å; R37-S102 WeakPolarHBondContact CD-OG 3.16Å; R37-S102 PolarHBondContact NH1-OG 2.9Å; R37-C124 PolarHBondContact O-SG 3.39Å
38P98.7Very high98.1Very high93 Ų9343.6 Ų43.660%0.60421%0.21SC*.THydrogen-bonded Turntrans-57.3-24-179.9-2635.1000114.9N122P38-N122 HydrophobicContact CG-CB 4.45Å
39D98.8Very high98.3Very high70 Ų7042.5 Ų42.537%0.37421%0.206SC..THydrogen-bonded Turntrans-98.89.8179.572.1-28.8000113.9R37 S102 P103R37-D39 WeakPolarHBondContact CB-OD1 3.22Å; R37-D39 PolarHBondContact O-N 2.79Å; D39-S102 PolarHBondContact OD1-OG 3.01Å; D39-S102 WeakPolarHBondContact OD2-CB 3.23Å; D39-S102 PolarHBondContact OD2-OG 3.44Å; D39-P103 HydrophobicContact CB-CB 4.38Å; D39-P103 VanDerWaalsContact O-CB 3.29Å; D39-P103 WeakPolarHBondContact O-CB 3.29Å; D39-P103 WeakPolarHBondContact OD2-CA 3.23Å
40D98.9Very high98.5Very high1 Ų136.7 Ų36.71%0.00518%0.183CC..  trans-66.6141.1170.4-71.7-19000110.6S36 R37 R104 V106 F119S36-D40 VanDerWaalsContact CA-OD2 3.3Å; S36-D40 WeakPolarHBondContact CA-OD2 3.48Å; R37-D40 PolarHBondContact N-OD2 2.91Å; R37-D40 WeakPolarHBondContact O-CB 3.47Å; R37-D40 PolarHBondContact O-N 3.27Å; D40-R104 WeakPolarHBondContact CA-O 3.39Å; D40-R104 WeakPolarHBondContact OD1-CB 3.5Å; D40-R104 IonicContact OD1-CZ 3.5Å; D40-R104 IonicContact OD1-NE 3.53Å; D40-R104 PolarHBondContact OD1-NE 3.25Å; D40-R104 IonicContact OD1-NH2 2.68Å; D40-R104 PolarHBondContact OD1-NH2 3.46Å; D40-R104 IonicContact OD2-CZ 2.85Å; D40-R104 IonicContact OD2-NE 2.71Å; D40-R104 IonicContact OD2-NH2 3.89Å; D40-R104 PolarHBondContact OD2-NH2 2.77Å; D40-V106 HydrophobicContact CB-CG2 4.35Å; D40-F119 HydrophobicContact CB-CE1 4.29Å
41I98.9Very high98.7Very high12 Ų1233.3 Ų33.36%0.06217%0.169CC..EExtended strand (participates in β ladder)trans-112.8113.7174.7-63.3157.2000108.2T58 L62 R104 I105 V106 K125 I127 L212I41-T58 HydrophobicContact CG2-CG2 4.23Å; I41-L62 HydrophobicContact CD1-CD1 3.66Å; I41-L62 HydrophobicContact CD1-CD2 3.85Å; I41-L62 HydrophobicContact CD1-CG 4.3Å; I41-R104 PolarHBondContact N-O 3.06Å; I41-I105 CarbonylContact O-C 3.59Å; I41-I105 WeakPolarHBondContact O-CA 3.43Å; I41-V106 PolarHBondContact O-N 3.06Å; I41-K125 WeakPolarHBondContact CA-O 3.38Å; I41-I127 HydrophobicContact CG2-CD1 4.33Å; I41-L212 HydrophobicContact CD1-CD2 3.79Å; I41-L212 HydrophobicContact CG1-CD2 4.04Å; I41-L212 HydrophobicContact CG2-CD2 4.02Å
42V99Very high98.7Very high0 Ų033.4 Ų33.40%017%0.169CC..EExtended strand (participates in β ladder)trans-90.1126.4-179.3-174.50000110.1A44 V106 T108 F119 C124 K125 M126 I127V42-A44 HydrophobicContact CG1-CB 4.39Å; V42-V106 CarbonylContact C-O 3.55Å; V42-V106 WeakPolarHBondContact CA-O 3.38Å; V42-T108 HydrophobicContact CG1-CG2 3.92Å; V42-F119 HydrophobicContact CG2-CD1 3.4Å; V42-F119 VanDerWaalsContact CG2-CD1 3.4Å; V42-F119 HydrophobicContact CG2-CE1 3.6Å; V42-F119 HydrophobicContact CG2-CG 4.05Å; V42-F119 HydrophobicContact CG2-CZ 4.37Å; V42-C124 HydrophobicContact CG2-CB 4.43Å; V42-K125 PolarHBondContact N-O 3.41Å; V42-M126 HydrophobicContact CB-CB 4.13Å; V42-M126 HydrophobicContact CB-CG 3.87Å; V42-M126 HydrophobicContact CB-SD 4.31Å; V42-M126 HydrophobicContact CG2-CE 4.29Å; V42-M126 HydrophobicContact CG2-CG 4.24Å; V42-M126 CarbonylContact O-C 3.55Å; V42-M126 VanDerWaalsContact O-CA 3.25Å; V42-M126 WeakPolarHBondContact O-CA 3.48Å; V42-I127 PolarHBondContact O-N 3.07Å
43I98.9Very high98.8Very high0 Ų031.1 Ų31.10%016%0.157CC..EExtended strand (participates in β ladder)trans-103.6103.6168.3-63.1179.7000107.7T51 V54 S55 T58 I105 V106 K107 T108 I127I43-T51 HydrophobicContact CG2-CG2 3.93Å; I43-V54 HydrophobicContact CD1-CG1 4.49Å; I43-V54 HydrophobicContact CG2-CG1 3.51Å; I43-S55 VanDerWaalsContact CD1-CA 3.49Å; I43-T58 HydrophobicContact CD1-CG2 4.4Å; I43-I105 HydrophobicContact CD1-CG2 3.43Å; I43-I105 VanDerWaalsContact CD1-CG2 3.43Å; I43-I105 HydrophobicContact CG1-CG2 3.88Å; I43-V106 PolarHBondContact N-O 2.84Å; I43-K107 WeakPolarHBondContact O-CA 3.49Å; I43-T108 PolarHBondContact O-N 3.5Å; I43-I127 WeakPolarHBondContact CA-O 3.17Å
44A98.9Very high98.8Very high0 Ų024.9 Ų24.90%013%0.128CC..EExtended strand (participates in β ladder)trans-107.4134.8-179.200000110.7V42 T108 I127 Y128 L129 W180V42-A44 HydrophobicContact CG1-CB 4.39Å; A44-T108 WeakPolarHBondContact CA-O 3.3Å; A44-T108 HydrophobicContact CB-CG2 4.03Å; A44-I127 PolarHBondContact N-O 2.89Å; A44-Y128 HydrophobicContact CB-CD2 3.84Å; A44-Y128 HydrophobicContact CB-CE2 4.46Å; A44-Y128 VanDerWaalsContact O-CA 3.3Å; A44-Y128 WeakPolarHBondContact O-CA 3.35Å; A44-Y128 VanDerWaalsContact O-CD2 3.29Å; A44-Y128 WeakPolarHBondContact O-CD2 3.46Å; A44-L129 PolarHBondContact O-N 3.01Å; A44-L129 VanDerWaalsContact O-N 3.15Å; A44-W180 HydrophobicContact CB-CD2 4.32Å; A44-W180 HydrophobicContact CB-CE3 4.22Å; A44-W180 HydrophobicContact CB-CH2 3.3Å; A44-W180 HydrophobicContact CB-CZ2 3.41Å; A44-W180 VanDerWaalsContact CB-CZ2 3.41Å; A44-W180 HydrophobicContact CB-CZ3 3.74Å
45T98.9Very high98.8Very high0 Ų024.6 Ų24.60%013%0.127CC..  trans-152.1147.9179.654.40000110.3T51 T108 H109 L129T45-T51 HydrophobicContact CG2-CG2 4.01Å; T45-T51 WeakPolarHBondContact OG1-CB 3.43Å; T45-T51 VanDerWaalsContact OG1-CG2 3.28Å; T45-T51 WeakPolarHBondContact OG1-CG2 3.25Å; T45-T51 PolarHBondContact OG1-OG1 3.05Å; T45-T108 PolarHBondContact N-O 3.15Å; T45-H109 WeakPolarHBondContact O-CA 3.42Å; T45-H109 PolarHBondContact O-ND1 2.86Å; T45-H109 PolarHBondContact OG1-CE1 3.14Å; T45-H109 PolarHBondContact OG1-ND1 2.79Å; T45-H109 VanDerWaalsContact OG1-ND1 3.1Å; T45-L129 HydrophobicContact CG2-CB 3.75Å; T45-L129 WeakPolarHBondContact CG2-O 3.3Å
46Y98.9Very high98.9Very high0 Ų017.2 Ų17.20%09%0.093CC..SBendtrans-63.8143.6156.5-170.3-92.9000108.4K48 S49 V136 Y140 F163 V168 G171 W173 H176Y46-K48 PolarHBondContact O-N 3.09Å; Y46-S49 VanDerWaalsContact O-CB 3.28Å; Y46-S49 WeakPolarHBondContact O-CB 3.47Å; Y46-S49 PolarHBondContact O-N 3.28Å; Y46-S49 PolarHBondContact O-OG 3.49Å; Y46-V136 HydrophobicContact CD1-CG1 3.56Å; Y46-V136 HydrophobicContact CE1-CG1 3.64Å; Y46-Y140 AromaticContact CE1-CD1 3.95Å; Y46-Y140 HydrophobicContact CE1-CD1 3.95Å; Y46-Y140 HydrophobicContact CE1-CE1 4.03Å; Y46-F163 AromaticContact CE1-CE2 3.87Å; Y46-F163 HydrophobicContact CE1-CE2 3.87Å; Y46-V168 WeakPolarHBondContact OH-CG2 3.25Å; Y46-G171 WeakPolarHBondContact CE2-O 3.43Å; Y46-G171 PolarHBondContact OH-O 3.03Å; Y46-W173 HydrophobicContact CD1-CB 4.3Å; Y46-W173 AromaticContact CD1-CD1 3.59Å; Y46-W173 HydrophobicContact CD1-CG 4.35Å; Y46-W173 HydrophobicContact CD2-CB 4.29Å; Y46-W173 HydrophobicContact CE1-CB 4.06Å; Y46-W173 HydrophobicContact CE2-CB 4.05Å; Y46-W173 HydrophobicContact CG-CB 4.38Å; Y46-W173 AromaticContact CG-CD1 3.75Å; Y46-W173 HydrophobicContact CG-CG 4.43Å; Y46-H176 HydrophobicContact CD2-CB 3.68Å; Y46-H176 AromaticContact CD2-CG 3.68Å; Y46-H176 HydrophobicContact CE2-CB 4.38Å; Y46-H176 PolarHBondContact N-CE1 3.36Å; Y46-H176 VanDerWaalsContact N-CE1 3.35Å
47P98.9Very high98.9Very high4 Ų416.7 Ų16.73%0.0269%0.089CC..THydrogen-bonded Turntrans-46.6140.7-179.7-30.635.1000113.1S49 H109 Y140 Y170P47-S49 VanDerWaalsContact C-N 3.29Å; P47-S49 PolarHBondContact O-N 3.45Å; P47-H109 HydrophobicContact CG-CB 4.16Å; P47-Y140 HydrophobicContact CB-CD1 4.05Å; P47-Y140 HydrophobicContact CB-CE1 3.49Å; P47-Y140 VanDerWaalsContact CB-CE1 3.49Å; P47-Y140 HydrophobicContact CB-CE2 4.15Å; P47-Y140 HydrophobicContact CG-CE1 3.76Å; P47-Y140 WeakPolarHBondContact CG-OH 3.41Å; P47-Y170 HydrophobicContact CG-CD2 3.44Å; P47-Y170 VanDerWaalsContact CG-CD2 3.44Å; P47-Y170 HydrophobicContact CG-CE2 4.03Å; P47-Y170 HydrophobicContact CG-CG 4.03Å
48K98.8Very high98.9Very high28 Ų2813.1 Ų13.112%0.1228%0.076CC..THydrogen-bonded Turntrans69.317.2176.2-41.6-52.2-61.1-178.10116.2Y46 R131 S139 Y140 F143Y46-K48 PolarHBondContact O-N 3.09Å; K48-R131 PolarHBondContact O-NH1 3.44Å; K48-S139 WeakPolarHBondContact CE-OG 3.3Å; K48-Y140 HydrophobicContact CG-CD2 4.07Å; K48-Y140 HydrophobicContact CG-CG 3.92Å; K48-F143 HydrophobicContact CD-CB 3.78Å; K48-F143 HydrophobicContact CD-CD1 3.97Å; K48-F143 HydrophobicContact CD-CD2 4.29Å; K48-F143 HydrophobicContact CD-CG 3.76Å
49S98.9Very high98.9Very high0 Ų08.7 Ų8.70%05%0.047CC..SBendtrans-89.36.1176.7-500000114.9Y46 P47 L129Y46-S49 VanDerWaalsContact O-CB 3.28Å; Y46-S49 WeakPolarHBondContact O-CB 3.47Å; Y46-S49 PolarHBondContact O-N 3.28Å; Y46-S49 PolarHBondContact O-OG 3.49Å; P47-S49 VanDerWaalsContact C-N 3.29Å; P47-S49 PolarHBondContact O-N 3.45Å; S49-L129 WeakPolarHBondContact CB-O 3.48Å; S49-L129 VanDerWaalsContact O-CD2 3.22Å; S49-L129 WeakPolarHBondContact O-CD2 3.38Å; S49-L129 WeakPolarHBondContact O-CG 3.39Å
50G98.6Very high98.9Very high15 Ų155.4 Ų5.416%0.1553%0.029CC..SBendtrans107.120.9178.900000115.2T52 W53 V54G50-T52 PolarHBondContact O-N 3.24Å; G50-W53 VanDerWaalsContact O-CB 3.3Å; G50-W53 WeakPolarHBondContact O-CB 3.3Å; G50-W53 PolarHBondContact O-N 2.82Å; G50-V54 PolarHBondContact O-N 3.05Å; G50-V54 VanDerWaalsContact O-N 3.09Å
51T98.8Very high98.9Very high7 Ų75.3 Ų5.34%0.0433%0.029CC..Hα-helixtrans-52.3-52.4-175.9-27.80000113.1I43 T45 W53 V54 S55 K107 H109I43-T51 HydrophobicContact CG2-CG2 3.93Å; T45-T51 HydrophobicContact CG2-CG2 4.01Å; T45-T51 WeakPolarHBondContact OG1-CB 3.43Å; T45-T51 VanDerWaalsContact OG1-CG2 3.28Å; T45-T51 WeakPolarHBondContact OG1-CG2 3.25Å; T45-T51 PolarHBondContact OG1-OG1 3.05Å; T51-W53 PolarHBondContact O-N 2.82Å; T51-V54 WeakPolarHBondContact O-CG1 3.2Å; T51-V54 PolarHBondContact O-N 3.12Å; T51-S55 WeakPolarHBondContact O-CB 3.48Å; T51-S55 PolarHBondContact O-N 3.33Å; T51-S55 PolarHBondContact O-OG 2.77Å; T51-K107 HydrophobicContact CG2-CD 3.73Å; T51-K107 HydrophobicContact CG2-CG 3.69Å; T51-H109 PolarHBondContact OG1-CE1 3.36Å; T51-H109 VanDerWaalsContact OG1-CE1 3.25Å
52T98.8Very high98.9Very high9 Ų96.6 Ų6.66%0.0554%0.035CC..Hα-helixtrans-59.6-35.2179.4-55.40000112.4G50 E56 I75 M233 V239 Y241 F256 M257G50-T52 PolarHBondContact O-N 3.24Å; T52-E56 PolarHBondContact O-N 3.26Å; T52-I75 HydrophobicContact CG2-CG1 4.39Å; T52-M233 HydrophobicContact CG2-CE 4.12Å; T52-V239 HydrophobicContact CG2-CB 4.44Å; T52-V239 WeakPolarHBondContact CG2-O 3.17Å; T52-Y241 HydrophobicContact CG2-CE2 3.83Å; T52-Y241 WeakPolarHBondContact OG1-CE2 3.48Å; T52-F256 HydrophobicContact CG2-CE1 4.24Å; T52-F256 WeakPolarHBondContact OG1-CZ 3.29Å; T52-M257 HydrophobicContact CG2-CE 3.94Å
53W98.9Very high98.9Very high34 Ų348 Ų813%0.1294%0.043CC..Hα-helixtrans-67.6-51.8-179.8-175.222.4000111G50 T51 S55 E56 I57 Y194 M197 K198 T228G50-W53 VanDerWaalsContact O-CB 3.3Å; G50-W53 WeakPolarHBondContact O-CB 3.3Å; G50-W53 PolarHBondContact O-N 2.82Å; T51-W53 PolarHBondContact O-N 2.82Å; W53-S55 VanDerWaalsContact C-N 3.29Å; W53-S55 PolarHBondContact O-N 3.32Å; W53-E56 PolarHBondContact O-N 2.64Å; W53-I57 HydrophobicContact CG-CD1 4.32Å; W53-I57 WeakPolarHBondContact O-CG1 3.26Å; W53-I57 PolarHBondContact O-N 2.77Å; W53-Y194 AromaticContact CE3-CD2 3.86Å; W53-Y194 HydrophobicContact CE3-CD2 3.86Å; W53-Y194 AromaticContact CE3-CE2 3.57Å; W53-Y194 HydrophobicContact CE3-CE2 3.57Å; W53-Y194 AromaticContact CZ3-CD2 3.81Å; W53-Y194 HydrophobicContact CZ3-CD2 3.81Å; W53-Y194 AromaticContact CZ3-CE2 3.59Å; W53-Y194 HydrophobicContact CZ3-CE2 3.59Å; W53-M197 HydrophobicContact CD2-CE 4.41Å; W53-M197 HydrophobicContact CE3-CB 4.46Å; W53-M197 HydrophobicContact CE3-CE 4.49Å; W53-M197 VanDerWaalsContact CH2-C 3.47Å; W53-M197 HydrophobicContact CH2-CB 3.55Å; W53-M197 WeakPolarHBondContact CH2-O 3.34Å; W53-M197 HydrophobicContact CZ2-CB 4.32Å; W53-M197 HydrophobicContact CZ3-CB 3.62Å; W53-K198 HydrophobicContact CH2-CD 3.57Å; W53-K198 HydrophobicContact CH2-CG 3.92Å; W53-K198 HydrophobicContact CZ3-CD 3.79Å; W53-K198 HydrophobicContact CZ3-CG 3.9Å; W53-T228 PolarHBondContact NE1-O 2.81Å
54V98.9Very high98.9Very high0 Ų011.3 Ų11.30%06%0.061CC..Hα-helixtrans-69.7-27.4177.568.20000112.3I43 G50 T51 T58 I127 L129 M197 I208I43-V54 HydrophobicContact CD1-CG1 4.49Å; I43-V54 HydrophobicContact CG2-CG1 3.51Å; G50-V54 PolarHBondContact O-N 3.05Å; G50-V54 VanDerWaalsContact O-N 3.09Å; T51-V54 WeakPolarHBondContact O-CG1 3.2Å; T51-V54 PolarHBondContact O-N 3.12Å; V54-T58 WeakPolarHBondContact O-CB 3.41Å; V54-T58 PolarHBondContact O-N 3.29Å; V54-T58 PolarHBondContact O-OG1 2.95Å; V54-I127 HydrophobicContact CG2-CG2 3.99Å; V54-L129 HydrophobicContact CB-CD2 4.08Å; V54-L129 HydrophobicContact CG1-CB 4.35Å; V54-L129 HydrophobicContact CG1-CD2 3.94Å; V54-M197 HydrophobicContact CB-CE 4.49Å; V54-I208 HydrophobicContact CG2-CD1 3.98Å
55S98.9Very high98.8Very high1 Ų111.3 Ų11.31%0.0076%0.061CC..Hα-helixtrans-60.8-48.8170.1-64.60000112.6I43 T51 W53 T58 D59I43-S55 VanDerWaalsContact CD1-CA 3.49Å; T51-S55 WeakPolarHBondContact O-CB 3.48Å; T51-S55 PolarHBondContact O-N 3.33Å; T51-S55 PolarHBondContact O-OG 2.77Å; W53-S55 VanDerWaalsContact C-N 3.29Å; W53-S55 PolarHBondContact O-N 3.32Å; S55-T58 PolarHBondContact O-N 2.87Å; S55-D59 WeakPolarHBondContact O-CB 3.42Å; S55-D59 PolarHBondContact O-N 3.32Å
56E98.9Very high98.8Very high1 Ų114 Ų141%0.0058%0.075CC..Hα-helixtrans-68.8-37178.6-166.164.6-168.700112T52 W53 T58 D59 M60 I75 K78 H227 T228 M233 V239T52-E56 PolarHBondContact O-N 3.26Å; W53-E56 PolarHBondContact O-N 2.64Å; E56-T58 VanDerWaalsContact C-N 3.33Å; E56-T58 PolarHBondContact O-N 3.31Å; E56-D59 PolarHBondContact O-N 3.46Å; E56-M60 WeakPolarHBondContact O-CB 3.07Å; E56-M60 VanDerWaalsContact O-CG 3.23Å; E56-M60 WeakPolarHBondContact O-CG 3.31Å; E56-M60 PolarHBondContact O-N 3.23Å; E56-I75 WeakPolarHBondContact OE2-CD1 3.27Å; E56-K78 VanDerWaalsContact CD-NZ 3.26Å; E56-K78 IonicContact OE1-NZ 2.69Å; E56-K78 PolarHBondContact OE1-NZ 3.16Å; E56-K78 IonicContact OE2-NZ 2.77Å; E56-K78 PolarHBondContact OE2-NZ 3.4Å; E56-H227 IonicContact OE1-NE2 2.64Å; E56-T228 HydrophobicContact CB-CG2 4.27Å; E56-T228 HydrophobicContact CG-CG2 4.05Å; E56-M233 HydrophobicContact CB-CE 3.53Å; E56-M233 HydrophobicContact CB-SD 4.29Å; E56-M233 HydrophobicContact CG-CE 4Å; E56-V239 HydrophobicContact CG-CG1 4.23Å; E56-V239 VanDerWaalsContact OE2-CG1 3.3Å; E56-V239 WeakPolarHBondContact OE2-CG1 3.34Å
57I98.9Very high98.8Very high0 Ų016.2 Ų16.20%09%0.087CC..Hα-helixtrans-57.8-47.8171.8-71.6166.2000110.5W53 M60 I61 M197 I205 I208 I224 T228W53-I57 HydrophobicContact CG-CD1 4.32Å; W53-I57 WeakPolarHBondContact O-CG1 3.26Å; W53-I57 PolarHBondContact O-N 2.77Å; I57-M60 PolarHBondContact O-N 2.91Å; I57-I61 HydrophobicContact CG2-CD1 3.69Å; I57-I61 HydrophobicContact CG2-CG1 4.46Å; I57-I61 VanDerWaalsContact O-CG1 3.24Å; I57-I61 WeakPolarHBondContact O-CG1 3.38Å; I57-I61 PolarHBondContact O-N 2.65Å; I57-M197 HydrophobicContact CD1-CE 3.34Å; I57-I205 HydrophobicContact CD1-CD1 4.23Å; I57-I205 HydrophobicContact CD1-CG1 4.13Å; I57-I205 HydrophobicContact CG1-CD1 4.39Å; I57-I205 HydrophobicContact CG1-CG1 4.47Å; I57-I205 HydrophobicContact CG2-CG1 3.94Å; I57-I205 HydrophobicContact CG2-CG2 4.41Å; I57-I208 HydrophobicContact CG2-CD1 3.85Å; I57-I224 HydrophobicContact CG2-CG2 4.43Å; I57-T228 HydrophobicContact CB-CG2 4.49Å; I57-T228 HydrophobicContact CG1-CG2 3.67Å; I57-T228 WeakPolarHBondContact CG1-OG1 3.4Å
58T98.9Very high98.8Very high0 Ų022 Ų220%011%0.113CC..Hα-helixtrans-66.8-42.7-177.8-560000110.8I41 I43 V54 S55 E56 M60 I61 L62 I105 L212I41-T58 HydrophobicContact CG2-CG2 4.23Å; I43-T58 HydrophobicContact CD1-CG2 4.4Å; V54-T58 WeakPolarHBondContact O-CB 3.41Å; V54-T58 PolarHBondContact O-N 3.29Å; V54-T58 PolarHBondContact O-OG1 2.95Å; S55-T58 PolarHBondContact O-N 2.87Å; E56-T58 VanDerWaalsContact C-N 3.33Å; E56-T58 PolarHBondContact O-N 3.31Å; T58-M60 VanDerWaalsContact C-N 3.35Å; T58-M60 PolarHBondContact O-N 2.73Å; T58-I61 PolarHBondContact O-N 3.2Å; T58-L62 HydrophobicContact CG2-CD1 4.37Å; T58-L62 HydrophobicContact CG2-CG 4.47Å; T58-L62 WeakPolarHBondContact O-CG 3.23Å; T58-L62 PolarHBondContact O-N 3.26Å; T58-I105 HydrophobicContact CG2-CD1 3.81Å; T58-I105 HydrophobicContact CG2-CG1 4.12Å; T58-I105 HydrophobicContact CG2-CG2 4.23Å; T58-L212 HydrophobicContact CG2-CD1 3.92Å
59D98.9Very high98.8Very high1 Ų125.5 Ų25.51%0.00513%0.129CC..Hα-helixtrans-60.1-43.9175.6-172.353.4000112S55 E56 L62 N63 C70 R72 K78 I105S55-D59 WeakPolarHBondContact O-CB 3.42Å; S55-D59 PolarHBondContact O-N 3.32Å; E56-D59 PolarHBondContact O-N 3.46Å; D59-L62 PolarHBondContact O-N 3.09Å; D59-N63 WeakPolarHBondContact O-CB 2.87Å; D59-N63 PolarHBondContact O-N 3.29Å; D59-N63 VanDerWaalsContact O-N 3.11Å; D59-N63 PolarHBondContact O-ND2 2.75Å; D59-N63 PolarHBondContact OD1-ND2 2.9Å; D59-C70 PolarHBondContact OD2-SG 3.08Å; D59-R72 IonicContact OD1-CZ 3.37Å; D59-R72 VanDerWaalsContact OD1-CZ 3.27Å; D59-R72 IonicContact OD1-NH1 2.57Å; D59-R72 PolarHBondContact OD1-NH1 3.41Å; D59-R72 IonicContact OD1-NH2 2.76Å; D59-R72 PolarHBondContact OD1-NH2 3.33Å; D59-R72 IonicContact OD2-CZ 2.68Å; D59-R72 IonicContact OD2-NH1 2.65Å; D59-R72 PolarHBondContact OD2-NH1 2.84Å; D59-R72 VanDerWaalsContact OD2-NH1 3.13Å; D59-R72 IonicContact OD2-NH2 3.49Å; D59-K78 WeakPolarHBondContact OD2-CD 3.5Å; D59-K78 WeakPolarHBondContact OD2-CE 3.31Å; D59-K78 IonicContact OD2-NZ 2.77Å; D59-K78 PolarHBondContact OD2-NZ 2.81Å; D59-I105 HydrophobicContact CB-CD1 3.97Å
60M98.9Very high98.7Very high0 Ų025.6 Ų25.60%013%0.129CC..Hα-helixtrans-63.3-42.2175.4-73-81.4-66.500112.1E56 I57 T58 N63 D64 G65 I67 C70 I224 H227 T228E56-M60 WeakPolarHBondContact O-CB 3.07Å; E56-M60 VanDerWaalsContact O-CG 3.23Å; E56-M60 WeakPolarHBondContact O-CG 3.31Å; E56-M60 PolarHBondContact O-N 3.23Å; I57-M60 PolarHBondContact O-N 2.91Å; T58-M60 VanDerWaalsContact C-N 3.35Å; T58-M60 PolarHBondContact O-N 2.73Å; M60-N63 CarbonylContact O-C 3.32Å; M60-N63 PolarHBondContact O-N 2.98Å; M60-D64 PolarHBondContact O-N 2.84Å; M60-G65 WeakPolarHBondContact O-CA 3.3Å; M60-G65 PolarHBondContact O-N 3.28Å; M60-I67 HydrophobicContact CE-CG1 3.88Å; M60-I67 HydrophobicContact SD-CG1 4.25Å; M60-C70 VanDerWaalsContact CA-SG 3.57Å; M60-C70 HydrophobicContact CG-CB 4.47Å; M60-C70 HydrophobicContact SD-CB 3.79Å; M60-C70 PolarHBondContact SD-SG 3.37Å; M60-I224 HydrophobicContact CB-CD1 4.49Å; M60-I224 HydrophobicContact CB-CG1 4.01Å; M60-I224 HydrophobicContact CB-CG2 4.3Å; M60-I224 HydrophobicContact CE-CG1 4.04Å; M60-H227 HydrophobicContact CE-CB 3.9Å; M60-T228 HydrophobicContact CG-CG2 4.41Å
61I98.9Very high98.7Very high0 Ų029.6 Ų29.60%014%0.142CC..Hα-helixtrans-62.9-45.2177.7-70.9165.5000111.3I57 T58 N63 D64 I205 I208 I209 L212 K214 L216 I224I57-I61 HydrophobicContact CG2-CD1 3.69Å; I57-I61 HydrophobicContact CG2-CG1 4.46Å; I57-I61 VanDerWaalsContact O-CG1 3.24Å; I57-I61 WeakPolarHBondContact O-CG1 3.38Å; I57-I61 PolarHBondContact O-N 2.65Å; T58-I61 PolarHBondContact O-N 3.2Å; I61-N63 PolarHBondContact O-N 3.39Å; I61-D64 PolarHBondContact O-N 3.41Å; I61-D64 VanDerWaalsContact O-N 3.13Å; I61-I205 HydrophobicContact CD1-CG2 4.24Å; I61-I208 HydrophobicContact CD1-CB 3.98Å; I61-I208 HydrophobicContact CD1-CG2 3.54Å; I61-I209 HydrophobicContact CD1-CG1 3.79Å; I61-I209 HydrophobicContact CG1-CG1 3.93Å; I61-I209 HydrophobicContact CG2-CG1 4.26Å; I61-L212 HydrophobicContact CG2-CD1 4.04Å; I61-K214 HydrophobicContact CG2-CB 4.06Å; I61-K214 HydrophobicContact CG2-CG 3.82Å; I61-L216 HydrophobicContact CB-CD1 4.44Å; I61-L216 HydrophobicContact CG1-CD1 4.27Å; I61-L216 HydrophobicContact CG2-CD1 4.23Å; I61-I224 HydrophobicContact CG1-CD1 3.9Å
62L98.8Very high98.7Very high38 Ų3835.7 Ų35.720%0.19916%0.164CC..Hα-helixtrans-67.9-24.3-180-65.8-176.1000112.8I41 T58 D59 P103 I105 L212I41-L62 HydrophobicContact CD1-CD1 3.66Å; I41-L62 HydrophobicContact CD1-CD2 3.85Å; I41-L62 HydrophobicContact CD1-CG 4.3Å; T58-L62 HydrophobicContact CG2-CD1 4.37Å; T58-L62 HydrophobicContact CG2-CG 4.47Å; T58-L62 WeakPolarHBondContact O-CG 3.23Å; T58-L62 PolarHBondContact O-N 3.26Å; D59-L62 PolarHBondContact O-N 3.09Å; L62-P103 HydrophobicContact CD1-CG 4.35Å; L62-I105 HydrophobicContact CD1-CD1 3.82Å; L62-I105 HydrophobicContact CD1-CG1 3.64Å; L62-L212 HydrophobicContact CD2-CD1 4.37Å
63N98.8Very high98.7Very high29 Ų2935.7 Ų35.716%0.15517%0.167CC..THydrogen-bonded Turntrans-96.817.7174.2-71.1-77.3000113.3D59 M60 I61 G65 D66 K69 R72D59-N63 WeakPolarHBondContact O-CB 2.87Å; D59-N63 PolarHBondContact O-N 3.29Å; D59-N63 VanDerWaalsContact O-N 3.11Å; D59-N63 PolarHBondContact O-ND2 2.75Å; D59-N63 PolarHBondContact OD1-ND2 2.9Å; M60-N63 CarbonylContact O-C 3.32Å; M60-N63 PolarHBondContact O-N 2.98Å; I61-N63 PolarHBondContact O-N 3.39Å; N63-G65 PolarHBondContact O-N 3.2Å; N63-G65 VanDerWaalsContact O-N 3.13Å; N63-D66 WeakPolarHBondContact O-CB 3.36Å; N63-D66 PolarHBondContact O-N 2.93Å; N63-K69 HydrophobicContact CB-CB 4.04Å; N63-K69 HydrophobicContact CB-CD 4.28Å; N63-K69 WeakPolarHBondContact OD1-CB 3.45Å; N63-K69 WeakPolarHBondContact OD1-CD 3.39Å; N63-R72 PolarHBondContact ND2-NH1 2.98Å
64D98.6Very high98.7Very high71 Ų7137.3 Ų37.338%0.3817%0.174SC..THydrogen-bonded Turntrans55.831176.8-54-57.2000113.7M60 I61 D66 K214 L216M60-D64 PolarHBondContact O-N 2.84Å; I61-D64 PolarHBondContact O-N 3.41Å; I61-D64 VanDerWaalsContact O-N 3.13Å; D64-D66 VanDerWaalsContact C-N 3.33Å; D64-K214 WeakPolarHBondContact OD1-CE 3.33Å; D64-K214 IonicContact OD1-NZ 3.88Å; D64-K214 PolarHBondContact OD1-NZ 3.36Å; D64-K214 IonicContact OD2-NZ 2.69Å; D64-L216 HydrophobicContact CB-CD2 4.24Å
65G98.4Very high98.7Very high0 Ų037.3 Ų37.30%018%0.175CC..THydrogen-bonded Turntrans72.719-177.700000115M60 N63 I67 R223M60-G65 WeakPolarHBondContact O-CA 3.3Å; M60-G65 PolarHBondContact O-N 3.28Å; N63-G65 PolarHBondContact O-N 3.2Å; N63-G65 VanDerWaalsContact O-N 3.13Å; G65-I67 PolarHBondContact O-N 3.49Å; G65-R223 VanDerWaalsContact O-CD 3.3Å; G65-R223 WeakPolarHBondContact O-CD 3.48Å; G65-R223 PolarHBondContact O-NH1 2.82Å; G65-R223 VanDerWaalsContact O-NH1 3.08Å
66D98.7Very high98.7Very high57 Ų5739 Ų3931%0.30519%0.185SC..  trans-77.3103.4173.8-172.7-26.8000110.8N63 D64 E68 K69 C70N63-D66 WeakPolarHBondContact O-CB 3.36Å; N63-D66 PolarHBondContact O-N 2.93Å; D64-D66 VanDerWaalsContact C-N 3.33Å; D66-E68 VanDerWaalsContact C-N 3.29Å; D66-E68 PolarHBondContact O-N 3.3Å; D66-E68 PolarHBondContact OD1-N 3.39Å; D66-K69 HydrophobicContact CB-CB 4.16Å; D66-K69 HydrophobicContact CB-CD 3.98Å; D66-K69 HydrophobicContact CB-CG 4.13Å; D66-K69 PolarHBondContact O-N 3.43Å; D66-K69 PolarHBondContact OD1-N 3.33Å; D66-K69 VanDerWaalsContact OD1-N 3.13Å; D66-K69 WeakPolarHBondContact OD2-CD 3.33Å; D66-K69 VanDerWaalsContact OD2-CE 3.27Å; D66-K69 WeakPolarHBondContact OD2-CE 3.42Å; D66-K69 WeakPolarHBondContact OD2-CG 3.46Å; D66-K69 IonicContact OD2-NZ 3.8Å; D66-C70 PolarHBondContact O-N 3.42Å; D66-C70 VanDerWaalsContact O-N 3.14Å
67I98.5Very high98.6Very high46 Ų4642.8 Ų42.824%0.23620%0.203CC..Hα-helixtrans-63.3-34.9-178.7-65.3172.9000111.5M60 G65 C70 K71 R223M60-I67 HydrophobicContact CE-CG1 3.88Å; M60-I67 HydrophobicContact SD-CG1 4.25Å; G65-I67 PolarHBondContact O-N 3.49Å; I67-C70 CarbonylContact O-C 3.6Å; I67-C70 PolarHBondContact O-N 2.87Å; I67-C70 VanDerWaalsContact O-N 3.14Å; I67-K71 HydrophobicContact CG2-CD 4.26Å; I67-K71 HydrophobicContact CG2-CG 4.47Å; I67-K71 WeakPolarHBondContact O-CG 3.17Å; I67-K71 PolarHBondContact O-N 3.49Å; I67-R223 HydrophobicContact CD1-CG 4.07Å
68E98.6Very high98.6Very high124 Ų12443.2 Ų43.258%0.57921%0.205SC*.Hα-helixtrans-70.4-37.1-177.6-64.3-53.2123.200110.9D66 C70 K71D66-E68 VanDerWaalsContact C-N 3.29Å; D66-E68 PolarHBondContact O-N 3.3Å; D66-E68 PolarHBondContact OD1-N 3.39Å; E68-C70 VanDerWaalsContact C-N 3.31Å; E68-C70 PolarHBondContact O-N 3.4Å; E68-K71 PolarHBondContact O-N 2.57Å; E68-K71 VanDerWaalsContact O-N 3.15Å; E68-K71 IonicContact OE1-NZ 3.16Å; E68-K71 PolarHBondContact OE1-NZ 3.43Å; E68-K71 IonicContact OE2-NZ 2.82Å
69K98.4Very high98.6Very high103 Ų10343.3 Ų43.345%0.44821%0.205SC..Hα-helixtrans-64.5-35.4169-69.2-179.5-170.8170.10112.5N63 D66 K71 R72N63-K69 HydrophobicContact CB-CB 4.04Å; N63-K69 HydrophobicContact CB-CD 4.28Å; N63-K69 WeakPolarHBondContact OD1-CB 3.45Å; N63-K69 WeakPolarHBondContact OD1-CD 3.39Å; D66-K69 HydrophobicContact CB-CB 4.16Å; D66-K69 HydrophobicContact CB-CD 3.98Å; D66-K69 HydrophobicContact CB-CG 4.13Å; D66-K69 PolarHBondContact O-N 3.43Å; D66-K69 PolarHBondContact OD1-N 3.33Å; D66-K69 VanDerWaalsContact OD1-N 3.13Å; D66-K69 WeakPolarHBondContact OD2-CD 3.33Å; D66-K69 VanDerWaalsContact OD2-CE 3.27Å; D66-K69 WeakPolarHBondContact OD2-CE 3.42Å; D66-K69 WeakPolarHBondContact OD2-CG 3.46Å; D66-K69 IonicContact OD2-NZ 3.8Å; K69-K71 PolarHBondContact O-N 3.14Å; K69-R72 VanDerWaalsContact O-CB 3.3Å; K69-R72 WeakPolarHBondContact O-CB 3.32Å; K69-R72 VanDerWaalsContact O-CD 3.24Å; K69-R72 WeakPolarHBondContact O-CD 3.42Å; K69-R72 WeakPolarHBondContact O-CG 3.42Å; K69-R72 PolarHBondContact O-N 2.84Å; K69-R72 PolarHBondContact O-NH1 3.39Å
70C98.4Very high98.6Very high1 Ų143.3 Ų43.31%0.00721%0.205CC..Hα-helixtrans-71.4-16.7174.7-71.40000113.4D59 M60 D66 I67 E68 R72 K78D59-C70 PolarHBondContact OD2-SG 3.08Å; M60-C70 VanDerWaalsContact CA-SG 3.57Å; M60-C70 HydrophobicContact CG-CB 4.47Å; M60-C70 HydrophobicContact SD-CB 3.79Å; M60-C70 PolarHBondContact SD-SG 3.37Å; D66-C70 PolarHBondContact O-N 3.42Å; D66-C70 VanDerWaalsContact O-N 3.14Å; I67-C70 CarbonylContact O-C 3.6Å; I67-C70 PolarHBondContact O-N 2.87Å; I67-C70 VanDerWaalsContact O-N 3.14Å; E68-C70 VanDerWaalsContact C-N 3.31Å; E68-C70 PolarHBondContact O-N 3.4Å; C70-R72 VanDerWaalsContact C-N 3.34Å; C70-K78 WeakPolarHBondContact O-CD 3.37Å; C70-K78 WeakPolarHBondContact O-CE 3.3Å; C70-K78 PolarHBondContact O-NZ 3.15Å
71K98.6Very high98.6Very high100 Ų10044.5 Ų44.544%0.43521%0.211SC..THydrogen-bonded Turntrans-85.92.6172.9-71.7170.9-179.7167.70114.7I67 E68 K69 G73 L238I67-K71 HydrophobicContact CG2-CD 4.26Å; I67-K71 HydrophobicContact CG2-CG 4.47Å; I67-K71 WeakPolarHBondContact O-CG 3.17Å; I67-K71 PolarHBondContact O-N 3.49Å; E68-K71 PolarHBondContact O-N 2.57Å; E68-K71 VanDerWaalsContact O-N 3.15Å; E68-K71 IonicContact OE1-NZ 3.16Å; E68-K71 PolarHBondContact OE1-NZ 3.43Å; E68-K71 IonicContact OE2-NZ 2.82Å; K69-K71 PolarHBondContact O-N 3.14Å; K71-G73 PolarHBondContact O-N 3.28Å; K71-L238 HydrophobicContact CB-CD1 3.88Å; K71-L238 HydrophobicContact CG-CD1 3.89Å
72R98.4Very high98.6Very high134 Ų13444.6 Ų44.651%0.50621%0.212SC..SBendtrans-60.9-15.2-176.271.8-171.7178.6-78.60.9115.8D59 N63 K69 C70 K78D59-R72 IonicContact OD1-CZ 3.37Å; D59-R72 VanDerWaalsContact OD1-CZ 3.27Å; D59-R72 IonicContact OD1-NH1 2.57Å; D59-R72 PolarHBondContact OD1-NH1 3.41Å; D59-R72 IonicContact OD1-NH2 2.76Å; D59-R72 PolarHBondContact OD1-NH2 3.33Å; D59-R72 IonicContact OD2-CZ 2.68Å; D59-R72 IonicContact OD2-NH1 2.65Å; D59-R72 PolarHBondContact OD2-NH1 2.84Å; D59-R72 VanDerWaalsContact OD2-NH1 3.13Å; D59-R72 IonicContact OD2-NH2 3.49Å; N63-R72 PolarHBondContact ND2-NH1 2.98Å; K69-R72 VanDerWaalsContact O-CB 3.3Å; K69-R72 WeakPolarHBondContact O-CB 3.32Å; K69-R72 VanDerWaalsContact O-CD 3.24Å; K69-R72 WeakPolarHBondContact O-CD 3.42Å; K69-R72 WeakPolarHBondContact O-CG 3.42Å; K69-R72 PolarHBondContact O-N 2.84Å; K69-R72 PolarHBondContact O-NH1 3.39Å; C70-R72 VanDerWaalsContact C-N 3.34Å; R72-K78 HydrophobicContact CG-CD 4.23Å; R72-K78 HydrophobicContact CG-CG 4.32Å
73G98.1Very high98.6Very high10 Ų1042.9 Ų42.910%0.10320%0.202CC..SBendtrans178.9176.4-179.500000112.6K71 K78K71-G73 PolarHBondContact O-N 3.28Å; G73-K78 WeakPolarHBondContact O-CD 3.25Å
74F98.8Very high98.5Very high67 Ų6743.1 Ų43.129%0.29420%0.203SC..  trans-69.9154.5177.5-64.3-76.7000111.3T76 E77 K78 L238 H243F74-T76 PolarHBondContact O-N 3.41Å; F74-E77 PolarHBondContact N-OE2 3.43Å; F74-E77 WeakPolarHBondContact O-CA 3.35Å; F74-E77 WeakPolarHBondContact O-CB 3.5Å; F74-E77 PolarHBondContact O-N 3.24Å; F74-K78 PolarHBondContact O-N 3.4Å; F74-L238 HydrophobicContact CD1-CD2 3.91Å; F74-L238 HydrophobicContact CE1-CD2 3.8Å; F74-L238 HydrophobicContact CZ-CD2 4.43Å; F74-H243 HydrophobicContact CD1-CB 3.5Å; F74-H243 VanDerWaalsContact CD1-CB 3.5Å; F74-H243 AromaticContact CD1-CD2 3.5Å; F74-H243 VanDerWaalsContact CD1-CD2 3.5Å; F74-H243 WeakPolarHBondContact CD1-CD2 3.39Å; F74-H243 AromaticContact CD1-CG 3.33Å; F74-H243 AromaticContact CD1-ND1 3.88Å; F74-H243 AromaticContact CD2-CD2 3.8Å; F74-H243 HydrophobicContact CE1-CB 3.27Å; F74-H243 AromaticContact CE1-CG 3.72Å; F74-H243 HydrophobicContact CE2-CB 4.36Å; F74-H243 HydrophobicContact CG-CB 4.18Å; F74-H243 AromaticContact CG-CD2 3.34Å; F74-H243 WeakPolarHBondContact CG-CD2 3.34Å; F74-H243 AromaticContact CG-CG 3.73Å; F74-H243 AromaticContact CG-NE2 3.79Å; F74-H243 HydrophobicContact CZ-CB 3.75Å
75I98.8Very high98.2Very high1 Ų141.2 Ų41.21%0.00519%0.194CC..Hα-helixtrans-56-29179.1-165.161.3000112.9T52 E56 E77 V79 L238 V239 Y241T52-I75 HydrophobicContact CG2-CG1 4.39Å; E56-I75 WeakPolarHBondContact OE2-CD1 3.27Å; I75-E77 VanDerWaalsContact C-N 3.26Å; I75-E77 PolarHBondContact O-N 3.01Å; I75-V79 HydrophobicContact CD1-CB 4.21Å; I75-V79 HydrophobicContact CD1-CG2 3.92Å; I75-V79 CarbonylContact O-C 3.55Å; I75-V79 WeakPolarHBondContact O-CA 3.41Å; I75-V79 PolarHBondContact O-N 3.12Å; I75-L238 PolarHBondContact N-O 3.44Å; I75-V239 HydrophobicContact CB-CG1 4.27Å; I75-Y241 HydrophobicContact CG2-CD2 4.37Å; I75-Y241 HydrophobicContact CG2-CE1 4.3Å; I75-Y241 HydrophobicContact CG2-CE2 3.77Å
76T98.4Very high97.8Very high36 Ų3641.5 Ų41.522%0.22120%0.195CC..Hα-helixtrans-69.1-21.717649.40000113.9F74 Y241 H243 L244F74-T76 PolarHBondContact O-N 3.41Å; T76-Y241 HydrophobicContact CG2-CD1 4.42Å; T76-Y241 HydrophobicContact CG2-CE1 3.83Å; T76-H243 PolarHBondContact OG1-NE2 3.04Å; T76-L244 HydrophobicContact CG2-CD2 4.5Å
77E98.6Very high97.1Very high81 Ų8140.3 Ų40.338%0.37919%0.191SC..Hα-helixtrans-94.6-44175.5-66.2158.6-160.900110.6F74 I75 P80 N100F74-E77 PolarHBondContact N-OE2 3.43Å; F74-E77 WeakPolarHBondContact O-CA 3.35Å; F74-E77 WeakPolarHBondContact O-CB 3.5Å; F74-E77 PolarHBondContact O-N 3.24Å; I75-E77 VanDerWaalsContact C-N 3.26Å; I75-E77 PolarHBondContact O-N 3.01Å; E77-P80 WeakPolarHBondContact O-CG 3.21Å; E77-N100 PolarHBondContact O-ND2 3.43Å
78K98.7Very high96.4Very high9 Ų941.8 Ų41.84%0.03922%0.218CC..Hα-helixtrans-65.1-43.4179.4-60.7-168.2-57.21620112.3E56 D59 C70 R72 G73 F74E56-K78 VanDerWaalsContact CD-NZ 3.26Å; E56-K78 IonicContact OE1-NZ 2.69Å; E56-K78 PolarHBondContact OE1-NZ 3.16Å; E56-K78 IonicContact OE2-NZ 2.77Å; E56-K78 PolarHBondContact OE2-NZ 3.4Å; D59-K78 WeakPolarHBondContact OD2-CD 3.5Å; D59-K78 WeakPolarHBondContact OD2-CE 3.31Å; D59-K78 IonicContact OD2-NZ 2.77Å; D59-K78 PolarHBondContact OD2-NZ 2.81Å; C70-K78 WeakPolarHBondContact O-CD 3.37Å; C70-K78 WeakPolarHBondContact O-CE 3.3Å; C70-K78 PolarHBondContact O-NZ 3.15Å; R72-K78 HydrophobicContact CG-CD 4.23Å; R72-K78 HydrophobicContact CG-CG 4.32Å; G73-K78 WeakPolarHBondContact O-CD 3.25Å; F74-K78 PolarHBondContact O-N 3.4Å
79V98.8Very high95.9Very high2 Ų238.2 Ų38.21%0.01220%0.202CC..SBendtrans-132.876-176.8-169.80000109.6I75 I105 K107I75-V79 HydrophobicContact CD1-CB 4.21Å; I75-V79 HydrophobicContact CD1-CG2 3.92Å; I75-V79 CarbonylContact O-C 3.55Å; I75-V79 WeakPolarHBondContact O-CA 3.41Å; I75-V79 PolarHBondContact O-N 3.12Å; V79-I105 HydrophobicContact CB-CB 4.41Å; V79-I105 HydrophobicContact CB-CG2 4.39Å; V79-I105 HydrophobicContact CG1-CB 3.88Å; V79-I105 HydrophobicContact CG1-CG2 3.47Å; V79-I105 VanDerWaalsContact CG1-CG2 3.47Å; V79-I105 HydrophobicContact CG2-CB 3.97Å; V79-I105 HydrophobicContact CG2-CD1 3.96Å; V79-I105 HydrophobicContact CG2-CG2 4.09Å; V79-K107 HydrophobicContact CG1-CB 3.97Å
80P98.8Very high95.5Very high1 Ų138.4 Ų38.41%0.00620%0.2CC..  trans-65.6144-173.8-17.932000111.7E77 L82 Q96 L97 N100 K107E77-P80 WeakPolarHBondContact O-CG 3.21Å; P80-L82 PolarHBondContact O-N 3.3Å; P80-Q96 HydrophobicContact CB-CB 4.02Å; P80-Q96 HydrophobicContact CB-CG 4.04Å; P80-Q96 HydrophobicContact CG-CB 3.89Å; P80-Q96 HydrophobicContact CG-CG 3.45Å; P80-Q96 VanDerWaalsContact CG-CG 3.45Å; P80-L97 HydrophobicContact CB-CD2 4.17Å; P80-L97 HydrophobicContact CB-CG 3.94Å; P80-L97 HydrophobicContact CG-CD2 3.9Å; P80-L97 HydrophobicContact CG-CG 4.03Å; P80-N100 WeakPolarHBondContact CG-ND2 3.23Å; P80-K107 PolarHBondContact O-N 3.32Å
81M98.8Very high95.3Very high25 Ų2541.1 Ų41.112%0.12322%0.216CC..BIsolated β-bridgetrans-83.9112.2173.4-17817511100109.4F24 E83 M84 G93 K107 Y170F24-M81 HydrophobicContact CD2-CE 3.91Å; F24-M81 HydrophobicContact CE1-CE 4.25Å; F24-M81 HydrophobicContact CE2-CE 3.38Å; F24-M81 HydrophobicContact CZ-CE 3.58Å; M81-E83 HydrophobicContact CE-CG 4.13Å; M81-E83 PolarHBondContact O-N 2.88Å; M81-M84 HydrophobicContact CB-CB 3.92Å; M81-M84 HydrophobicContact CE-CB 3.65Å; M81-M84 HydrophobicContact CE-CG 4.16Å; M81-M84 HydrophobicContact CG-CB 4.14Å; M81-M84 VanDerWaalsContact O-CB 3.23Å; M81-M84 WeakPolarHBondContact O-CB 3.47Å; M81-M84 PolarHBondContact O-N 3.36Å; M81-M84 HydrophobicContact SD-CB 4.45Å; M81-G93 VanDerWaalsContact O-CA 3.28Å; M81-G93 WeakPolarHBondContact O-CA 3.49Å; M81-K107 CarbonylContact C-O 3.54Å; M81-K107 WeakPolarHBondContact CA-O 3.42Å; M81-K107 HydrophobicContact CB-CB 4.49Å; M81-K107 HydrophobicContact CB-CD 4.06Å; M81-K107 HydrophobicContact CB-CG 4.12Å; M81-K107 HydrophobicContact CG-CD 4.34Å; M81-K107 HydrophobicContact CG-CG 4.18Å; M81-Y170 WeakPolarHBondContact CE-OH 3.49Å
82L98.7Very high95.2Very high2 Ų236.9 Ų36.91%0.0120%0.199CC..THydrogen-bonded Turntrans-46.2-55.6-171.8174.868.1000113.2F34 P80 M84 I94 L97 V106 K107 L110 P116 F119F34-L82 HydrophobicContact CB-CD1 4.27Å; F34-L82 HydrophobicContact CD1-CD1 3.98Å; F34-L82 HydrophobicContact CD2-CD1 3.86Å; F34-L82 HydrophobicContact CE1-CD1 4.29Å; F34-L82 HydrophobicContact CE2-CD1 4.16Å; F34-L82 HydrophobicContact CG-CD1 3.75Å; F34-L82 HydrophobicContact CZ-CD1 4.37Å; P80-L82 PolarHBondContact O-N 3.3Å; L82-M84 VanDerWaalsContact C-N 3.25Å; L82-M84 PolarHBondContact O-N 2.9Å; L82-I94 HydrophobicContact CD1-CG1 4Å; L82-L97 HydrophobicContact CB-CD1 4.49Å; L82-L97 HydrophobicContact CD1-CD1 3.9Å; L82-V106 HydrophobicContact CB-CG1 3.98Å; L82-K107 PolarHBondContact N-O 3.32Å; L82-L110 HydrophobicContact CD2-CD1 4.04Å; L82-P116 HydrophobicContact CD2-CG 3.82Å; L82-F119 HydrophobicContact CD2-CE2 3.86Å; L82-F119 HydrophobicContact CD2-CZ 4.48Å
83E98.3Very high95.1Very high2 Ų230.5 Ų30.51%0.00918%0.175CC..THydrogen-bonded Turntrans-82.13.2-174.870-82.5-168.800114.2M20 F24 I31 M81 T85 T108 H109 L110 Y170M20-E83 HydrophobicContact CE-CG 4.42Å; F24-E83 WeakPolarHBondContact CB-O 3.26Å; I31-E83 HydrophobicContact CD1-CB 3.8Å; M81-E83 HydrophobicContact CE-CG 4.13Å; M81-E83 PolarHBondContact O-N 2.88Å; E83-T85 PolarHBondContact O-N 3.31Å; E83-T108 WeakPolarHBondContact OE2-CB 3.29Å; E83-T108 PolarHBondContact OE2-OG1 3.09Å; E83-H109 PolarHBondContact OE1-N 3.19Å; E83-L110 HydrophobicContact CB-CD1 4.45Å; E83-L110 HydrophobicContact CB-CD2 4.2Å; E83-L110 HydrophobicContact CB-CG 4.45Å; E83-L110 HydrophobicContact CG-CD2 4.14Å; E83-L110 HydrophobicContact CG-CG 4.41Å; E83-Y170 HydrophobicContact CG-CE1 4.15Å; E83-Y170 WeakPolarHBondContact CG-OH 3.48Å; E83-Y170 VanDerWaalsContact OE1-CE1 3.28Å; E83-Y170 WeakPolarHBondContact OE1-CE1 3.44Å; E83-Y170 PolarHBondContact OE1-OH 3.12Å
84M96.4Very high95.1Very high34 Ų3430.3 Ų30.317%0.16717%0.172CC..  trans-75.7128-178.9-170.4-83.8-6700111.2F24 M81 L82 L86 T91 S92 G93F24-M84 HydrophobicContact CE1-CG 4.07Å; M81-M84 HydrophobicContact CB-CB 3.92Å; M81-M84 HydrophobicContact CE-CB 3.65Å; M81-M84 HydrophobicContact CE-CG 4.16Å; M81-M84 HydrophobicContact CG-CB 4.14Å; M81-M84 VanDerWaalsContact O-CB 3.23Å; M81-M84 WeakPolarHBondContact O-CB 3.47Å; M81-M84 PolarHBondContact O-N 3.36Å; M81-M84 HydrophobicContact SD-CB 4.45Å; L82-M84 VanDerWaalsContact C-N 3.25Å; L82-M84 PolarHBondContact O-N 2.9Å; M84-L86 HydrophobicContact SD-CB 4.29Å; M84-L86 HydrophobicContact SD-CD1 4.08Å; M84-L86 HydrophobicContact SD-CG 3.9Å; M84-T91 WeakPolarHBondContact CE-O 3.5Å; M84-S92 WeakPolarHBondContact O-CA 3.48Å; M84-G93 PolarHBondContact O-N 3.27Å
85T93.1Very high95Very high30 Ų3030.9 Ų30.918%0.18418%0.175CC..  trans-139.4136.6165.2-176.10000110.9A23 E83A23-T85 WeakPolarHBondContact O-CG2 3.39Å; E83-T85 PolarHBondContact O-N 3.31Å
86L90.4Very high95Very high6 Ų632.5 Ų32.53%0.03118%0.183CC..BIsolated β-bridgetrans-137.874.6177.4-74.2177.1000109.1I7 A23 M84 G88 L89 R90 L149 V248I7-L86 HydrophobicContact CD1-CD2 3.79Å; A23-L86 HydrophobicContact CB-CD2 4.36Å; M84-L86 HydrophobicContact SD-CB 4.29Å; M84-L86 HydrophobicContact SD-CD1 4.08Å; M84-L86 HydrophobicContact SD-CG 3.9Å; L86-G88 PolarHBondContact O-N 3.35Å; L86-L89 HydrophobicContact CB-CB 4.2Å; L86-L89 PolarHBondContact O-N 2.89Å; L86-R90 HydrophobicContact CB-CB 4.15Å; L86-R90 HydrophobicContact CD1-CB 4.41Å; L86-R90 HydrophobicContact CD1-CG 4.24Å; L86-R90 PolarHBondContact O-N 2.98Å; L86-L149 HydrophobicContact CD1-CD1 4.5Å; L86-L149 HydrophobicContact CD2-CD1 3.74Å; L86-L149 HydrophobicContact CD2-CD2 3.51Å; L86-L149 HydrophobicContact CD2-CG 4.27Å; L86-V248 HydrophobicContact CD1-CG1 4.24Å; L86-V248 HydrophobicContact CD1-CG2 4.1Å
87P84.3Confident95Very high33 Ų3330.8 Ų30.821%0.21417%0.172CC..THydrogen-bonded Turntrans-52.7130.1-172.8-2735.5000112.5L2 L89L2-P87 HydrophobicContact CD1-CG 4.48Å; P87-L89 PolarHBondContact O-N 3.5Å
88G83.3Confident95Very high77 Ų7732.3 Ų32.379%0.79418%0.18SC*.THydrogen-bonded Turntrans73.6-2179.600000115.7L86L86-G88 PolarHBondContact O-N 3.35Å
89L87.3Confident95Very high48 Ų4838.5 Ų38.525%0.25121%0.206SC..THydrogen-bonded Turntrans-117.5-42.5-178.9-78158.4000112.7P4 L86 P87 T247P4-L89 HydrophobicContact CB-CD1 4.08Å; P4-L89 HydrophobicContact CG-CD1 3.98Å; P4-L89 HydrophobicContact CG-CG 4.3Å; L86-L89 HydrophobicContact CB-CB 4.2Å; L86-L89 PolarHBondContact O-N 2.89Å; P87-L89 PolarHBondContact O-N 3.5Å; L89-T247 HydrophobicContact CD2-CG2 4.43Å
90R90.9Very high95Very high108 Ų10839.4 Ų39.441%0.40821%0.211SC..BIsolated β-bridgetrans-144.1152.4179.2-66.3-66-173.8-148.78110.6L86 H243L86-R90 HydrophobicContact CB-CB 4.15Å; L86-R90 HydrophobicContact CD1-CB 4.41Å; L86-R90 HydrophobicContact CD1-CG 4.24Å; L86-R90 PolarHBondContact O-N 2.98Å; R90-H243 PolarHBondContact NH2-O 2.68Å
91T94.1Very high95Very high57 Ų5744.4 Ų44.435%0.3524%0.244SC..  trans-56.9135.9165.5-57.70000109.3M84 E95 Q96M84-T91 WeakPolarHBondContact CE-O 3.5Å; T91-E95 HydrophobicContact CG2-CB 3.52Å; T91-Q96 HydrophobicContact CG2-CB 4.32Å
92S95.8Very high95Very high11 Ų1145.7 Ų45.78%0.07726%0.255CS..  trans-66.8159.8177.662.90000111.5M84 I94 E95 Q96M84-S92 WeakPolarHBondContact O-CA 3.48Å; S92-I94 VanDerWaalsContact C-N 3.31Å; S92-I94 PolarHBondContact O-N 3.31Å; S92-E95 PolarHBondContact N-OE2 2.78Å; S92-E95 PolarHBondContact O-N 3.1Å; S92-E95 WeakPolarHBondContact OG-CB 3.38Å; S92-E95 WeakPolarHBondContact OG-CG 3.43Å; S92-E95 PolarHBondContact OG-N 3.07Å; S92-E95 PolarHBondContact OG-OE2 3.27Å; S92-Q96 PolarHBondContact O-N 3.46Å
93G97.4Very high94.9Very high0 Ų048.8 Ų48.80%028%0.275CS..Hα-helixtrans-54.7-46.917700000112.7M81 M84 Q96 L97M81-G93 VanDerWaalsContact O-CA 3.28Å; M81-G93 WeakPolarHBondContact O-CA 3.49Å; M84-G93 PolarHBondContact O-N 3.27Å; G93-Q96 PolarHBondContact O-N 3.31Å; G93-L97 VanDerWaalsContact O-CG 3.27Å; G93-L97 WeakPolarHBondContact O-CG 3.42Å; G93-L97 PolarHBondContact O-N 2.87Å
94I97.9Very high95Very high7 Ų749 Ų494%0.03628%0.276CS..Hα-helixtrans-62.4-48.4179-66.4174.7000111.8K30 I31 F34 L82 S92 Q96 L97 E98K30-I94 HydrophobicContact CB-CD1 4.4Å; K30-I94 HydrophobicContact CD-CD1 4.43Å; K30-I94 HydrophobicContact CG-CD1 3.91Å; K30-I94 HydrophobicContact CG-CG2 4.49Å; K30-I94 WeakPolarHBondContact O-CD1 3.47Å; I31-I94 HydrophobicContact CB-CD1 4.41Å; I31-I94 HydrophobicContact CG1-CD1 3.86Å; F34-I94 HydrophobicContact CD2-CB 4.39Å; F34-I94 HydrophobicContact CD2-CD1 4.36Å; F34-I94 HydrophobicContact CD2-CG1 3.91Å; F34-I94 HydrophobicContact CD2-CG2 3.91Å; F34-I94 HydrophobicContact CE2-CG1 4.45Å; F34-I94 HydrophobicContact CE2-CG2 4.25Å; L82-I94 HydrophobicContact CD1-CG1 4Å; S92-I94 VanDerWaalsContact C-N 3.31Å; S92-I94 PolarHBondContact O-N 3.31Å; I94-Q96 PolarHBondContact O-N 2.9Å; I94-L97 WeakPolarHBondContact O-CB 3.49Å; I94-L97 PolarHBondContact O-N 3.35Å; I94-L97 VanDerWaalsContact O-N 3.08Å; I94-E98 HydrophobicContact CG2-CG 4.46Å; I94-E98 WeakPolarHBondContact CG2-OE1 3.26Å; I94-E98 WeakPolarHBondContact O-CG 3.35Å; I94-E98 PolarHBondContact O-N 2.81Å
95E97.1Very high95.1Very high78 Ų7847.7 Ų47.736%0.36427%0.27SS..Hα-helixtrans-62-32.5178.5-73.5160.7174.800112.1K30 T91 S92 K99K30-E95 IonicContact NZ-OE1 3.6Å; T91-E95 HydrophobicContact CG2-CB 3.52Å; S92-E95 PolarHBondContact N-OE2 2.78Å; S92-E95 PolarHBondContact O-N 3.1Å; S92-E95 WeakPolarHBondContact OG-CB 3.38Å; S92-E95 WeakPolarHBondContact OG-CG 3.43Å; S92-E95 PolarHBondContact OG-N 3.07Å; S92-E95 PolarHBondContact OG-OE2 3.27Å; E95-K99 WeakPolarHBondContact O-CG 3.49Å
96Q98.4Very high95.4Very high35 Ų3546.2 Ų46.216%0.16426%0.261CS..Hα-helixtrans-71.8-42173.5-172.16145.900111.4P80 T91 S92 G93 I94 E98 K99 N100P80-Q96 HydrophobicContact CB-CB 4.02Å; P80-Q96 HydrophobicContact CB-CG 4.04Å; P80-Q96 HydrophobicContact CG-CB 3.89Å; P80-Q96 HydrophobicContact CG-CG 3.45Å; P80-Q96 VanDerWaalsContact CG-CG 3.45Å; T91-Q96 HydrophobicContact CG2-CB 4.32Å; S92-Q96 PolarHBondContact O-N 3.46Å; G93-Q96 PolarHBondContact O-N 3.31Å; I94-Q96 PolarHBondContact O-N 2.9Å; Q96-E98 VanDerWaalsContact C-N 3.3Å; Q96-E98 PolarHBondContact O-N 3.19Å; Q96-K99 PolarHBondContact O-N 3.26Å; Q96-K99 VanDerWaalsContact O-N 3.12Å; Q96-N100 PolarHBondContact NE2-OD1 3.28Å; Q96-N100 PolarHBondContact O-N 3.43Å; Q96-N100 PolarHBondContact O-OD1 2.93Å; Q96-N100 VanDerWaalsContact O-OD1 3.1Å
97L98.7Very high95.8Very high0 Ų046.8 Ų46.80%026%0.263CS..Hα-helixtrans-62.7-33.6176.6-73.8165.6000113.1F34 P80 L82 G93 I94 K99 N100 R104 V106F34-L97 HydrophobicContact CE2-CB 3.96Å; F34-L97 HydrophobicContact CE2-CD1 3.9Å; F34-L97 HydrophobicContact CZ-CB 4.09Å; F34-L97 HydrophobicContact CZ-CD1 3.87Å; P80-L97 HydrophobicContact CB-CD2 4.17Å; P80-L97 HydrophobicContact CB-CG 3.94Å; P80-L97 HydrophobicContact CG-CD2 3.9Å; P80-L97 HydrophobicContact CG-CG 4.03Å; L82-L97 HydrophobicContact CB-CD1 4.49Å; L82-L97 HydrophobicContact CD1-CD1 3.9Å; G93-L97 VanDerWaalsContact O-CG 3.27Å; G93-L97 WeakPolarHBondContact O-CG 3.42Å; G93-L97 PolarHBondContact O-N 2.87Å; I94-L97 WeakPolarHBondContact O-CB 3.49Å; I94-L97 PolarHBondContact O-N 3.35Å; I94-L97 VanDerWaalsContact O-N 3.08Å; L97-K99 VanDerWaalsContact C-N 3.3Å; L97-N100 PolarHBondContact O-N 3.43Å; L97-R104 WeakPolarHBondContact O-CD 3.24Å; L97-R104 PolarHBondContact O-NH1 3.32Å; L97-V106 HydrophobicContact CD1-CG1 3.9Å; L97-V106 HydrophobicContact CD2-CB 4.4Å; L97-V106 HydrophobicContact CD2-CG1 4.37Å; L97-V106 HydrophobicContact CD2-CG2 3.8Å
98E98.1Very high96.5Very high114 Ų11445.2 Ų45.253%0.53325%0.253SS..Hα-helixtrans-66.2-33174.7-73.5169.7-177.800112I94 Q96I94-E98 HydrophobicContact CG2-CG 4.46Å; I94-E98 WeakPolarHBondContact CG2-OE1 3.26Å; I94-E98 WeakPolarHBondContact O-CG 3.35Å; I94-E98 PolarHBondContact O-N 2.81Å; Q96-E98 VanDerWaalsContact C-N 3.3Å; Q96-E98 PolarHBondContact O-N 3.19Å
99K98.3Very high97.2Very high138 Ų13842.2 Ų42.260%0.622%0.218SC*.Hα-helixtrans-79.7-25.7176.6-64.7171-169.9177.70113.4E95 Q96 L97E95-K99 WeakPolarHBondContact O-CG 3.49Å; Q96-K99 PolarHBondContact O-N 3.26Å; Q96-K99 VanDerWaalsContact O-N 3.12Å; L97-K99 VanDerWaalsContact C-N 3.3Å
100N98.6Very high97.8Very high21 Ų2140 Ų4011%0.11221%0.206CC..SBendtrans-72.2137.4-173.8-77.39.1000111.9R37 E77 P80 Q96 L97 R104R37-N100 PolarHBondContact NH1-O 3.29Å; R37-N100 VanDerWaalsContact NH1-O 3.1Å; E77-N100 PolarHBondContact O-ND2 3.43Å; P80-N100 WeakPolarHBondContact CG-ND2 3.23Å; Q96-N100 PolarHBondContact NE2-OD1 3.28Å; Q96-N100 PolarHBondContact O-N 3.43Å; Q96-N100 PolarHBondContact O-OD1 2.93Å; Q96-N100 VanDerWaalsContact O-OD1 3.1Å; L97-N100 PolarHBondContact O-N 3.43Å; N100-R104 HydrophobicContact CB-CG 4.25Å
101P98.4Very high98.2Very high106 Ų10635.5 Ų35.569%0.68819%0.191SC*.PPolyproline II helixtrans-68.4152.9173.631.1-35.2000110.6R104P101-R104 WeakPolarHBondContact O-CG 3.44Å
102S98.7Very high98.4Very high53 Ų5333.5 Ų33.537%0.37118%0.179SC..SBendtrans-75.5149.5170.1-95.40000111.4R37 D39R37-S102 WeakPolarHBondContact CD-OG 3.16Å; R37-S102 PolarHBondContact NH1-OG 2.9Å; D39-S102 PolarHBondContact OD1-OG 3.01Å; D39-S102 WeakPolarHBondContact OD2-CB 3.23Å; D39-S102 PolarHBondContact OD2-OG 3.44Å
103P98.6Very high98.5Very high66 Ų6638.2 Ų38.243%0.42920%0.204SC..SBendcis-71.7134.8-8.129.7-34.5000111.5D39 L62D39-P103 HydrophobicContact CB-CB 4.38Å; D39-P103 VanDerWaalsContact O-CB 3.29Å; D39-P103 WeakPolarHBondContact O-CB 3.29Å; D39-P103 WeakPolarHBondContact OD2-CA 3.23Å; L62-P103 HydrophobicContact CD1-CG 4.35Å
104R98.9Very high98.5Very high7 Ų738.7 Ų38.73%0.02621%0.206CC..PPolyproline II helixtrans-90.3139.2-179.8-53.5-179.4-68.3-174.62.6110.2H35 D40 I41 L97 N100 P101H35-R104 PolarHBondContact O-NH2 3.44Å; H35-R104 VanDerWaalsContact O-NH2 3.12Å; D40-R104 WeakPolarHBondContact CA-O 3.39Å; D40-R104 WeakPolarHBondContact OD1-CB 3.5Å; D40-R104 IonicContact OD1-CZ 3.5Å; D40-R104 IonicContact OD1-NE 3.53Å; D40-R104 PolarHBondContact OD1-NE 3.25Å; D40-R104 IonicContact OD1-NH2 2.68Å; D40-R104 PolarHBondContact OD1-NH2 3.46Å; D40-R104 IonicContact OD2-CZ 2.85Å; D40-R104 IonicContact OD2-NE 2.71Å; D40-R104 IonicContact OD2-NH2 3.89Å; D40-R104 PolarHBondContact OD2-NH2 2.77Å; I41-R104 PolarHBondContact N-O 3.06Å; L97-R104 WeakPolarHBondContact O-CD 3.24Å; L97-R104 PolarHBondContact O-NH1 3.32Å; N100-R104 HydrophobicContact CB-CG 4.25Å; P101-R104 WeakPolarHBondContact O-CG 3.44Å
105I98.9Very high98.6Very high6 Ų638.7 Ų38.73%0.03121%0.206CC..EExtended strand (participates in β ladder)trans-95123.8165.6-46.9169000108I41 I43 T58 D59 L62 V79I41-I105 CarbonylContact O-C 3.59Å; I41-I105 WeakPolarHBondContact O-CA 3.43Å; I43-I105 HydrophobicContact CD1-CG2 3.43Å; I43-I105 VanDerWaalsContact CD1-CG2 3.43Å; I43-I105 HydrophobicContact CG1-CG2 3.88Å; T58-I105 HydrophobicContact CG2-CD1 3.81Å; T58-I105 HydrophobicContact CG2-CG1 4.12Å; T58-I105 HydrophobicContact CG2-CG2 4.23Å; D59-I105 HydrophobicContact CB-CD1 3.97Å; L62-I105 HydrophobicContact CD1-CD1 3.82Å; L62-I105 HydrophobicContact CD1-CG1 3.64Å; V79-I105 HydrophobicContact CB-CB 4.41Å; V79-I105 HydrophobicContact CB-CG2 4.39Å; V79-I105 HydrophobicContact CG1-CB 3.88Å; V79-I105 HydrophobicContact CG1-CG2 3.47Å; V79-I105 VanDerWaalsContact CG1-CG2 3.47Å; V79-I105 HydrophobicContact CG2-CB 3.97Å; V79-I105 HydrophobicContact CG2-CD1 3.96Å; V79-I105 HydrophobicContact CG2-CG2 4.09Å
106V98.9Very high98.7Very high0 Ų035.1 Ų35.10%019%0.189CC..EExtended strand (participates in β ladder)trans-112.4117-177.4-172.40000109.5D40 I41 V42 I43 L82 L97 F119D40-V106 HydrophobicContact CB-CG2 4.35Å; I41-V106 PolarHBondContact O-N 3.06Å; V42-V106 CarbonylContact C-O 3.55Å; V42-V106 WeakPolarHBondContact CA-O 3.38Å; I43-V106 PolarHBondContact N-O 2.84Å; L82-V106 HydrophobicContact CB-CG1 3.98Å; L97-V106 HydrophobicContact CD1-CG1 3.9Å; L97-V106 HydrophobicContact CD2-CB 4.4Å; L97-V106 HydrophobicContact CD2-CG1 4.37Å; L97-V106 HydrophobicContact CD2-CG2 3.8Å; V106-F119 HydrophobicContact CB-CE1 4.49Å; V106-F119 HydrophobicContact CB-CZ 4.4Å; V106-F119 HydrophobicContact CG1-CZ 3.95Å; V106-F119 HydrophobicContact CG2-CE1 4.12Å; V106-F119 HydrophobicContact CG2-CZ 4.24Å
107K98.9Very high98.7Very high17 Ų1740.6 Ų40.67%0.07421%0.213CC..EExtended strand (participates in β ladder)trans-86.4141172.2163.5178.4172.7-171.70110.2I43 T51 V79 P80 M81 L82 H109I43-K107 WeakPolarHBondContact O-CA 3.49Å; T51-K107 HydrophobicContact CG2-CD 3.73Å; T51-K107 HydrophobicContact CG2-CG 3.69Å; V79-K107 HydrophobicContact CG1-CB 3.97Å; P80-K107 PolarHBondContact O-N 3.32Å; M81-K107 CarbonylContact C-O 3.54Å; M81-K107 WeakPolarHBondContact CA-O 3.42Å; M81-K107 HydrophobicContact CB-CB 4.49Å; M81-K107 HydrophobicContact CB-CD 4.06Å; M81-K107 HydrophobicContact CB-CG 4.12Å; M81-K107 HydrophobicContact CG-CD 4.34Å; M81-K107 HydrophobicContact CG-CG 4.18Å; L82-K107 PolarHBondContact N-O 3.32Å; K107-H109 VanDerWaalsContact CE-NE2 3.25Å; K107-H109 WeakPolarHBondContact CE-NE2 3.34Å
108T98.9Very high98.7Very high0 Ų041.2 Ų41.20%022%0.217CC..EExtended strand (participates in β ladder)trans-152.9156.2168.3-1690000113.2V42 I43 A44 T45 E83 L110 L115V42-T108 HydrophobicContact CG1-CG2 3.92Å; I43-T108 PolarHBondContact O-N 3.5Å; A44-T108 WeakPolarHBondContact CA-O 3.3Å; A44-T108 HydrophobicContact CB-CG2 4.03Å; T45-T108 PolarHBondContact N-O 3.15Å; E83-T108 WeakPolarHBondContact OE2-CB 3.29Å; E83-T108 PolarHBondContact OE2-OG1 3.09Å; T108-L110 VanDerWaalsContact OG1-CG 3.26Å; T108-L110 WeakPolarHBondContact OG1-CG 3.45Å; T108-L110 PolarHBondContact OG1-N 3.07Å; T108-L110 VanDerWaalsContact OG1-N 3.14Å; T108-L115 HydrophobicContact CG2-CD1 3.82Å
109H98.9Very high98.7Very high15 Ų1535.8 Ų35.87%0.06919%0.192CC..  trans-115.510.6169-62.9-59.6000112.8T45 P47 T51 E83 K107 Y170 H176T45-H109 WeakPolarHBondContact O-CA 3.42Å; T45-H109 PolarHBondContact O-ND1 2.86Å; T45-H109 PolarHBondContact OG1-CE1 3.14Å; T45-H109 PolarHBondContact OG1-ND1 2.79Å; T45-H109 VanDerWaalsContact OG1-ND1 3.1Å; P47-H109 HydrophobicContact CG-CB 4.16Å; T51-H109 PolarHBondContact OG1-CE1 3.36Å; T51-H109 VanDerWaalsContact OG1-CE1 3.25Å; E83-H109 PolarHBondContact OE1-N 3.19Å; K107-H109 VanDerWaalsContact CE-NE2 3.25Å; K107-H109 WeakPolarHBondContact CE-NE2 3.34Å; H109-Y170 HydrophobicContact CB-CD1 3.61Å; H109-Y170 HydrophobicContact CB-CD2 4.09Å; H109-Y170 HydrophobicContact CB-CE1 3.37Å; H109-Y170 HydrophobicContact CB-CE2 3.91Å; H109-Y170 HydrophobicContact CB-CG 3.92Å; H109-Y170 WeakPolarHBondContact O-CD1 3.38Å; H109-H176 PolarHBondContact O-NE2 2.97Å
110L98.9Very high98.7Very high0 Ų032 Ų320%017%0.174CC..  trans-65.7136.6-177.6-64.5175.8000111.7M20 W28 I31 L82 E83 T108 L114 Y170 H176 W180M20-L110 HydrophobicContact CE-CD2 4.02Å; W28-L110 HydrophobicContact CH2-CD2 3.41Å; W28-L110 VanDerWaalsContact CH2-CD2 3.41Å; W28-L110 HydrophobicContact CZ2-CD2 3.89Å; W28-L110 HydrophobicContact CZ3-CD2 4.47Å; I31-L110 HydrophobicContact CG2-CD1 4.05Å; L82-L110 HydrophobicContact CD2-CD1 4.04Å; E83-L110 HydrophobicContact CB-CD1 4.45Å; E83-L110 HydrophobicContact CB-CD2 4.2Å; E83-L110 HydrophobicContact CB-CG 4.45Å; E83-L110 HydrophobicContact CG-CD2 4.14Å; E83-L110 HydrophobicContact CG-CG 4.41Å; T108-L110 VanDerWaalsContact OG1-CG 3.26Å; T108-L110 WeakPolarHBondContact OG1-CG 3.45Å; T108-L110 PolarHBondContact OG1-N 3.07Å; T108-L110 VanDerWaalsContact OG1-N 3.14Å; L110-L114 HydrophobicContact CB-CB 4.21Å; L110-L114 HydrophobicContact CD2-CB 4.27Å; L110-Y170 HydrophobicContact CD2-CE1 4.34Å; L110-H176 PolarHBondContact O-NE2 3.07Å; L110-W180 PolarHBondContact O-NE1 2.97Å; L110-W180 VanDerWaalsContact O-NE1 3.12Å
111P98.8Very high98.7Very high15 Ų1538.1 Ų38.110%0.09720%0.201CC..  trans-51152.2159.6-24.933.4000111.5D113 L114 L115P111-D113 WeakPolarHBondContact CB-OD1 3.48Å; P111-D113 PolarHBondContact O-N 3.29Å; P111-D113 VanDerWaalsContact O-N 3.14Å; P111-L114 HydrophobicContact CG-CD1 4.18Å; P111-L114 PolarHBondContact O-N 2.89Å; P111-L115 PolarHBondContact O-N 3.44Å
112T98.8Very high98.8Very high15 Ų1536 Ų369%0.09219%0.185CC..THydrogen-bonded Turntrans-55.3-35.6-176.549.40000113.4L114 W120 N179 W180 K183T112-L114 VanDerWaalsContact C-N 3.3Å; T112-W120 WeakPolarHBondContact O-CZ2 3.5Å; T112-N179 HydrophobicContact CG2-CB 4.35Å; T112-W180 HydrophobicContact CG2-CB 4.22Å; T112-W180 HydrophobicContact CG2-CD2 3.5Å; T112-W180 HydrophobicContact CG2-CE3 4.11Å; T112-W180 HydrophobicContact CG2-CG 3.52Å; T112-W180 HydrophobicContact CG2-CZ2 4.3Å; T112-K183 HydrophobicContact CG2-CB 4.31Å; T112-K183 HydrophobicContact CG2-CG 3.8Å
113D97.9Very high98.8Very high110 Ų11038.2 Ų38.259%0.58819%0.192SC*.THydrogen-bonded Turntrans-76.4-15.418054.2-54.9000113.6P111P111-D113 WeakPolarHBondContact CB-OD1 3.48Å; P111-D113 PolarHBondContact O-N 3.29Å; P111-D113 VanDerWaalsContact O-N 3.14Å
114L98.6Very high98.8Very high10 Ų1035 Ų355%0.05217%0.172CC..THydrogen-bonded Turntrans-100.5-9.3174.7-67.7-172.6000113.5H16 C18 W28 L110 P111 T112H16-L114 HydrophobicContact CB-CD2 3.96Å; C18-L114 HydrophobicContact CB-CD1 3.66Å; W28-L114 HydrophobicContact CZ2-CB 4.28Å; W28-L114 HydrophobicContact CZ2-CD1 4.13Å; W28-L114 HydrophobicContact CZ2-CD2 4.37Å; L110-L114 HydrophobicContact CB-CB 4.21Å; L110-L114 HydrophobicContact CD2-CB 4.27Å; P111-L114 HydrophobicContact CG-CD1 4.18Å; P111-L114 PolarHBondContact O-N 2.89Å; T112-L114 VanDerWaalsContact C-N 3.3Å
115L98.8Very high98.8Very high6 Ų637.1 Ų37.13%0.03118%0.181CC..SBendtrans-66.9135.1178.5-166.372.4000110.2T108 P111 K117 F119 W120 M126 W180T108-L115 HydrophobicContact CG2-CD1 3.82Å; P111-L115 PolarHBondContact O-N 3.44Å; L115-K117 PolarHBondContact O-N 3.14Å; L115-F119 HydrophobicContact CD1-CD2 4.18Å; L115-F119 HydrophobicContact CD2-CB 4.11Å; L115-F119 HydrophobicContact CD2-CD2 4.37Å; L115-F119 HydrophobicContact CD2-CG 4.49Å; L115-F119 HydrophobicContact CG-CD2 4Å; L115-W120 HydrophobicContact CB-CZ2 3.72Å; L115-W120 HydrophobicContact CD2-CD2 4.35Å; L115-W120 HydrophobicContact CD2-CH2 3.6Å; L115-W120 HydrophobicContact CD2-CZ2 3.28Å; L115-W120 HydrophobicContact CD2-CZ3 4.26Å; L115-W120 HydrophobicContact CG-CZ2 4.08Å; L115-M126 HydrophobicContact CD2-CE 3.74Å; L115-M126 HydrophobicContact CD2-SD 3.98Å; L115-W180 HydrophobicContact CD2-CH2 3.9Å; L115-W180 HydrophobicContact CD2-CZ2 4.42Å
116P98.8Very high98.8Very high3 Ų336.9 Ų36.92%0.01918%0.179CC..  trans-55.6136.1-179.8-27.536.3000112.3I31 F34 L82 S118 F119I31-P116 HydrophobicContact CG2-CG 4.07Å; I31-P116 WeakPolarHBondContact O-CB 3.31Å; I31-P116 WeakPolarHBondContact O-CG 3.39Å; F34-P116 HydrophobicContact CB-CB 4.16Å; F34-P116 HydrophobicContact CB-CG 4.11Å; L82-P116 HydrophobicContact CD2-CG 3.82Å; P116-S118 PolarHBondContact O-N 2.93Å; P116-S118 VanDerWaalsContact O-N 3.15Å; P116-F119 HydrophobicContact CB-CD2 3.99Å; P116-F119 HydrophobicContact CB-CE2 4.18Å; P116-F119 HydrophobicContact CG-CD2 4.18Å; P116-F119 HydrophobicContact CG-CE2 4.01Å; P116-F119 PolarHBondContact O-N 3.46Å; P116-F119 VanDerWaalsContact O-N 3.16Å
117K98.7Very high98.8Very high151 Ų15136.9 Ų36.966%0.65718%0.179SC*.Hα-helixtrans-59.7-31.8-172.6-65.8-175.5-178176.70113.3L115 F119 W120 E121L115-K117 PolarHBondContact O-N 3.14Å; K117-F119 PolarHBondContact O-N 3.05Å; K117-W120 WeakPolarHBondContact O-CB 3.18Å; K117-W120 PolarHBondContact O-N 2.82Å; K117-E121 WeakPolarHBondContact O-CG 3.29Å; K117-E121 PolarHBondContact O-N 3.32Å
118S98.8Very high98.8Very high13 Ų1336 Ų369%0.09118%0.176CC..Hα-helixtrans-55.6-33.7179.564.90000113.1F34 S36 P116 W120 E121 N122F34-S118 VanDerWaalsContact O-CB 3.29Å; F34-S118 WeakPolarHBondContact O-CB 3.24Å; F34-S118 PolarHBondContact O-OG 3.49Å; S36-S118 PolarHBondContact N-OG 3.2Å; S36-S118 WeakPolarHBondContact OG-CB 3.42Å; S36-S118 PolarHBondContact OG-O 3.26Å; S36-S118 PolarHBondContact OG-OG 3.38Å; P116-S118 PolarHBondContact O-N 2.93Å; P116-S118 VanDerWaalsContact O-N 3.15Å; S118-W120 VanDerWaalsContact C-N 3.33Å; S118-W120 PolarHBondContact O-N 3.3Å; S118-E121 PolarHBondContact O-N 3.5Å; S118-N122 VanDerWaalsContact O-CB 3.29Å; S118-N122 WeakPolarHBondContact O-CB 3.33Å; S118-N122 PolarHBondContact O-N 3.11Å
119F98.9Very high98.8Very high0 Ų036 Ų360%018%0.176CC..Hα-helixtrans-64.4-39.6176.8-72-67.8000112.2F34 S36 D40 V42 L82 V106 L115 P116 K117 N123 C124 M126F34-F119 HydrophobicContact CD1-CE1 4.46Å; F34-F119 AromaticContact CD1-CE2 3.65Å; F34-F119 HydrophobicContact CD1-CE2 3.65Å; F34-F119 AromaticContact CD1-CZ 3.56Å; F34-F119 HydrophobicContact CD1-CZ 3.56Å; F34-F119 AromaticContact CE1-CE1 3.98Å; F34-F119 HydrophobicContact CE1-CE1 3.98Å; F34-F119 AromaticContact CE1-CE2 3.92Å; F34-F119 HydrophobicContact CE1-CE2 3.92Å; F34-F119 AromaticContact CE1-CZ 3.31Å; F34-F119 HydrophobicContact CE1-CZ 3.31Å; F34-F119 HydrophobicContact CZ-CZ 4.38Å; S36-F119 VanDerWaalsContact CB-CD1 3.49Å; S36-F119 PolarHBondContact OG-N 3.11Å; D40-F119 HydrophobicContact CB-CE1 4.29Å; V42-F119 HydrophobicContact CG2-CD1 3.4Å; V42-F119 VanDerWaalsContact CG2-CD1 3.4Å; V42-F119 HydrophobicContact CG2-CE1 3.6Å; V42-F119 HydrophobicContact CG2-CG 4.05Å; V42-F119 HydrophobicContact CG2-CZ 4.37Å; L82-F119 HydrophobicContact CD2-CE2 3.86Å; L82-F119 HydrophobicContact CD2-CZ 4.48Å; V106-F119 HydrophobicContact CB-CE1 4.49Å; V106-F119 HydrophobicContact CB-CZ 4.4Å; V106-F119 HydrophobicContact CG1-CZ 3.95Å; V106-F119 HydrophobicContact CG2-CE1 4.12Å; V106-F119 HydrophobicContact CG2-CZ 4.24Å; L115-F119 HydrophobicContact CD1-CD2 4.18Å; L115-F119 HydrophobicContact CD2-CB 4.11Å; L115-F119 HydrophobicContact CD2-CD2 4.37Å; L115-F119 HydrophobicContact CD2-CG 4.49Å; L115-F119 HydrophobicContact CG-CD2 4Å; P116-F119 HydrophobicContact CB-CD2 3.99Å; P116-F119 HydrophobicContact CB-CE2 4.18Å; P116-F119 HydrophobicContact CG-CD2 4.18Å; P116-F119 HydrophobicContact CG-CE2 4.01Å; P116-F119 PolarHBondContact O-N 3.46Å; P116-F119 VanDerWaalsContact O-N 3.16Å; K117-F119 PolarHBondContact O-N 3.05Å; F119-N123 PolarHBondContact O-N 2.85Å; F119-C124 HydrophobicContact CD1-CB 4.13Å; F119-C124 PolarHBondContact O-N 3.31Å; F119-C124 VanDerWaalsContact O-N 3.09Å; F119-M126 HydrophobicContact CB-CE 3.71Å
120W98.8Very high98.8Very high59 Ų5935.3 Ų35.322%0.22317%0.173CC..Hα-helixtrans-70.3-44.9175.9-47.4121.7000111.1T112 L115 K117 S118 N122 N123 M126 W180 H187 I189T112-W120 WeakPolarHBondContact O-CZ2 3.5Å; L115-W120 HydrophobicContact CB-CZ2 3.72Å; L115-W120 HydrophobicContact CD2-CD2 4.35Å; L115-W120 HydrophobicContact CD2-CH2 3.6Å; L115-W120 HydrophobicContact CD2-CZ2 3.28Å; L115-W120 HydrophobicContact CD2-CZ3 4.26Å; L115-W120 HydrophobicContact CG-CZ2 4.08Å; K117-W120 WeakPolarHBondContact O-CB 3.18Å; K117-W120 PolarHBondContact O-N 2.82Å; S118-W120 VanDerWaalsContact C-N 3.33Å; S118-W120 PolarHBondContact O-N 3.3Å; W120-N122 PolarHBondContact O-N 3.23Å; W120-N123 PolarHBondContact O-N 3.15Å; W120-N123 VanDerWaalsContact O-N 3.14Å; W120-M126 HydrophobicContact CD2-CE 4.33Å; W120-M126 HydrophobicContact CE3-CE 3.63Å; W120-M126 HydrophobicContact CE3-SD 4.34Å; W120-M126 HydrophobicContact CH2-CE 4.15Å; W120-M126 HydrophobicContact CH2-SD 3.97Å; W120-M126 HydrophobicContact CZ3-CE 3.53Å; W120-M126 HydrophobicContact CZ3-SD 3.61Å; W120-W180 HydrophobicContact CH2-CH2 4.12Å; W120-W180 HydrophobicContact CH2-CZ3 4.15Å; W120-H187 HydrophobicContact CE3-CB 4.49Å; W120-H187 AromaticContact CE3-CD2 3.76Å; W120-H187 AromaticContact CE3-CE1 3.88Å; W120-H187 AromaticContact CE3-CG 3.77Å; W120-H187 AromaticContact CE3-ND1 3.85Å; W120-H187 AromaticContact CE3-NE2 3.82Å; W120-H187 HydrophobicContact CZ3-CB 4.36Å; W120-H187 AromaticContact CZ3-CD2 3.85Å; W120-H187 AromaticContact CZ3-CG 3.96Å; W120-H187 PolarHBondContact O-CE1 3.22Å; W120-I189 HydrophobicContact CZ3-CD1 4.43Å
121E98.8Very high98.8Very high148 Ų14836 Ų3669%0.69218%0.175SC*.Hα-helixtrans-64.1-40-178.5-69.1163.9-178.300112.4K117 S118 N123K117-E121 WeakPolarHBondContact O-CG 3.29Å; K117-E121 PolarHBondContact O-N 3.32Å; S118-E121 PolarHBondContact O-N 3.5Å; E121-N123 PolarHBondContact O-N 3.34Å
122N98.8Very high98.8Very high63 Ų6335.3 Ų35.334%0.33717%0.171SC..THydrogen-bonded Turntrans-83.34.3176.3-79.2-34.5000113.8S36 P38 S118 W120 C124S36-N122 PolarHBondContact O-ND2 2.85Å; S36-N122 VanDerWaalsContact O-ND2 3.09Å; S36-N122 PolarHBondContact OG-ND2 2.76Å; P38-N122 HydrophobicContact CG-CB 4.45Å; S118-N122 VanDerWaalsContact O-CB 3.29Å; S118-N122 WeakPolarHBondContact O-CB 3.33Å; S118-N122 PolarHBondContact O-N 3.11Å; W120-N122 PolarHBondContact O-N 3.23Å; N122-C124 VanDerWaalsContact C-N 3.26Å; N122-C124 PolarHBondContact O-N 3.35Å
123N98.8Very high98.8Very high98 Ų9834.7 Ų34.752%0.52417%0.167SC..THydrogen-bonded Turntrans52.640.8178.8-160.745.3000113.9F119 W120 E121 P188F119-N123 PolarHBondContact O-N 2.85Å; W120-N123 PolarHBondContact O-N 3.15Å; W120-N123 VanDerWaalsContact O-N 3.14Å; E121-N123 PolarHBondContact O-N 3.34Å; N123-P188 WeakPolarHBondContact OD1-CD 3.33Å
124C98.9Very high98.8Very high0 Ų030 Ų300%014%0.141CC..  trans-64.1137.6-175.1-62.20000111R37 V42 F119 N122 M126 H187R37-C124 PolarHBondContact O-SG 3.39Å; V42-C124 HydrophobicContact CG2-CB 4.43Å; F119-C124 HydrophobicContact CD1-CB 4.13Å; F119-C124 PolarHBondContact O-N 3.31Å; F119-C124 VanDerWaalsContact O-N 3.09Å; N122-C124 VanDerWaalsContact C-N 3.26Å; N122-C124 PolarHBondContact O-N 3.35Å; C124-M126 WeakPolarHBondContact O-CG 3.38Å; C124-M126 PolarHBondContact O-N 3.08Å; C124-H187 PolarHBondContact O-NE2 3.13Å
125K98.9Very high98.9Very high51 Ų5129.6 Ų29.622%0.22214%0.139CC..EExtended strand (participates in β ladder)trans-64.8134.5173.4-73.7-176.5180-176.90110I41 V42 F211 E213I41-K125 WeakPolarHBondContact CA-O 3.38Å; V42-K125 PolarHBondContact N-O 3.41Å; K125-F211 HydrophobicContact CB-CE1 3.83Å; K125-F211 HydrophobicContact CB-CZ 3.93Å; K125-F211 HydrophobicContact CD-CE1 4.39Å; K125-F211 HydrophobicContact CD-CZ 4.5Å; K125-F211 WeakPolarHBondContact CE-O 3.19Å; K125-F211 HydrophobicContact CG-CE1 4.34Å; K125-F211 HydrophobicContact CG-CZ 4.16Å; K125-F211 PolarHBondContact NZ-O 3.49Å; K125-E213 IonicContact NZ-OE1 3.65Å; K125-E213 PolarHBondContact NZ-OE1 3.3Å; K125-E213 IonicContact NZ-OE2 2.75Å
126M98.9Very high98.9Very high0 Ų029.3 Ų29.30%014%0.138CC..EExtended strand (participates in β ladder)trans-124.8138.1177.8-42.7-167.8175.600111.7V42 L115 F119 W120 C124 W180 P188 I189 L190 F211V42-M126 HydrophobicContact CB-CB 4.13Å; V42-M126 HydrophobicContact CB-CG 3.87Å; V42-M126 HydrophobicContact CB-SD 4.31Å; V42-M126 HydrophobicContact CG2-CE 4.29Å; V42-M126 HydrophobicContact CG2-CG 4.24Å; V42-M126 CarbonylContact O-C 3.55Å; V42-M126 VanDerWaalsContact O-CA 3.25Å; V42-M126 WeakPolarHBondContact O-CA 3.48Å; L115-M126 HydrophobicContact CD2-CE 3.74Å; L115-M126 HydrophobicContact CD2-SD 3.98Å; F119-M126 HydrophobicContact CB-CE 3.71Å; W120-M126 HydrophobicContact CD2-CE 4.33Å; W120-M126 HydrophobicContact CE3-CE 3.63Å; W120-M126 HydrophobicContact CE3-SD 4.34Å; W120-M126 HydrophobicContact CH2-CE 4.15Å; W120-M126 HydrophobicContact CH2-SD 3.97Å; W120-M126 HydrophobicContact CZ3-CE 3.53Å; W120-M126 HydrophobicContact CZ3-SD 3.61Å; C124-M126 WeakPolarHBondContact O-CG 3.38Å; C124-M126 PolarHBondContact O-N 3.08Å; M126-W180 HydrophobicContact SD-CH2 3.87Å; M126-W180 HydrophobicContact SD-CZ3 3.71Å; M126-P188 PolarHBondContact N-O 3.11Å; M126-I189 HydrophobicContact CB-CG1 4.13Å; M126-I189 HydrophobicContact CB-CG2 4.43Å; M126-I189 HydrophobicContact CG-CG1 4.46Å; M126-I189 CarbonylContact O-C 3.59Å; M126-I189 VanDerWaalsContact O-CA 3.27Å; M126-I189 WeakPolarHBondContact O-CA 3.3Å; M126-L190 PolarHBondContact O-N 3.12Å; M126-F211 WeakPolarHBondContact O-CE1 3.24Å; M126-F211 WeakPolarHBondContact O-CZ 3.14Å
127I98.9Very high98.9Very high0 Ų029.1 Ų29.10%014%0.137CC..EExtended strand (participates in β ladder)trans-108.4114.9168.9-58.2167.4000106.5I41 V42 I43 A44 V54 L190 L192 I208 F211 L212I41-I127 HydrophobicContact CG2-CD1 4.33Å; V42-I127 PolarHBondContact O-N 3.07Å; I43-I127 WeakPolarHBondContact CA-O 3.17Å; A44-I127 PolarHBondContact N-O 2.89Å; V54-I127 HydrophobicContact CG2-CG2 3.99Å; I127-L190 WeakPolarHBondContact CA-O 3.28Å; I127-L190 HydrophobicContact CG1-CB 4.48Å; I127-L192 HydrophobicContact CG2-CD1 3.84Å; I127-I208 HydrophobicContact CD1-CG2 3.79Å; I127-F211 HydrophobicContact CG1-CD1 4.03Å; I127-F211 HydrophobicContact CG1-CE1 3.95Å; I127-L212 HydrophobicContact CD1-CD2 4.44Å
128Y99Very high98.9Very high0 Ų022 Ų220%011%0.105CC..EExtended strand (participates in β ladder)trans-101.1119.6173-171.7-91.3000110.2A44 A130 H176 V177 W180 L190 F191 L192A44-Y128 HydrophobicContact CB-CD2 3.84Å; A44-Y128 HydrophobicContact CB-CE2 4.46Å; A44-Y128 VanDerWaalsContact O-CA 3.3Å; A44-Y128 WeakPolarHBondContact O-CA 3.35Å; A44-Y128 VanDerWaalsContact O-CD2 3.29Å; A44-Y128 WeakPolarHBondContact O-CD2 3.46Å; Y128-A130 HydrophobicContact CD1-CB 4.28Å; Y128-A130 HydrophobicContact CE1-CB 3.82Å; Y128-H176 AromaticContact CE2-CE1 3.71Å; Y128-H176 AromaticContact CE2-ND1 3.94Å; Y128-H176 AromaticContact CZ-ND1 3.81Å; Y128-H176 PolarHBondContact OH-CE1 2.85Å; Y128-H176 PolarHBondContact OH-ND1 3.07Å; Y128-H176 PolarHBondContact OH-O 3.43Å; Y128-V177 WeakPolarHBondContact OH-CA 3.38Å; Y128-W180 HydrophobicContact CD1-CB 4.26Å; Y128-W180 HydrophobicContact CD2-CB 3.59Å; Y128-W180 AromaticContact CD2-CD2 3.35Å; Y128-W180 HydrophobicContact CD2-CD2 3.35Å; Y128-W180 AromaticContact CD2-CE3 3.55Å; Y128-W180 HydrophobicContact CD2-CE3 3.55Å; Y128-W180 AromaticContact CD2-CG 3.39Å; Y128-W180 HydrophobicContact CD2-CG 3.39Å; Y128-W180 HydrophobicContact CD2-CZ3 4.35Å; Y128-W180 HydrophobicContact CE1-CB 4.01Å; Y128-W180 HydrophobicContact CE2-CB 3.31Å; Y128-W180 AromaticContact CE2-CD1 3.3Å; Y128-W180 AromaticContact CE2-CD2 3.47Å; Y128-W180 HydrophobicContact CE2-CD2 3.47Å; Y128-W180 VanDerWaalsContact CE2-CD2 3.47Å; Y128-W180 AromaticContact CE2-CE2 3.95Å; Y128-W180 HydrophobicContact CE2-CE3 4.16Å; Y128-W180 AromaticContact CE2-CG 3.04Å; Y128-W180 HydrophobicContact CE2-CG 3.04Å; Y128-W180 AromaticContact CE2-NE1 3.8Å; Y128-W180 HydrophobicContact CG-CB 4.03Å; Y128-W180 HydrophobicContact CG-CD2 4.35Å; Y128-W180 HydrophobicContact CG-CE3 4.26Å; Y128-W180 HydrophobicContact CG-CG 4.3Å; Y128-W180 VanDerWaalsContact CZ-CB 3.5Å; Y128-W180 AromaticContact CZ-CD1 3.94Å; Y128-W180 AromaticContact CZ-CG 3.71Å; Y128-L190 PolarHBondContact N-O 2.96Å; Y128-F191 HydrophobicContact CD1-CD1 4.48Å; Y128-F191 AromaticContact CD1-CD2 3.47Å; Y128-F191 HydrophobicContact CD1-CD2 3.47Å; Y128-F191 VanDerWaalsContact CD1-CD2 3.47Å; Y128-F191 HydrophobicContact CD1-CE1 4.2Å; Y128-F191 AromaticContact CD1-CE2 3.12Å; Y128-F191 HydrophobicContact CD1-CE2 3.12Å; Y128-F191 HydrophobicContact CD1-CG 4.16Å; Y128-F191 AromaticContact CD1-CZ 3.54Å; Y128-F191 HydrophobicContact CD1-CZ 3.54Å; Y128-F191 HydrophobicContact CE1-CD2 4.21Å; Y128-F191 HydrophobicContact CE1-CE1 4.46Å; Y128-F191 AromaticContact CE1-CE2 3.39Å; Y128-F191 HydrophobicContact CE1-CE2 3.39Å; Y128-F191 AromaticContact CE1-CZ 3.54Å; Y128-F191 HydrophobicContact CE1-CZ 3.54Å; Y128-F191 HydrophobicContact CG-CD2 4.08Å; Y128-F191 HydrophobicContact CG-CE2 4.05Å; Y128-F191 CarbonylContact O-C 3.47Å; Y128-F191 WeakPolarHBondContact O-CA 3.49Å; Y128-L192 PolarHBondContact O-N 2.71Å
129L98.9Very high98.9Very high0 Ų022.1 Ų22.10%011%0.106CC..EExtended strand (participates in β ladder)trans-109.4116176178.665.7000110.6A44 T45 S49 V54 L192 M197A44-L129 PolarHBondContact O-N 3.01Å; A44-L129 VanDerWaalsContact O-N 3.15Å; T45-L129 HydrophobicContact CG2-CB 3.75Å; T45-L129 WeakPolarHBondContact CG2-O 3.3Å; S49-L129 WeakPolarHBondContact CB-O 3.48Å; S49-L129 VanDerWaalsContact O-CD2 3.22Å; S49-L129 WeakPolarHBondContact O-CD2 3.38Å; S49-L129 WeakPolarHBondContact O-CG 3.39Å; V54-L129 HydrophobicContact CB-CD2 4.08Å; V54-L129 HydrophobicContact CG1-CB 4.35Å; V54-L129 HydrophobicContact CG1-CD2 3.94Å; L129-L192 HydrophobicContact CD1-CB 3.73Å; L129-M197 HydrophobicContact CD1-CG 4.41Å; L129-M197 HydrophobicContact CD1-SD 3.54Å; L129-M197 VanDerWaalsContact CD1-SD 3.54Å; L129-M197 HydrophobicContact CD2-SD 3.87Å; L129-M197 HydrophobicContact CG-SD 4.36Å
130A98.9Very high98.9Very high0 Ų022.2 Ų22.20%011%0.107CC..EExtended strand (participates in β ladder)trans-99.4154.9176.200000111Y128 F191 L192 Y193 Y194 F292Y128-A130 HydrophobicContact CD1-CB 4.28Å; Y128-A130 HydrophobicContact CE1-CB 3.82Å; A130-F191 HydrophobicContact CB-CE1 3.58Å; A130-F191 HydrophobicContact CB-CZ 3.64Å; A130-L192 PolarHBondContact N-O 3.25Å; A130-Y193 HydrophobicContact CB-CD1 4.31Å; A130-Y193 CarbonylContact O-C 3.45Å; A130-Y193 WeakPolarHBondContact O-CA 3.25Å; A130-Y194 WeakPolarHBondContact O-CB 3.36Å; A130-Y194 PolarHBondContact O-N 3.31Å; A130-F292 HydrophobicContact CB-CE1 3.53Å; A130-F292 HydrophobicContact CB-CZ 3.82Å
131R98.9Very high98.9Very high14 Ų1421 Ų215%0.05310%0.102CC..  trans-140.7150.7173.9-176.8177.3-172.1-171.63.2109.1K48 A133 V136 W173 Y194 E195 M261K48-R131 PolarHBondContact O-NH1 3.44Å; R131-A133 PolarHBondContact O-N 2.94Å; R131-V136 HydrophobicContact CB-CG2 3.67Å; R131-V136 HydrophobicContact CG-CG2 3.92Å; R131-W173 WeakPolarHBondContact O-CZ2 3.41Å; R131-W173 PolarHBondContact O-NE1 3.38Å; R131-W173 VanDerWaalsContact O-NE1 3.14Å; R131-Y194 HydrophobicContact CB-CG 4.26Å; R131-Y194 HydrophobicContact CG-CD1 3.87Å; R131-Y194 HydrophobicContact CG-CG 3.84Å; R131-E195 VanDerWaalsContact CG-OE1 3.27Å; R131-E195 WeakPolarHBondContact CG-OE1 3.17Å; R131-M261 PolarHBondContact NH2-O 3.06Å
132N98.9Very high98.9Very high1 Ų115.1 Ų15.11%0.0058%0.075CC..  trans-55.7139.8178.48283.5000112.2K134 D135 V136 E195 F292 R293 T294N132-K134 PolarHBondContact O-N 3.41Å; N132-K134 PolarHBondContact OD1-N 2.95Å; N132-D135 PolarHBondContact ND2-OD2 2.66Å; N132-D135 PolarHBondContact O-N 2.9Å; N132-D135 PolarHBondContact OD1-N 3.29Å; N132-V136 VanDerWaalsContact O-CG2 3.26Å; N132-V136 WeakPolarHBondContact O-CG2 3.35Å; N132-V136 PolarHBondContact O-N 2.77Å; N132-E195 WeakPolarHBondContact CB-OE1 3.35Å; N132-E195 PolarHBondContact N-OE1 2.87Å; N132-E195 PolarHBondContact ND2-OE1 2.84Å; N132-F292 HydrophobicContact CB-CB 4.14Å; N132-F292 HydrophobicContact CB-CD1 4.46Å; N132-R293 WeakPolarHBondContact CB-O 3.42Å; N132-R293 PolarHBondContact ND2-O 3.15Å; N132-T294 HydrophobicContact CB-CG2 4.36Å
133A98.9Very high98.9Very high1 Ų113.4 Ų13.41%0.0087%0.065CC..Hα-helixtrans-64.6-26.4-170.100000114.2R131 S137 F163 W173 F277 Y281R131-A133 PolarHBondContact O-N 2.94Å; A133-S137 WeakPolarHBondContact O-CB 3.34Å; A133-S137 PolarHBondContact O-N 3.07Å; A133-S137 PolarHBondContact O-OG 3.41Å; A133-F163 HydrophobicContact CB-CE1 4.44Å; A133-W173 HydrophobicContact CB-CD2 3.59Å; A133-W173 HydrophobicContact CB-CE3 3.57Å; A133-W173 HydrophobicContact CB-CG 4.3Å; A133-W173 HydrophobicContact CB-CH2 3.81Å; A133-W173 HydrophobicContact CB-CZ2 3.79Å; A133-W173 HydrophobicContact CB-CZ3 3.7Å; A133-F277 HydrophobicContact CB-CE1 4.12Å; A133-F277 HydrophobicContact CB-CZ 3.59Å; A133-Y281 HydrophobicContact CB-CD2 4.39Å; A133-Y281 HydrophobicContact CB-CE2 4.16Å
134K98.9Very high98.9Very high12 Ų129.1 Ų9.15%0.0524%0.041CC..Hα-helixtrans-72.6-47.1-178.9-60-174.6-177179.20111.4N132 V136 S137 V138 W265 F269 N274 F277 D278 T294N132-K134 PolarHBondContact O-N 3.41Å; N132-K134 PolarHBondContact OD1-N 2.95Å; K134-V136 VanDerWaalsContact C-N 3.32Å; K134-S137 PolarHBondContact O-N 3.15Å; K134-S137 PolarHBondContact O-OG 3.25Å; K134-V138 PolarHBondContact O-N 3.04Å; K134-W265 HydrophobicContact CB-CB 3.76Å; K134-W265 HydrophobicContact CB-CD2 3.69Å; K134-W265 HydrophobicContact CB-CE3 4.18Å; K134-W265 HydrophobicContact CB-CG 3.47Å; K134-W265 VanDerWaalsContact CB-CG 3.47Å; K134-W265 HydrophobicContact CD-CD2 3.65Å; K134-W265 HydrophobicContact CD-CE3 3.66Å; K134-W265 HydrophobicContact CD-CG 4.36Å; K134-W265 HydrophobicContact CD-CH2 3.81Å; K134-W265 HydrophobicContact CD-CZ2 3.79Å; K134-W265 HydrophobicContact CD-CZ3 3.75Å; K134-W265 HydrophobicContact CG-CD2 4.3Å; K134-W265 HydrophobicContact CG-CE3 4.47Å; K134-F269 HydrophobicContact CB-CE2 4.12Å; K134-F269 HydrophobicContact CB-CZ 4.11Å; K134-F269 HydrophobicContact CG-CE1 4.49Å; K134-F269 HydrophobicContact CG-CZ 4.2Å; K134-N274 WeakPolarHBondContact CE-OD1 3.18Å; K134-N274 PolarHBondContact NZ-OD1 3.1Å; K134-F277 HydrophobicContact CD-CD1 4.42Å; K134-F277 HydrophobicContact CG-CD1 3.94Å; K134-F277 HydrophobicContact CG-CE1 3.69Å; K134-F277 HydrophobicContact CG-CZ 4.25Å; K134-D278 WeakPolarHBondContact CE-OD1 3.47Å; K134-D278 VanDerWaalsContact NZ-CG 3.32Å; K134-D278 IonicContact NZ-OD1 2.77Å; K134-D278 PolarHBondContact NZ-OD1 2.95Å; K134-D278 IonicContact NZ-OD2 3.21Å; K134-D278 PolarHBondContact NZ-OD2 3.28Å; K134-T294 HydrophobicContact CD-CG2 4.07Å
135D98.9Very high98.9Very high1 Ų111.7 Ų11.71%0.0056%0.055CC..Hα-helixtrans-68.7-34.2173.6-79.6-44000112.1N132 S139 A262 G263 D264 W265N132-D135 PolarHBondContact ND2-OD2 2.66Å; N132-D135 PolarHBondContact O-N 2.9Å; N132-D135 PolarHBondContact OD1-N 3.29Å; D135-S139 WeakPolarHBondContact O-CB 3.4Å; D135-S139 PolarHBondContact O-N 3.02Å; D135-A262 WeakPolarHBondContact OD2-CA 3.4Å; D135-G263 PolarHBondContact OD1-N 3.27Å; D135-G263 PolarHBondContact OD2-N 2.8Å; D135-D264 PolarHBondContact OD1-N 3.36Å; D135-W265 PolarHBondContact OD1-N 3.5Å
136V98.9Very high98.9Very high0 Ų09.3 Ų9.30%05%0.045CC..Hα-helixtrans-59-51.3174.5167.10000110.3Y46 R131 N132 K134 V138 S139 Y140 F163Y46-V136 HydrophobicContact CD1-CG1 3.56Å; Y46-V136 HydrophobicContact CE1-CG1 3.64Å; R131-V136 HydrophobicContact CB-CG2 3.67Å; R131-V136 HydrophobicContact CG-CG2 3.92Å; N132-V136 VanDerWaalsContact O-CG2 3.26Å; N132-V136 WeakPolarHBondContact O-CG2 3.35Å; N132-V136 PolarHBondContact O-N 2.77Å; K134-V136 VanDerWaalsContact C-N 3.32Å; V136-V138 PolarHBondContact O-N 2.87Å; V136-S139 PolarHBondContact O-N 3.02Å; V136-Y140 VanDerWaalsContact O-CB 3.31Å; V136-Y140 WeakPolarHBondContact O-CB 3.48Å; V136-Y140 PolarHBondContact O-N 3.2Å; V136-F163 HydrophobicContact CB-CZ 4.46Å; V136-F163 HydrophobicContact CG1-CE2 3.82Å; V136-F163 HydrophobicContact CG1-CZ 3.92Å
137S98.9Very high98.9Very high0 Ų09.6 Ų9.60%05%0.046CC..Hα-helixtrans-61.9-43.2-177.265.50000112.3A133 K134 Y140 Y141A133-S137 WeakPolarHBondContact O-CB 3.34Å; A133-S137 PolarHBondContact O-N 3.07Å; A133-S137 PolarHBondContact O-OG 3.41Å; K134-S137 PolarHBondContact O-N 3.15Å; K134-S137 PolarHBondContact O-OG 3.25Å; S137-Y140 PolarHBondContact O-N 3.4Å; S137-Y141 WeakPolarHBondContact O-CB 3.48Å; S137-Y141 PolarHBondContact O-N 3.31Å
138V98.9Very high98.9Very high0 Ų011 Ų110%05%0.054CC..Hα-helixtrans-63.3-45.8174171.90000111.4K134 V136 Y140 Y141 H142 W156 W265 Y268 F269K134-V138 PolarHBondContact O-N 3.04Å; V136-V138 PolarHBondContact O-N 2.87Å; V138-Y140 PolarHBondContact O-N 3.36Å; V138-Y141 PolarHBondContact O-N 3.2Å; V138-H142 PolarHBondContact O-N 3.39Å; V138-H142 PolarHBondContact O-ND1 2.89Å; V138-W156 HydrophobicContact CB-CH2 4.41Å; V138-W156 HydrophobicContact CG2-CH2 3.45Å; V138-W156 VanDerWaalsContact CG2-CH2 3.45Å; V138-W156 HydrophobicContact CG2-CZ2 3.95Å; V138-W156 HydrophobicContact CG2-CZ3 3.93Å; V138-W265 HydrophobicContact CG2-CB 4.09Å; V138-Y268 HydrophobicContact CB-CD2 4.4Å; V138-Y268 HydrophobicContact CG1-CD1 4.38Å; V138-Y268 HydrophobicContact CG1-CD2 3.4Å; V138-Y268 VanDerWaalsContact CG1-CD2 3.4Å; V138-Y268 HydrophobicContact CG1-CE1 4.49Å; V138-Y268 HydrophobicContact CG1-CE2 3.54Å; V138-Y268 HydrophobicContact CG1-CG 3.84Å; V138-Y268 HydrophobicContact CG2-CD2 4.07Å; V138-Y268 HydrophobicContact CG2-CG 4.08Å; V138-F269 HydrophobicContact CG2-CD2 4.1Å; V138-F269 HydrophobicContact CG2-CE2 3.84Å
139S98.9Very high98.8Very high16 Ų1611.3 Ų11.311%0.1126%0.055CC..Hα-helixtrans-66.4-29.4179.9-171.50000112.5K48 D135 V136 F143K48-S139 WeakPolarHBondContact CE-OG 3.3Å; D135-S139 WeakPolarHBondContact O-CB 3.4Å; D135-S139 PolarHBondContact O-N 3.02Å; V136-S139 PolarHBondContact O-N 3.02Å; S139-F143 WeakPolarHBondContact O-CB 3.37Å; S139-F143 PolarHBondContact O-N 3.12Å
140Y98.9Very high98.8Very high3 Ų311.5 Ų11.51%0.0126%0.056CC..Hα-helixtrans-78-40.8178.8-150.6168.9000111.1Y46 P47 K48 V136 S137 V138 H142 F143 D144 Y159 V168 A169Y46-Y140 AromaticContact CE1-CD1 3.95Å; Y46-Y140 HydrophobicContact CE1-CD1 3.95Å; Y46-Y140 HydrophobicContact CE1-CE1 4.03Å; P47-Y140 HydrophobicContact CB-CD1 4.05Å; P47-Y140 HydrophobicContact CB-CE1 3.49Å; P47-Y140 VanDerWaalsContact CB-CE1 3.49Å; P47-Y140 HydrophobicContact CB-CE2 4.15Å; P47-Y140 HydrophobicContact CG-CE1 3.76Å; P47-Y140 WeakPolarHBondContact CG-OH 3.41Å; K48-Y140 HydrophobicContact CG-CD2 4.07Å; K48-Y140 HydrophobicContact CG-CG 3.92Å; V136-Y140 VanDerWaalsContact O-CB 3.31Å; V136-Y140 WeakPolarHBondContact O-CB 3.48Å; V136-Y140 PolarHBondContact O-N 3.2Å; S137-Y140 PolarHBondContact O-N 3.4Å; V138-Y140 PolarHBondContact O-N 3.36Å; Y140-H142 VanDerWaalsContact C-N 3.33Å; Y140-H142 PolarHBondContact O-N 3.26Å; Y140-F143 HydrophobicContact CD2-CB 4.35Å; Y140-F143 HydrophobicContact CD2-CD1 4.01Å; Y140-F143 AromaticContact CE2-CD1 3.9Å; Y140-F143 HydrophobicContact CE2-CD1 3.9Å; Y140-F143 CarbonylContact O-C 3.53Å; Y140-F143 WeakPolarHBondContact O-CA 3.22Å; Y140-F143 WeakPolarHBondContact O-CB 3.38Å; Y140-F143 PolarHBondContact O-N 3.36Å; Y140-D144 WeakPolarHBondContact CD2-OD1 3.44Å; Y140-D144 WeakPolarHBondContact CE2-OD1 3.28Å; Y140-D144 PolarHBondContact O-N 3.33Å; Y140-Y159 VanDerWaalsContact C-OH 3.28Å; Y140-Y159 VanDerWaalsContact CB-OH 3.3Å; Y140-Y159 WeakPolarHBondContact CB-OH 3.08Å; Y140-Y159 WeakPolarHBondContact CD2-OH 3.11Å; Y140-V168 HydrophobicContact CE1-CG2 4.47Å; Y140-A169 WeakPolarHBondContact OH-CB 3.28Å; Y140-A169 PolarHBondContact OH-O 3.28Å
141Y98.9Very high98.7Very high33 Ų3312.6 Ų12.613%0.1296%0.064CC..Hα-helixtrans-50.7-52.1171.4176.2-111.5000112.3S137 V138 F143 D144 L145 P153 G154 W156 Y159S137-Y141 WeakPolarHBondContact O-CB 3.48Å; S137-Y141 PolarHBondContact O-N 3.31Å; V138-Y141 PolarHBondContact O-N 3.2Å; Y141-F143 VanDerWaalsContact C-N 3.29Å; Y141-F143 PolarHBondContact O-N 3.09Å; Y141-D144 PolarHBondContact O-N 3.35Å; Y141-L145 HydrophobicContact CD1-CD1 4.37Å; Y141-L145 HydrophobicContact CE1-CD1 3.89Å; Y141-L145 HydrophobicContact CE1-CG 4.47Å; Y141-L145 PolarHBondContact O-N 3.35Å; Y141-L145 VanDerWaalsContact O-N 3.1Å; Y141-P153 HydrophobicContact CD2-CB 3.71Å; Y141-P153 HydrophobicContact CD2-CG 4.21Å; Y141-P153 HydrophobicContact CE2-CB 3.74Å; Y141-P153 HydrophobicContact CE2-CG 3.94Å; Y141-G154 WeakPolarHBondContact CE2-O 3.35Å; Y141-G154 PolarHBondContact OH-O 2.84Å; Y141-G154 VanDerWaalsContact OH-O 3.1Å; Y141-W156 HydrophobicContact CD1-CE3 4.05Å; Y141-W156 HydrophobicContact CD2-CE3 4.26Å; Y141-W156 HydrophobicContact CE1-CB 4.34Å; Y141-W156 AromaticContact CG-CE3 3.8Å; Y141-W156 HydrophobicContact CG-CE3 3.8Å; Y141-W156 HydrophobicContact CG-CZ3 4.32Å; Y141-Y159 AromaticContact CD2-CD1 3.86Å; Y141-Y159 HydrophobicContact CD2-CD1 3.86Å; Y141-Y159 AromaticContact CD2-CD2 3.95Å; Y141-Y159 HydrophobicContact CD2-CD2 3.95Å; Y141-Y159 AromaticContact CD2-CG 3.48Å; Y141-Y159 HydrophobicContact CD2-CG 3.48Å; Y141-Y159 VanDerWaalsContact CD2-CG 3.48Å; Y141-Y159 HydrophobicContact CE2-CG 4.37Å; Y141-Y159 HydrophobicContact CG-CD1 4.19Å; Y141-Y159 HydrophobicContact CG-CG 4.27Å; Y141-Y159 VanDerWaalsContact N-CE1 3.34Å
142H98.9Very high98.7Very high24 Ų2418.7 Ų18.711%0.1119%0.091CC..Hα-helixtrans-68.1-30.5179.5-68.681.1000112.9V138 Y140 L145 M146 S254 Y268V138-H142 PolarHBondContact O-N 3.39Å; V138-H142 PolarHBondContact O-ND1 2.89Å; Y140-H142 VanDerWaalsContact C-N 3.33Å; Y140-H142 PolarHBondContact O-N 3.26Å; H142-L145 WeakPolarHBondContact O-CB 3.34Å; H142-L145 PolarHBondContact O-N 3.1Å; H142-M146 WeakPolarHBondContact O-CG 3.48Å; H142-M146 PolarHBondContact O-N 3.45Å; H142-S254 WeakPolarHBondContact O-CB 3.46Å; H142-Y268 AromaticContact CE1-CD1 3.89Å; H142-Y268 AromaticContact CE1-CE1 3.17Å; H142-Y268 WeakPolarHBondContact CE1-CE1 3.39Å; H142-Y268 AromaticContact CE1-CZ 3.33Å; H142-Y268 PolarHBondContact CE1-OH 3.4Å; H142-Y268 AromaticContact NE2-CE1 3.38Å; H142-Y268 WeakPolarHBondContact NE2-CE1 3.39Å; H142-Y268 AromaticContact NE2-CZ 3.54Å; H142-Y268 PolarHBondContact NE2-OH 3.5Å; H142-Y268 VanDerWaalsContact NE2-OH 3.12Å
143F98.9Very high98.7Very high28 Ų2818.8 Ų18.812%0.1239%0.091CC..Hα-helixtrans-67.4-39.1173.9-177.4-113.1000111.5K48 S139 Y140 Y141 L145 M146 N147 M249 F256K48-F143 HydrophobicContact CD-CB 3.78Å; K48-F143 HydrophobicContact CD-CD1 3.97Å; K48-F143 HydrophobicContact CD-CD2 4.29Å; K48-F143 HydrophobicContact CD-CG 3.76Å; S139-F143 WeakPolarHBondContact O-CB 3.37Å; S139-F143 PolarHBondContact O-N 3.12Å; Y140-F143 HydrophobicContact CD2-CB 4.35Å; Y140-F143 HydrophobicContact CD2-CD1 4.01Å; Y140-F143 AromaticContact CE2-CD1 3.9Å; Y140-F143 HydrophobicContact CE2-CD1 3.9Å; Y140-F143 CarbonylContact O-C 3.53Å; Y140-F143 WeakPolarHBondContact O-CA 3.22Å; Y140-F143 WeakPolarHBondContact O-CB 3.38Å; Y140-F143 PolarHBondContact O-N 3.36Å; Y141-F143 VanDerWaalsContact C-N 3.29Å; Y141-F143 PolarHBondContact O-N 3.09Å; F143-L145 VanDerWaalsContact C-N 3.29Å; F143-L145 PolarHBondContact O-N 3.41Å; F143-M146 HydrophobicContact CD2-CG 4.43Å; F143-M146 HydrophobicContact CD2-SD 3.72Å; F143-M146 HydrophobicContact CE2-SD 3.96Å; F143-M146 WeakPolarHBondContact O-CG 3.3Å; F143-M146 PolarHBondContact O-N 3.34Å; F143-N147 HydrophobicContact CD1-CB 4.33Å; F143-N147 HydrophobicContact CD2-CB 4.36Å; F143-N147 HydrophobicContact CE1-CB 4.11Å; F143-N147 WeakPolarHBondContact CE1-ND2 3.47Å; F143-N147 HydrophobicContact CE2-CB 4.13Å; F143-N147 HydrophobicContact CG-CB 4.49Å; F143-N147 HydrophobicContact CZ-CB 4.03Å; F143-N147 WeakPolarHBondContact CZ-ND2 3.36Å; F143-N147 WeakPolarHBondContact O-CB 3.34Å; F143-N147 PolarHBondContact O-N 3.05Å; F143-M249 HydrophobicContact CE2-CE 3.63Å; F143-M249 HydrophobicContact CE2-SD 4.33Å; F143-M249 HydrophobicContact CZ-CE 3.81Å; F143-F256 HydrophobicContact CD2-CD2 4.25Å; F143-F256 HydrophobicContact CD2-CE2 4.46Å; F143-F256 AromaticContact CE2-CD2 3.88Å; F143-F256 HydrophobicContact CE2-CD2 3.88Å; F143-F256 AromaticContact CE2-CE2 3.91Å; F143-F256 HydrophobicContact CE2-CE2 3.91Å
144D98.9Very high98.7Very high7 Ų720.5 Ų20.54%0.03711%0.109CC..Hα-helixtrans-70.2-26.7176.6-69.2-7.1000111.6R9 Y140 Y141 Q150 P153 Y159R9-D144 PolarHBondContact NH1-O 3.28Å; Y140-D144 WeakPolarHBondContact CD2-OD1 3.44Å; Y140-D144 WeakPolarHBondContact CE2-OD1 3.28Å; Y140-D144 PolarHBondContact O-N 3.33Å; Y141-D144 PolarHBondContact O-N 3.35Å; D144-Q150 HydrophobicContact CB-CB 4.12Å; D144-Q150 WeakPolarHBondContact OD1-CG 3.18Å; D144-Q150 PolarHBondContact OD1-NE2 3.35Å; D144-P153 HydrophobicContact CB-CB 3.9Å; D144-P153 HydrophobicContact CB-CG 4.08Å; D144-Y159 HydrophobicContact CB-CE2 4.37Å; D144-Y159 WeakPolarHBondContact OD2-CE2 3.35Å; D144-Y159 PolarHBondContact OD2-OH 3.48Å
145L98.8Very high98.7Very high54 Ų5423.5 Ų23.528%0.28313%0.128SC..Hα-helixtrans-61.9-43.7170-68.2175.5000112.2R9 Y141 H142 F143 P153R9-L145 PolarHBondContact NH2-O 2.85Å; Y141-L145 HydrophobicContact CD1-CD1 4.37Å; Y141-L145 HydrophobicContact CE1-CD1 3.89Å; Y141-L145 HydrophobicContact CE1-CG 4.47Å; Y141-L145 PolarHBondContact O-N 3.35Å; Y141-L145 VanDerWaalsContact O-N 3.1Å; H142-L145 WeakPolarHBondContact O-CB 3.34Å; H142-L145 PolarHBondContact O-N 3.1Å; F143-L145 VanDerWaalsContact C-N 3.29Å; F143-L145 PolarHBondContact O-N 3.41Å; L145-P153 HydrophobicContact CD2-CG 3.53Å; L145-P153 HydrophobicContact CG-CG 3.98Å
146M98.8Very high98.7Very high1 Ų125 Ų251%0.00513%0.134CC..Hα-helixtrans-92.3-27.4-174.766.883.765.100114.6H142 F143 N148 M249 D250 K253 S254 F256H142-M146 WeakPolarHBondContact O-CG 3.48Å; H142-M146 PolarHBondContact O-N 3.45Å; F143-M146 HydrophobicContact CD2-CG 4.43Å; F143-M146 HydrophobicContact CD2-SD 3.72Å; F143-M146 HydrophobicContact CE2-SD 3.96Å; F143-M146 WeakPolarHBondContact O-CG 3.3Å; F143-M146 PolarHBondContact O-N 3.34Å; M146-N148 PolarHBondContact O-N 2.77Å; M146-M249 HydrophobicContact CE-CB 3.59Å; M146-M249 HydrophobicContact CE-CG 3.83Å; M146-M249 HydrophobicContact CE-SD 3.86Å; M146-M249 WeakPolarHBondContact O-CA 3.46Å; M146-M249 HydrophobicContact SD-CB 4.2Å; M146-M249 HydrophobicContact SD-CG 3.88Å; M146-M249 HydrophobicContact SD-SD 4.03Å; M146-D250 VanDerWaalsContact CB-O 3.28Å; M146-D250 WeakPolarHBondContact CB-O 3.28Å; M146-D250 PolarHBondContact O-N 3.49Å; M146-K253 HydrophobicContact CB-CB 4.17Å; M146-S254 WeakPolarHBondContact CB-O 3.03Å; M146-S254 VanDerWaalsContact CG-O 3.29Å; M146-S254 WeakPolarHBondContact CG-O 3.39Å; M146-F256 HydrophobicContact CE-CB 4.25Å
147N98.6Very high98.7Very high6 Ų631.6 Ų31.63%0.03217%0.165CC..BIsolated β-bridgetrans-89.4107.3-178.4-174.7-11.9000110.5R9 F143 L149 Q150 V248R9-N147 PolarHBondContact NH1-O 3.37Å; F143-N147 HydrophobicContact CD1-CB 4.33Å; F143-N147 HydrophobicContact CD2-CB 4.36Å; F143-N147 HydrophobicContact CE1-CB 4.11Å; F143-N147 WeakPolarHBondContact CE1-ND2 3.47Å; F143-N147 HydrophobicContact CE2-CB 4.13Å; F143-N147 HydrophobicContact CG-CB 4.49Å; F143-N147 HydrophobicContact CZ-CB 4.03Å; F143-N147 WeakPolarHBondContact CZ-ND2 3.36Å; F143-N147 WeakPolarHBondContact O-CB 3.34Å; F143-N147 PolarHBondContact O-N 3.05Å; N147-L149 PolarHBondContact O-N 3.46Å; N147-L149 WeakPolarHBondContact OD1-CB 3.38Å; N147-L149 WeakPolarHBondContact OD1-CG 3.2Å; N147-L149 PolarHBondContact OD1-N 2.97Å; N147-Q150 HydrophobicContact CB-CG 4.07Å; N147-Q150 WeakPolarHBondContact O-CB 3.39Å; N147-Q150 PolarHBondContact O-N 3.45Å; N147-Q150 VanDerWaalsContact O-N 3.13Å; N147-V248 CarbonylContact C-O 3.43Å; N147-V248 WeakPolarHBondContact CA-O 3.36Å; N147-V248 PolarHBondContact OD1-O 3.17Å
148N98.3Very high98.7Very high30 Ų3036.8 Ų36.816%0.1619%0.189CC..THydrogen-bonded Turntrans-74-5.6-176.2-69.1-42.6000114.2L8 R9 M146 Q150 T246 T247 V248L8-N148 CarbonylContact C-O 3.45Å; L8-N148 VanDerWaalsContact CA-O 3.32Å; L8-N148 WeakPolarHBondContact CA-O 3.41Å; L8-N148 HydrophobicContact CD2-CB 4.03Å; R9-N148 VanDerWaalsContact CZ-OD1 3.26Å; R9-N148 PolarHBondContact N-O 2.91Å; R9-N148 PolarHBondContact NE-OD1 3.15Å; R9-N148 PolarHBondContact NH2-OD1 2.74Å; M146-N148 PolarHBondContact O-N 2.77Å; N148-Q150 VanDerWaalsContact C-N 3.29Å; N148-T246 PolarHBondContact ND2-O 2.85Å; N148-T246 VanDerWaalsContact ND2-O 3.11Å; N148-T247 WeakPolarHBondContact CB-O 3.27Å; N148-T247 PolarHBondContact ND2-O 3.04Å; N148-V248 PolarHBondContact N-O 3.39Å
149L97.4Very high98.7Very high6 Ų636.9 Ų36.93%0.03119%0.189CC..THydrogen-bonded Turntrans-77.2-19.9169.6-53.3175.7000112.4I7 L8 T21 A23 F24 L86 N147 V248I7-L149 HydrophobicContact CD1-CD2 4.2Å; L8-L149 HydrophobicContact CD2-CD2 3.96Å; T21-L149 HydrophobicContact CG2-CB 3.81Å; T21-L149 WeakPolarHBondContact CG2-O 3.04Å; A23-L149 HydrophobicContact CB-CD2 4.28Å; F24-L149 HydrophobicContact CE1-CD1 4.01Å; F24-L149 HydrophobicContact CZ-CD1 4.05Å; L86-L149 HydrophobicContact CD1-CD1 4.5Å; L86-L149 HydrophobicContact CD2-CD1 3.74Å; L86-L149 HydrophobicContact CD2-CD2 3.51Å; L86-L149 HydrophobicContact CD2-CG 4.27Å; N147-L149 PolarHBondContact O-N 3.46Å; N147-L149 WeakPolarHBondContact OD1-CB 3.38Å; N147-L149 WeakPolarHBondContact OD1-CG 3.2Å; N147-L149 PolarHBondContact OD1-N 2.97Å; L149-V248 HydrophobicContact CD1-CG1 3.93Å; L149-V248 HydrophobicContact CG-CG1 4.08Å
150Q98.6Very high98.7Very high4 Ų436.4 Ų36.42%0.01919%0.186CC..SBendtrans-86.6147.6-177.6-62.3-72.1107.800110.2R9 T21 D144 N147 N148R9-Q150 WeakPolarHBondContact CD-O 3.41Å; R9-Q150 PolarHBondContact NH1-O 3.49Å; R9-Q150 VanDerWaalsContact NH1-O 3.12Å; T21-Q150 PolarHBondContact OG1-OE1 2.82Å; D144-Q150 HydrophobicContact CB-CB 4.12Å; D144-Q150 WeakPolarHBondContact OD1-CG 3.18Å; D144-Q150 PolarHBondContact OD1-NE2 3.35Å; N147-Q150 HydrophobicContact CB-CG 4.07Å; N147-Q150 WeakPolarHBondContact O-CB 3.39Å; N147-Q150 PolarHBondContact O-N 3.45Å; N147-Q150 VanDerWaalsContact O-N 3.13Å; N148-Q150 VanDerWaalsContact C-N 3.29Å
151P98.5Very high98.7Very high24 Ų2440 Ų4016%0.15620%0.202CC..PPolyproline II helixtrans-54.1156.4166.4-13.222.1000110.4K10 L12K10-P151 WeakPolarHBondContact O-CG 3.46Å; L12-P151 HydrophobicContact CD2-CG 3.72Å; L12-P151 HydrophobicContact CG-CG 3.83Å
152F98.6Very high98.6Very high142 Ų14241.5 Ų41.562%0.62321%0.21SC*.PPolyproline II helixtrans-60.2131.5172.2-73.1-72.4000110R9 G154R9-F152 HydrophobicContact CB-CD2 4.23Å; R9-F152 HydrophobicContact CB-CE2 3.77Å; R9-F152 HydrophobicContact CB-CZ 4.26Å; R9-F152 HydrophobicContact CG-CD2 4.37Å; R9-F152 HydrophobicContact CG-CE1 4.28Å; R9-F152 HydrophobicContact CG-CE2 3.71Å; R9-F152 HydrophobicContact CG-CZ 3.66Å; F152-G154 PolarHBondContact O-N 2.84Å
153P98.4Very high98.6Very high3 Ų340.4 Ų40.42%0.01921%0.205CC..  trans-72.5-21.4-17527.3-33.9000112.7Y141 D144 L145 Y159 K162Y141-P153 HydrophobicContact CD2-CB 3.71Å; Y141-P153 HydrophobicContact CD2-CG 4.21Å; Y141-P153 HydrophobicContact CE2-CB 3.74Å; Y141-P153 HydrophobicContact CE2-CG 3.94Å; D144-P153 HydrophobicContact CB-CB 3.9Å; D144-P153 HydrophobicContact CB-CG 4.08Å; L145-P153 HydrophobicContact CD2-CG 3.53Å; L145-P153 HydrophobicContact CG-CG 3.98Å; P153-Y159 HydrophobicContact CB-CD2 3.46Å; P153-Y159 VanDerWaalsContact CB-CD2 3.46Å; P153-Y159 HydrophobicContact CB-CE2 3.89Å; P153-Y159 HydrophobicContact CB-CG 4.29Å; P153-K162 PolarHBondContact O-NZ 3.4Å
154G98.6Very high98.6Very high37 Ų3739.8 Ų39.838%0.38120%0.202SC..  trans78.6-156.2-170.200000111.3Y141 F152Y141-G154 WeakPolarHBondContact CE2-O 3.35Å; Y141-G154 PolarHBondContact OH-O 2.84Å; Y141-G154 VanDerWaalsContact OH-O 3.1Å; F152-G154 PolarHBondContact O-N 2.84Å
155T98.8Very high98.6Very high74 Ų7442.6 Ų42.645%0.45422%0.22SC..SBendtrans-67.7161.8168.563.70000110.8E157 E158 Y159T155-E157 VanDerWaalsContact C-N 3.26Å; T155-E157 PolarHBondContact O-N 3.47Å; T155-E158 WeakPolarHBondContact CB-OE2 3.15Å; T155-E158 PolarHBondContact N-OE2 3.45Å; T155-E158 PolarHBondContact O-N 3.42Å; T155-E158 VanDerWaalsContact OG1-CD 3.3Å; T155-E158 VanDerWaalsContact OG1-CG 3.26Å; T155-E158 WeakPolarHBondContact OG1-CG 3.44Å; T155-E158 PolarHBondContact OG1-N 2.94Å; T155-E158 PolarHBondContact OG1-OE2 3.18Å; T155-Y159 WeakPolarHBondContact O-CB 3.31Å; T155-Y159 PolarHBondContact O-N 2.82Å
156W98.8Very high98.6Very high33 Ų3340.4 Ų40.413%0.12521%0.211CC..Hα-helixtrans-57.3-40.5174.4164.6-116.6000112.3V138 Y141 Y159 L160 Y268 F269V138-W156 HydrophobicContact CB-CH2 4.41Å; V138-W156 HydrophobicContact CG2-CH2 3.45Å; V138-W156 VanDerWaalsContact CG2-CH2 3.45Å; V138-W156 HydrophobicContact CG2-CZ2 3.95Å; V138-W156 HydrophobicContact CG2-CZ3 3.93Å; Y141-W156 HydrophobicContact CD1-CE3 4.05Å; Y141-W156 HydrophobicContact CD2-CE3 4.26Å; Y141-W156 HydrophobicContact CE1-CB 4.34Å; Y141-W156 AromaticContact CG-CE3 3.8Å; Y141-W156 HydrophobicContact CG-CE3 3.8Å; Y141-W156 HydrophobicContact CG-CZ3 4.32Å; W156-Y159 HydrophobicContact CZ3-CD1 4.25Å; W156-Y159 PolarHBondContact O-N 3.25Å; W156-L160 HydrophobicContact CH2-CB 4.33Å; W156-L160 HydrophobicContact CH2-CD1 3.97Å; W156-L160 HydrophobicContact CZ2-CB 4.19Å; W156-L160 HydrophobicContact CZ2-CD1 4.06Å; W156-L160 HydrophobicContact CZ2-CD2 3.98Å; W156-L160 HydrophobicContact CZ2-CG 4.3Å; W156-L160 WeakPolarHBondContact O-CB 3.35Å; W156-L160 PolarHBondContact O-N 3.48Å; W156-Y268 PolarHBondContact NE1-O 3.15Å; W156-Y268 VanDerWaalsContact NE1-O 3.13Å; W156-F269 HydrophobicContact CH2-CD2 4.24Å; W156-F269 AromaticContact CH2-CE2 3.65Å; W156-F269 HydrophobicContact CH2-CE2 3.65Å; W156-F269 HydrophobicContact CH2-CZ 4.13Å; W156-F269 AromaticContact CZ2-CD2 3.58Å; W156-F269 HydrophobicContact CZ2-CD2 3.58Å; W156-F269 AromaticContact CZ2-CE2 3.39Å; W156-F269 HydrophobicContact CZ2-CE2 3.39Å; W156-F269 HydrophobicContact CZ2-CG 4.26Å; W156-F269 AromaticContact CZ2-CZ 3.9Å; W156-F269 HydrophobicContact CZ2-CZ 3.9Å
157E98.8Very high98.6Very high138 Ų13847.2 Ų47.265%0.64524%0.24SC*.Hα-helixtrans-63.4-48.1-179.7-177.2171.1-155.600112.2T155 Y159 L160 E161T155-E157 VanDerWaalsContact C-N 3.26Å; T155-E157 PolarHBondContact O-N 3.47Å; E157-Y159 VanDerWaalsContact C-N 3.27Å; E157-Y159 PolarHBondContact O-N 2.91Å; E157-L160 PolarHBondContact O-N 3.23Å; E157-E161 PolarHBondContact O-N 2.8Å
158E98.8Very high98.6Very high109 Ų10947.1 Ų47.151%0.50924%0.24SC..Hα-helixtrans-61.7-37.8175.1-68.1164.5138.400111.7T155 K162T155-E158 WeakPolarHBondContact CB-OE2 3.15Å; T155-E158 PolarHBondContact N-OE2 3.45Å; T155-E158 PolarHBondContact O-N 3.42Å; T155-E158 VanDerWaalsContact OG1-CD 3.3Å; T155-E158 VanDerWaalsContact OG1-CG 3.26Å; T155-E158 WeakPolarHBondContact OG1-CG 3.44Å; T155-E158 PolarHBondContact OG1-N 2.94Å; T155-E158 PolarHBondContact OG1-OE2 3.18Å; E158-K162 PolarHBondContact O-N 3.33Å
159Y98.9Very high98.6Very high2 Ų245.8 Ų45.81%0.00823%0.233CC..Hα-helixtrans-67.1-45.5179.3-170.5-95.9000112.6Y140 Y141 D144 P153 T155 W156 E157 E161 K162 F163 V168Y140-Y159 VanDerWaalsContact C-OH 3.28Å; Y140-Y159 VanDerWaalsContact CB-OH 3.3Å; Y140-Y159 WeakPolarHBondContact CB-OH 3.08Å; Y140-Y159 WeakPolarHBondContact CD2-OH 3.11Å; Y141-Y159 AromaticContact CD2-CD1 3.86Å; Y141-Y159 HydrophobicContact CD2-CD1 3.86Å; Y141-Y159 AromaticContact CD2-CD2 3.95Å; Y141-Y159 HydrophobicContact CD2-CD2 3.95Å; Y141-Y159 AromaticContact CD2-CG 3.48Å; Y141-Y159 HydrophobicContact CD2-CG 3.48Å; Y141-Y159 VanDerWaalsContact CD2-CG 3.48Å; Y141-Y159 HydrophobicContact CE2-CG 4.37Å; Y141-Y159 HydrophobicContact CG-CD1 4.19Å; Y141-Y159 HydrophobicContact CG-CG 4.27Å; Y141-Y159 VanDerWaalsContact N-CE1 3.34Å; D144-Y159 HydrophobicContact CB-CE2 4.37Å; D144-Y159 WeakPolarHBondContact OD2-CE2 3.35Å; D144-Y159 PolarHBondContact OD2-OH 3.48Å; P153-Y159 HydrophobicContact CB-CD2 3.46Å; P153-Y159 VanDerWaalsContact CB-CD2 3.46Å; P153-Y159 HydrophobicContact CB-CE2 3.89Å; P153-Y159 HydrophobicContact CB-CG 4.29Å; T155-Y159 WeakPolarHBondContact O-CB 3.31Å; T155-Y159 PolarHBondContact O-N 2.82Å; W156-Y159 HydrophobicContact CZ3-CD1 4.25Å; W156-Y159 PolarHBondContact O-N 3.25Å; E157-Y159 VanDerWaalsContact C-N 3.27Å; E157-Y159 PolarHBondContact O-N 2.91Å; Y159-E161 PolarHBondContact O-N 3.45Å; Y159-K162 WeakPolarHBondContact O-CB 3.36Å; Y159-K162 PolarHBondContact O-N 3.38Å; Y159-K162 VanDerWaalsContact O-N 3.14Å; Y159-F163 PolarHBondContact O-N 3.29Å; Y159-V168 HydrophobicContact CE2-CG1 4.31Å
160L98.9Very high98.7Very high7 Ų745.9 Ų45.94%0.03723%0.233CC..Hα-helixtrans-59.2-38.9179.9-178.460.8000111.1W156 E157 F163 I164 F269 Q273 F277W156-L160 HydrophobicContact CH2-CB 4.33Å; W156-L160 HydrophobicContact CH2-CD1 3.97Å; W156-L160 HydrophobicContact CZ2-CB 4.19Å; W156-L160 HydrophobicContact CZ2-CD1 4.06Å; W156-L160 HydrophobicContact CZ2-CD2 3.98Å; W156-L160 HydrophobicContact CZ2-CG 4.3Å; W156-L160 WeakPolarHBondContact O-CB 3.35Å; W156-L160 PolarHBondContact O-N 3.48Å; E157-L160 PolarHBondContact O-N 3.23Å; L160-F163 PolarHBondContact O-N 3.19Å; L160-I164 HydrophobicContact CD1-CD1 4.17Å; L160-I164 HydrophobicContact CD1-CG1 4.28Å; L160-I164 HydrophobicContact CG-CD1 3.9Å; L160-I164 HydrophobicContact CG-CG1 4.45Å; L160-I164 WeakPolarHBondContact O-CB 3.42Å; L160-I164 VanDerWaalsContact O-CG1 3.24Å; L160-I164 WeakPolarHBondContact O-CG1 3.46Å; L160-I164 PolarHBondContact O-N 3.48Å; L160-F269 HydrophobicContact CD1-CE1 3.96Å; L160-F269 HydrophobicContact CD1-CZ 3.67Å; L160-F269 HydrophobicContact CD2-CD1 4.28Å; L160-F269 HydrophobicContact CD2-CE1 3.85Å; L160-F269 HydrophobicContact CD2-CZ 4.26Å; L160-Q273 HydrophobicContact CD2-CB 3.75Å; L160-Q273 HydrophobicContact CD2-CG 3.86Å; L160-F277 HydrophobicContact CD1-CD2 4.03Å; L160-F277 HydrophobicContact CD1-CE2 4.3Å
161E98.7Very high98.7Very high77 Ų7746 Ų4636%0.3624%0.235SC..Hα-helixtrans-63.4-44.4175.2-173.459.2-155.100112.6E157 Y159 F163 I164 T165 K276E157-E161 PolarHBondContact O-N 2.8Å; Y159-E161 PolarHBondContact O-N 3.45Å; E161-F163 VanDerWaalsContact C-N 3.3Å; E161-F163 PolarHBondContact O-N 3.43Å; E161-I164 PolarHBondContact O-N 2.96Å; E161-T165 PolarHBondContact O-N 3.32Å; E161-T165 VanDerWaalsContact O-N 3.11Å; E161-T165 PolarHBondContact O-OG1 2.94Å; E161-K276 IonicContact OE1-NZ 3.51Å; E161-K276 IonicContact OE2-NZ 2.69Å; E161-K276 PolarHBondContact OE2-NZ 2.92Å
162K98.8Very high98.7Very high65 Ų6546 Ų4628%0.28324%0.236SC..Hα-helixtrans-60.5-42174.3-72.3-179.1-67.5-171.40111.4P153 E158 Y159 T165 G166 K167 V168P153-K162 PolarHBondContact O-NZ 3.4Å; E158-K162 PolarHBondContact O-N 3.33Å; Y159-K162 WeakPolarHBondContact O-CB 3.36Å; Y159-K162 PolarHBondContact O-N 3.38Å; Y159-K162 VanDerWaalsContact O-N 3.14Å; K162-T165 PolarHBondContact O-N 3.37Å; K162-T165 PolarHBondContact O-OG1 3.42Å; K162-G166 PolarHBondContact O-N 3.19Å; K162-K167 HydrophobicContact CB-CB 4.29Å; K162-K167 HydrophobicContact CG-CB 4.49Å; K162-K167 PolarHBondContact O-N 3.41Å; K162-V168 HydrophobicContact CB-CG1 4.1Å
163F98.9Very high98.7Very high1 Ų139.3 Ų39.30%0.00421%0.207CC..Hα-helixtrans-62.6-51178.6179.2-89.2000111.8Y46 A133 V136 Y159 L160 E161 T165 G166 V168 W173 F277Y46-F163 AromaticContact CE1-CE2 3.87Å; Y46-F163 HydrophobicContact CE1-CE2 3.87Å; A133-F163 HydrophobicContact CB-CE1 4.44Å; V136-F163 HydrophobicContact CB-CZ 4.46Å; V136-F163 HydrophobicContact CG1-CE2 3.82Å; V136-F163 HydrophobicContact CG1-CZ 3.92Å; Y159-F163 PolarHBondContact O-N 3.29Å; L160-F163 PolarHBondContact O-N 3.19Å; E161-F163 VanDerWaalsContact C-N 3.3Å; E161-F163 PolarHBondContact O-N 3.43Å; F163-T165 VanDerWaalsContact C-N 3.25Å; F163-T165 PolarHBondContact O-N 3.21Å; F163-G166 PolarHBondContact O-N 2.99Å; F163-V168 HydrophobicContact CB-CG1 4.45Å; F163-V168 HydrophobicContact CD2-CG2 4.33Å; F163-W173 HydrophobicContact CE1-CB 4.39Å; F163-W173 HydrophobicContact CE2-CB 4.29Å; F163-W173 HydrophobicContact CZ-CB 3.71Å; F163-W173 HydrophobicContact CZ-CG 4.12Å; F163-F277 HydrophobicContact CD1-CE2 4.27Å; F163-F277 HydrophobicContact CE1-CE2 4.15Å; F163-F277 HydrophobicContact CE1-CZ 4.41Å
164I98.4Very high98.7Very high15 Ų1539.3 Ų39.38%0.07721%0.206CC..Hα-helixtrans-57.3-41.1-179.7-71.7167.5000111L160 E161 G166 F277 I280L160-I164 HydrophobicContact CD1-CD1 4.17Å; L160-I164 HydrophobicContact CD1-CG1 4.28Å; L160-I164 HydrophobicContact CG-CD1 3.9Å; L160-I164 HydrophobicContact CG-CG1 4.45Å; L160-I164 WeakPolarHBondContact O-CB 3.42Å; L160-I164 VanDerWaalsContact O-CG1 3.24Å; L160-I164 WeakPolarHBondContact O-CG1 3.46Å; L160-I164 PolarHBondContact O-N 3.48Å; E161-I164 PolarHBondContact O-N 2.96Å; I164-G166 VanDerWaalsContact C-N 3.29Å; I164-G166 PolarHBondContact O-N 3.18Å; I164-F277 HydrophobicContact CD1-CD2 3.92Å; I164-F277 HydrophobicContact CG1-CD2 3.78Å; I164-F277 HydrophobicContact CG1-CE2 4Å; I164-I280 HydrophobicContact CG2-CB 4.48Å; I164-I280 HydrophobicContact CG2-CD1 3.48Å; I164-I280 VanDerWaalsContact CG2-CD1 3.48Å; I164-I280 HydrophobicContact CG2-CG2 3.95Å
165T98.4Very high98.8Very high66 Ų6640.8 Ų40.841%0.40521%0.208SC..THydrogen-bonded Turntrans-86.25.9-178.857.60000113.9E161 K162 F163 K167E161-T165 PolarHBondContact O-N 3.32Å; E161-T165 VanDerWaalsContact O-N 3.11Å; E161-T165 PolarHBondContact O-OG1 2.94Å; K162-T165 PolarHBondContact O-N 3.37Å; K162-T165 PolarHBondContact O-OG1 3.42Å; F163-T165 VanDerWaalsContact C-N 3.25Å; F163-T165 PolarHBondContact O-N 3.21Å; T165-K167 VanDerWaalsContact C-N 3.25Å; T165-K167 PolarHBondContact O-N 3.47Å
166G98.4Very high98.8Very high9 Ų937.5 Ų37.59%0.09319%0.187CC..THydrogen-bonded Turntrans68.119.3179.100000114.7K162 F163 I164 V168 G171K162-G166 PolarHBondContact O-N 3.19Å; F163-G166 PolarHBondContact O-N 2.99Å; I164-G166 VanDerWaalsContact C-N 3.29Å; I164-G166 PolarHBondContact O-N 3.18Å; G166-V168 PolarHBondContact O-N 3Å; G166-G171 WeakPolarHBondContact O-CA 3.47Å
167K98.8Very high98.8Very high143 Ų14335.9 Ų35.962%0.62218%0.181SC*.  trans-89.541.6178-62.5178.9-176.7173.50112K162 T165K162-K167 HydrophobicContact CB-CB 4.29Å; K162-K167 HydrophobicContact CG-CB 4.49Å; K162-K167 PolarHBondContact O-N 3.41Å; T165-K167 VanDerWaalsContact C-N 3.25Å; T165-K167 PolarHBondContact O-N 3.47Å
168V98.8Very high98.8Very high5 Ų531.4 Ų31.43%0.0316%0.16CC..SBendtrans-126.7164.9175.6-65.50000109L12 P19 Y46 Y140 Y159 K162 F163 G166 Y170 G171L12-V168 VanDerWaalsContact CD1-C 3.44Å; P19-V168 WeakPolarHBondContact CB-O 3.3Å; Y46-V168 WeakPolarHBondContact OH-CG2 3.25Å; Y140-V168 HydrophobicContact CE1-CG2 4.47Å; Y159-V168 HydrophobicContact CE2-CG1 4.31Å; K162-V168 HydrophobicContact CB-CG1 4.1Å; F163-V168 HydrophobicContact CB-CG1 4.45Å; F163-V168 HydrophobicContact CD2-CG2 4.33Å; G166-V168 PolarHBondContact O-N 3Å; V168-Y170 PolarHBondContact O-N 3Å; V168-G171 WeakPolarHBondContact O-CA 3.23Å; V168-G171 PolarHBondContact O-N 3.17Å
169A98.8Very high98.8Very high1 Ų128.6 Ų28.61%0.00815%0.148CC..THydrogen-bonded Turntrans-59141.2179.100000110.6L12 P19 Y140 G171L12-A169 HydrophobicContact CD1-CB 4.43Å; L12-A169 HydrophobicContact CD2-CB 3.9Å; P19-A169 CarbonylContact O-C 3.59Å; P19-A169 WeakPolarHBondContact O-CA 3.5Å; Y140-A169 WeakPolarHBondContact OH-CB 3.28Å; Y140-A169 PolarHBondContact OH-O 3.28Å; A169-G171 PolarHBondContact O-N 3.04Å
170Y98.8Very high98.8Very high8 Ų828.5 Ų28.53%0.03115%0.148CC..THydrogen-bonded Turntrans67.28.1-170.6-51.9-86.6000115.4P19 M20 P47 M81 E83 H109 L110 V168P19-Y170 PolarHBondContact O-N 2.71Å; M20-Y170 HydrophobicContact CE-CD1 3.86Å; M20-Y170 HydrophobicContact CE-CE1 3.42Å; M20-Y170 VanDerWaalsContact CE-CE1 3.42Å; M20-Y170 HydrophobicContact SD-CD1 3.7Å; M20-Y170 HydrophobicContact SD-CE1 3.93Å; M20-Y170 HydrophobicContact SD-CG 4.31Å; P47-Y170 HydrophobicContact CG-CD2 3.44Å; P47-Y170 VanDerWaalsContact CG-CD2 3.44Å; P47-Y170 HydrophobicContact CG-CE2 4.03Å; P47-Y170 HydrophobicContact CG-CG 4.03Å; M81-Y170 WeakPolarHBondContact CE-OH 3.49Å; E83-Y170 HydrophobicContact CG-CE1 4.15Å; E83-Y170 WeakPolarHBondContact CG-OH 3.48Å; E83-Y170 VanDerWaalsContact OE1-CE1 3.28Å; E83-Y170 WeakPolarHBondContact OE1-CE1 3.44Å; E83-Y170 PolarHBondContact OE1-OH 3.12Å; H109-Y170 HydrophobicContact CB-CD1 3.61Å; H109-Y170 HydrophobicContact CB-CD2 4.09Å; H109-Y170 HydrophobicContact CB-CE1 3.37Å; H109-Y170 HydrophobicContact CB-CE2 3.91Å; H109-Y170 HydrophobicContact CB-CG 3.92Å; H109-Y170 WeakPolarHBondContact O-CD1 3.38Å; L110-Y170 HydrophobicContact CD2-CE1 4.34Å; V168-Y170 PolarHBondContact O-N 3Å
171G98.8Very high98.8Very high6 Ų630.6 Ų30.66%0.06216%0.155CC..  trans74.2-148170.100000114.6Y46 G166 V168 A169 W173Y46-G171 WeakPolarHBondContact CE2-O 3.43Å; Y46-G171 PolarHBondContact OH-O 3.03Å; G166-G171 WeakPolarHBondContact O-CA 3.47Å; V168-G171 WeakPolarHBondContact O-CA 3.23Å; V168-G171 PolarHBondContact O-N 3.17Å; A169-G171 PolarHBondContact O-N 3.04Å; G171-W173 PolarHBondContact O-N 2.93Å
172S98.9Very high98.8Very high26 Ų2633.1 Ų33.118%0.18217%0.165CC..  trans-72123.4-175.7173.70000112.1F174 T175 H176S172-F174 PolarHBondContact O-N 2.6Å; S172-F174 WeakPolarHBondContact OG-CB 3.49Å; S172-F174 PolarHBondContact OG-N 3.08Å; S172-T175 PolarHBondContact O-N 3.31Å; S172-T175 PolarHBondContact OG-N 3.45Å; S172-H176 WeakPolarHBondContact O-CB 3.41Å; S172-H176 PolarHBondContact O-N 3.35Å
173W98.9Very high98.8Very high1 Ų133.1 Ų33.10%0.00417%0.165CC..Hα-helixtrans-54.9-41.9169174.393.3000111.4Y46 R131 A133 F163 G171 T175 H176 V177 Y281 M285 F292Y46-W173 HydrophobicContact CD1-CB 4.3Å; Y46-W173 AromaticContact CD1-CD1 3.59Å; Y46-W173 HydrophobicContact CD1-CG 4.35Å; Y46-W173 HydrophobicContact CD2-CB 4.29Å; Y46-W173 HydrophobicContact CE1-CB 4.06Å; Y46-W173 HydrophobicContact CE2-CB 4.05Å; Y46-W173 HydrophobicContact CG-CB 4.38Å; Y46-W173 AromaticContact CG-CD1 3.75Å; Y46-W173 HydrophobicContact CG-CG 4.43Å; R131-W173 WeakPolarHBondContact O-CZ2 3.41Å; R131-W173 PolarHBondContact O-NE1 3.38Å; R131-W173 VanDerWaalsContact O-NE1 3.14Å; A133-W173 HydrophobicContact CB-CD2 3.59Å; A133-W173 HydrophobicContact CB-CE3 3.57Å; A133-W173 HydrophobicContact CB-CG 4.3Å; A133-W173 HydrophobicContact CB-CH2 3.81Å; A133-W173 HydrophobicContact CB-CZ2 3.79Å; A133-W173 HydrophobicContact CB-CZ3 3.7Å; F163-W173 HydrophobicContact CE1-CB 4.39Å; F163-W173 HydrophobicContact CE2-CB 4.29Å; F163-W173 HydrophobicContact CZ-CB 3.71Å; F163-W173 HydrophobicContact CZ-CG 4.12Å; G171-W173 PolarHBondContact O-N 2.93Å; W173-T175 PolarHBondContact O-N 3.07Å; W173-H176 PolarHBondContact O-N 3.35Å; W173-V177 HydrophobicContact CD2-CG1 4.13Å; W173-V177 HydrophobicContact CD2-CG2 4.25Å; W173-V177 HydrophobicContact CE3-CG2 4.14Å; W173-V177 HydrophobicContact CG-CG1 4.42Å; W173-V177 HydrophobicContact CH2-CG2 3.89Å; W173-V177 HydrophobicContact CZ2-CG1 3.91Å; W173-V177 HydrophobicContact CZ2-CG2 4.02Å; W173-V177 HydrophobicContact CZ3-CG2 3.95Å; W173-V177 WeakPolarHBondContact O-CG2 3.39Å; W173-V177 PolarHBondContact O-N 3.27Å; W173-Y281 AromaticContact CH2-CE2 3.69Å; W173-Y281 HydrophobicContact CH2-CE2 3.69Å; W173-Y281 HydrophobicContact CZ3-CD2 4.29Å; W173-Y281 AromaticContact CZ3-CE2 3.61Å; W173-Y281 HydrophobicContact CZ3-CE2 3.61Å; W173-M285 HydrophobicContact CH2-CE 4.03Å; W173-M285 HydrophobicContact CZ3-CE 4.03Å; W173-M285 HydrophobicContact CZ3-CG 4.39Å; W173-M285 HydrophobicContact CZ3-SD 3.95Å; W173-F292 AromaticContact CH2-CD2 3.82Å; W173-F292 HydrophobicContact CH2-CD2 3.82Å; W173-F292 HydrophobicContact CH2-CE1 4.42Å; W173-F292 AromaticContact CH2-CE2 3.55Å; W173-F292 HydrophobicContact CH2-CE2 3.55Å; W173-F292 HydrophobicContact CH2-CG 4.35Å; W173-F292 AromaticContact CH2-CZ 3.89Å; W173-F292 HydrophobicContact CH2-CZ 3.89Å; W173-F292 HydrophobicContact CZ2-CD1 4.22Å; W173-F292 HydrophobicContact CZ2-CD2 4.18Å; W173-F292 AromaticContact CZ2-CE1 3.83Å; W173-F292 HydrophobicContact CZ2-CE1 3.83Å; W173-F292 AromaticContact CZ2-CE2 3.77Å; W173-F292 HydrophobicContact CZ2-CE2 3.77Å; W173-F292 HydrophobicContact CZ2-CG 4.37Å; W173-F292 AromaticContact CZ2-CZ 3.58Å; W173-F292 HydrophobicContact CZ2-CZ 3.58Å
174F98.9Very high98.7Very high2 Ų235.8 Ų35.81%0.00918%0.176CC..Hα-helixtrans-59.7-50.2-178.6-56.1-76.1000111.3S172 H176 K178 I280 Y281 E284 M285S172-F174 PolarHBondContact O-N 2.6Å; S172-F174 WeakPolarHBondContact OG-CB 3.49Å; S172-F174 PolarHBondContact OG-N 3.08Å; F174-H176 VanDerWaalsContact C-N 3.35Å; F174-K178 VanDerWaalsContact O-CB 3.29Å; F174-K178 WeakPolarHBondContact O-CB 3.35Å; F174-K178 WeakPolarHBondContact O-CE 3.05Å; F174-K178 VanDerWaalsContact O-CG 3.23Å; F174-K178 WeakPolarHBondContact O-CG 3.37Å; F174-K178 PolarHBondContact O-N 2.99Å; F174-K178 VanDerWaalsContact O-N 3.11Å; F174-I280 HydrophobicContact CZ-CG2 4.47Å; F174-Y281 AromaticContact CE1-CD2 3.65Å; F174-Y281 HydrophobicContact CE1-CD2 3.65Å; F174-Y281 HydrophobicContact CE1-CE2 4.31Å; F174-Y281 HydrophobicContact CE1-CG 4.28Å; F174-Y281 HydrophobicContact CZ-CD2 4.45Å; F174-E284 HydrophobicContact CB-CB 4.16Å; F174-E284 HydrophobicContact CB-CG 4.32Å; F174-E284 HydrophobicContact CD1-CB 3.48Å; F174-E284 VanDerWaalsContact CD1-CB 3.48Å; F174-E284 HydrophobicContact CD1-CG 4.02Å; F174-E284 HydrophobicContact CD2-CB 4.31Å; F174-E284 HydrophobicContact CD2-CG 3.92Å; F174-E284 HydrophobicContact CE1-CB 3.85Å; F174-E284 HydrophobicContact CE1-CG 4.29Å; F174-E284 HydrophobicContact CE2-CG 4.2Å; F174-E284 HydrophobicContact CG-CB 3.74Å; F174-E284 HydrophobicContact CG-CG 3.84Å; F174-E284 HydrophobicContact CZ-CB 4.41Å; F174-E284 HydrophobicContact CZ-CG 4.38Å; F174-M285 HydrophobicContact CD1-CG 3.96Å; F174-M285 HydrophobicContact CD1-SD 3.83Å; F174-M285 HydrophobicContact CE1-CG 4.3Å
175T98.8Very high98.7Very high68 Ų6841.7 Ų41.742%0.41720%0.204SC..Hα-helixtrans-62.9-45177.7-56.70000110.6S172 W173 K178 N179S172-T175 PolarHBondContact O-N 3.31Å; S172-T175 PolarHBondContact OG-N 3.45Å; W173-T175 PolarHBondContact O-N 3.07Å; T175-K178 PolarHBondContact O-N 2.85Å; T175-N179 WeakPolarHBondContact CG2-ND2 3.15Å; T175-N179 WeakPolarHBondContact O-CB 3.21Å; T175-N179 VanDerWaalsContact O-CG 3.29Å; T175-N179 PolarHBondContact O-N 2.96Å
176H98.9Very high98.7Very high5 Ų544.9 Ų44.92%0.02321%0.214CC..Hα-helixtrans-59.6-51.9-177.4-165.4-84.1000112Y46 H109 L110 Y128 S172 W173 F174 W180Y46-H176 HydrophobicContact CD2-CB 3.68Å; Y46-H176 AromaticContact CD2-CG 3.68Å; Y46-H176 HydrophobicContact CE2-CB 4.38Å; Y46-H176 PolarHBondContact N-CE1 3.36Å; Y46-H176 VanDerWaalsContact N-CE1 3.35Å; H109-H176 PolarHBondContact O-NE2 2.97Å; L110-H176 PolarHBondContact O-NE2 3.07Å; Y128-H176 AromaticContact CE2-CE1 3.71Å; Y128-H176 AromaticContact CE2-ND1 3.94Å; Y128-H176 AromaticContact CZ-ND1 3.81Å; Y128-H176 PolarHBondContact OH-CE1 2.85Å; Y128-H176 PolarHBondContact OH-ND1 3.07Å; Y128-H176 PolarHBondContact OH-O 3.43Å; S172-H176 WeakPolarHBondContact O-CB 3.41Å; S172-H176 PolarHBondContact O-N 3.35Å; W173-H176 PolarHBondContact O-N 3.35Å; F174-H176 VanDerWaalsContact C-N 3.35Å; H176-W180 AromaticContact CE1-CD1 3.47Å; H176-W180 VanDerWaalsContact CE1-CD1 3.47Å; H176-W180 AromaticContact CE1-NE1 3.47Å; H176-W180 PolarHBondContact CE1-NE1 3.36Å; H176-W180 AromaticContact ND1-CD1 3.69Å; H176-W180 AromaticContact NE2-CD1 3.83Å; H176-W180 AromaticContact NE2-NE1 3.53Å; H176-W180 WeakPolarHBondContact O-CB 3.42Å; H176-W180 VanDerWaalsContact O-CD1 3.26Å; H176-W180 PolarHBondContact O-N 2.77Å
177V98.9Very high98.7Very high0 Ų045.5 Ų45.50%022%0.215CC..Hα-helixtrans-68.7-38.7-179.8-58.60000112.6Y128 W173 W181 M285 L290 F292Y128-V177 WeakPolarHBondContact OH-CA 3.38Å; W173-V177 HydrophobicContact CD2-CG1 4.13Å; W173-V177 HydrophobicContact CD2-CG2 4.25Å; W173-V177 HydrophobicContact CE3-CG2 4.14Å; W173-V177 HydrophobicContact CG-CG1 4.42Å; W173-V177 HydrophobicContact CH2-CG2 3.89Å; W173-V177 HydrophobicContact CZ2-CG1 3.91Å; W173-V177 HydrophobicContact CZ2-CG2 4.02Å; W173-V177 HydrophobicContact CZ3-CG2 3.95Å; W173-V177 WeakPolarHBondContact O-CG2 3.39Å; W173-V177 PolarHBondContact O-N 3.27Å; V177-W181 WeakPolarHBondContact O-CB 3.11Å; V177-W181 PolarHBondContact O-N 3.13Å; V177-M285 HydrophobicContact CG2-CE 4.01Å; V177-L290 HydrophobicContact CB-CD1 4.35Å; V177-L290 HydrophobicContact CG2-CD1 4.03Å; V177-F292 HydrophobicContact CB-CZ 4.23Å; V177-F292 HydrophobicContact CG1-CZ 4.26Å; V177-F292 HydrophobicContact CG2-CE2 4.34Å; V177-F292 HydrophobicContact CG2-CZ 4.29Å
178K98.9Very high98.7Very high43 Ų4340.6 Ų40.619%0.18720%0.197CC..Hα-helixtrans-64.6-43.6179.2-75.9-176.4-70.4-1710111.8F174 T175 W181 K182 E284 M285 L290F174-K178 VanDerWaalsContact O-CB 3.29Å; F174-K178 WeakPolarHBondContact O-CB 3.35Å; F174-K178 WeakPolarHBondContact O-CE 3.05Å; F174-K178 VanDerWaalsContact O-CG 3.23Å; F174-K178 WeakPolarHBondContact O-CG 3.37Å; F174-K178 PolarHBondContact O-N 2.99Å; F174-K178 VanDerWaalsContact O-N 3.11Å; T175-K178 PolarHBondContact O-N 2.85Å; K178-W181 PolarHBondContact O-N 2.8Å; K178-K182 WeakPolarHBondContact O-CG 3.24Å; K178-K182 PolarHBondContact O-N 2.94Å; K178-E284 PolarHBondContact NZ-O 3.33Å; K178-E284 IonicContact NZ-OE2 3.18Å; K178-E284 PolarHBondContact NZ-OE2 3.45Å; K178-M285 HydrophobicContact CD-SD 4.16Å; K178-M285 HydrophobicContact CG-CE 4.46Å; K178-M285 HydrophobicContact CG-SD 4.15Å; K178-L290 HydrophobicContact CG-CD1 4.35Å
179N98.8Very high98.7Very high50 Ų5041.1 Ų41.127%0.26720%0.2SC..Hα-helixtrans-72.4-42.3-176.7-70.3-3.5000111.8T112 T175 W181 K182 K183T112-N179 HydrophobicContact CG2-CB 4.35Å; T175-N179 WeakPolarHBondContact CG2-ND2 3.15Å; T175-N179 WeakPolarHBondContact O-CB 3.21Å; T175-N179 VanDerWaalsContact O-CG 3.29Å; T175-N179 PolarHBondContact O-N 2.96Å; N179-W181 VanDerWaalsContact C-N 3.33Å; N179-W181 PolarHBondContact O-N 3.24Å; N179-K182 PolarHBondContact O-N 3.3Å; N179-K183 PolarHBondContact O-N 3.2Å
180W98.9Very high98.7Very high0 Ų042.5 Ų42.50%021%0.207CC..Hα-helixtrans-63.9-37.8173.3-85.2100.7000112.5A44 L110 T112 L115 W120 M126 Y128 H176 K183 K184 I189A44-W180 HydrophobicContact CB-CD2 4.32Å; A44-W180 HydrophobicContact CB-CE3 4.22Å; A44-W180 HydrophobicContact CB-CH2 3.3Å; A44-W180 HydrophobicContact CB-CZ2 3.41Å; A44-W180 VanDerWaalsContact CB-CZ2 3.41Å; A44-W180 HydrophobicContact CB-CZ3 3.74Å; L110-W180 PolarHBondContact O-NE1 2.97Å; L110-W180 VanDerWaalsContact O-NE1 3.12Å; T112-W180 HydrophobicContact CG2-CB 4.22Å; T112-W180 HydrophobicContact CG2-CD2 3.5Å; T112-W180 HydrophobicContact CG2-CE3 4.11Å; T112-W180 HydrophobicContact CG2-CG 3.52Å; T112-W180 HydrophobicContact CG2-CZ2 4.3Å; L115-W180 HydrophobicContact CD2-CH2 3.9Å; L115-W180 HydrophobicContact CD2-CZ2 4.42Å; W120-W180 HydrophobicContact CH2-CH2 4.12Å; W120-W180 HydrophobicContact CH2-CZ3 4.15Å; M126-W180 HydrophobicContact SD-CH2 3.87Å; M126-W180 HydrophobicContact SD-CZ3 3.71Å; Y128-W180 HydrophobicContact CD1-CB 4.26Å; Y128-W180 HydrophobicContact CD2-CB 3.59Å; Y128-W180 AromaticContact CD2-CD2 3.35Å; Y128-W180 HydrophobicContact CD2-CD2 3.35Å; Y128-W180 AromaticContact CD2-CE3 3.55Å; Y128-W180 HydrophobicContact CD2-CE3 3.55Å; Y128-W180 AromaticContact CD2-CG 3.39Å; Y128-W180 HydrophobicContact CD2-CG 3.39Å; Y128-W180 HydrophobicContact CD2-CZ3 4.35Å; Y128-W180 HydrophobicContact CE1-CB 4.01Å; Y128-W180 HydrophobicContact CE2-CB 3.31Å; Y128-W180 AromaticContact CE2-CD1 3.3Å; Y128-W180 AromaticContact CE2-CD2 3.47Å; Y128-W180 HydrophobicContact CE2-CD2 3.47Å; Y128-W180 VanDerWaalsContact CE2-CD2 3.47Å; Y128-W180 AromaticContact CE2-CE2 3.95Å; Y128-W180 HydrophobicContact CE2-CE3 4.16Å; Y128-W180 AromaticContact CE2-CG 3.04Å; Y128-W180 HydrophobicContact CE2-CG 3.04Å; Y128-W180 AromaticContact CE2-NE1 3.8Å; Y128-W180 HydrophobicContact CG-CB 4.03Å; Y128-W180 HydrophobicContact CG-CD2 4.35Å; Y128-W180 HydrophobicContact CG-CE3 4.26Å; Y128-W180 HydrophobicContact CG-CG 4.3Å; Y128-W180 VanDerWaalsContact CZ-CB 3.5Å; Y128-W180 AromaticContact CZ-CD1 3.94Å; Y128-W180 AromaticContact CZ-CG 3.71Å; H176-W180 AromaticContact CE1-CD1 3.47Å; H176-W180 VanDerWaalsContact CE1-CD1 3.47Å; H176-W180 AromaticContact CE1-NE1 3.47Å; H176-W180 PolarHBondContact CE1-NE1 3.36Å; H176-W180 AromaticContact ND1-CD1 3.69Å; H176-W180 AromaticContact NE2-CD1 3.83Å; H176-W180 AromaticContact NE2-NE1 3.53Å; H176-W180 WeakPolarHBondContact O-CB 3.42Å; H176-W180 VanDerWaalsContact O-CD1 3.26Å; H176-W180 PolarHBondContact O-N 2.77Å; W180-K183 PolarHBondContact O-N 3.06Å; W180-K184 PolarHBondContact O-N 2.87Å; W180-I189 HydrophobicContact CE3-CD1 4Å; W180-I189 HydrophobicContact CZ3-CD1 3.99Å
181W98.8Very high98.7Very high51 Ų5143.2 Ų43.219%0.19321%0.21CC..Hα-helixtrans-61.4-44.3173.2177.2-98.3000112.3V177 K178 N179 K183 K184 F191 A289 L290V177-W181 WeakPolarHBondContact O-CB 3.11Å; V177-W181 PolarHBondContact O-N 3.13Å; K178-W181 PolarHBondContact O-N 2.8Å; N179-W181 VanDerWaalsContact C-N 3.33Å; N179-W181 PolarHBondContact O-N 3.24Å; W181-K183 VanDerWaalsContact C-N 3.32Å; W181-K183 PolarHBondContact O-N 3.46Å; W181-K184 HydrophobicContact CD2-CD 4.04Å; W181-K184 VanDerWaalsContact CD2-CE 3.5Å; W181-K184 HydrophobicContact CE3-CD 3.8Å; W181-K184 HydrophobicContact CH2-CD 4.39Å; W181-K184 VanDerWaalsContact CH2-CE 3.47Å; W181-K184 HydrophobicContact CZ3-CD 3.99Å; W181-K184 WeakPolarHBondContact O-CD 3.32Å; W181-K184 WeakPolarHBondContact O-CG 3.37Å; W181-K184 PolarHBondContact O-N 2.93Å; W181-F191 HydrophobicContact CB-CD2 4.38Å; W181-F191 HydrophobicContact CB-CE2 3.8Å; W181-F191 HydrophobicContact CB-CZ 4.32Å; W181-F191 HydrophobicContact CD2-CE2 4.48Å; W181-F191 HydrophobicContact CE3-CB 4.22Å; W181-F191 AromaticContact CE3-CD1 3.6Å; W181-F191 HydrophobicContact CE3-CD1 3.6Å; W181-F191 AromaticContact CE3-CD2 3.62Å; W181-F191 HydrophobicContact CE3-CD2 3.62Å; W181-F191 AromaticContact CE3-CE1 3.74Å; W181-F191 HydrophobicContact CE3-CE1 3.74Å; W181-F191 AromaticContact CE3-CE2 3.74Å; W181-F191 HydrophobicContact CE3-CE2 3.74Å; W181-F191 AromaticContact CE3-CG 3.53Å; W181-F191 HydrophobicContact CE3-CG 3.53Å; W181-F191 AromaticContact CE3-CZ 3.8Å; W181-F191 HydrophobicContact CE3-CZ 3.8Å; W181-F191 HydrophobicContact CZ3-CB 4.16Å; W181-F191 AromaticContact CZ3-CD1 3.65Å; W181-F191 HydrophobicContact CZ3-CD1 3.65Å; W181-F191 HydrophobicContact CZ3-CD2 4.36Å; W181-F191 HydrophobicContact CZ3-CE1 4.07Å; W181-F191 AromaticContact CZ3-CG 3.8Å; W181-F191 HydrophobicContact CZ3-CG 3.8Å; W181-A289 HydrophobicContact CZ2-CB 4.36Å; W181-L290 HydrophobicContact CB-CD1 3.94Å; W181-L290 HydrophobicContact CB-CD2 3.96Å; W181-L290 HydrophobicContact CB-CG 4.08Å; W181-L290 HydrophobicContact CD2-CD2 3.44Å; W181-L290 VanDerWaalsContact CD2-CD2 3.44Å; W181-L290 HydrophobicContact CD2-CG 3.86Å; W181-L290 HydrophobicContact CE3-CD2 3.34Å; W181-L290 HydrophobicContact CE3-CG 4.27Å; W181-L290 HydrophobicContact CG-CD1 4.14Å; W181-L290 HydrophobicContact CG-CD2 3.72Å; W181-L290 HydrophobicContact CG-CG 3.75Å; W181-L290 HydrophobicContact CZ3-CD2 3.98Å
182K98.7Very high98.7Very high130 Ų13043 Ų4357%0.56521%0.208SC*.Hα-helixtrans-62.2-40.3175.7-72.6172.8-179.9-178.60111.8K178 N179 K184 E185K178-K182 WeakPolarHBondContact O-CG 3.24Å; K178-K182 PolarHBondContact O-N 2.94Å; N179-K182 PolarHBondContact O-N 3.3Å; K182-K184 PolarHBondContact O-N 3.42Å; K182-E185 PolarHBondContact O-N 3.47Å
183K98.6Very high98.7Very high65 Ų6543.1 Ų43.128%0.28320%0.204SC..Hα-helixtrans-63.9-21.3-177.9-83.8-67.1175.9-168.50114.7T112 N179 W180 W181 E185 E186 H187 I189T112-K183 HydrophobicContact CG2-CB 4.31Å; T112-K183 HydrophobicContact CG2-CG 3.8Å; N179-K183 PolarHBondContact O-N 3.2Å; W180-K183 PolarHBondContact O-N 3.06Å; W181-K183 VanDerWaalsContact C-N 3.32Å; W181-K183 PolarHBondContact O-N 3.46Å; K183-E185 PolarHBondContact O-N 3.06Å; K183-E186 IonicContact NZ-OE2 3.66Å; K183-E186 PolarHBondContact NZ-OE2 3.37Å; K183-E186 PolarHBondContact O-N 2.79Å; K183-H187 PolarHBondContact O-N 3.25Å; K183-H187 VanDerWaalsContact O-N 3.15Å; K183-I189 HydrophobicContact CB-CD1 3.81Å
184K98.1Very high98.7Very high57 Ų5743.6 Ų43.625%0.24821%0.206CC..THydrogen-bonded Turntrans-64.7-19.7176.688.9-168.9173.351.10113.6W180 W181 K182 E186 I189 F191W180-K184 PolarHBondContact O-N 2.87Å; W181-K184 HydrophobicContact CD2-CD 4.04Å; W181-K184 VanDerWaalsContact CD2-CE 3.5Å; W181-K184 HydrophobicContact CE3-CD 3.8Å; W181-K184 HydrophobicContact CH2-CD 4.39Å; W181-K184 VanDerWaalsContact CH2-CE 3.47Å; W181-K184 HydrophobicContact CZ3-CD 3.99Å; W181-K184 WeakPolarHBondContact O-CD 3.32Å; W181-K184 WeakPolarHBondContact O-CG 3.37Å; W181-K184 PolarHBondContact O-N 2.93Å; K182-K184 PolarHBondContact O-N 3.42Å; K184-E186 VanDerWaalsContact C-N 3.29Å; K184-I189 HydrophobicContact CB-CB 3.87Å; K184-I189 HydrophobicContact CB-CG2 4.35Å; K184-F191 HydrophobicContact CD-CB 4.09Å
185E98.1Very high98.7Very high139 Ų13943.6 Ų43.665%0.6521%0.206SC*.THydrogen-bonded Turntrans-76.1-20.4175.6-56.1-58.4153.200112.3K182 K183K182-E185 PolarHBondContact O-N 3.47Å; K183-E185 PolarHBondContact O-N 3.06Å
186E97.8Very high98.7Very high134 Ų13442.2 Ų42.263%0.62620%0.196SC*.THydrogen-bonded Turntrans-113-9.5-171.7-62.5171.4-163.200112.8K183 K184K183-E186 IonicContact NZ-OE2 3.66Å; K183-E186 PolarHBondContact NZ-OE2 3.37Å; K183-E186 PolarHBondContact O-N 2.79Å; K184-E186 VanDerWaalsContact C-N 3.29Å
187H98.8Very high98.7Very high22 Ų2242.1 Ų42.110%0.10220%0.196CC..SBendtrans-149.2151.7-170.1-151.171.6000111W120 C124 K183 I189W120-H187 HydrophobicContact CE3-CB 4.49Å; W120-H187 AromaticContact CE3-CD2 3.76Å; W120-H187 AromaticContact CE3-CE1 3.88Å; W120-H187 AromaticContact CE3-CG 3.77Å; W120-H187 AromaticContact CE3-ND1 3.85Å; W120-H187 AromaticContact CE3-NE2 3.82Å; W120-H187 HydrophobicContact CZ3-CB 4.36Å; W120-H187 AromaticContact CZ3-CD2 3.85Å; W120-H187 AromaticContact CZ3-CG 3.96Å; W120-H187 PolarHBondContact O-CE1 3.22Å; C124-H187 PolarHBondContact O-NE2 3.13Å; K183-H187 PolarHBondContact O-N 3.25Å; K183-H187 VanDerWaalsContact O-N 3.15Å; H187-I189 VanDerWaalsContact C-N 3.29Å; H187-I189 HydrophobicContact CB-CD1 4.16Å; H187-I189 HydrophobicContact CB-CG1 4.01Å; H187-I189 PolarHBondContact O-N 2.73Å
188P98.8Very high98.7Very high39 Ų3945.2 Ų45.225%0.25321%0.209SC..  trans-66.485.3175.827.9-37.9000111.4N123 M126 F211N123-P188 WeakPolarHBondContact OD1-CD 3.33Å; M126-P188 PolarHBondContact N-O 3.11Å; P188-F211 WeakPolarHBondContact O-CZ 3.3Å
189I98.9Very high98.6Very high16 Ų1646.8 Ų46.88%0.08222%0.217CC..EExtended strand (participates in β ladder)trans-120.6116.2178.9-51.1-175.3000109.7W120 M126 W180 K183 K184 H187 F191W120-I189 HydrophobicContact CZ3-CD1 4.43Å; M126-I189 HydrophobicContact CB-CG1 4.13Å; M126-I189 HydrophobicContact CB-CG2 4.43Å; M126-I189 HydrophobicContact CG-CG1 4.46Å; M126-I189 CarbonylContact O-C 3.59Å; M126-I189 VanDerWaalsContact O-CA 3.27Å; M126-I189 WeakPolarHBondContact O-CA 3.3Å; W180-I189 HydrophobicContact CE3-CD1 4Å; W180-I189 HydrophobicContact CZ3-CD1 3.99Å; K183-I189 HydrophobicContact CB-CD1 3.81Å; K184-I189 HydrophobicContact CB-CB 3.87Å; K184-I189 HydrophobicContact CB-CG2 4.35Å; H187-I189 VanDerWaalsContact C-N 3.29Å; H187-I189 HydrophobicContact CB-CD1 4.16Å; H187-I189 HydrophobicContact CB-CG1 4.01Å; H187-I189 PolarHBondContact O-N 2.73Å; I189-F191 PolarHBondContact O-N 2.92Å
190L98.9Very high98.6Very high30 Ų3047.9 Ų47.916%0.15722%0.223CC..EExtended strand (participates in β ladder)trans-80.7107.7165178.263.5000108.9M126 I127 Y128 L192 K207 I208 F211M126-L190 PolarHBondContact O-N 3.12Å; I127-L190 WeakPolarHBondContact CA-O 3.28Å; I127-L190 HydrophobicContact CG1-CB 4.48Å; Y128-L190 PolarHBondContact N-O 2.96Å; L190-L192 HydrophobicContact CD1-CD2 4.01Å; L190-L192 HydrophobicContact CD2-CD1 4.08Å; L190-L192 HydrophobicContact CD2-CD2 4.09Å; L190-L192 HydrophobicContact CD2-CG 4.19Å; L190-L192 HydrophobicContact CG-CD1 4.35Å; L190-L192 HydrophobicContact CG-CD2 3.89Å; L190-L192 HydrophobicContact CG-CG 3.95Å; L190-K207 HydrophobicContact CD1-CB 4.45Å; L190-K207 HydrophobicContact CD2-CB 4.46Å; L190-I208 HydrophobicContact CD2-CB 4.38Å; L190-I208 HydrophobicContact CD2-CG1 3.87Å; L190-F211 HydrophobicContact CB-CB 4.37Å; L190-F211 HydrophobicContact CB-CD1 3.72Å; L190-F211 HydrophobicContact CB-CD2 3.83Å; L190-F211 HydrophobicContact CB-CE1 3.86Å; L190-F211 HydrophobicContact CB-CE2 3.97Å; L190-F211 HydrophobicContact CB-CG 3.7Å; L190-F211 HydrophobicContact CB-CZ 3.98Å; L190-F211 HydrophobicContact CD2-CB 3.8Å; L190-F211 HydrophobicContact CD2-CD1 4.11Å; L190-F211 HydrophobicContact CD2-CG 4Å; L190-F211 HydrophobicContact CG-CG 4.36Å
191F98.9Very high98.6Very high23 Ų2349.7 Ų49.710%0.10124%0.235CC..EExtended strand (participates in β ladder)trans-90.9122.7175.8-159.7-73.4000110.4Y128 A130 W181 K184 I189 Y193 L290Y128-F191 HydrophobicContact CD1-CD1 4.48Å; Y128-F191 AromaticContact CD1-CD2 3.47Å; Y128-F191 HydrophobicContact CD1-CD2 3.47Å; Y128-F191 VanDerWaalsContact CD1-CD2 3.47Å; Y128-F191 HydrophobicContact CD1-CE1 4.2Å; Y128-F191 AromaticContact CD1-CE2 3.12Å; Y128-F191 HydrophobicContact CD1-CE2 3.12Å; Y128-F191 HydrophobicContact CD1-CG 4.16Å; Y128-F191 AromaticContact CD1-CZ 3.54Å; Y128-F191 HydrophobicContact CD1-CZ 3.54Å; Y128-F191 HydrophobicContact CE1-CD2 4.21Å; Y128-F191 HydrophobicContact CE1-CE1 4.46Å; Y128-F191 AromaticContact CE1-CE2 3.39Å; Y128-F191 HydrophobicContact CE1-CE2 3.39Å; Y128-F191 AromaticContact CE1-CZ 3.54Å; Y128-F191 HydrophobicContact CE1-CZ 3.54Å; Y128-F191 HydrophobicContact CG-CD2 4.08Å; Y128-F191 HydrophobicContact CG-CE2 4.05Å; Y128-F191 CarbonylContact O-C 3.47Å; Y128-F191 WeakPolarHBondContact O-CA 3.49Å; A130-F191 HydrophobicContact CB-CE1 3.58Å; A130-F191 HydrophobicContact CB-CZ 3.64Å; W181-F191 HydrophobicContact CB-CD2 4.38Å; W181-F191 HydrophobicContact CB-CE2 3.8Å; W181-F191 HydrophobicContact CB-CZ 4.32Å; W181-F191 HydrophobicContact CD2-CE2 4.48Å; W181-F191 HydrophobicContact CE3-CB 4.22Å; W181-F191 AromaticContact CE3-CD1 3.6Å; W181-F191 HydrophobicContact CE3-CD1 3.6Å; W181-F191 AromaticContact CE3-CD2 3.62Å; W181-F191 HydrophobicContact CE3-CD2 3.62Å; W181-F191 AromaticContact CE3-CE1 3.74Å; W181-F191 HydrophobicContact CE3-CE1 3.74Å; W181-F191 AromaticContact CE3-CE2 3.74Å; W181-F191 HydrophobicContact CE3-CE2 3.74Å; W181-F191 AromaticContact CE3-CG 3.53Å; W181-F191 HydrophobicContact CE3-CG 3.53Å; W181-F191 AromaticContact CE3-CZ 3.8Å; W181-F191 HydrophobicContact CE3-CZ 3.8Å; W181-F191 HydrophobicContact CZ3-CB 4.16Å; W181-F191 AromaticContact CZ3-CD1 3.65Å; W181-F191 HydrophobicContact CZ3-CD1 3.65Å; W181-F191 HydrophobicContact CZ3-CD2 4.36Å; W181-F191 HydrophobicContact CZ3-CE1 4.07Å; W181-F191 AromaticContact CZ3-CG 3.8Å; W181-F191 HydrophobicContact CZ3-CG 3.8Å; K184-F191 HydrophobicContact CD-CB 4.09Å; I189-F191 PolarHBondContact O-N 2.92Å; F191-Y193 HydrophobicContact CD1-CE2 4.23Å; F191-Y193 HydrophobicContact CE1-CD1 4.43Å; F191-Y193 AromaticContact CE1-CE1 3.83Å; F191-Y193 HydrophobicContact CE1-CE1 3.83Å; F191-Y193 HydrophobicContact CE1-CE2 4.31Å; F191-Y193 AromaticContact CE1-CZ 3.77Å; F191-L290 HydrophobicContact CE1-CD2 3.81Å; F191-L290 HydrophobicContact CE2-CD2 4.45Å; F191-L290 HydrophobicContact CZ-CD2 3.63Å
192L98.9Very high98.5Very high2 Ų250 Ų501%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-123.4160.3-177.9-60.7176.3000111.2I127 Y128 L129 A130 L190 M197 K207 I208I127-L192 HydrophobicContact CG2-CD1 3.84Å; Y128-L192 PolarHBondContact O-N 2.71Å; L129-L192 HydrophobicContact CD1-CB 3.73Å; A130-L192 PolarHBondContact N-O 3.25Å; L190-L192 HydrophobicContact CD1-CD2 4.01Å; L190-L192 HydrophobicContact CD2-CD1 4.08Å; L190-L192 HydrophobicContact CD2-CD2 4.09Å; L190-L192 HydrophobicContact CD2-CG 4.19Å; L190-L192 HydrophobicContact CG-CD1 4.35Å; L190-L192 HydrophobicContact CG-CD2 3.89Å; L190-L192 HydrophobicContact CG-CG 3.95Å; L192-M197 HydrophobicContact CD1-SD 4.46Å; L192-K207 HydrophobicContact CD2-CB 4.5Å; L192-K207 HydrophobicContact CD2-CD 4.13Å; L192-I208 HydrophobicContact CD1-CD1 3.81Å; L192-I208 HydrophobicContact CD1-CG1 3.7Å
193Y98.9Very high98.5Very high28 Ų2847.3 Ų47.311%0.1123%0.227CC..EExtended strand (participates in β ladder)trans-116.5134.3173-62.3-85.6000110.7A130 F191 E195 D196 M197 L290 F292A130-Y193 HydrophobicContact CB-CD1 4.31Å; A130-Y193 CarbonylContact O-C 3.45Å; A130-Y193 WeakPolarHBondContact O-CA 3.25Å; F191-Y193 HydrophobicContact CD1-CE2 4.23Å; F191-Y193 HydrophobicContact CE1-CD1 4.43Å; F191-Y193 AromaticContact CE1-CE1 3.83Å; F191-Y193 HydrophobicContact CE1-CE1 3.83Å; F191-Y193 HydrophobicContact CE1-CE2 4.31Å; F191-Y193 AromaticContact CE1-CZ 3.77Å; Y193-E195 PolarHBondContact O-N 2.91Å; Y193-D196 PolarHBondContact O-N 3.25Å; Y193-M197 WeakPolarHBondContact O-CG 3.46Å; Y193-M197 PolarHBondContact O-N 2.69Å; Y193-M197 VanDerWaalsContact O-N 3.09Å; Y193-L290 HydrophobicContact CE1-CD2 4.3Å; Y193-L290 VanDerWaalsContact OH-CD2 3.23Å; Y193-L290 WeakPolarHBondContact OH-CD2 3.32Å; Y193-F292 AromaticContact CD1-CD1 3.84Å; Y193-F292 HydrophobicContact CD1-CD1 3.84Å; Y193-F292 AromaticContact CD1-CE1 3.75Å; Y193-F292 HydrophobicContact CD1-CE1 3.75Å; Y193-F292 HydrophobicContact CD1-CZ 4.46Å; Y193-F292 AromaticContact CE1-CD1 3.94Å; Y193-F292 HydrophobicContact CE1-CD1 3.94Å; Y193-F292 AromaticContact CE1-CE1 3.7Å; Y193-F292 HydrophobicContact CE1-CE1 3.7Å; Y193-F292 HydrophobicContact CE1-CE2 4.42Å; Y193-F292 HydrophobicContact CE1-CG 4.4Å; Y193-F292 AromaticContact CE1-CZ 3.97Å; Y193-F292 HydrophobicContact CE1-CZ 3.97Å
194Y98.9Very high98.5Very high12 Ų1244.8 Ų44.85%0.04722%0.216CC..Hα-helixtrans-57.1-38.2176.6176.6-90000111.4W53 A130 R131 M197 K198 G260W53-Y194 AromaticContact CE3-CD2 3.86Å; W53-Y194 HydrophobicContact CE3-CD2 3.86Å; W53-Y194 AromaticContact CE3-CE2 3.57Å; W53-Y194 HydrophobicContact CE3-CE2 3.57Å; W53-Y194 AromaticContact CZ3-CD2 3.81Å; W53-Y194 HydrophobicContact CZ3-CD2 3.81Å; W53-Y194 AromaticContact CZ3-CE2 3.59Å; W53-Y194 HydrophobicContact CZ3-CE2 3.59Å; A130-Y194 WeakPolarHBondContact O-CB 3.36Å; A130-Y194 PolarHBondContact O-N 3.31Å; R131-Y194 HydrophobicContact CB-CG 4.26Å; R131-Y194 HydrophobicContact CG-CD1 3.87Å; R131-Y194 HydrophobicContact CG-CG 3.84Å; Y194-M197 PolarHBondContact O-N 2.9Å; Y194-K198 HydrophobicContact CD1-CG 3.92Å; Y194-K198 HydrophobicContact CE1-CD 4.13Å; Y194-K198 HydrophobicContact CE1-CG 3.41Å; Y194-K198 VanDerWaalsContact CE1-CG 3.41Å; Y194-K198 HydrophobicContact CE2-CG 4.43Å; Y194-K198 WeakPolarHBondContact O-CB 3.48Å; Y194-K198 WeakPolarHBondContact O-CG 3.45Å; Y194-K198 PolarHBondContact O-N 3.02Å; Y194-G260 WeakPolarHBondContact OH-CA 3.36Å; Y194-G260 PolarHBondContact OH-O 2.85Å
195E98.8Very high98.6Very high1 Ų142 Ų421%0.00520%0.204CC..Hα-helixtrans-65.7-40.2-179.7-64.678.2-158.100112.1R131 N132 Y193 K198 E199 A262 R293 I296R131-E195 VanDerWaalsContact CG-OE1 3.27Å; R131-E195 WeakPolarHBondContact CG-OE1 3.17Å; N132-E195 WeakPolarHBondContact CB-OE1 3.35Å; N132-E195 PolarHBondContact N-OE1 2.87Å; N132-E195 PolarHBondContact ND2-OE1 2.84Å; Y193-E195 PolarHBondContact O-N 2.91Å; E195-K198 PolarHBondContact O-N 3.27Å; E195-E199 WeakPolarHBondContact O-CB 3.47Å; E195-E199 PolarHBondContact O-N 3.03Å; E195-A262 HydrophobicContact CG-CB 4.07Å; E195-R293 HydrophobicContact CB-CB 4.3Å; E195-R293 HydrophobicContact CG-CB 4.31Å; E195-R293 VanDerWaalsContact CG-O 3.3Å; E195-R293 WeakPolarHBondContact CG-O 3.34Å; E195-I296 HydrophobicContact CB-CG2 3.94Å
196D98.7Very high98.6Very high40 Ų4038 Ų3821%0.21419%0.185CC..Hα-helixtrans-65.7-42.2175.1-60.2-6.2000110.4Y193 K198 E199 N200 E204 R293Y193-D196 PolarHBondContact O-N 3.25Å; D196-K198 PolarHBondContact O-N 2.67Å; D196-E199 PolarHBondContact O-N 3.46Å; D196-N200 PolarHBondContact O-N 3.19Å; D196-E204 HydrophobicContact CB-CG 3.93Å; D196-R293 IonicContact OD1-CZ 2.69Å; D196-R293 IonicContact OD1-NE 2.88Å; D196-R293 IonicContact OD1-NH2 3.92Å; D196-R293 PolarHBondContact OD1-NH2 2.91Å
197M98.5Very high98.7Very high2 Ų235 Ų351%0.0117%0.17CC..Hα-helixtrans-62.6-34.7175.7-66.9-173.373.600111.8W53 V54 I57 L129 L192 Y193 Y194 P201 E204 I208W53-M197 HydrophobicContact CD2-CE 4.41Å; W53-M197 HydrophobicContact CE3-CB 4.46Å; W53-M197 HydrophobicContact CE3-CE 4.49Å; W53-M197 VanDerWaalsContact CH2-C 3.47Å; W53-M197 HydrophobicContact CH2-CB 3.55Å; W53-M197 WeakPolarHBondContact CH2-O 3.34Å; W53-M197 HydrophobicContact CZ2-CB 4.32Å; W53-M197 HydrophobicContact CZ3-CB 3.62Å; V54-M197 HydrophobicContact CB-CE 4.49Å; I57-M197 HydrophobicContact CD1-CE 3.34Å; L129-M197 HydrophobicContact CD1-CG 4.41Å; L129-M197 HydrophobicContact CD1-SD 3.54Å; L129-M197 VanDerWaalsContact CD1-SD 3.54Å; L129-M197 HydrophobicContact CD2-SD 3.87Å; L129-M197 HydrophobicContact CG-SD 4.36Å; L192-M197 HydrophobicContact CD1-SD 4.46Å; Y193-M197 WeakPolarHBondContact O-CG 3.46Å; Y193-M197 PolarHBondContact O-N 2.69Å; Y193-M197 VanDerWaalsContact O-N 3.09Å; Y194-M197 PolarHBondContact O-N 2.9Å; M197-P201 WeakPolarHBondContact O-CA 3.35Å; M197-P201 WeakPolarHBondContact O-CB 3.39Å; M197-P201 WeakPolarHBondContact O-CD 3.49Å; M197-E204 HydrophobicContact CB-CB 4.44Å; M197-E204 HydrophobicContact CB-CG 4.35Å; M197-E204 HydrophobicContact CG-CB 3.75Å; M197-E204 HydrophobicContact CG-CG 3.88Å; M197-I208 HydrophobicContact CE-CD1 4.47Å
198K98.1Very high98.7Very high65 Ų6534 Ų3428%0.28317%0.165SC..Hα-helixtrans-72.9-36.8177.5-81.6-59.4-48.9-172.90112.8W53 Y194 E195 D196 G260 I296W53-K198 HydrophobicContact CH2-CD 3.57Å; W53-K198 HydrophobicContact CH2-CG 3.92Å; W53-K198 HydrophobicContact CZ3-CD 3.79Å; W53-K198 HydrophobicContact CZ3-CG 3.9Å; Y194-K198 HydrophobicContact CD1-CG 3.92Å; Y194-K198 HydrophobicContact CE1-CD 4.13Å; Y194-K198 HydrophobicContact CE1-CG 3.41Å; Y194-K198 VanDerWaalsContact CE1-CG 3.41Å; Y194-K198 HydrophobicContact CE2-CG 4.43Å; Y194-K198 WeakPolarHBondContact O-CB 3.48Å; Y194-K198 WeakPolarHBondContact O-CG 3.45Å; Y194-K198 PolarHBondContact O-N 3.02Å; E195-K198 PolarHBondContact O-N 3.27Å; D196-K198 PolarHBondContact O-N 2.67Å; K198-G260 WeakPolarHBondContact CD-O 3.45Å; K198-G260 VanDerWaalsContact CE-O 3.23Å; K198-G260 WeakPolarHBondContact CE-O 3.33Å; K198-G260 PolarHBondContact NZ-O 3.13Å; K198-I296 HydrophobicContact CB-CD1 3.64Å
199E98.1Very high98.7Very high76 Ų7632.8 Ų32.836%0.35516%0.156SC..Hα-helixtrans-79.8-43.9-178.2-176.3176.8-113.800112.2E195 D196 R293 I296E195-E199 WeakPolarHBondContact O-CB 3.47Å; E195-E199 PolarHBondContact O-N 3.03Å; D196-E199 PolarHBondContact O-N 3.46Å; E199-R293 IonicContact OE1-CZ 2.96Å; E199-R293 IonicContact OE1-NH1 3.92Å; E199-R293 PolarHBondContact OE1-NH1 3.4Å; E199-R293 IonicContact OE2-CZ 2.78Å; E199-R293 IonicContact OE2-NH1 3.68Å; E199-R293 PolarHBondContact OE2-NH1 2.89Å; E199-R293 IonicContact OE2-NH2 2.77Å; E199-R293 PolarHBondContact OE2-NH2 3.41Å; E199-I296 HydrophobicContact CB-CD1 4.27Å; E199-I296 HydrophobicContact CB-CG2 4.38Å
200N98.1Very high98.7Very high73 Ų7339 Ų3939%0.3918%0.178SC..  trans-140.377-179.7-167.2-17.2000111.6D196 K202 E203 E204D196-N200 PolarHBondContact O-N 3.19Å; N200-K202 PolarHBondContact O-N 2.97Å; N200-K202 VanDerWaalsContact O-N 3.16Å; N200-K202 PolarHBondContact OD1-N 3.15Å; N200-E203 WeakPolarHBondContact ND2-CG 3.45Å; N200-E203 PolarHBondContact O-N 2.8Å; N200-E203 PolarHBondContact OD1-N 3.19Å; N200-E204 PolarHBondContact O-N 2.92Å
201P98.1Very high98.7Very high38 Ų3839.6 Ų39.625%0.24718%0.18CC..Hα-helixtrans-59.8-30-178.723-33.7000112.6M197 I205 I225M197-P201 WeakPolarHBondContact O-CA 3.35Å; M197-P201 WeakPolarHBondContact O-CB 3.39Å; M197-P201 WeakPolarHBondContact O-CD 3.49Å; P201-I205 HydrophobicContact CB-CD1 4.41Å; P201-I205 VanDerWaalsContact O-CB 3.25Å; P201-I205 WeakPolarHBondContact O-CB 3.35Å; P201-I205 WeakPolarHBondContact O-CD1 3.02Å; P201-I205 WeakPolarHBondContact O-CG1 3.37Å; P201-I205 PolarHBondContact O-N 2.76Å; P201-I225 HydrophobicContact CB-CG2 4.35Å; P201-I225 HydrophobicContact CG-CG2 4.05Å
202K98.6Very high98.7Very high59 Ų5939.3 Ų39.326%0.25718%0.179SC..Hα-helixtrans-61.7-49.3-179.7-170.2163.9-1731410111.8N200 K206 L221 D222 I225N200-K202 PolarHBondContact O-N 2.97Å; N200-K202 VanDerWaalsContact O-N 3.16Å; N200-K202 PolarHBondContact OD1-N 3.15Å; K202-K206 VanDerWaalsContact O-CG 3.3Å; K202-K206 WeakPolarHBondContact O-CG 3.49Å; K202-K206 PolarHBondContact O-N 3.12Å; K202-L221 HydrophobicContact CD-CD2 4.44Å; K202-L221 HydrophobicContact CG-CD2 3.82Å; K202-L221 HydrophobicContact CG-CG 4.31Å; K202-D222 IonicContact NZ-OD1 2.76Å; K202-D222 PolarHBondContact NZ-OD1 3.1Å; K202-D222 IonicContact NZ-OD2 3.27Å; K202-I225 HydrophobicContact CB-CD1 3.63Å; K202-I225 HydrophobicContact CD-CD1 4.29Å; K202-I225 HydrophobicContact CG-CD1 3.84Å
203E98.6Very high98.7Very high72 Ų7246.3 Ų46.334%0.33621%0.212SC..Hα-helixtrans-71.8-38.1-178.9-69.2-53.3126.500112.5N200 K206 K207N200-E203 WeakPolarHBondContact ND2-CG 3.45Å; N200-E203 PolarHBondContact O-N 2.8Å; N200-E203 PolarHBondContact OD1-N 3.19Å; E203-K206 WeakPolarHBondContact O-CB 3.48Å; E203-K206 PolarHBondContact O-N 3.36Å; E203-K206 WeakPolarHBondContact OE1-CD 3.27Å; E203-K206 IonicContact OE1-NZ 3.47Å; E203-K206 PolarHBondContact OE1-NZ 2.72Å; E203-K207 WeakPolarHBondContact O-CG 3.49Å; E203-K207 PolarHBondContact O-N 3.47Å; E203-K207 VanDerWaalsContact O-N 3.07Å
204E98.8Very high98.6Very high12 Ų1247.6 Ų47.66%0.05622%0.218CC..Hα-helixtrans-67.7-40.1176.5-61-46.6108.800112.3D196 M197 N200 K206 K207 I208D196-E204 HydrophobicContact CB-CG 3.93Å; M197-E204 HydrophobicContact CB-CB 4.44Å; M197-E204 HydrophobicContact CB-CG 4.35Å; M197-E204 HydrophobicContact CG-CB 3.75Å; M197-E204 HydrophobicContact CG-CG 3.88Å; N200-E204 PolarHBondContact O-N 2.92Å; E204-K206 VanDerWaalsContact C-N 3.33Å; E204-K206 PolarHBondContact O-N 3.18Å; E204-K207 WeakPolarHBondContact O-CB 3.18Å; E204-K207 PolarHBondContact O-N 2.76Å; E204-K207 VanDerWaalsContact O-N 3.15Å; E204-K207 VanDerWaalsContact OE1-CE 3.25Å; E204-K207 WeakPolarHBondContact OE1-CE 3.25Å; E204-K207 IonicContact OE1-NZ 3.95Å; E204-K207 PolarHBondContact OE1-NZ 3.35Å; E204-K207 WeakPolarHBondContact OE2-CD 3.29Å; E204-K207 IonicContact OE2-NZ 2.66Å; E204-K207 PolarHBondContact OE2-NZ 2.86Å; E204-I208 PolarHBondContact O-N 3.27Å
205I98.9Very high98.6Very high0 Ų054.5 Ų54.50%026%0.256CS..Hα-helixtrans-64.2-39.2174.5-70166.1000110.5I57 I61 P201 K207 I208 I209 L221 I224 I225I57-I205 HydrophobicContact CD1-CD1 4.23Å; I57-I205 HydrophobicContact CD1-CG1 4.13Å; I57-I205 HydrophobicContact CG1-CD1 4.39Å; I57-I205 HydrophobicContact CG1-CG1 4.47Å; I57-I205 HydrophobicContact CG2-CG1 3.94Å; I57-I205 HydrophobicContact CG2-CG2 4.41Å; I61-I205 HydrophobicContact CD1-CG2 4.24Å; P201-I205 HydrophobicContact CB-CD1 4.41Å; P201-I205 VanDerWaalsContact O-CB 3.25Å; P201-I205 WeakPolarHBondContact O-CB 3.35Å; P201-I205 WeakPolarHBondContact O-CD1 3.02Å; P201-I205 WeakPolarHBondContact O-CG1 3.37Å; P201-I205 PolarHBondContact O-N 2.76Å; I205-K207 VanDerWaalsContact C-N 3.29Å; I205-K207 PolarHBondContact O-N 3.44Å; I205-I208 PolarHBondContact O-N 2.95Å; I205-I208 VanDerWaalsContact O-N 3.12Å; I205-I209 HydrophobicContact CG2-CD1 3.84Å; I205-I209 HydrophobicContact CG2-CG1 4.25Å; I205-I209 WeakPolarHBondContact O-CG1 3.27Å; I205-I209 PolarHBondContact O-N 3.47Å; I205-L221 HydrophobicContact CB-CD1 3.9Å; I205-L221 HydrophobicContact CG2-CD1 3.41Å; I205-L221 VanDerWaalsContact CG2-CD1 3.41Å; I205-I224 HydrophobicContact CD1-CG2 4.04Å; I205-I224 HydrophobicContact CG2-CG2 4.23Å; I205-I225 HydrophobicContact CD1-CG1 3.66Å
206K98.9Very high98.5Very high54 Ų5456 Ų5624%0.23526%0.264CS..Hα-helixtrans-60-36.2173-75.8173.3-179.5173.70112.8K202 E203 E204 I208 I209 R210 L221K202-K206 VanDerWaalsContact O-CG 3.3Å; K202-K206 WeakPolarHBondContact O-CG 3.49Å; K202-K206 PolarHBondContact O-N 3.12Å; E203-K206 WeakPolarHBondContact O-CB 3.48Å; E203-K206 PolarHBondContact O-N 3.36Å; E203-K206 WeakPolarHBondContact OE1-CD 3.27Å; E203-K206 IonicContact OE1-NZ 3.47Å; E203-K206 PolarHBondContact OE1-NZ 2.72Å; E204-K206 VanDerWaalsContact C-N 3.33Å; E204-K206 PolarHBondContact O-N 3.18Å; K206-I208 VanDerWaalsContact C-N 3.35Å; K206-I209 PolarHBondContact O-N 2.96Å; K206-R210 WeakPolarHBondContact O-CG 3.48Å; K206-R210 PolarHBondContact O-N 3.15Å; K206-L221 HydrophobicContact CD-CD2 4.16Å; K206-L221 HydrophobicContact CG-CD2 3.68Å
207K98.9Very high98.4Very high72 Ų7258.3 Ų58.331%0.31328%0.276SS..Hα-helixtrans-61.2-44.3173.5-67172.5-173.9169.10110.9L190 L192 E203 E204 I205 R210 F211L190-K207 HydrophobicContact CD1-CB 4.45Å; L190-K207 HydrophobicContact CD2-CB 4.46Å; L192-K207 HydrophobicContact CD2-CB 4.5Å; L192-K207 HydrophobicContact CD2-CD 4.13Å; E203-K207 WeakPolarHBondContact O-CG 3.49Å; E203-K207 PolarHBondContact O-N 3.47Å; E203-K207 VanDerWaalsContact O-N 3.07Å; E204-K207 WeakPolarHBondContact O-CB 3.18Å; E204-K207 PolarHBondContact O-N 2.76Å; E204-K207 VanDerWaalsContact O-N 3.15Å; E204-K207 VanDerWaalsContact OE1-CE 3.25Å; E204-K207 WeakPolarHBondContact OE1-CE 3.25Å; E204-K207 IonicContact OE1-NZ 3.95Å; E204-K207 PolarHBondContact OE1-NZ 3.35Å; E204-K207 WeakPolarHBondContact OE2-CD 3.29Å; E204-K207 IonicContact OE2-NZ 2.66Å; E204-K207 PolarHBondContact OE2-NZ 2.86Å; I205-K207 VanDerWaalsContact C-N 3.29Å; I205-K207 PolarHBondContact O-N 3.44Å; K207-R210 PolarHBondContact O-N 3.38Å; K207-F211 WeakPolarHBondContact O-CB 3.37Å; K207-F211 PolarHBondContact O-N 3.15Å
208I98.9Very high98.4Very high0 Ų062.9 Ų62.90%030%0.301CS..Hα-helixtrans-63.8-46.8177.3-59.4167.2000110.6V54 I57 I61 I127 L190 L192 M197 E204 I205 K206 R210 F211 L212V54-I208 HydrophobicContact CG2-CD1 3.98Å; I57-I208 HydrophobicContact CG2-CD1 3.85Å; I61-I208 HydrophobicContact CD1-CB 3.98Å; I61-I208 HydrophobicContact CD1-CG2 3.54Å; I127-I208 HydrophobicContact CD1-CG2 3.79Å; L190-I208 HydrophobicContact CD2-CB 4.38Å; L190-I208 HydrophobicContact CD2-CG1 3.87Å; L192-I208 HydrophobicContact CD1-CD1 3.81Å; L192-I208 HydrophobicContact CD1-CG1 3.7Å; M197-I208 HydrophobicContact CE-CD1 4.47Å; E204-I208 PolarHBondContact O-N 3.27Å; I205-I208 PolarHBondContact O-N 2.95Å; I205-I208 VanDerWaalsContact O-N 3.12Å; K206-I208 VanDerWaalsContact C-N 3.35Å; I208-R210 VanDerWaalsContact C-N 3.33Å; I208-R210 PolarHBondContact O-N 2.97Å; I208-F211 PolarHBondContact O-N 3.06Å; I208-L212 HydrophobicContact CG2-CD1 3.69Å; I208-L212 HydrophobicContact CG2-CG 4.13Å; I208-L212 WeakPolarHBondContact O-CB 3.46Å; I208-L212 WeakPolarHBondContact O-CG 3.38Å; I208-L212 PolarHBondContact O-N 3.3Å
209I98.9Very high98.4Very high14 Ų1465.8 Ų65.87%0.07232%0.315CS..Hα-helixtrans-55-48.6177.9-70.4167.9000111I61 I205 K206 L212 E213 K214 L216 L221I61-I209 HydrophobicContact CD1-CG1 3.79Å; I61-I209 HydrophobicContact CG1-CG1 3.93Å; I61-I209 HydrophobicContact CG2-CG1 4.26Å; I205-I209 HydrophobicContact CG2-CD1 3.84Å; I205-I209 HydrophobicContact CG2-CG1 4.25Å; I205-I209 WeakPolarHBondContact O-CG1 3.27Å; I205-I209 PolarHBondContact O-N 3.47Å; K206-I209 PolarHBondContact O-N 2.96Å; I209-L212 CarbonylContact O-C 3.5Å; I209-L212 PolarHBondContact O-N 3.47Å; I209-E213 PolarHBondContact O-N 3.2Å; I209-E213 VanDerWaalsContact O-N 3.13Å; I209-K214 HydrophobicContact CG2-CB 4.2Å; I209-K214 WeakPolarHBondContact CG2-O 3.49Å; I209-K214 PolarHBondContact O-N 2.89Å; I209-L216 HydrophobicContact CD1-CB 4.34Å; I209-L216 HydrophobicContact CD1-CD1 3.91Å; I209-L216 HydrophobicContact CD1-CG 4.46Å; I209-L216 HydrophobicContact CG1-CD1 4.03Å; I209-L216 HydrophobicContact CG2-CG 4.49Å; I209-L221 HydrophobicContact CD1-CD1 4Å
210R98.9Very high98.4Very high146 Ų14663.6 Ų63.655%0.55131%0.305SS*.Hα-helixtrans-63.3-44.5177.5-72.9-172.4-63.3-93.70.5112.3K206 K207 I208 L212 E213K206-R210 WeakPolarHBondContact O-CG 3.48Å; K206-R210 PolarHBondContact O-N 3.15Å; K207-R210 PolarHBondContact O-N 3.38Å; I208-R210 VanDerWaalsContact C-N 3.33Å; I208-R210 PolarHBondContact O-N 2.97Å; R210-L212 VanDerWaalsContact C-N 3.28Å; R210-L212 PolarHBondContact O-N 3.13Å; R210-E213 PolarHBondContact O-N 3.14Å
211F98.9Very high98.4Very high43 Ų4360.3 Ų60.319%0.18929%0.288CS..Hα-helixtrans-63.1-36.2179.6179.9-108000112.5K125 M126 I127 P188 L190 K207 I208 E213K125-F211 HydrophobicContact CB-CE1 3.83Å; K125-F211 HydrophobicContact CB-CZ 3.93Å; K125-F211 HydrophobicContact CD-CE1 4.39Å; K125-F211 HydrophobicContact CD-CZ 4.5Å; K125-F211 WeakPolarHBondContact CE-O 3.19Å; K125-F211 HydrophobicContact CG-CE1 4.34Å; K125-F211 HydrophobicContact CG-CZ 4.16Å; K125-F211 PolarHBondContact NZ-O 3.49Å; M126-F211 WeakPolarHBondContact O-CE1 3.24Å; M126-F211 WeakPolarHBondContact O-CZ 3.14Å; I127-F211 HydrophobicContact CG1-CD1 4.03Å; I127-F211 HydrophobicContact CG1-CE1 3.95Å; P188-F211 WeakPolarHBondContact O-CZ 3.3Å; L190-F211 HydrophobicContact CB-CB 4.37Å; L190-F211 HydrophobicContact CB-CD1 3.72Å; L190-F211 HydrophobicContact CB-CD2 3.83Å; L190-F211 HydrophobicContact CB-CE1 3.86Å; L190-F211 HydrophobicContact CB-CE2 3.97Å; L190-F211 HydrophobicContact CB-CG 3.7Å; L190-F211 HydrophobicContact CB-CZ 3.98Å; L190-F211 HydrophobicContact CD2-CB 3.8Å; L190-F211 HydrophobicContact CD2-CD1 4.11Å; L190-F211 HydrophobicContact CD2-CG 4Å; L190-F211 HydrophobicContact CG-CG 4.36Å; K207-F211 WeakPolarHBondContact O-CB 3.37Å; K207-F211 PolarHBondContact O-N 3.15Å; I208-F211 PolarHBondContact O-N 3.06Å; F211-E213 VanDerWaalsContact C-N 3.25Å; F211-E213 PolarHBondContact O-N 3.14Å
212L98.8Very high98.5Very high16 Ų1662.2 Ų62.28%0.08430%0.296CS..THydrogen-bonded Turntrans-83.53.1174.9-61.1-179000113.5I41 T58 I61 L62 I127 I208 I209 R210 K214I41-L212 HydrophobicContact CD1-CD2 3.79Å; I41-L212 HydrophobicContact CG1-CD2 4.04Å; I41-L212 HydrophobicContact CG2-CD2 4.02Å; T58-L212 HydrophobicContact CG2-CD1 3.92Å; I61-L212 HydrophobicContact CG2-CD1 4.04Å; L62-L212 HydrophobicContact CD2-CD1 4.37Å; I127-L212 HydrophobicContact CD1-CD2 4.44Å; I208-L212 HydrophobicContact CG2-CD1 3.69Å; I208-L212 HydrophobicContact CG2-CG 4.13Å; I208-L212 WeakPolarHBondContact O-CB 3.46Å; I208-L212 WeakPolarHBondContact O-CG 3.38Å; I208-L212 PolarHBondContact O-N 3.3Å; I209-L212 CarbonylContact O-C 3.5Å; I209-L212 PolarHBondContact O-N 3.47Å; R210-L212 VanDerWaalsContact C-N 3.28Å; R210-L212 PolarHBondContact O-N 3.13Å; L212-K214 HydrophobicContact CB-CG 4.24Å; L212-K214 PolarHBondContact O-N 3.4Å
213E98.7Very high98.5Very high149 Ų14963.4 Ų63.470%0.69630%0.299SS*.THydrogen-bonded Turntrans55.935.9178.9-64.1163.5-148.700113.2K125 I209 R210 F211K125-E213 IonicContact NZ-OE1 3.65Å; K125-E213 PolarHBondContact NZ-OE1 3.3Å; K125-E213 IonicContact NZ-OE2 2.75Å; I209-E213 PolarHBondContact O-N 3.2Å; I209-E213 VanDerWaalsContact O-N 3.13Å; R210-E213 PolarHBondContact O-N 3.14Å; F211-E213 VanDerWaalsContact C-N 3.25Å; F211-E213 PolarHBondContact O-N 3.14Å
214K98.5Very high98.5Very high55 Ų5560 Ų6024%0.23928%0.283CS..  trans-96.8150.8175.9-66-68.1-63-1720110.5I61 D64 I209 L212I61-K214 HydrophobicContact CG2-CB 4.06Å; I61-K214 HydrophobicContact CG2-CG 3.82Å; D64-K214 WeakPolarHBondContact OD1-CE 3.33Å; D64-K214 IonicContact OD1-NZ 3.88Å; D64-K214 PolarHBondContact OD1-NZ 3.36Å; D64-K214 IonicContact OD2-NZ 2.69Å; I209-K214 HydrophobicContact CG2-CB 4.2Å; I209-K214 WeakPolarHBondContact CG2-O 3.49Å; I209-K214 PolarHBondContact O-N 2.89Å; L212-K214 HydrophobicContact CB-CG 4.24Å; L212-K214 PolarHBondContact O-N 3.4Å
215N97.1Very high98.5Very high158 Ų15861.1 Ų61.185%0.84529%0.289SS*.  trans-118.4101.8175.9-65.3-56.2000108.8
216L97.6Very high98.5Very high32 Ų3266.2 Ų66.217%0.16832%0.316CS..  trans-119140.1179.8-54.1-179.1000108.9I61 D64 I209 I220 I224I61-L216 HydrophobicContact CB-CD1 4.44Å; I61-L216 HydrophobicContact CG1-CD1 4.27Å; I61-L216 HydrophobicContact CG2-CD1 4.23Å; D64-L216 HydrophobicContact CB-CD2 4.24Å; I209-L216 HydrophobicContact CD1-CB 4.34Å; I209-L216 HydrophobicContact CD1-CD1 3.91Å; I209-L216 HydrophobicContact CD1-CG 4.46Å; I209-L216 HydrophobicContact CG1-CD1 4.03Å; I209-L216 HydrophobicContact CG2-CG 4.49Å; L216-I220 HydrophobicContact CB-CB 4.31Å; L216-I220 HydrophobicContact CB-CG2 3.99Å; L216-I220 HydrophobicContact CD1-CG2 3.91Å; L216-I220 HydrophobicContact CD2-CG2 4.16Å; L216-I220 HydrophobicContact CG-CG2 4.24Å; L216-I224 HydrophobicContact CD1-CD1 3.77Å
217N97.3Very high98.5Very high88 Ų8864.6 Ų64.647%0.47131%0.309SS..  trans-78.6170.4175.968.720.8000111.3E219 I220 L221N217-E219 VanDerWaalsContact C-N 3.27Å; N217-E219 PolarHBondContact O-N 2.77Å; N217-E219 PolarHBondContact OD1-N 2.83Å; N217-I220 PolarHBondContact O-N 3.34Å; N217-I220 WeakPolarHBondContact OD1-CB 3.45Å; N217-I220 WeakPolarHBondContact OD1-CG1 3.5Å; N217-I220 PolarHBondContact OD1-N 2.99Å; N217-L221 PolarHBondContact O-N 2.98Å
218D97.6Very high98.5Very high99 Ų9961.2 Ų61.253%0.52930%0.295SS..Hα-helixtrans-62.5-32.2-177.6-75.1-32.7000113.1L221 D222D218-L221 PolarHBondContact O-N 2.8Å; D218-D222 WeakPolarHBondContact O-CB 3.19Å; D218-D222 VanDerWaalsContact O-CG 3.27Å; D218-D222 PolarHBondContact O-N 2.78Å
219E98.4Very high98.4Very high126 Ų12663 Ų6359%0.58931%0.307SS*.Hα-helixtrans-64.7-46.1177.5-168.9-154.3136.300111.6N217 L221 D222 R223N217-E219 VanDerWaalsContact C-N 3.27Å; N217-E219 PolarHBondContact O-N 2.77Å; N217-E219 PolarHBondContact OD1-N 2.83Å; E219-L221 VanDerWaalsContact C-N 3.33Å; E219-D222 PolarHBondContact O-N 2.92Å; E219-R223 WeakPolarHBondContact O-CB 3.14Å; E219-R223 PolarHBondContact O-N 3.44Å; E219-R223 IonicContact OE1-NH2 2.68Å; E219-R223 PolarHBondContact OE1-NH2 3.4Å
220I98.5Very high98.4Very high29 Ų2964.2 Ų64.215%0.14931%0.312CS..Hα-helixtrans-64.1-42.4175.9-69.7167.3000110L216 N217 D222 R223 I224L216-I220 HydrophobicContact CB-CB 4.31Å; L216-I220 HydrophobicContact CB-CG2 3.99Å; L216-I220 HydrophobicContact CD1-CG2 3.91Å; L216-I220 HydrophobicContact CD2-CG2 4.16Å; L216-I220 HydrophobicContact CG-CG2 4.24Å; N217-I220 PolarHBondContact O-N 3.34Å; N217-I220 WeakPolarHBondContact OD1-CB 3.45Å; N217-I220 WeakPolarHBondContact OD1-CG1 3.5Å; N217-I220 PolarHBondContact OD1-N 2.99Å; I220-D222 PolarHBondContact O-N 3.23Å; I220-R223 WeakPolarHBondContact O-CB 3.47Å; I220-R223 PolarHBondContact O-N 3.11Å; I220-I224 HydrophobicContact CG2-CD1 3.95Å; I220-I224 HydrophobicContact CG2-CG1 4.44Å; I220-I224 VanDerWaalsContact O-CG1 3.3Å; I220-I224 WeakPolarHBondContact O-CG1 3.44Å; I220-I224 PolarHBondContact O-N 3.26Å
221L98.6Very high98.4Very high4 Ų462.9 Ų62.92%0.02131%0.312CS..Hα-helixtrans-58.5-48.9176.8174.457.8000111.7K202 I205 K206 I209 N217 D218 E219 R223 I224 I225K202-L221 HydrophobicContact CD-CD2 4.44Å; K202-L221 HydrophobicContact CG-CD2 3.82Å; K202-L221 HydrophobicContact CG-CG 4.31Å; I205-L221 HydrophobicContact CB-CD1 3.9Å; I205-L221 HydrophobicContact CG2-CD1 3.41Å; I205-L221 VanDerWaalsContact CG2-CD1 3.41Å; K206-L221 HydrophobicContact CD-CD2 4.16Å; K206-L221 HydrophobicContact CG-CD2 3.68Å; I209-L221 HydrophobicContact CD1-CD1 4Å; N217-L221 PolarHBondContact O-N 2.98Å; D218-L221 PolarHBondContact O-N 2.8Å; E219-L221 VanDerWaalsContact C-N 3.33Å; L221-R223 VanDerWaalsContact C-N 3.27Å; L221-R223 PolarHBondContact O-N 3.13Å; L221-I224 PolarHBondContact O-N 3.11Å; L221-I224 VanDerWaalsContact O-N 3.15Å; L221-I225 HydrophobicContact CD1-CD1 4.19Å; L221-I225 HydrophobicContact CD1-CG1 4.38Å; L221-I225 HydrophobicContact CG-CD1 4.12Å; L221-I225 WeakPolarHBondContact O-CG1 3.42Å; L221-I225 PolarHBondContact O-N 2.8Å
222D98.6Very high98.4Very high78 Ų7863.1 Ų63.142%0.41732%0.317SS..Hα-helixtrans-64.7-34179.3-68.6-19000111.5K202 D218 E219 I220 I225 N226K202-D222 IonicContact NZ-OD1 2.76Å; K202-D222 PolarHBondContact NZ-OD1 3.1Å; K202-D222 IonicContact NZ-OD2 3.27Å; D218-D222 WeakPolarHBondContact O-CB 3.19Å; D218-D222 VanDerWaalsContact O-CG 3.27Å; D218-D222 PolarHBondContact O-N 2.78Å; E219-D222 PolarHBondContact O-N 2.92Å; I220-D222 PolarHBondContact O-N 3.23Å; D222-I225 PolarHBondContact O-N 3.12Å; D222-N226 PolarHBondContact O-N 3.45Å
223R98.8Very high98.4Very high84 Ų8462.6 Ų62.632%0.31731%0.314SS..Hα-helixtrans-62.9-44171.7-168.1-171-55.9157.33.1112.3G65 I67 E219 I220 L221 N226 H227G65-R223 VanDerWaalsContact O-CD 3.3Å; G65-R223 WeakPolarHBondContact O-CD 3.48Å; G65-R223 PolarHBondContact O-NH1 2.82Å; G65-R223 VanDerWaalsContact O-NH1 3.08Å; I67-R223 HydrophobicContact CD1-CG 4.07Å; E219-R223 WeakPolarHBondContact O-CB 3.14Å; E219-R223 PolarHBondContact O-N 3.44Å; E219-R223 IonicContact OE1-NH2 2.68Å; E219-R223 PolarHBondContact OE1-NH2 3.4Å; I220-R223 WeakPolarHBondContact O-CB 3.47Å; I220-R223 PolarHBondContact O-N 3.11Å; L221-R223 VanDerWaalsContact C-N 3.27Å; L221-R223 PolarHBondContact O-N 3.13Å; R223-N226 PolarHBondContact O-N 3.13Å; R223-H227 WeakPolarHBondContact O-CB 3.48Å; R223-H227 PolarHBondContact O-N 2.89Å
224I98.8Very high98.4Very high0 Ų058.4 Ų58.40%029%0.294CS..Hα-helixtrans-61.8-46.2176.3-65.2168000110I57 M60 I61 I205 L216 I220 L221 N226 H227 T228I57-I224 HydrophobicContact CG2-CG2 4.43Å; M60-I224 HydrophobicContact CB-CD1 4.49Å; M60-I224 HydrophobicContact CB-CG1 4.01Å; M60-I224 HydrophobicContact CB-CG2 4.3Å; M60-I224 HydrophobicContact CE-CG1 4.04Å; I61-I224 HydrophobicContact CG1-CD1 3.9Å; I205-I224 HydrophobicContact CD1-CG2 4.04Å; I205-I224 HydrophobicContact CG2-CG2 4.23Å; L216-I224 HydrophobicContact CD1-CD1 3.77Å; I220-I224 HydrophobicContact CG2-CD1 3.95Å; I220-I224 HydrophobicContact CG2-CG1 4.44Å; I220-I224 VanDerWaalsContact O-CG1 3.3Å; I220-I224 WeakPolarHBondContact O-CG1 3.44Å; I220-I224 PolarHBondContact O-N 3.26Å; L221-I224 PolarHBondContact O-N 3.11Å; L221-I224 VanDerWaalsContact O-N 3.15Å; I224-N226 VanDerWaalsContact C-N 3.35Å; I224-N226 PolarHBondContact O-N 2.98Å; I224-H227 PolarHBondContact O-N 3.4Å; I224-T228 HydrophobicContact CG2-CG2 4.3Å; I224-T228 WeakPolarHBondContact O-CB 3.42Å; I224-T228 WeakPolarHBondContact O-CG2 3.46Å; I224-T228 PolarHBondContact O-N 3.3Å; I224-T228 PolarHBondContact O-OG1 3.34Å
225I98.7Very high98.4Very high37 Ų3761.1 Ų61.119%0.1931%0.311CS..Hα-helixtrans-56.9-49.2178.3-66.1164.6000110.7P201 K202 I205 L221 D222 S229P201-I225 HydrophobicContact CB-CG2 4.35Å; P201-I225 HydrophobicContact CG-CG2 4.05Å; K202-I225 HydrophobicContact CB-CD1 3.63Å; K202-I225 HydrophobicContact CD-CD1 4.29Å; K202-I225 HydrophobicContact CG-CD1 3.84Å; I205-I225 HydrophobicContact CD1-CG1 3.66Å; L221-I225 HydrophobicContact CD1-CD1 4.19Å; L221-I225 HydrophobicContact CD1-CG1 4.38Å; L221-I225 HydrophobicContact CG-CD1 4.12Å; L221-I225 WeakPolarHBondContact O-CG1 3.42Å; L221-I225 PolarHBondContact O-N 2.8Å; D222-I225 PolarHBondContact O-N 3.12Å; I225-S229 PolarHBondContact O-N 3Å; I225-S229 VanDerWaalsContact O-N 3.12Å
226N98.8Very high98.5Very high107 Ų10754.6 Ų54.657%0.57228%0.276SS*.Hα-helixtrans-64.3-50.1-179.8-178.358.4000112D222 R223 I224 T228 S229 V232D222-N226 PolarHBondContact O-N 3.45Å; R223-N226 PolarHBondContact O-N 3.13Å; I224-N226 VanDerWaalsContact C-N 3.35Å; I224-N226 PolarHBondContact O-N 2.98Å; N226-T228 VanDerWaalsContact C-N 3.25Å; N226-T228 PolarHBondContact O-N 2.66Å; N226-S229 WeakPolarHBondContact O-CB 3.33Å; N226-S229 PolarHBondContact O-N 2.77Å; N226-S229 VanDerWaalsContact O-N 3.15Å; N226-S229 PolarHBondContact O-OG 2.69Å; N226-V232 WeakPolarHBondContact O-CG2 3.41Å
227H98.7Very high98.5Very high19 Ų1956.5 Ų56.59%0.08829%0.29CS..Hα-helixtrans-64.2-31.7-176.5-168.573.1000112.9E56 M60 R223 I224 V232E56-H227 IonicContact OE1-NE2 2.64Å; M60-H227 HydrophobicContact CE-CB 3.9Å; R223-H227 WeakPolarHBondContact O-CB 3.48Å; R223-H227 PolarHBondContact O-N 2.89Å; I224-H227 PolarHBondContact O-N 3.4Å; H227-V232 WeakPolarHBondContact O-CG1 3.37Å
228T98.8Very high98.6Very high2 Ų253.8 Ų53.81%0.01228%0.276CS..THydrogen-bonded Turntrans-97.29.2180650000112.9W53 E56 I57 M60 I224 N226W53-T228 PolarHBondContact NE1-O 2.81Å; E56-T228 HydrophobicContact CB-CG2 4.27Å; E56-T228 HydrophobicContact CG-CG2 4.05Å; I57-T228 HydrophobicContact CB-CG2 4.49Å; I57-T228 HydrophobicContact CG1-CG2 3.67Å; I57-T228 WeakPolarHBondContact CG1-OG1 3.4Å; M60-T228 HydrophobicContact CG-CG2 4.41Å; I224-T228 HydrophobicContact CG2-CG2 4.3Å; I224-T228 WeakPolarHBondContact O-CB 3.42Å; I224-T228 WeakPolarHBondContact O-CG2 3.46Å; I224-T228 PolarHBondContact O-N 3.3Å; I224-T228 PolarHBondContact O-OG1 3.34Å; N226-T228 VanDerWaalsContact C-N 3.25Å; N226-T228 PolarHBondContact O-N 2.66Å
229S98.8Very high98.6Very high36 Ų3649.1 Ų49.125%0.25225%0.25SS..SBendtrans-64.1151.317170.40000110.8I225 N226 E231 V232 M233I225-S229 PolarHBondContact O-N 3Å; I225-S229 VanDerWaalsContact O-N 3.12Å; N226-S229 WeakPolarHBondContact O-CB 3.33Å; N226-S229 PolarHBondContact O-N 2.77Å; N226-S229 VanDerWaalsContact O-N 3.15Å; N226-S229 PolarHBondContact O-OG 2.69Å; S229-E231 VanDerWaalsContact C-N 3.27Å; S229-E231 PolarHBondContact O-N 2.75Å; S229-V232 PolarHBondContact O-N 3Å; S229-V232 VanDerWaalsContact OG-CG2 3.31Å; S229-V232 WeakPolarHBondContact OG-CG2 3.45Å; S229-V232 PolarHBondContact OG-N 2.85Å; S229-M233 WeakPolarHBondContact O-CB 3.32Å; S229-M233 WeakPolarHBondContact O-CG 3.09Å; S229-M233 PolarHBondContact O-N 3.08Å
230F98.4Very high98.6Very high41 Ų4143.9 Ų43.918%0.1823%0.227CC..Hα-helixtrans-58.3-41.4179.6177.4-100.2000112V232 M233 K234 M257 K259F230-V232 VanDerWaalsContact C-N 3.32Å; F230-V232 PolarHBondContact O-N 2.78Å; F230-M233 PolarHBondContact O-N 2.83Å; F230-K234 HydrophobicContact CD1-CD 4.41Å; F230-K234 HydrophobicContact CE1-CB 4.48Å; F230-K234 HydrophobicContact CE1-CD 3.98Å; F230-K234 HydrophobicContact CZ-CB 4.34Å; F230-K234 WeakPolarHBondContact O-CB 3.47Å; F230-K234 WeakPolarHBondContact O-CG 3.34Å; F230-K234 PolarHBondContact O-N 2.86Å; F230-M257 HydrophobicContact CE2-CB 4.01Å; F230-M257 HydrophobicContact CE2-SD 4.43Å; F230-M257 HydrophobicContact CZ-CB 4.34Å; F230-K259 WeakPolarHBondContact CE1-O 3.12Å; F230-K259 VanDerWaalsContact CZ-C 3.48Å
231E98.4Very high98.6Very high118 Ų11843.1 Ų43.155%0.55122%0.222SC*.Hα-helixtrans-63.1-36.8-179.4-60.8-52.4135.500112.7S229 K234S229-E231 VanDerWaalsContact C-N 3.27Å; S229-E231 PolarHBondContact O-N 2.75Å; E231-K234 VanDerWaalsContact O-CG 3.3Å; E231-K234 WeakPolarHBondContact O-CG 3.41Å; E231-K234 WeakPolarHBondContact OE2-CE 3.49Å
232V98.8Very high98.6Very high48 Ų4846.6 Ų46.629%0.29124%0.244SC..Hα-helixtrans-77.1-45.3175.7175.40000110.8N226 H227 S229 F230 K234 D235 N236N226-V232 WeakPolarHBondContact O-CG2 3.41Å; H227-V232 WeakPolarHBondContact O-CG1 3.37Å; S229-V232 PolarHBondContact O-N 3Å; S229-V232 VanDerWaalsContact OG-CG2 3.31Å; S229-V232 WeakPolarHBondContact OG-CG2 3.45Å; S229-V232 PolarHBondContact OG-N 2.85Å; F230-V232 VanDerWaalsContact C-N 3.32Å; F230-V232 PolarHBondContact O-N 2.78Å; V232-K234 PolarHBondContact O-N 2.71Å; V232-D235 PolarHBondContact O-N 2.94Å; V232-N236 PolarHBondContact O-N 2.91Å; V232-N236 VanDerWaalsContact O-N 3.15Å
233M98.8Very high98.6Very high4 Ų444.4 Ų44.42%0.0223%0.231CC..Hα-helixtrans-67.9-31-177-71.3-169.576.100113.5T52 E56 S229 F230 D235 N236 V239 M257T52-M233 HydrophobicContact CG2-CE 4.12Å; E56-M233 HydrophobicContact CB-CE 3.53Å; E56-M233 HydrophobicContact CB-SD 4.29Å; E56-M233 HydrophobicContact CG-CE 4Å; S229-M233 WeakPolarHBondContact O-CB 3.32Å; S229-M233 WeakPolarHBondContact O-CG 3.09Å; S229-M233 PolarHBondContact O-N 3.08Å; F230-M233 PolarHBondContact O-N 2.83Å; M233-D235 PolarHBondContact O-N 2.69Å; M233-N236 PolarHBondContact O-N 3.14Å; M233-V239 HydrophobicContact CB-CG2 4.05Å; M233-V239 HydrophobicContact CE-CB 3.91Å; M233-V239 HydrophobicContact CE-CG1 4.36Å; M233-V239 HydrophobicContact CE-CG2 3.69Å; M233-V239 HydrophobicContact CG-CG2 4.26Å; M233-V239 WeakPolarHBondContact O-CG2 3.5Å; M233-M257 HydrophobicContact CB-CE 4.02Å; M233-M257 HydrophobicContact CE-CE 4.11Å
234K98.4Very high98.5Very high62 Ų6241.3 Ų41.327%0.2722%0.221SC..Hα-helixtrans-63.4-33.6177.470.3174.2-175.268.10112.3F230 E231 V232 N240 M257F230-K234 HydrophobicContact CD1-CD 4.41Å; F230-K234 HydrophobicContact CE1-CB 4.48Å; F230-K234 HydrophobicContact CE1-CD 3.98Å; F230-K234 HydrophobicContact CZ-CB 4.34Å; F230-K234 WeakPolarHBondContact O-CB 3.47Å; F230-K234 WeakPolarHBondContact O-CG 3.34Å; F230-K234 PolarHBondContact O-N 2.86Å; E231-K234 VanDerWaalsContact O-CG 3.3Å; E231-K234 WeakPolarHBondContact O-CG 3.41Å; E231-K234 WeakPolarHBondContact OE2-CE 3.49Å; V232-K234 PolarHBondContact O-N 2.71Å; K234-N240 WeakPolarHBondContact O-CB 3.28Å; K234-N240 PolarHBondContact O-ND2 3.33Å; K234-N240 VanDerWaalsContact O-ND2 3.08Å; K234-M257 HydrophobicContact CB-CB 3.71Å; K234-M257 HydrophobicContact CB-CG 4.29Å
235D98.6Very high98.4Very high111 Ų11143.1 Ų43.159%0.59423%0.232SC*.Hα-helixtrans-94.6-7.4-178.2-62.4-23.3000112.4V232 M233 P237V232-D235 PolarHBondContact O-N 2.94Å; M233-D235 PolarHBondContact O-N 2.69Å; D235-P237 VanDerWaalsContact O-CD 3.31Å; D235-P237 WeakPolarHBondContact O-CD 3.37Å
236N98.7Very high98.3Very high21 Ų2145.8 Ų45.811%0.11225%0.25CS..  trans-83.5110.2176.6179.2-4000111.4V232 M233 L238 V239 N240V232-N236 PolarHBondContact O-N 2.91Å; V232-N236 VanDerWaalsContact O-N 3.15Å; M233-N236 PolarHBondContact O-N 3.14Å; N236-L238 PolarHBondContact O-N 3.44Å; N236-L238 VanDerWaalsContact O-N 3.12Å; N236-L238 WeakPolarHBondContact OD1-CB 3.26Å; N236-L238 PolarHBondContact OD1-N 3.24Å; N236-V239 HydrophobicContact CB-CG2 3.79Å; N236-V239 PolarHBondContact O-N 2.76Å; N236-V239 VanDerWaalsContact O-N 3.17Å; N236-N240 WeakPolarHBondContact O-CB 3.37Å; N236-N240 PolarHBondContact O-N 2.87Å
237P98.4Very high98.1Very high73 Ų7343.5 Ų43.547%0.47424%0.24SC..THydrogen-bonded Turntrans-67-16-175.729.7-36.8000113.7D235 V239 N240D235-P237 VanDerWaalsContact O-CD 3.31Å; D235-P237 WeakPolarHBondContact O-CD 3.37Å; P237-V239 VanDerWaalsContact C-N 3.31Å; P237-N240 WeakPolarHBondContact CA-OD1 3.48Å
238L98.8Very high98Very high31 Ų3142.7 Ų42.716%0.16224%0.237CC..THydrogen-bonded Turntrans-77.2-20.1179.3-57.4-177.5000112.6K71 F74 I75 N236K71-L238 HydrophobicContact CB-CD1 3.88Å; K71-L238 HydrophobicContact CG-CD1 3.89Å; F74-L238 HydrophobicContact CD1-CD2 3.91Å; F74-L238 HydrophobicContact CE1-CD2 3.8Å; F74-L238 HydrophobicContact CZ-CD2 4.43Å; I75-L238 PolarHBondContact N-O 3.44Å; N236-L238 PolarHBondContact O-N 3.44Å; N236-L238 VanDerWaalsContact O-N 3.12Å; N236-L238 WeakPolarHBondContact OD1-CB 3.26Å; N236-L238 PolarHBondContact OD1-N 3.24Å
239V98.6Very high98Very high0 Ų043.2 Ų43.20%024%0.239CC..THydrogen-bonded Turntrans-127.4-16.7-173.4-55.20000114T52 E56 I75 M233 N236 P237 Y241 M257T52-V239 HydrophobicContact CG2-CB 4.44Å; T52-V239 WeakPolarHBondContact CG2-O 3.17Å; E56-V239 HydrophobicContact CG-CG1 4.23Å; E56-V239 VanDerWaalsContact OE2-CG1 3.3Å; E56-V239 WeakPolarHBondContact OE2-CG1 3.34Å; I75-V239 HydrophobicContact CB-CG1 4.27Å; M233-V239 HydrophobicContact CB-CG2 4.05Å; M233-V239 HydrophobicContact CE-CB 3.91Å; M233-V239 HydrophobicContact CE-CG1 4.36Å; M233-V239 HydrophobicContact CE-CG2 3.69Å; M233-V239 HydrophobicContact CG-CG2 4.26Å; M233-V239 WeakPolarHBondContact O-CG2 3.5Å; N236-V239 HydrophobicContact CB-CG2 3.79Å; N236-V239 PolarHBondContact O-N 2.76Å; N236-V239 VanDerWaalsContact O-N 3.17Å; P237-V239 VanDerWaalsContact C-N 3.31Å; V239-Y241 VanDerWaalsContact C-N 3.26Å; V239-Y241 VanDerWaalsContact O-CD2 3.25Å; V239-Y241 WeakPolarHBondContact O-CD2 3.45Å; V239-Y241 PolarHBondContact O-N 2.94Å; V239-M257 HydrophobicContact CG2-CE 4.21Å; V239-M257 WeakPolarHBondContact O-CE 3.42Å
240N98.5Very high98Very high17 Ų1743 Ų439%0.09124%0.235CC..SBendtrans-81.62-177.5734.7000114.5K234 N236 P237 T242 H251 M257K234-N240 WeakPolarHBondContact O-CB 3.28Å; K234-N240 PolarHBondContact O-ND2 3.33Å; K234-N240 VanDerWaalsContact O-ND2 3.08Å; N236-N240 WeakPolarHBondContact O-CB 3.37Å; N236-N240 PolarHBondContact O-N 2.87Å; P237-N240 WeakPolarHBondContact CA-OD1 3.48Å; N240-T242 VanDerWaalsContact C-N 3.3Å; N240-T242 PolarHBondContact O-N 2.85Å; N240-T242 WeakPolarHBondContact OD1-CG2 3.45Å; N240-T242 PolarHBondContact OD1-N 3.14Å; N240-T242 VanDerWaalsContact OD1-N 3.07Å; N240-T242 PolarHBondContact OD1-OG1 3.42Å; N240-H251 PolarHBondContact O-CE1 3.18Å; N240-M257 HydrophobicContact CB-CG 3.87Å
241Y98.6Very high98Very high12 Ų1243.2 Ų43.25%0.04724%0.237CC..SBendtrans66.613.8178.3-72.3-98.4000116.2T52 I75 T76 V239 H243 L244 M249 H251 F256T52-Y241 HydrophobicContact CG2-CE2 3.83Å; T52-Y241 WeakPolarHBondContact OG1-CE2 3.48Å; I75-Y241 HydrophobicContact CG2-CD2 4.37Å; I75-Y241 HydrophobicContact CG2-CE1 4.3Å; I75-Y241 HydrophobicContact CG2-CE2 3.77Å; T76-Y241 HydrophobicContact CG2-CD1 4.42Å; T76-Y241 HydrophobicContact CG2-CE1 3.83Å; V239-Y241 VanDerWaalsContact C-N 3.26Å; V239-Y241 VanDerWaalsContact O-CD2 3.25Å; V239-Y241 WeakPolarHBondContact O-CD2 3.45Å; V239-Y241 PolarHBondContact O-N 2.94Å; Y241-H243 PolarHBondContact O-N 3.09Å; Y241-L244 HydrophobicContact CD1-CD1 3.67Å; Y241-L244 HydrophobicContact CD1-CG 4.17Å; Y241-L244 HydrophobicContact CE1-CD1 4.37Å; Y241-L244 PolarHBondContact O-N 2.95Å; Y241-M249 HydrophobicContact CD1-CE 4.21Å; Y241-M249 HydrophobicContact CD1-SD 4.18Å; Y241-M249 HydrophobicContact CG-SD 4.36Å; Y241-H251 PolarHBondContact O-NE2 3.29Å; Y241-F256 AromaticContact CD2-CD1 3.48Å; Y241-F256 HydrophobicContact CD2-CD1 3.48Å; Y241-F256 VanDerWaalsContact CD2-CD1 3.48Å; Y241-F256 HydrophobicContact CD2-CD2 4Å; Y241-F256 AromaticContact CD2-CE1 3.36Å; Y241-F256 HydrophobicContact CD2-CE1 3.36Å; Y241-F256 AromaticContact CD2-CE2 3.89Å; Y241-F256 HydrophobicContact CD2-CE2 3.89Å; Y241-F256 AromaticContact CD2-CG 3.81Å; Y241-F256 HydrophobicContact CD2-CG 3.81Å; Y241-F256 AromaticContact CD2-CZ 3.58Å; Y241-F256 HydrophobicContact CD2-CZ 3.58Å; Y241-F256 HydrophobicContact CE2-CD1 4.1Å; Y241-F256 AromaticContact CE2-CE1 3.47Å; Y241-F256 HydrophobicContact CE2-CE1 3.47Å; Y241-F256 VanDerWaalsContact CE2-CE1 3.47Å; Y241-F256 AromaticContact CE2-CE2 3.96Å; Y241-F256 HydrophobicContact CE2-CE2 3.96Å; Y241-F256 AromaticContact CE2-CZ 3.39Å; Y241-F256 HydrophobicContact CE2-CZ 3.39Å; Y241-F256 HydrophobicContact CG-CD1 4.25Å; Y241-F256 HydrophobicContact CG-CD2 4.16Å; Y241-F256 HydrophobicContact CG-CE1 4.4Å; Y241-F256 HydrophobicContact CG-CE2 4.29Å; Y241-F256 HydrophobicContact CG-CG 4.14Å; Y241-F256 HydrophobicContact CG-CZ 4.42Å
242T98.4Very high98Very high78 Ų7842.3 Ų42.348%0.47924%0.243SC..THydrogen-bonded Turntrans-71.8-11.4174.959.90000113.2N240 L244N240-T242 VanDerWaalsContact C-N 3.3Å; N240-T242 PolarHBondContact O-N 2.85Å; N240-T242 WeakPolarHBondContact OD1-CG2 3.45Å; N240-T242 PolarHBondContact OD1-N 3.14Å; N240-T242 VanDerWaalsContact OD1-N 3.07Å; N240-T242 PolarHBondContact OD1-OG1 3.42Å; T242-L244 VanDerWaalsContact C-N 3.3Å
243H98.1Very high98Very high31 Ų3146.3 Ų46.314%0.14426%0.257CS..THydrogen-bonded Turntrans-77-13.4174.974.9-65000113.8F74 T76 R90 Y241F74-H243 HydrophobicContact CD1-CB 3.5Å; F74-H243 VanDerWaalsContact CD1-CB 3.5Å; F74-H243 AromaticContact CD1-CD2 3.5Å; F74-H243 VanDerWaalsContact CD1-CD2 3.5Å; F74-H243 WeakPolarHBondContact CD1-CD2 3.39Å; F74-H243 AromaticContact CD1-CG 3.33Å; F74-H243 AromaticContact CD1-ND1 3.88Å; F74-H243 AromaticContact CD2-CD2 3.8Å; F74-H243 HydrophobicContact CE1-CB 3.27Å; F74-H243 AromaticContact CE1-CG 3.72Å; F74-H243 HydrophobicContact CE2-CB 4.36Å; F74-H243 HydrophobicContact CG-CB 4.18Å; F74-H243 AromaticContact CG-CD2 3.34Å; F74-H243 WeakPolarHBondContact CG-CD2 3.34Å; F74-H243 AromaticContact CG-CG 3.73Å; F74-H243 AromaticContact CG-NE2 3.79Å; F74-H243 HydrophobicContact CZ-CB 3.75Å; T76-H243 PolarHBondContact OG1-NE2 3.04Å; R90-H243 PolarHBondContact NH2-O 2.68Å; Y241-H243 PolarHBondContact O-N 3.09Å
244L97Very high98Very high20 Ų2046.6 Ų46.611%0.10526%0.259CS..SBendtrans-73.8147.5175.6-71.6-170.9000110.8T76 Y241 T242 T246 V248 M249T76-L244 HydrophobicContact CG2-CD2 4.5Å; Y241-L244 HydrophobicContact CD1-CD1 3.67Å; Y241-L244 HydrophobicContact CD1-CG 4.17Å; Y241-L244 HydrophobicContact CE1-CD1 4.37Å; Y241-L244 PolarHBondContact O-N 2.95Å; T242-L244 VanDerWaalsContact C-N 3.3Å; L244-T246 PolarHBondContact O-N 3.48Å; L244-V248 HydrophobicContact CD1-CG1 4.33Å; L244-M249 HydrophobicContact CB-CB 4.45Å; L244-M249 HydrophobicContact CD1-CE 3.79Å; L244-M249 HydrophobicContact CD1-CG 4.1Å; L244-M249 HydrophobicContact CD1-SD 3.76Å
245P95.8Very high98Very high37 Ų3746.7 Ų46.724%0.2427%0.266CS..  trans-57.6141.7175.4-24.336.1000111.1T247 V248 M249P245-T247 HydrophobicContact CB-CG2 3.88Å; P245-T247 PolarHBondContact O-N 2.97Å; P245-T247 VanDerWaalsContact O-N 3.12Å; P245-V248 HydrophobicContact CB-CG2 4.36Å; P245-V248 HydrophobicContact CG-CG2 4.45Å; P245-V248 WeakPolarHBondContact O-CA 3.31Å; P245-V248 WeakPolarHBondContact O-CB 3.5Å; P245-V248 PolarHBondContact O-N 2.84Å; P245-M249 PolarHBondContact O-N 2.95Å
246T96.1Very high98Very high94 Ų9442.9 Ų42.958%0.57724%0.244SC*.THydrogen-bonded Turntrans-57.8-29176.1-42.80000112.3N148 L244 V248 M249 D250N148-T246 PolarHBondContact ND2-O 2.85Å; N148-T246 VanDerWaalsContact ND2-O 3.11Å; L244-T246 PolarHBondContact O-N 3.48Å; T246-V248 PolarHBondContact O-N 3.49Å; T246-M249 WeakPolarHBondContact CA-O 3.33Å; T246-M249 CarbonylContact O-C 3.53Å; T246-D250 HydrophobicContact CG2-CB 4.02Å
247T95.4Very high98Very high59 Ų5943.3 Ų43.336%0.36225%0.246SC..THydrogen-bonded Turntrans-64-19.7173.3-161.40000113.1L8 L89 N148 P245L8-T247 WeakPolarHBondContact CD1-OG1 3.47Å; L8-T247 WeakPolarHBondContact CD2-O 3.48Å; L89-T247 HydrophobicContact CD2-CG2 4.43Å; N148-T247 WeakPolarHBondContact CB-O 3.27Å; N148-T247 PolarHBondContact ND2-O 3.04Å; P245-T247 HydrophobicContact CB-CG2 3.88Å; P245-T247 PolarHBondContact O-N 2.97Å; P245-T247 VanDerWaalsContact O-N 3.12Å
248V96.6Very high98Very high2 Ų241.6 Ų41.61%0.01223%0.23CC..THydrogen-bonded Turntrans-98-52.8173.4-178.30000110.4L86 N147 N148 L149 L244 P245 T246L86-V248 HydrophobicContact CD1-CG1 4.24Å; L86-V248 HydrophobicContact CD1-CG2 4.1Å; N147-V248 CarbonylContact C-O 3.43Å; N147-V248 WeakPolarHBondContact CA-O 3.36Å; N147-V248 PolarHBondContact OD1-O 3.17Å; N148-V248 PolarHBondContact N-O 3.39Å; L149-V248 HydrophobicContact CD1-CG1 3.93Å; L149-V248 HydrophobicContact CG-CG1 4.08Å; L244-V248 HydrophobicContact CD1-CG1 4.33Å; P245-V248 HydrophobicContact CB-CG2 4.36Å; P245-V248 HydrophobicContact CG-CG2 4.45Å; P245-V248 WeakPolarHBondContact O-CA 3.31Å; P245-V248 WeakPolarHBondContact O-CB 3.5Å; P245-V248 PolarHBondContact O-N 2.84Å; T246-V248 PolarHBondContact O-N 3.49Å
249M98.4Very high97.9Very high13 Ų1345 Ų456%0.06424%0.244CC..BIsolated β-bridgetrans-130108.8-178.8-76.3-166-168.500111.1F143 M146 Y241 L244 P245 T246 F256F143-M249 HydrophobicContact CE2-CE 3.63Å; F143-M249 HydrophobicContact CE2-SD 4.33Å; F143-M249 HydrophobicContact CZ-CE 3.81Å; M146-M249 HydrophobicContact CE-CB 3.59Å; M146-M249 HydrophobicContact CE-CG 3.83Å; M146-M249 HydrophobicContact CE-SD 3.86Å; M146-M249 WeakPolarHBondContact O-CA 3.46Å; M146-M249 HydrophobicContact SD-CB 4.2Å; M146-M249 HydrophobicContact SD-CG 3.88Å; M146-M249 HydrophobicContact SD-SD 4.03Å; Y241-M249 HydrophobicContact CD1-CE 4.21Å; Y241-M249 HydrophobicContact CD1-SD 4.18Å; Y241-M249 HydrophobicContact CG-SD 4.36Å; L244-M249 HydrophobicContact CB-CB 4.45Å; L244-M249 HydrophobicContact CD1-CE 3.79Å; L244-M249 HydrophobicContact CD1-CG 4.1Å; L244-M249 HydrophobicContact CD1-SD 3.76Å; P245-M249 PolarHBondContact O-N 2.95Å; T246-M249 WeakPolarHBondContact CA-O 3.33Å; T246-M249 CarbonylContact O-C 3.53Å; M249-F256 HydrophobicContact CE-CD2 4.48Å; M249-F256 HydrophobicContact SD-CD2 4.18Å
250D98.6Very high97.7Very high32 Ų3245.7 Ų45.717%0.17125%0.251CS..  trans-95.892.4175.6-177.51.6000110.7M146 T246 S252 K253M146-D250 VanDerWaalsContact CB-O 3.28Å; M146-D250 WeakPolarHBondContact CB-O 3.28Å; M146-D250 PolarHBondContact O-N 3.49Å; T246-D250 HydrophobicContact CG2-CB 4.02Å; D250-S252 VanDerWaalsContact CG-OG 3.25Å; D250-S252 PolarHBondContact O-N 3.48Å; D250-S252 VanDerWaalsContact O-N 3.11Å; D250-S252 VanDerWaalsContact OD1-CB 3.29Å; D250-S252 WeakPolarHBondContact OD1-CB 3.23Å; D250-S252 PolarHBondContact OD1-N 2.85Å; D250-S252 PolarHBondContact OD1-OG 3.04Å; D250-S252 PolarHBondContact OD2-OG 3.26Å; D250-K253 HydrophobicContact CB-CG 4.19Å; D250-K253 PolarHBondContact O-N 3.37Å; D250-K253 VanDerWaalsContact O-N 3.07Å; D250-K253 WeakPolarHBondContact OD2-CE 3.32Å
251H98.5Very high97.6Very high45 Ų4549 Ų4921%0.20827%0.266CS..THydrogen-bonded Turntrans-64.8-13.2-178.5-67.9-102.9000113.7N240 Y241 K253 S254 F256N240-H251 PolarHBondContact O-CE1 3.18Å; Y241-H251 PolarHBondContact O-NE2 3.29Å; H251-K253 PolarHBondContact O-N 3.01Å; H251-S254 CarbonylContact O-C 3.55Å; H251-F256 PolarHBondContact ND1-N 2.76Å
252S98.4Very high97.6Very high98 Ų9849.3 Ų49.369%0.68527%0.272SS*.THydrogen-bonded Turntrans-69.2-23.4173770000112.8D250D250-S252 VanDerWaalsContact CG-OG 3.25Å; D250-S252 PolarHBondContact O-N 3.48Å; D250-S252 VanDerWaalsContact O-N 3.11Å; D250-S252 VanDerWaalsContact OD1-CB 3.29Å; D250-S252 WeakPolarHBondContact OD1-CB 3.23Å; D250-S252 PolarHBondContact OD1-N 2.85Å; D250-S252 PolarHBondContact OD1-OG 3.04Å; D250-S252 PolarHBondContact OD2-OG 3.26Å
253K98.6Very high97.6Very high133 Ų13346.3 Ų46.358%0.57826%0.256SS*.THydrogen-bonded Turntrans-80.3-43.6175.5-56.1-59.3179.5-1740111.9M146 D250 H251M146-K253 HydrophobicContact CB-CB 4.17Å; D250-K253 HydrophobicContact CB-CG 4.19Å; D250-K253 PolarHBondContact O-N 3.37Å; D250-K253 VanDerWaalsContact O-N 3.07Å; D250-K253 WeakPolarHBondContact OD2-CE 3.32Å; H251-K253 PolarHBondContact O-N 3.01Å
254S98.7Very high97.6Very high9 Ų945.1 Ų45.16%0.06325%0.251CS..  trans-163.9132171175.40000107.9H142 M146 H251H142-S254 WeakPolarHBondContact O-CB 3.46Å; M146-S254 WeakPolarHBondContact CB-O 3.03Å; M146-S254 VanDerWaalsContact CG-O 3.29Å; M146-S254 WeakPolarHBondContact CG-O 3.39Å; H251-S254 CarbonylContact O-C 3.55Å
255P98.6Very high97.7Very high64 Ų6445.1 Ų45.142%0.41625%0.25SC..  trans-65148172.425.7-32.1000110.7
256F98.8Very high97.8Very high31 Ų3148.1 Ų48.114%0.13626%0.259CS..SBendtrans-62.4-46.6174-179.9-89000111.3T52 F143 M146 Y241 M249 H251 R258T52-F256 HydrophobicContact CG2-CE1 4.24Å; T52-F256 WeakPolarHBondContact OG1-CZ 3.29Å; F143-F256 HydrophobicContact CD2-CD2 4.25Å; F143-F256 HydrophobicContact CD2-CE2 4.46Å; F143-F256 AromaticContact CE2-CD2 3.88Å; F143-F256 HydrophobicContact CE2-CD2 3.88Å; F143-F256 AromaticContact CE2-CE2 3.91Å; F143-F256 HydrophobicContact CE2-CE2 3.91Å; M146-F256 HydrophobicContact CE-CB 4.25Å; Y241-F256 AromaticContact CD2-CD1 3.48Å; Y241-F256 HydrophobicContact CD2-CD1 3.48Å; Y241-F256 VanDerWaalsContact CD2-CD1 3.48Å; Y241-F256 HydrophobicContact CD2-CD2 4Å; Y241-F256 AromaticContact CD2-CE1 3.36Å; Y241-F256 HydrophobicContact CD2-CE1 3.36Å; Y241-F256 AromaticContact CD2-CE2 3.89Å; Y241-F256 HydrophobicContact CD2-CE2 3.89Å; Y241-F256 AromaticContact CD2-CG 3.81Å; Y241-F256 HydrophobicContact CD2-CG 3.81Å; Y241-F256 AromaticContact CD2-CZ 3.58Å; Y241-F256 HydrophobicContact CD2-CZ 3.58Å; Y241-F256 HydrophobicContact CE2-CD1 4.1Å; Y241-F256 AromaticContact CE2-CE1 3.47Å; Y241-F256 HydrophobicContact CE2-CE1 3.47Å; Y241-F256 VanDerWaalsContact CE2-CE1 3.47Å; Y241-F256 AromaticContact CE2-CE2 3.96Å; Y241-F256 HydrophobicContact CE2-CE2 3.96Å; Y241-F256 AromaticContact CE2-CZ 3.39Å; Y241-F256 HydrophobicContact CE2-CZ 3.39Å; Y241-F256 HydrophobicContact CG-CD1 4.25Å; Y241-F256 HydrophobicContact CG-CD2 4.16Å; Y241-F256 HydrophobicContact CG-CE1 4.4Å; Y241-F256 HydrophobicContact CG-CE2 4.29Å; Y241-F256 HydrophobicContact CG-CG 4.14Å; Y241-F256 HydrophobicContact CG-CZ 4.42Å; M249-F256 HydrophobicContact CE-CD2 4.48Å; M249-F256 HydrophobicContact SD-CD2 4.18Å; H251-F256 PolarHBondContact ND1-N 2.76Å; F256-R258 VanDerWaalsContact C-N 3.31Å; F256-R258 PolarHBondContact O-N 3.32Å; F256-R258 VanDerWaalsContact O-N 3.09Å
257M98.6Very high97.9Very high31 Ų3149.5 Ų49.515%0.15326%0.262CS..SBendtrans-81.875.5172.2-64.3-67.3-167.400109.4T52 F230 M233 K234 V239 N240T52-M257 HydrophobicContact CG2-CE 3.94Å; F230-M257 HydrophobicContact CE2-CB 4.01Å; F230-M257 HydrophobicContact CE2-SD 4.43Å; F230-M257 HydrophobicContact CZ-CB 4.34Å; M233-M257 HydrophobicContact CB-CE 4.02Å; M233-M257 HydrophobicContact CE-CE 4.11Å; K234-M257 HydrophobicContact CB-CB 3.71Å; K234-M257 HydrophobicContact CB-CG 4.29Å; V239-M257 HydrophobicContact CG2-CE 4.21Å; V239-M257 WeakPolarHBondContact O-CE 3.42Å; N240-M257 HydrophobicContact CB-CG 3.87Å
258R98.4Very high98.1Very high36 Ų3650.1 Ų50.114%0.13626%0.259CS..  trans-77.4-60.3-166.2-165-17161.388.46.2115.5F256 D264 Y268F256-R258 VanDerWaalsContact C-N 3.31Å; F256-R258 PolarHBondContact O-N 3.32Å; F256-R258 VanDerWaalsContact O-N 3.09Å; R258-D264 IonicContact CZ-OD2 3.13Å; R258-D264 IonicContact NH1-OD2 3.97Å; R258-D264 PolarHBondContact NH1-OD2 3.14Å; R258-D264 IonicContact NH2-OD2 2.98Å; R258-D264 PolarHBondContact NH2-OD2 2.9Å; R258-Y268 PolarHBondContact NH1-OH 2.75Å
259K97.4Very high98.2Very high104 Ų10450.9 Ų50.945%0.45226%0.262SS..  trans-139.5-39.3-175.6-66.7-64-178.8-1790113.5F230 M261F230-K259 WeakPolarHBondContact CE1-O 3.12Å; F230-K259 VanDerWaalsContact CZ-C 3.48Å; K259-M261 VanDerWaalsContact C-N 3.34Å; K259-M261 HydrophobicContact CB-CG 4.35Å; K259-M261 VanDerWaalsContact O-CG 3.22Å; K259-M261 WeakPolarHBondContact O-CG 3.48Å; K259-M261 PolarHBondContact O-N 3.32Å
260G95.3Very high98.2Very high14 Ų1453.9 Ų53.914%0.14428%0.281CS..  trans63.733176.500000115.1Y194 K198Y194-G260 WeakPolarHBondContact OH-CA 3.36Å; Y194-G260 PolarHBondContact OH-O 2.85Å; K198-G260 WeakPolarHBondContact CD-O 3.45Å; K198-G260 VanDerWaalsContact CE-O 3.23Å; K198-G260 WeakPolarHBondContact CE-O 3.33Å; K198-G260 PolarHBondContact NZ-O 3.13Å
261M96Very high98.2Very high86 Ų8657.4 Ų57.442%0.42430%0.304SS..  trans-125.1153.6-176.9-44.6-172.9-49.600111.5R131 K259 D264R131-M261 PolarHBondContact NH2-O 3.06Å; K259-M261 VanDerWaalsContact C-N 3.34Å; K259-M261 HydrophobicContact CB-CG 4.35Å; K259-M261 VanDerWaalsContact O-CG 3.22Å; K259-M261 WeakPolarHBondContact O-CG 3.48Å; K259-M261 PolarHBondContact O-N 3.32Å; M261-D264 HydrophobicContact CE-CB 4.14Å
262A97.9Very high98.2Very high19 Ų1958.5 Ų58.516%0.15732%0.32CS..SBendtrans-90.2135164.700000109.6D135 E195 I296D135-A262 WeakPolarHBondContact OD2-CA 3.4Å; E195-A262 HydrophobicContact CG-CB 4.07Å; A262-I296 HydrophobicContact CB-CD1 4.37Å; A262-I296 HydrophobicContact CB-CG1 4.23Å; A262-I296 HydrophobicContact CB-CG2 4.3Å
263G98.1Very high98.2Very high15 Ų1555 Ų5516%0.15529%0.293CS..SBendtrans96.83.5178.700000116D135 W265 K266 T294D135-G263 PolarHBondContact OD1-N 3.27Å; D135-G263 PolarHBondContact OD2-N 2.8Å; G263-W265 PolarHBondContact O-N 3.23Å; G263-K266 PolarHBondContact O-N 3.09Å; G263-T294 WeakPolarHBondContact CA-O 3.3Å; G263-T294 PolarHBondContact N-O 2.98Å
264D98.3Very high98.2Very high6 Ų650.2 Ų50.23%0.03227%0.274CS..G310 helixtrans-67.1-20.6178.9-172.559.4000112.2D135 R258 M261 K266 N267 Y268D135-D264 PolarHBondContact OD1-N 3.36Å; R258-D264 IonicContact CZ-OD2 3.13Å; R258-D264 IonicContact NH1-OD2 3.97Å; R258-D264 PolarHBondContact NH1-OD2 3.14Å; R258-D264 IonicContact NH2-OD2 2.98Å; R258-D264 PolarHBondContact NH2-OD2 2.9Å; M261-D264 HydrophobicContact CE-CB 4.14Å; D264-K266 PolarHBondContact O-N 3.42Å; D264-K266 VanDerWaalsContact O-N 3.09Å; D264-N267 WeakPolarHBondContact O-CB 3.44Å; D264-N267 PolarHBondContact O-N 3.48Å; D264-N267 PolarHBondContact O-ND2 3.17Å; D264-N267 PolarHBondContact OD1-ND2 3.16Å; D264-Y268 WeakPolarHBondContact O-CD2 3.34Å; D264-Y268 WeakPolarHBondContact OD2-CE2 3.08Å
265W98.7Very high98.2Very high20 Ų2055.9 Ų55.98%0.07630%0.299CS..G310 helixtrans-53-28.9174.170-91.8000114.3K134 D135 V138 G263 N267 Y268 F269 N274 T294K134-W265 HydrophobicContact CB-CB 3.76Å; K134-W265 HydrophobicContact CB-CD2 3.69Å; K134-W265 HydrophobicContact CB-CE3 4.18Å; K134-W265 HydrophobicContact CB-CG 3.47Å; K134-W265 VanDerWaalsContact CB-CG 3.47Å; K134-W265 HydrophobicContact CD-CD2 3.65Å; K134-W265 HydrophobicContact CD-CE3 3.66Å; K134-W265 HydrophobicContact CD-CG 4.36Å; K134-W265 HydrophobicContact CD-CH2 3.81Å; K134-W265 HydrophobicContact CD-CZ2 3.79Å; K134-W265 HydrophobicContact CD-CZ3 3.75Å; K134-W265 HydrophobicContact CG-CD2 4.3Å; K134-W265 HydrophobicContact CG-CE3 4.47Å; D135-W265 PolarHBondContact OD1-N 3.5Å; V138-W265 HydrophobicContact CG2-CB 4.09Å; G263-W265 PolarHBondContact O-N 3.23Å; W265-N267 PolarHBondContact O-N 2.99Å; W265-N267 VanDerWaalsContact O-N 3.14Å; W265-Y268 PolarHBondContact O-N 3.48Å; W265-F269 HydrophobicContact CB-CD2 3.97Å; W265-F269 HydrophobicContact CB-CE2 4.06Å; W265-F269 HydrophobicContact CE3-CB 3.79Å; W265-F269 HydrophobicContact CE3-CD1 4.38Å; W265-F269 AromaticContact CE3-CD2 3.79Å; W265-F269 HydrophobicContact CE3-CD2 3.79Å; W265-F269 HydrophobicContact CE3-CE2 4.44Å; W265-F269 AromaticContact CE3-CG 3.74Å; W265-F269 HydrophobicContact CE3-CG 3.74Å; W265-F269 HydrophobicContact CZ3-CB 4.03Å; W265-F269 HydrophobicContact CZ3-CG 4.25Å; W265-F269 WeakPolarHBondContact O-CD2 3.29Å; W265-F269 PolarHBondContact O-N 2.78Å; W265-N274 WeakPolarHBondContact CH2-OD1 3.4Å; W265-N274 HydrophobicContact CZ3-CB 4.48Å; W265-N274 WeakPolarHBondContact CZ3-OD1 3.07Å; W265-T294 PolarHBondContact NE1-O 2.93Å
266K98.5Very high98.2Very high100 Ų10057.5 Ų57.544%0.43530%0.3SS..G310 helixtrans-61.2-21.1177.8-66.1-176.9177.9-176.40113.4G263 D264 Y268 E295G263-K266 PolarHBondContact O-N 3.09Å; D264-K266 PolarHBondContact O-N 3.42Å; D264-K266 VanDerWaalsContact O-N 3.09Å; K266-Y268 VanDerWaalsContact C-N 3.27Å; K266-Y268 PolarHBondContact O-N 2.99Å; K266-E295 WeakPolarHBondContact CE-OE1 3.42Å; K266-E295 IonicContact NZ-OE1 2.69Å; K266-E295 PolarHBondContact NZ-OE1 3.43Å; K266-E295 IonicContact NZ-OE2 3.91Å; K266-E295 PolarHBondContact NZ-OE2 3.16Å
267N98.5Very high98.2Very high122 Ų12256.1 Ų56.165%0.65229%0.294SS*.G310 helixtrans-78.9-8.7176.7-64.5-44000113.5D264 W265D264-N267 WeakPolarHBondContact O-CB 3.44Å; D264-N267 PolarHBondContact O-N 3.48Å; D264-N267 PolarHBondContact O-ND2 3.17Å; D264-N267 PolarHBondContact OD1-ND2 3.16Å; W265-N267 PolarHBondContact O-N 2.99Å; W265-N267 VanDerWaalsContact O-N 3.14Å
268Y98.6Very high98.2Very high72 Ų7257.7 Ų57.728%0.28230%0.303SS..THydrogen-bonded Turntrans-126.4-38.8-171.2-62.1-90.1000113V138 H142 W156 R258 D264 W265 K266 T270V138-Y268 HydrophobicContact CB-CD2 4.4Å; V138-Y268 HydrophobicContact CG1-CD1 4.38Å; V138-Y268 HydrophobicContact CG1-CD2 3.4Å; V138-Y268 VanDerWaalsContact CG1-CD2 3.4Å; V138-Y268 HydrophobicContact CG1-CE1 4.49Å; V138-Y268 HydrophobicContact CG1-CE2 3.54Å; V138-Y268 HydrophobicContact CG1-CG 3.84Å; V138-Y268 HydrophobicContact CG2-CD2 4.07Å; V138-Y268 HydrophobicContact CG2-CG 4.08Å; H142-Y268 AromaticContact CE1-CD1 3.89Å; H142-Y268 AromaticContact CE1-CE1 3.17Å; H142-Y268 WeakPolarHBondContact CE1-CE1 3.39Å; H142-Y268 AromaticContact CE1-CZ 3.33Å; H142-Y268 PolarHBondContact CE1-OH 3.4Å; H142-Y268 AromaticContact NE2-CE1 3.38Å; H142-Y268 WeakPolarHBondContact NE2-CE1 3.39Å; H142-Y268 AromaticContact NE2-CZ 3.54Å; H142-Y268 PolarHBondContact NE2-OH 3.5Å; H142-Y268 VanDerWaalsContact NE2-OH 3.12Å; W156-Y268 PolarHBondContact NE1-O 3.15Å; W156-Y268 VanDerWaalsContact NE1-O 3.13Å; R258-Y268 PolarHBondContact NH1-OH 2.75Å; D264-Y268 WeakPolarHBondContact O-CD2 3.34Å; D264-Y268 WeakPolarHBondContact OD2-CE2 3.08Å; W265-Y268 PolarHBondContact O-N 3.48Å; K266-Y268 VanDerWaalsContact C-N 3.27Å; K266-Y268 PolarHBondContact O-N 2.99Å; Y268-T270 PolarHBondContact O-N 2.91Å
269F98.7Very high98.3Very high19 Ų1958.9 Ų58.98%0.08332%0.32CS..  trans-69.7122.3177.8-83.4-110.5000110.2K134 V138 W156 L160 W265 Q273 N274 F277K134-F269 HydrophobicContact CB-CE2 4.12Å; K134-F269 HydrophobicContact CB-CZ 4.11Å; K134-F269 HydrophobicContact CG-CE1 4.49Å; K134-F269 HydrophobicContact CG-CZ 4.2Å; V138-F269 HydrophobicContact CG2-CD2 4.1Å; V138-F269 HydrophobicContact CG2-CE2 3.84Å; W156-F269 HydrophobicContact CH2-CD2 4.24Å; W156-F269 AromaticContact CH2-CE2 3.65Å; W156-F269 HydrophobicContact CH2-CE2 3.65Å; W156-F269 HydrophobicContact CH2-CZ 4.13Å; W156-F269 AromaticContact CZ2-CD2 3.58Å; W156-F269 HydrophobicContact CZ2-CD2 3.58Å; W156-F269 AromaticContact CZ2-CE2 3.39Å; W156-F269 HydrophobicContact CZ2-CE2 3.39Å; W156-F269 HydrophobicContact CZ2-CG 4.26Å; W156-F269 AromaticContact CZ2-CZ 3.9Å; W156-F269 HydrophobicContact CZ2-CZ 3.9Å; L160-F269 HydrophobicContact CD1-CE1 3.96Å; L160-F269 HydrophobicContact CD1-CZ 3.67Å; L160-F269 HydrophobicContact CD2-CD1 4.28Å; L160-F269 HydrophobicContact CD2-CE1 3.85Å; L160-F269 HydrophobicContact CD2-CZ 4.26Å; W265-F269 HydrophobicContact CB-CD2 3.97Å; W265-F269 HydrophobicContact CB-CE2 4.06Å; W265-F269 HydrophobicContact CE3-CB 3.79Å; W265-F269 HydrophobicContact CE3-CD1 4.38Å; W265-F269 AromaticContact CE3-CD2 3.79Å; W265-F269 HydrophobicContact CE3-CD2 3.79Å; W265-F269 HydrophobicContact CE3-CE2 4.44Å; W265-F269 AromaticContact CE3-CG 3.74Å; W265-F269 HydrophobicContact CE3-CG 3.74Å; W265-F269 HydrophobicContact CZ3-CB 4.03Å; W265-F269 HydrophobicContact CZ3-CG 4.25Å; W265-F269 WeakPolarHBondContact O-CD2 3.29Å; W265-F269 PolarHBondContact O-N 2.78Å; F269-Q273 HydrophobicContact CD1-CB 4.19Å; F269-N274 HydrophobicContact CD1-CB 4.36Å; F269-F277 HydrophobicContact CE1-CB 4.01Å; F269-F277 AromaticContact CE1-CD2 3.95Å; F269-F277 HydrophobicContact CE1-CD2 3.95Å; F269-F277 AromaticContact CE1-CG 3.97Å; F269-F277 HydrophobicContact CE1-CG 3.97Å; F269-F277 HydrophobicContact CZ-CD2 4.22Å
270T98.8Very high98.3Very high75 Ų7556.3 Ų56.346%0.4631%0.311SS..  trans-68.6160.5160.765.10000109.9Y268 A272 Q273 N274Y268-T270 PolarHBondContact O-N 2.91Å; T270-A272 VanDerWaalsContact C-N 3.3Å; T270-A272 PolarHBondContact O-N 2.99Å; T270-Q273 VanDerWaalsContact N-OE1 3.09Å; T270-Q273 PolarHBondContact O-N 3.32Å; T270-Q273 WeakPolarHBondContact OG1-CB 3.42Å; T270-Q273 VanDerWaalsContact OG1-CG 3.24Å; T270-Q273 WeakPolarHBondContact OG1-CG 3.1Å; T270-Q273 PolarHBondContact OG1-N 2.96Å; T270-Q273 PolarHBondContact OG1-OE1 3.12Å; T270-N274 WeakPolarHBondContact O-CB 3.27Å; T270-N274 PolarHBondContact O-N 2.67Å
271V98.6Very high98.5Very high107 Ų10758 Ų5865%0.64831%0.313SS*.Hα-helixtrans-56.8-45.2176.1177.30000111Q273 N274 E275V271-Q273 PolarHBondContact O-N 3.1Å; V271-N274 WeakPolarHBondContact O-CB 3.49Å; V271-N274 PolarHBondContact O-N 3.02Å; V271-N274 VanDerWaalsContact O-N 3.11Å; V271-E275 HydrophobicContact CG1-CG 4.43Å; V271-E275 WeakPolarHBondContact O-CG 3.32Å; V271-E275 PolarHBondContact O-N 3.21Å
272A98.7Very high98.6Very high67 Ų6761.7 Ų61.755%0.55433%0.327SS*.Hα-helixtrans-61.8-42.6178.600000112.7T270 N274 E275 K276T270-A272 VanDerWaalsContact C-N 3.3Å; T270-A272 PolarHBondContact O-N 2.99Å; A272-N274 VanDerWaalsContact C-N 3.31Å; A272-N274 PolarHBondContact O-N 2.88Å; A272-E275 PolarHBondContact O-N 3.43Å; A272-K276 WeakPolarHBondContact O-CB 3.03Å; A272-K276 PolarHBondContact O-N 3.39Å
273Q98.8Very high98.6Very high24 Ų2465.6 Ų65.611%0.11235%0.349CS..Hα-helixtrans-63.3-39.8174.1-75.8169.5-19.100111.5L160 F269 T270 V271 F277L160-Q273 HydrophobicContact CD2-CB 3.75Å; L160-Q273 HydrophobicContact CD2-CG 3.86Å; F269-Q273 HydrophobicContact CD1-CB 4.19Å; T270-Q273 VanDerWaalsContact N-OE1 3.09Å; T270-Q273 PolarHBondContact O-N 3.32Å; T270-Q273 WeakPolarHBondContact OG1-CB 3.42Å; T270-Q273 VanDerWaalsContact OG1-CG 3.24Å; T270-Q273 WeakPolarHBondContact OG1-CG 3.1Å; T270-Q273 PolarHBondContact OG1-N 2.96Å; T270-Q273 PolarHBondContact OG1-OE1 3.12Å; V271-Q273 PolarHBondContact O-N 3.1Å; Q273-F277 WeakPolarHBondContact O-CB 3.48Å; Q273-F277 PolarHBondContact O-N 2.93Å
274N98.8Very high98.6Very high34 Ų3468.3 Ų68.318%0.18236%0.358CS..Hα-helixtrans-64-47.2178-174.272.1000112.1K134 W265 F269 T270 V271 A272 F277 D278K134-N274 WeakPolarHBondContact CE-OD1 3.18Å; K134-N274 PolarHBondContact NZ-OD1 3.1Å; W265-N274 WeakPolarHBondContact CH2-OD1 3.4Å; W265-N274 HydrophobicContact CZ3-CB 4.48Å; W265-N274 WeakPolarHBondContact CZ3-OD1 3.07Å; F269-N274 HydrophobicContact CD1-CB 4.36Å; T270-N274 WeakPolarHBondContact O-CB 3.27Å; T270-N274 PolarHBondContact O-N 2.67Å; V271-N274 WeakPolarHBondContact O-CB 3.49Å; V271-N274 PolarHBondContact O-N 3.02Å; V271-N274 VanDerWaalsContact O-N 3.11Å; A272-N274 VanDerWaalsContact C-N 3.31Å; A272-N274 PolarHBondContact O-N 2.88Å; N274-F277 PolarHBondContact O-N 3.49Å; N274-D278 PolarHBondContact ND2-OD2 3.43Å; N274-D278 WeakPolarHBondContact O-CB 3.45Å; N274-D278 VanDerWaalsContact O-CG 3.31Å; N274-D278 PolarHBondContact O-N 3.01Å
275E98.8Very high98.6Very high127 Ų12768.9 Ų68.959%0.59336%0.36SS*.Hα-helixtrans-61-46.2177.9-71.3173.6175.200111.9V271 A272 F277 D278 A279V271-E275 HydrophobicContact CG1-CG 4.43Å; V271-E275 WeakPolarHBondContact O-CG 3.32Å; V271-E275 PolarHBondContact O-N 3.21Å; A272-E275 PolarHBondContact O-N 3.43Å; E275-F277 VanDerWaalsContact C-N 3.33Å; E275-F277 PolarHBondContact O-N 3.08Å; E275-D278 PolarHBondContact O-N 3.27Å; E275-A279 PolarHBondContact O-N 3.06Å
276K98.7Very high98.5Very high99 Ų9972 Ų7243%0.4339%0.385SS..Hα-helixtrans-58.3-47.3174.2-179.4-177.2-179.1-178.40111.1E161 A272 A279 I280E161-K276 IonicContact OE1-NZ 3.51Å; E161-K276 IonicContact OE2-NZ 2.69Å; E161-K276 PolarHBondContact OE2-NZ 2.92Å; A272-K276 WeakPolarHBondContact O-CB 3.03Å; A272-K276 PolarHBondContact O-N 3.39Å; K276-A279 PolarHBondContact O-N 3.36Å; K276-I280 HydrophobicContact CG-CD1 4.17Å; K276-I280 WeakPolarHBondContact O-CG1 3.36Å; K276-I280 PolarHBondContact O-N 3.03Å
277F98.8Very high98.4Very high2 Ų271.7 Ų71.71%0.00941%0.411CS..Hα-helixtrans-61.7-46.2-179.8-170.3-82.1000111.3A133 K134 L160 F163 I164 F269 Q273 N274 E275 A279 I280 Y281A133-F277 HydrophobicContact CB-CE1 4.12Å; A133-F277 HydrophobicContact CB-CZ 3.59Å; K134-F277 HydrophobicContact CD-CD1 4.42Å; K134-F277 HydrophobicContact CG-CD1 3.94Å; K134-F277 HydrophobicContact CG-CE1 3.69Å; K134-F277 HydrophobicContact CG-CZ 4.25Å; L160-F277 HydrophobicContact CD1-CD2 4.03Å; L160-F277 HydrophobicContact CD1-CE2 4.3Å; F163-F277 HydrophobicContact CD1-CE2 4.27Å; F163-F277 HydrophobicContact CE1-CE2 4.15Å; F163-F277 HydrophobicContact CE1-CZ 4.41Å; I164-F277 HydrophobicContact CD1-CD2 3.92Å; I164-F277 HydrophobicContact CG1-CD2 3.78Å; I164-F277 HydrophobicContact CG1-CE2 4Å; F269-F277 HydrophobicContact CE1-CB 4.01Å; F269-F277 AromaticContact CE1-CD2 3.95Å; F269-F277 HydrophobicContact CE1-CD2 3.95Å; F269-F277 AromaticContact CE1-CG 3.97Å; F269-F277 HydrophobicContact CE1-CG 3.97Å; F269-F277 HydrophobicContact CZ-CD2 4.22Å; Q273-F277 WeakPolarHBondContact O-CB 3.48Å; Q273-F277 PolarHBondContact O-N 2.93Å; N274-F277 PolarHBondContact O-N 3.49Å; E275-F277 VanDerWaalsContact C-N 3.33Å; E275-F277 PolarHBondContact O-N 3.08Å; F277-A279 VanDerWaalsContact C-N 3.34Å; F277-A279 PolarHBondContact O-N 2.89Å; F277-I280 PolarHBondContact O-N 3.12Å; F277-Y281 AromaticContact CE1-CD2 3.77Å; F277-Y281 HydrophobicContact CE1-CD2 3.77Å; F277-Y281 HydrophobicContact CE1-CG 4.32Å; F277-Y281 HydrophobicContact CZ-CD2 4.43Å; F277-Y281 VanDerWaalsContact O-CB 3.22Å; F277-Y281 WeakPolarHBondContact O-CB 3.35Å; F277-Y281 PolarHBondContact O-N 3.27Å
278D98.8Very high98.3Very high64 Ų6467.8 Ų67.834%0.34239%0.391SS..Hα-helixtrans-64.6-36.7-178.6-74.1-22.7000112.2K134 N274 E275 Y281 K282K134-D278 WeakPolarHBondContact CE-OD1 3.47Å; K134-D278 VanDerWaalsContact NZ-CG 3.32Å; K134-D278 IonicContact NZ-OD1 2.77Å; K134-D278 PolarHBondContact NZ-OD1 2.95Å; K134-D278 IonicContact NZ-OD2 3.21Å; K134-D278 PolarHBondContact NZ-OD2 3.28Å; N274-D278 PolarHBondContact ND2-OD2 3.43Å; N274-D278 WeakPolarHBondContact O-CB 3.45Å; N274-D278 VanDerWaalsContact O-CG 3.31Å; N274-D278 PolarHBondContact O-N 3.01Å; E275-D278 PolarHBondContact O-N 3.27Å; D278-Y281 PolarHBondContact O-N 3.33Å; D278-K282 VanDerWaalsContact O-CB 3.31Å; D278-K282 WeakPolarHBondContact O-CB 3.29Å; D278-K282 PolarHBondContact O-N 3.2Å
279A98.7Very high98.3Very high60 Ų6067.7 Ų67.750%0.49641%0.405SS..Hα-helixtrans-63.2-43.6174.600000112.5E275 K276 F277 T283E275-A279 PolarHBondContact O-N 3.06Å; K276-A279 PolarHBondContact O-N 3.36Å; F277-A279 VanDerWaalsContact C-N 3.34Å; F277-A279 PolarHBondContact O-N 2.89Å; A279-T283 PolarHBondContact O-N 3.37Å; A279-T283 PolarHBondContact O-OG1 2.84Å; A279-T283 VanDerWaalsContact O-OG1 3.09Å
280I98.6Very high98.3Very high51 Ų5167.4 Ų67.426%0.26240%0.404SS..Hα-helixtrans-70.7-44.5177.5-63.8169.8000110.3I164 F174 K276 F277 K282 T283 E284I164-I280 HydrophobicContact CG2-CB 4.48Å; I164-I280 HydrophobicContact CG2-CD1 3.48Å; I164-I280 VanDerWaalsContact CG2-CD1 3.48Å; I164-I280 HydrophobicContact CG2-CG2 3.95Å; F174-I280 HydrophobicContact CZ-CG2 4.47Å; K276-I280 HydrophobicContact CG-CD1 4.17Å; K276-I280 WeakPolarHBondContact O-CG1 3.36Å; K276-I280 PolarHBondContact O-N 3.03Å; F277-I280 PolarHBondContact O-N 3.12Å; I280-K282 VanDerWaalsContact C-N 3.31Å; I280-K282 PolarHBondContact O-N 3.31Å; I280-T283 WeakPolarHBondContact O-CB 3.41Å; I280-T283 PolarHBondContact O-N 2.93Å; I280-T283 VanDerWaalsContact O-N 3.08Å; I280-E284 HydrophobicContact CG2-CG 4.24Å; I280-E284 PolarHBondContact O-N 3.05Å
281Y98.6Very high98.3Very high50 Ų5071.6 Ų71.620%0.19642%0.419CS..Hα-helixtrans-57-44.5177.5-173.7-82.5000111.3A133 W173 F174 F277 D278 T283 E284 M285 F292A133-Y281 HydrophobicContact CB-CD2 4.39Å; A133-Y281 HydrophobicContact CB-CE2 4.16Å; W173-Y281 AromaticContact CH2-CE2 3.69Å; W173-Y281 HydrophobicContact CH2-CE2 3.69Å; W173-Y281 HydrophobicContact CZ3-CD2 4.29Å; W173-Y281 AromaticContact CZ3-CE2 3.61Å; W173-Y281 HydrophobicContact CZ3-CE2 3.61Å; F174-Y281 AromaticContact CE1-CD2 3.65Å; F174-Y281 HydrophobicContact CE1-CD2 3.65Å; F174-Y281 HydrophobicContact CE1-CE2 4.31Å; F174-Y281 HydrophobicContact CE1-CG 4.28Å; F174-Y281 HydrophobicContact CZ-CD2 4.45Å; F277-Y281 AromaticContact CE1-CD2 3.77Å; F277-Y281 HydrophobicContact CE1-CD2 3.77Å; F277-Y281 HydrophobicContact CE1-CG 4.32Å; F277-Y281 HydrophobicContact CZ-CD2 4.43Å; F277-Y281 VanDerWaalsContact O-CB 3.22Å; F277-Y281 WeakPolarHBondContact O-CB 3.35Å; F277-Y281 PolarHBondContact O-N 3.27Å; D278-Y281 PolarHBondContact O-N 3.33Å; Y281-T283 VanDerWaalsContact C-N 3.31Å; Y281-T283 PolarHBondContact O-N 2.68Å; Y281-E284 PolarHBondContact O-N 3.12Å; Y281-M285 HydrophobicContact CD1-CB 4.21Å; Y281-M285 HydrophobicContact CD1-CG 4.07Å; Y281-M285 HydrophobicContact CD2-CG 4.16Å; Y281-M285 HydrophobicContact CE1-CB 3.92Å; Y281-M285 HydrophobicContact CE1-CG 3.81Å; Y281-M285 HydrophobicContact CE2-CG 3.89Å; Y281-M285 HydrophobicContact CG-CG 4.23Å; Y281-M285 VanDerWaalsContact O-CB 3.23Å; Y281-M285 WeakPolarHBondContact O-CB 3.49Å; Y281-M285 WeakPolarHBondContact O-CG 3.34Å; Y281-M285 PolarHBondContact O-N 3.09Å; Y281-F292 VanDerWaalsContact OH-CD2 3.26Å; Y281-F292 WeakPolarHBondContact OH-CD2 3.28Å
282K98.3Very high98.3Very high162 Ų16267.9 Ų67.970%0.70439%0.394SS*.Hα-helixtrans-60.1-41.7176.1-175.3179.4-179.7-179.10111.8D278 I280 S286D278-K282 VanDerWaalsContact O-CB 3.31Å; D278-K282 WeakPolarHBondContact O-CB 3.29Å; D278-K282 PolarHBondContact O-N 3.2Å; I280-K282 VanDerWaalsContact C-N 3.31Å; I280-K282 PolarHBondContact O-N 3.31Å; K282-S286 VanDerWaalsContact O-CB 3.24Å; K282-S286 WeakPolarHBondContact O-CB 3.19Å; K282-S286 PolarHBondContact O-N 2.59Å
283T98.3Very high98.3Very high101 Ų10168.4 Ų68.462%0.6238%0.382SS*.Hα-helixtrans-64-54.1176.4-56.80000110.7A279 I280 Y281 M285 S286A279-T283 PolarHBondContact O-N 3.37Å; A279-T283 PolarHBondContact O-OG1 2.84Å; A279-T283 VanDerWaalsContact O-OG1 3.09Å; I280-T283 WeakPolarHBondContact O-CB 3.41Å; I280-T283 PolarHBondContact O-N 2.93Å; I280-T283 VanDerWaalsContact O-N 3.08Å; Y281-T283 VanDerWaalsContact C-N 3.31Å; Y281-T283 PolarHBondContact O-N 2.68Å; T283-M285 PolarHBondContact O-N 3.24Å; T283-S286 PolarHBondContact O-N 3.33Å; T283-S286 PolarHBondContact O-OG 3.01Å
284E98.6Very high98.2Very high73 Ų7369.4 Ų69.434%0.34139%0.389SS..Hα-helixtrans-65.1-36.1-175.8-80.4-65.8160.500114F174 K178 I280 Y281F174-E284 HydrophobicContact CB-CB 4.16Å; F174-E284 HydrophobicContact CB-CG 4.32Å; F174-E284 HydrophobicContact CD1-CB 3.48Å; F174-E284 VanDerWaalsContact CD1-CB 3.48Å; F174-E284 HydrophobicContact CD1-CG 4.02Å; F174-E284 HydrophobicContact CD2-CB 4.31Å; F174-E284 HydrophobicContact CD2-CG 3.92Å; F174-E284 HydrophobicContact CE1-CB 3.85Å; F174-E284 HydrophobicContact CE1-CG 4.29Å; F174-E284 HydrophobicContact CE2-CG 4.2Å; F174-E284 HydrophobicContact CG-CB 3.74Å; F174-E284 HydrophobicContact CG-CG 3.84Å; F174-E284 HydrophobicContact CZ-CB 4.41Å; F174-E284 HydrophobicContact CZ-CG 4.38Å; K178-E284 PolarHBondContact NZ-O 3.33Å; K178-E284 IonicContact NZ-OE2 3.18Å; K178-E284 PolarHBondContact NZ-OE2 3.45Å; I280-E284 HydrophobicContact CG2-CG 4.24Å; I280-E284 PolarHBondContact O-N 3.05Å; Y281-E284 PolarHBondContact O-N 3.12Å
285M98.4Very high98.1Very high17 Ų1772.6 Ų72.68%0.08440%0.403CS..THydrogen-bonded Turntrans-101.85.2-175.3-56.9-59.3-77.200112.6W173 F174 V177 K178 Y281 T283 T288 L290 F292W173-M285 HydrophobicContact CH2-CE 4.03Å; W173-M285 HydrophobicContact CZ3-CE 4.03Å; W173-M285 HydrophobicContact CZ3-CG 4.39Å; W173-M285 HydrophobicContact CZ3-SD 3.95Å; F174-M285 HydrophobicContact CD1-CG 3.96Å; F174-M285 HydrophobicContact CD1-SD 3.83Å; F174-M285 HydrophobicContact CE1-CG 4.3Å; V177-M285 HydrophobicContact CG2-CE 4.01Å; K178-M285 HydrophobicContact CD-SD 4.16Å; K178-M285 HydrophobicContact CG-CE 4.46Å; K178-M285 HydrophobicContact CG-SD 4.15Å; Y281-M285 HydrophobicContact CD1-CB 4.21Å; Y281-M285 HydrophobicContact CD1-CG 4.07Å; Y281-M285 HydrophobicContact CD2-CG 4.16Å; Y281-M285 HydrophobicContact CE1-CB 3.92Å; Y281-M285 HydrophobicContact CE1-CG 3.81Å; Y281-M285 HydrophobicContact CE2-CG 3.89Å; Y281-M285 HydrophobicContact CG-CG 4.23Å; Y281-M285 VanDerWaalsContact O-CB 3.23Å; Y281-M285 WeakPolarHBondContact O-CB 3.49Å; Y281-M285 WeakPolarHBondContact O-CG 3.34Å; Y281-M285 PolarHBondContact O-N 3.09Å; T283-M285 PolarHBondContact O-N 3.24Å; M285-T288 HydrophobicContact CB-CG2 4.08Å; M285-T288 HydrophobicContact CE-CG2 3.83Å; M285-T288 WeakPolarHBondContact O-CG2 3.42Å; M285-T288 HydrophobicContact SD-CG2 4.34Å; M285-L290 HydrophobicContact CE-CB 4.09Å; M285-L290 HydrophobicContact CE-CD1 3.82Å; M285-F292 HydrophobicContact CE-CD2 4.32Å; M285-F292 HydrophobicContact CE-CE2 3.89Å
286S96.4Very high97.9Very high86 Ų8668.4 Ų68.460%0.60138%0.384SS*.THydrogen-bonded Turntrans-62.4139.4169650000110.5K282 T283 T288K282-S286 VanDerWaalsContact O-CB 3.24Å; K282-S286 WeakPolarHBondContact O-CB 3.19Å; K282-S286 PolarHBondContact O-N 2.59Å; T283-S286 PolarHBondContact O-N 3.33Å; T283-S286 PolarHBondContact O-OG 3.01Å; S286-T288 VanDerWaalsContact C-N 3.28Å; S286-T288 PolarHBondContact O-N 3.02Å
287G95.8Very high96.9Very high94 Ų9468.1 Ų68.197%0.96940%0.395SS*.THydrogen-bonded Turntrans78.1-1.5176.700000116.1
288T97.3Very high94.9Very high39 Ų3980 Ų8024%0.23944%0.44CS..  trans-92.1152167.4179.30000111.6M285 S286 L290M285-T288 HydrophobicContact CB-CG2 4.08Å; M285-T288 HydrophobicContact CE-CG2 3.83Å; M285-T288 WeakPolarHBondContact O-CG2 3.42Å; M285-T288 HydrophobicContact SD-CG2 4.34Å; S286-T288 VanDerWaalsContact C-N 3.28Å; S286-T288 PolarHBondContact O-N 3.02Å; T288-L290 VanDerWaalsContact C-N 3.28Å; T288-L290 HydrophobicContact CG2-CB 4.03Å; T288-L290 HydrophobicContact CG2-CD1 4.48Å; T288-L290 WeakPolarHBondContact OG1-CG 3.26Å; T288-L290 PolarHBondContact OG1-N 3.43Å; T288-L290 VanDerWaalsContact OG1-N 3.14Å
289A98.1Very high92.3Very high70 Ų7086.1 Ų86.158%0.57948%0.479SS*.  trans-84-2.317200000113.1W181 Q291W181-A289 HydrophobicContact CZ2-CB 4.36Å; A289-Q291 PolarHBondContact O-N 2.89Å
290L98.4Very high92Very high13 Ų1387.5 Ų87.57%0.06848%0.478CS..  trans-63.2128.4176.9-76.3167.5000111.1V177 K178 W181 F191 Y193 M285 T288 F292V177-L290 HydrophobicContact CB-CD1 4.35Å; V177-L290 HydrophobicContact CG2-CD1 4.03Å; K178-L290 HydrophobicContact CG-CD1 4.35Å; W181-L290 HydrophobicContact CB-CD1 3.94Å; W181-L290 HydrophobicContact CB-CD2 3.96Å; W181-L290 HydrophobicContact CB-CG 4.08Å; W181-L290 HydrophobicContact CD2-CD2 3.44Å; W181-L290 VanDerWaalsContact CD2-CD2 3.44Å; W181-L290 HydrophobicContact CD2-CG 3.86Å; W181-L290 HydrophobicContact CE3-CD2 3.34Å; W181-L290 HydrophobicContact CE3-CG 4.27Å; W181-L290 HydrophobicContact CG-CD1 4.14Å; W181-L290 HydrophobicContact CG-CD2 3.72Å; W181-L290 HydrophobicContact CG-CG 3.75Å; W181-L290 HydrophobicContact CZ3-CD2 3.98Å; F191-L290 HydrophobicContact CE1-CD2 3.81Å; F191-L290 HydrophobicContact CE2-CD2 4.45Å; F191-L290 HydrophobicContact CZ-CD2 3.63Å; Y193-L290 HydrophobicContact CE1-CD2 4.3Å; Y193-L290 VanDerWaalsContact OH-CD2 3.23Å; Y193-L290 WeakPolarHBondContact OH-CD2 3.32Å; M285-L290 HydrophobicContact CE-CB 4.09Å; M285-L290 HydrophobicContact CE-CD1 3.82Å; T288-L290 VanDerWaalsContact C-N 3.28Å; T288-L290 HydrophobicContact CG2-CB 4.03Å; T288-L290 HydrophobicContact CG2-CD1 4.48Å; T288-L290 WeakPolarHBondContact OG1-CG 3.26Å; T288-L290 PolarHBondContact OG1-N 3.43Å; T288-L290 VanDerWaalsContact OG1-N 3.14Å; L290-F292 HydrophobicContact CB-CD2 4.36Å; L290-F292 HydrophobicContact CB-CE2 3.88Å; L290-F292 HydrophobicContact CD1-CE2 4.18Å; L290-F292 HydrophobicContact CD2-CE2 4.19Å; L290-F292 HydrophobicContact CD2-CZ 4.33Å; L290-F292 HydrophobicContact CG-CE2 4.32Å
291Q98.2Very high91.7Very high164 Ų16489.4 Ų89.477%0.76649%0.49SS*.  trans-123.4112175.6-63-173.813.300109.7A289A289-Q291 PolarHBondContact O-N 2.89Å
292F98.6Very high91.3Very high29 Ų2991.6 Ų91.613%0.12751%0.506CS..  trans-104.7139.9177.5-70.1-87.1000110.2A130 N132 W173 V177 Y193 Y281 M285 L290A130-F292 HydrophobicContact CB-CE1 3.53Å; A130-F292 HydrophobicContact CB-CZ 3.82Å; N132-F292 HydrophobicContact CB-CB 4.14Å; N132-F292 HydrophobicContact CB-CD1 4.46Å; W173-F292 AromaticContact CH2-CD2 3.82Å; W173-F292 HydrophobicContact CH2-CD2 3.82Å; W173-F292 HydrophobicContact CH2-CE1 4.42Å; W173-F292 AromaticContact CH2-CE2 3.55Å; W173-F292 HydrophobicContact CH2-CE2 3.55Å; W173-F292 HydrophobicContact CH2-CG 4.35Å; W173-F292 AromaticContact CH2-CZ 3.89Å; W173-F292 HydrophobicContact CH2-CZ 3.89Å; W173-F292 HydrophobicContact CZ2-CD1 4.22Å; W173-F292 HydrophobicContact CZ2-CD2 4.18Å; W173-F292 AromaticContact CZ2-CE1 3.83Å; W173-F292 HydrophobicContact CZ2-CE1 3.83Å; W173-F292 AromaticContact CZ2-CE2 3.77Å; W173-F292 HydrophobicContact CZ2-CE2 3.77Å; W173-F292 HydrophobicContact CZ2-CG 4.37Å; W173-F292 AromaticContact CZ2-CZ 3.58Å; W173-F292 HydrophobicContact CZ2-CZ 3.58Å; V177-F292 HydrophobicContact CB-CZ 4.23Å; V177-F292 HydrophobicContact CG1-CZ 4.26Å; V177-F292 HydrophobicContact CG2-CE2 4.34Å; V177-F292 HydrophobicContact CG2-CZ 4.29Å; Y193-F292 AromaticContact CD1-CD1 3.84Å; Y193-F292 HydrophobicContact CD1-CD1 3.84Å; Y193-F292 AromaticContact CD1-CE1 3.75Å; Y193-F292 HydrophobicContact CD1-CE1 3.75Å; Y193-F292 HydrophobicContact CD1-CZ 4.46Å; Y193-F292 AromaticContact CE1-CD1 3.94Å; Y193-F292 HydrophobicContact CE1-CD1 3.94Å; Y193-F292 AromaticContact CE1-CE1 3.7Å; Y193-F292 HydrophobicContact CE1-CE1 3.7Å; Y193-F292 HydrophobicContact CE1-CE2 4.42Å; Y193-F292 HydrophobicContact CE1-CG 4.4Å; Y193-F292 AromaticContact CE1-CZ 3.97Å; Y193-F292 HydrophobicContact CE1-CZ 3.97Å; Y281-F292 VanDerWaalsContact OH-CD2 3.26Å; Y281-F292 WeakPolarHBondContact OH-CD2 3.28Å; M285-F292 HydrophobicContact CE-CD2 4.32Å; M285-F292 HydrophobicContact CE-CE2 3.89Å; L290-F292 HydrophobicContact CB-CD2 4.36Å; L290-F292 HydrophobicContact CB-CE2 3.88Å; L290-F292 HydrophobicContact CD1-CE2 4.18Å; L290-F292 HydrophobicContact CD2-CE2 4.19Å; L290-F292 HydrophobicContact CD2-CZ 4.33Å; L290-F292 HydrophobicContact CG-CE2 4.32Å
293R98.6Very high90.9Very high77 Ų7787.4 Ų87.429%0.29149%0.494SS..  trans-98.6134.4171.2-60.9-174.7-70.2162.2-6.9108.9N132 E195 D196 E199N132-R293 WeakPolarHBondContact CB-O 3.42Å; N132-R293 PolarHBondContact ND2-O 3.15Å; E195-R293 HydrophobicContact CB-CB 4.3Å; E195-R293 HydrophobicContact CG-CB 4.31Å; E195-R293 VanDerWaalsContact CG-O 3.3Å; E195-R293 WeakPolarHBondContact CG-O 3.34Å; D196-R293 IonicContact OD1-CZ 2.69Å; D196-R293 IonicContact OD1-NE 2.88Å; D196-R293 IonicContact OD1-NH2 3.92Å; D196-R293 PolarHBondContact OD1-NH2 2.91Å; E199-R293 IonicContact OE1-CZ 2.96Å; E199-R293 IonicContact OE1-NH1 3.92Å; E199-R293 PolarHBondContact OE1-NH1 3.4Å; E199-R293 IonicContact OE2-CZ 2.78Å; E199-R293 IonicContact OE2-NH1 3.68Å; E199-R293 PolarHBondContact OE2-NH1 2.89Å; E199-R293 IonicContact OE2-NH2 2.77Å; E199-R293 PolarHBondContact OE2-NH2 3.41Å
294T98.4Very high90.4Very high45 Ų4586.6 Ų86.628%0.27649%0.487SS..SBendtrans-93.9-4.3178.3520000112.4N132 K134 G263 W265N132-T294 HydrophobicContact CB-CG2 4.36Å; K134-T294 HydrophobicContact CD-CG2 4.07Å; G263-T294 WeakPolarHBondContact CA-O 3.3Å; G263-T294 PolarHBondContact N-O 2.98Å; W265-T294 PolarHBondContact NE1-O 2.93Å
295E96.6Very high89.9Confident102 Ų10287.5 Ų87.548%0.47750%0.496SS..  trans-158159.5174.961.4-165.7112.500109K266K266-E295 WeakPolarHBondContact CE-OE1 3.42Å; K266-E295 IonicContact NZ-OE1 2.69Å; K266-E295 PolarHBondContact NZ-OE1 3.43Å; K266-E295 IonicContact NZ-OE2 3.91Å; K266-E295 PolarHBondContact NZ-OE2 3.16Å
296I94.6Very high89.2Confident38 Ų3892.5 Ų92.520%0.19553%0.526CS..  trans-122.7150.3171.861.8-177.8000108.1E195 K198 E199 A262 R298E195-I296 HydrophobicContact CB-CG2 3.94Å; K198-I296 HydrophobicContact CB-CD1 3.64Å; E199-I296 HydrophobicContact CB-CD1 4.27Å; E199-I296 HydrophobicContact CB-CG2 4.38Å; A262-I296 HydrophobicContact CB-CD1 4.37Å; A262-I296 HydrophobicContact CB-CG1 4.23Å; A262-I296 HydrophobicContact CB-CG2 4.3Å; I296-R298 PolarHBondContact O-N 2.85Å
297S77.7Confident88.7Confident93 Ų9393 Ų9365%0.6552%0.52SS*.  trans-58.3130.9174.7-57.10000108.7V299S297-V299 PolarHBondContact O-N 3.39Å
298R56.4Low88.1Confident251 Ų25192.9 Ų92.995%0.94748%0.483SS*.  trans-63112.7171.3-70.3-176.6-178.91800.5107.2I296I296-R298 PolarHBondContact O-N 2.85Å
299V44.5Very low87.3Confident194 Ų19497.8 Ų97.8100%1.17651%0.505SS*.  trans-77.40163.1-172.80000108S297S297-V299 PolarHBondContact O-N 3.39Å

Retrieved 299 of 299 residues in 83.4 ms (Link to these results)

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