A0A077Z254_TRITR Loading...

Tubulin-specific chaperone E

AlphaFold DB , UniProt , Accession A0A077Z254, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 324 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
1M38.6Very low62Low194 Ų19461 Ų6196%0.95635%0.351SS*.  0137.80-73.1-167171.100107.2A3M1-A3 PolarHBondContact O-N 2.89Å
2P45Very low63.8Low87 Ų8761.8 Ų61.857%0.56535%0.345SS*.  trans-55.9135.917224-30.9000108.4V4 Y69P2-V4 PolarHBondContact O-N 2.89Å; P2-Y69 HydrophobicContact CG-CD2 3.88Å; P2-Y69 HydrophobicContact CG-CE2 4.01Å
3A56.6Low65.3Low80 Ų8072.5 Ų72.566%0.66138%0.377SS*.  trans-56.3116.6175.900000107.8M1 L5M1-A3 PolarHBondContact O-N 2.89Å; A3-L5 PolarHBondContact O-N 3.39Å
4V58.9Low66.1Low25 Ų2575.7 Ų75.715%0.15240%0.395CS..  trans-69.6104.4176.3177.50000106.9P2 V19 H22 I29 P64 Y69P2-V4 PolarHBondContact O-N 2.89Å; V4-V19 HydrophobicContact CG1-CG1 3.97Å; V4-H22 HydrophobicContact CG1-CB 4.14Å; V4-I29 HydrophobicContact CB-CG2 4.44Å; V4-I29 HydrophobicContact CG1-CG2 3.42Å; V4-I29 VanDerWaalsContact CG1-CG2 3.42Å; V4-I29 HydrophobicContact CG2-CG2 4.3Å; V4-P64 HydrophobicContact CG2-CB 3.82Å; V4-P64 HydrophobicContact CG2-CG 4.12Å; V4-Y69 HydrophobicContact CB-CE1 4.5Å; V4-Y69 HydrophobicContact CG1-CE1 4.29Å; V4-Y69 HydrophobicContact CG2-CE1 4.18Å; V4-Y69 WeakPolarHBondContact CG2-OH 3.42Å
5L64.6Low66.8Low80 Ų8070.7 Ų70.742%0.41937%0.369SS..  trans-85.2120.4178.3-68.2168000108.8A3 G7 C8A3-L5 PolarHBondContact O-N 3.39Å; L5-G7 PolarHBondContact O-N 2.7Å; L5-C8 HydrophobicContact CB-CB 3.91Å; L5-C8 VanDerWaalsContact O-CB 3.23Å; L5-C8 WeakPolarHBondContact O-CB 3.44Å; L5-C8 PolarHBondContact O-N 3.04Å; L5-C8 PolarHBondContact O-SG 3.26Å
6L70.2Confident67.3Low106 Ų10670.3 Ų70.356%0.55536%0.361SS*.THydrogen-bonded Turntrans-55.5134.7168.3-74.5172.6000109C8 V19 H22L6-C8 VanDerWaalsContact C-N 3.29Å; L6-C8 PolarHBondContact O-N 2.92Å; L6-V19 HydrophobicContact CD2-CG1 4.35Å; L6-H22 HydrophobicContact CD2-CB 3.82Å; L6-H22 HydrophobicContact CG-CB 4.27Å
7G64.7Low67.7Low20 Ų2066.1 Ų66.121%0.20634%0.34CS..THydrogen-bonded Turntrans83.7-7.9-174.600000114.9L5 V19L5-G7 PolarHBondContact O-N 2.7Å; G7-V19 WeakPolarHBondContact CA-O 3.3Å; G7-V19 PolarHBondContact N-O 3.05Å
8C63.4Low68.2Low5 Ų562.7 Ų62.73%0.03432%0.322CS..  trans-69.1158.4177.676.90000112.6L5 L6 V19 Y69L5-C8 HydrophobicContact CB-CB 3.91Å; L5-C8 VanDerWaalsContact O-CB 3.23Å; L5-C8 WeakPolarHBondContact O-CB 3.44Å; L5-C8 PolarHBondContact O-N 3.04Å; L5-C8 PolarHBondContact O-SG 3.26Å; L6-C8 VanDerWaalsContact C-N 3.29Å; L6-C8 PolarHBondContact O-N 2.92Å; C8-V19 PolarHBondContact O-N 2.96Å; C8-Y69 VanDerWaalsContact SG-CD1 3.58Å
9R69.1Low69Low19 Ų1959.4 Ų59.47%0.07231%0.305CS..EExtended strand (participates in β ladder)trans-89.2137.6178.4-70.8-69.2-93.3173.612111.8T18 D34 Y69 G70 S128 H129R9-T18 WeakPolarHBondContact CD-OG1 3.08Å; R9-T18 PolarHBondContact NH1-OG1 3.38Å; R9-D34 IonicContact CZ-OD1 2.98Å; R9-D34 IonicContact CZ-OD2 2.85Å; R9-D34 IonicContact NH1-OD1 3.84Å; R9-D34 PolarHBondContact NH1-OD1 3.05Å; R9-D34 IonicContact NH1-OD2 3.62Å; R9-D34 PolarHBondContact NH1-OD2 3.08Å; R9-D34 IonicContact NH2-OD1 2.67Å; R9-D34 IonicContact NH2-OD2 3.64Å; R9-D34 PolarHBondContact NH2-OD2 3.39Å; R9-Y69 CarbonylContact O-C 3.5Å; R9-Y69 WeakPolarHBondContact O-CA 3.35Å; R9-G70 PolarHBondContact O-N 3.29Å; R9-S128 PolarHBondContact NE-O 2.93Å; R9-H129 VanDerWaalsContact CD-CB 3.42Å; R9-H129 HydrophobicContact CG-CB 4.05Å; R9-H129 WeakPolarHBondContact CG-O 3.08Å; R9-H129 PolarHBondContact NH1-CD2 3.5Å; R9-H129 PolarHBondContact NH1-NE2 3.37Å
10V74.5Confident69.7Low4 Ų460.9 Ų60.92%0.02431%0.31CS..EExtended strand (participates in β ladder)trans-129.4142.2177.4-66.50000110.5R16 G17 V19 I31 V67 Q68 Y69V10-R16 WeakPolarHBondContact O-CA 3.48Å; V10-G17 WeakPolarHBondContact CG2-O 3.22Å; V10-G17 PolarHBondContact N-O 3.45Å; V10-G17 PolarHBondContact O-N 3.5Å; V10-V19 HydrophobicContact CG1-CG2 3.58Å; V10-V19 HydrophobicContact CG2-CG2 4.1Å; V10-I31 HydrophobicContact CG2-CD1 3.74Å; V10-I31 HydrophobicContact CG2-CG1 3.94Å; V10-I31 HydrophobicContact CG2-CG2 3.79Å; V10-V67 HydrophobicContact CB-CB 3.94Å; V10-V67 HydrophobicContact CB-CG2 3.77Å; V10-V67 HydrophobicContact CG1-CB 4.29Å; V10-V67 HydrophobicContact CG1-CG2 3.56Å; V10-V67 HydrophobicContact CG2-CG2 4.49Å; V10-Q68 CarbonylContact C-O 2.96Å; V10-Q68 WeakPolarHBondContact CA-O 3.41Å; V10-Y69 HydrophobicContact CG1-CD1 3.76Å; V10-Y69 HydrophobicContact CG1-CE1 3.82Å; V10-Y69 HydrophobicContact CG1-CG 4.33Å
11K76.7Confident70.6Confident51 Ų5160.3 Ų60.322%0.22230%0.304CS..EExtended strand (participates in β ladder)trans-113.9136.9171.5179.2-178.2172-171.60108.8W13 A15 Q68K11-W13 WeakPolarHBondContact CE-O 3.34Å; K11-W13 WeakPolarHBondContact CG-O 3.19Å; K11-A15 WeakPolarHBondContact CA-O 3.43Å; K11-Q68 HydrophobicContact CB-CB 4.28Å; K11-Q68 PolarHBondContact N-O 2.98Å; K11-Q68 PolarHBondContact O-N 3.41Å
12Y83.4Confident72.8Confident71 Ų7155.6 Ų55.628%0.27828%0.279SS..EExtended strand (participates in β ladder)trans-137.3111.5172-175.3-102.2000108.3D14 A15 W33 M62 S66 V67Y12-D14 PolarHBondContact O-N 2.95Å; Y12-A15 PolarHBondContact N-O 3.36Å; Y12-A15 PolarHBondContact O-N 2.89Å; Y12-A15 VanDerWaalsContact O-N 3.12Å; Y12-W33 HydrophobicContact CG-CH2 4.48Å; Y12-M62 HydrophobicContact CD1-CE 3.89Å; Y12-M62 HydrophobicContact CD1-SD 4.36Å; Y12-M62 HydrophobicContact CD2-CE 3.41Å; Y12-M62 VanDerWaalsContact CD2-CE 3.41Å; Y12-M62 HydrophobicContact CD2-SD 4.41Å; Y12-M62 HydrophobicContact CE1-CE 3.86Å; Y12-M62 HydrophobicContact CE2-CE 3.46Å; Y12-M62 VanDerWaalsContact CE2-CE 3.46Å; Y12-M62 HydrophobicContact CG-CE 3.61Å; Y12-M62 HydrophobicContact CG-SD 4.12Å; Y12-S66 WeakPolarHBondContact CD2-O 3.33Å; Y12-S66 VanDerWaalsContact CE2-O 3.28Å; Y12-S66 WeakPolarHBondContact CE2-O 3.41Å; Y12-V67 HydrophobicContact CD2-CG1 4.17Å; Y12-V67 HydrophobicContact CG-CG1 4.49Å
13W83.9Confident74.3Confident200 Ų20051.6 Ų51.676%0.75825%0.254SS*.THydrogen-bonded Turntrans54.6-124.7-166.4-63.693.4000111.9K11K11-W13 WeakPolarHBondContact CE-O 3.34Å; K11-W13 WeakPolarHBondContact CG-O 3.19Å
14D75.8Confident74.9Confident118 Ų11852.7 Ų52.763%0.63126%0.263SS*.THydrogen-bonded Turntrans-82.2-17.5177.555.7-15.9000113.2Y12Y12-D14 PolarHBondContact O-N 2.95Å
15A77.1Confident74.8Confident0 Ų056.9 Ų56.90%029%0.288CS..EExtended strand (participates in β ladder)trans-87.7146.9-176.500000114.1K11 Y12 W33 R38K11-A15 WeakPolarHBondContact CA-O 3.43Å; Y12-A15 PolarHBondContact N-O 3.36Å; Y12-A15 PolarHBondContact O-N 2.89Å; Y12-A15 VanDerWaalsContact O-N 3.12Å; A15-W33 HydrophobicContact CB-CE3 3.97Å; A15-W33 HydrophobicContact CB-CZ3 4.18Å; A15-R38 HydrophobicContact CB-CG 3.58Å
16R74.1Confident74.7Confident64 Ų6455.6 Ų55.624%0.24229%0.294CS..EExtended strand (participates in β ladder)trans-121.2141.7176.9-63.5176.5-176.3760.9110.2V10 W33 D34 F97V10-R16 WeakPolarHBondContact O-CA 3.48Å; R16-W33 VanDerWaalsContact C-CE3 3.49Å; R16-D34 WeakPolarHBondContact O-CB 3.44Å; R16-D34 PolarHBondContact O-N 2.92Å; R16-F97 VanDerWaalsContact NE-CZ 3.33Å
17G75.2Confident75.1Confident0 Ų057.5 Ų57.50%030%0.298CS..EExtended strand (participates in β ladder)trans-151.6172.4178.700000112V10 D32V10-G17 WeakPolarHBondContact CG2-O 3.22Å; V10-G17 PolarHBondContact N-O 3.45Å; V10-G17 PolarHBondContact O-N 3.5Å; G17-D32 CarbonylContact C-O 3.48Å; G17-D32 VanDerWaalsContact CA-O 3.26Å; G17-D32 WeakPolarHBondContact CA-O 3.34Å
18T76.4Confident76.3Confident5 Ų561.3 Ų61.33%0.03131%0.306CS..EExtended strand (participates in β ladder)trans-116.1130.9-178.5-57.20000108.9R9 K20 I31 D32 H129R9-T18 WeakPolarHBondContact CD-OG1 3.08Å; R9-T18 PolarHBondContact NH1-OG1 3.38Å; T18-K20 PolarHBondContact O-N 3.27Å; T18-K20 VanDerWaalsContact O-N 3.11Å; T18-I31 CarbonylContact O-C 3.5Å; T18-I31 WeakPolarHBondContact O-CA 3.36Å; T18-D32 PolarHBondContact N-O 3.02Å; T18-D32 PolarHBondContact O-N 3.13Å; T18-H129 PolarHBondContact OG1-ND1 3.49Å; T18-H129 VanDerWaalsContact OG1-ND1 3.15Å
19V82Confident77.6Confident0 Ų061.1 Ų61.10%031%0.305CS..EExtended strand (participates in β ladder)trans-67.8110.5174.7179.80000108.5V4 L6 G7 C8 V10 Y21 I29 G30V4-V19 HydrophobicContact CG1-CG1 3.97Å; L6-V19 HydrophobicContact CD2-CG1 4.35Å; G7-V19 WeakPolarHBondContact CA-O 3.3Å; G7-V19 PolarHBondContact N-O 3.05Å; C8-V19 PolarHBondContact O-N 2.96Å; V10-V19 HydrophobicContact CG1-CG2 3.58Å; V10-V19 HydrophobicContact CG2-CG2 4.1Å; V19-Y21 WeakPolarHBondContact CG1-O 3.3Å; V19-I29 HydrophobicContact CG1-CB 4.16Å; V19-I29 HydrophobicContact CG1-CG2 4.15Å; V19-I29 HydrophobicContact CG2-CD1 4.15Å; V19-G30 CarbonylContact C-O 3.57Å; V19-G30 WeakPolarHBondContact CA-O 3.29Å
20K84.4Confident78.7Confident89 Ų8960.2 Ų60.239%0.38730%0.301SS..EExtended strand (participates in β ladder)trans-100.9-15.7177.8-68.2-63.8-170.4175.20113.2T18 G30 D32 F51T18-K20 PolarHBondContact O-N 3.27Å; T18-K20 VanDerWaalsContact O-N 3.11Å; K20-G30 PolarHBondContact N-O 2.88Å; K20-D32 HydrophobicContact CD-CB 4.47Å; K20-D32 HydrophobicContact CG-CB 3.55Å; K20-F51 HydrophobicContact CB-CB 3.69Å; K20-F51 HydrophobicContact CB-CD2 3.4Å; K20-F51 VanDerWaalsContact CB-CD2 3.4Å; K20-F51 HydrophobicContact CB-CE2 4.16Å; K20-F51 HydrophobicContact CB-CG 3.72Å; K20-F51 HydrophobicContact CG-CD2 3.98Å
21Y87.9Confident79.4Confident49 Ų4960 Ų6019%0.19230%0.3CS..EExtended strand (participates in β ladder)trans-145.7143.1179.6175.2-102.1000110V19 G23 I29 G30 Y50 F51 F61V19-Y21 WeakPolarHBondContact CG1-O 3.3Å; Y21-G23 WeakPolarHBondContact OH-CA 3.45Å; Y21-I29 CarbonylContact O-C 3.49Å; Y21-I29 WeakPolarHBondContact O-CA 3.48Å; Y21-G30 PolarHBondContact N-O 3.25Å; Y21-G30 PolarHBondContact O-N 2.91Å; Y21-Y50 HydrophobicContact CE1-CD1 4.03Å; Y21-Y50 AromaticContact CE2-CD1 3.84Å; Y21-Y50 HydrophobicContact CE2-CD1 3.84Å; Y21-Y50 AromaticContact CZ-CD1 3.54Å; Y21-F51 HydrophobicContact CG-CD1 4.45Å; Y21-F61 HydrophobicContact CD1-CD1 4.4Å; Y21-F61 AromaticContact CD1-CE1 3.89Å; Y21-F61 HydrophobicContact CD1-CE1 3.89Å; Y21-F61 HydrophobicContact CE1-CE1 4.21Å
22H85.7Confident80Confident94 Ų9457.9 Ų57.944%0.43529%0.291SS..EExtended strand (participates in β ladder)trans-136.5105171.1170.1-121.5000105.9V4 L6V4-H22 HydrophobicContact CG1-CB 4.14Å; L6-H22 HydrophobicContact CD2-CB 3.82Å; L6-H22 HydrophobicContact CG-CB 4.27Å
23G76.3Confident80.2Confident3 Ų354.5 Ų54.53%0.03128%0.278CS..  trans-99.9140.5-17100000113.4Y21 V25 W28Y21-G23 WeakPolarHBondContact OH-CA 3.45Å; G23-V25 PolarHBondContact O-N 3.3Å; G23-W28 PolarHBondContact N-O 3.32Å
24A68.9Low79.8Confident103 Ų10346.4 Ų46.485%0.85125%0.25SC*.SBendtrans-63.2-31.9166.700000111.9G26A24-G26 PolarHBondContact O-N 3.24Å
25V57.5Low80Confident113 Ų11345.7 Ų45.769%0.68524%0.242SC*.SBendtrans-76.5109.7-178.9-173.50000109.9G23 K27G23-V25 PolarHBondContact O-N 3.3Å; V25-K27 VanDerWaalsContact C-N 3.25Å; V25-K27 PolarHBondContact O-N 3.2Å
26G60.6Low80.3Confident53 Ų5347.9 Ų47.955%0.54626%0.256SS..THydrogen-bonded Turntrans72.37.1174.700000116.1A24 W28A24-G26 PolarHBondContact O-N 3.24Å; G26-W28 VanDerWaalsContact C-N 3.3Å; G26-W28 PolarHBondContact O-N 3.14Å
27K79.4Confident80.8Confident147 Ų14750.3 Ų50.364%0.63927%0.274SS*.THydrogen-bonded Turntrans52.745.4-176.7-59.9179.6179.1177.50112V25 P64V25-K27 VanDerWaalsContact C-N 3.25Å; V25-K27 PolarHBondContact O-N 3.2Å; K27-P64 WeakPolarHBondContact O-CD 3.17Å; K27-P64 WeakPolarHBondContact O-CG 3.36Å
28W89.3Confident81.5Confident100 Ų10053.4 Ų53.438%0.37929%0.285SS..  trans-93.3147175.4-67.690.5000111.2G23 G26 F61 R63G23-W28 PolarHBondContact N-O 3.32Å; G26-W28 VanDerWaalsContact C-N 3.3Å; G26-W28 PolarHBondContact O-N 3.14Å; W28-F61 HydrophobicContact CB-CD1 4.34Å; W28-F61 HydrophobicContact CD2-CB 4.44Å; W28-F61 HydrophobicContact CE3-CB 3.87Å; W28-F61 HydrophobicContact CZ3-CB 4.5Å; W28-R63 HydrophobicContact CE3-CG 4.44Å; W28-R63 HydrophobicContact CH2-CG 4.32Å; W28-R63 HydrophobicContact CZ3-CG 4.23Å
29I91Very high82.2Confident0 Ų053.7 Ų53.70%029%0.29CS..EExtended strand (participates in β ladder)trans-104.6133.6164.552.2169.2000109.4V4 V19 Y21 I31 F61 M62 P64 V67V4-I29 HydrophobicContact CB-CG2 4.44Å; V4-I29 HydrophobicContact CG1-CG2 3.42Å; V4-I29 VanDerWaalsContact CG1-CG2 3.42Å; V4-I29 HydrophobicContact CG2-CG2 4.3Å; V19-I29 HydrophobicContact CG1-CB 4.16Å; V19-I29 HydrophobicContact CG1-CG2 4.15Å; V19-I29 HydrophobicContact CG2-CD1 4.15Å; Y21-I29 CarbonylContact O-C 3.49Å; Y21-I29 WeakPolarHBondContact O-CA 3.48Å; I29-I31 HydrophobicContact CD1-CD1 3.74Å; I29-I31 HydrophobicContact CD1-CG1 3.95Å; I29-I31 HydrophobicContact CG1-CD1 4.17Å; I29-I31 HydrophobicContact CG1-CG1 4.16Å; I29-F61 CarbonylContact O-C 3.59Å; I29-F61 VanDerWaalsContact O-CA 3.31Å; I29-F61 WeakPolarHBondContact O-CA 3.5Å; I29-M62 HydrophobicContact CG1-CB 4.21Å; I29-M62 WeakPolarHBondContact CG1-O 3.41Å; I29-M62 PolarHBondContact N-O 2.99Å; I29-M62 PolarHBondContact O-N 2.78Å; I29-P64 HydrophobicContact CG2-CG 4.04Å; I29-V67 HydrophobicContact CD1-CG1 4.46Å; I29-V67 HydrophobicContact CD1-CG2 3.65Å
30G92.3Very high82.8Confident0 Ų061.9 Ų61.90%033%0.325CS..EExtended strand (participates in β ladder)trans-87.2126.3166.200000108.8V19 K20 Y21 S60V19-G30 CarbonylContact C-O 3.57Å; V19-G30 WeakPolarHBondContact CA-O 3.29Å; K20-G30 PolarHBondContact N-O 2.88Å; Y21-G30 PolarHBondContact N-O 3.25Å; Y21-G30 PolarHBondContact O-N 2.91Å; G30-S60 WeakPolarHBondContact CA-O 3.45Å
31I90.3Very high83.2Confident0 Ų059.3 Ų59.30%031%0.314CS..EExtended strand (participates in β ladder)trans-117.7129.7-178.2-57.5169.4000108.1V10 T18 I29 W33 G59 S60 M62 V67V10-I31 HydrophobicContact CG2-CD1 3.74Å; V10-I31 HydrophobicContact CG2-CG1 3.94Å; V10-I31 HydrophobicContact CG2-CG2 3.79Å; T18-I31 CarbonylContact O-C 3.5Å; T18-I31 WeakPolarHBondContact O-CA 3.36Å; I29-I31 HydrophobicContact CD1-CD1 3.74Å; I29-I31 HydrophobicContact CD1-CG1 3.95Å; I29-I31 HydrophobicContact CG1-CD1 4.17Å; I29-I31 HydrophobicContact CG1-CG1 4.16Å; I31-W33 HydrophobicContact CB-CH2 4.47Å; I31-W33 HydrophobicContact CB-CZ2 4.01Å; I31-W33 HydrophobicContact CD1-CH2 3.76Å; I31-W33 HydrophobicContact CD1-CZ2 3.73Å; I31-W33 HydrophobicContact CG2-CD2 3.84Å; I31-W33 HydrophobicContact CG2-CE3 3.99Å; I31-W33 HydrophobicContact CG2-CG 4.47Å; I31-W33 HydrophobicContact CG2-CH2 3.88Å; I31-W33 HydrophobicContact CG2-CZ2 3.75Å; I31-W33 HydrophobicContact CG2-CZ3 4.01Å; I31-G59 CarbonylContact O-C 3.53Å; I31-G59 VanDerWaalsContact O-CA 3.28Å; I31-G59 WeakPolarHBondContact O-CA 3.43Å; I31-S60 PolarHBondContact N-O 3.05Å; I31-S60 PolarHBondContact O-N 3.48Å; I31-M62 HydrophobicContact CD1-CB 3.78Å; I31-M62 HydrophobicContact CD1-CG 3.8Å; I31-M62 HydrophobicContact CD1-SD 3.72Å; I31-V67 HydrophobicContact CD1-CG1 3.87Å
32D87.8Confident83.5Confident6 Ų659.9 Ų59.93%0.03232%0.321CS..EExtended strand (participates in β ladder)trans-99107.1167.1-174.820.2000108.8G17 T18 K20 F51 T53 W54 S58G17-D32 CarbonylContact C-O 3.48Å; G17-D32 VanDerWaalsContact CA-O 3.26Å; G17-D32 WeakPolarHBondContact CA-O 3.34Å; T18-D32 PolarHBondContact N-O 3.02Å; T18-D32 PolarHBondContact O-N 3.13Å; K20-D32 HydrophobicContact CD-CB 4.47Å; K20-D32 HydrophobicContact CG-CB 3.55Å; D32-F51 HydrophobicContact CB-CE2 4.47Å; D32-T53 HydrophobicContact CB-CG2 4.15Å; D32-T53 WeakPolarHBondContact OD1-CB 3.16Å; D32-T53 WeakPolarHBondContact OD2-CA 3.07Å; D32-W54 PolarHBondContact OD2-N 3.05Å; D32-W54 VanDerWaalsContact OD2-N 3.09Å; D32-S58 VanDerWaalsContact OD1-CB 3.28Å; D32-S58 WeakPolarHBondContact OD1-CB 3.44Å; D32-S58 PolarHBondContact OD1-OG 2.83Å
33W88.4Confident83.9Confident0 Ų055.4 Ų55.40%030%0.3CS..EExtended strand (participates in β ladder)trans-73.7148-175.8-60.4107.1000112.1Y12 A15 R16 I31 E35 R38 G39 W54 S58 S60 M62Y12-W33 HydrophobicContact CG-CH2 4.48Å; A15-W33 HydrophobicContact CB-CE3 3.97Å; A15-W33 HydrophobicContact CB-CZ3 4.18Å; R16-W33 VanDerWaalsContact C-CE3 3.49Å; I31-W33 HydrophobicContact CB-CH2 4.47Å; I31-W33 HydrophobicContact CB-CZ2 4.01Å; I31-W33 HydrophobicContact CD1-CH2 3.76Å; I31-W33 HydrophobicContact CD1-CZ2 3.73Å; I31-W33 HydrophobicContact CG2-CD2 3.84Å; I31-W33 HydrophobicContact CG2-CE3 3.99Å; I31-W33 HydrophobicContact CG2-CG 4.47Å; I31-W33 HydrophobicContact CG2-CH2 3.88Å; I31-W33 HydrophobicContact CG2-CZ2 3.75Å; I31-W33 HydrophobicContact CG2-CZ3 4.01Å; W33-E35 VanDerWaalsContact C-N 3.31Å; W33-R38 HydrophobicContact CB-CB 3.83Å; W33-R38 HydrophobicContact CB-CG 3.81Å; W33-R38 HydrophobicContact CD2-CB 4.46Å; W33-R38 HydrophobicContact CD2-CG 3.48Å; W33-R38 VanDerWaalsContact CD2-CG 3.48Å; W33-R38 HydrophobicContact CE3-CG 3.91Å; W33-R38 HydrophobicContact CG-CB 3.89Å; W33-R38 HydrophobicContact CG-CG 3.38Å; W33-G39 VanDerWaalsContact CD1-CA 3.45Å; W33-W54 PolarHBondContact O-NE1 3.13Å; W33-S58 WeakPolarHBondContact CB-O 3.41Å; W33-S58 PolarHBondContact N-O 3.03Å; W33-S60 VanDerWaalsContact NE1-CB 3.25Å; W33-S60 PolarHBondContact NE1-OG 3.15Å; W33-M62 HydrophobicContact CH2-SD 3.61Å; W33-M62 HydrophobicContact CZ2-CG 4.3Å; W33-M62 HydrophobicContact CZ2-SD 3.35Å; W33-M62 WeakPolarHBondContact CZ2-SD 3.21Å
34D75.4Confident84.7Confident30 Ų3057 Ų5716%0.1631%0.311CS..SBendtrans-69.3-31.7175.6-73.3-20.1000113.3R9 R16 W54 H129 R154R9-D34 IonicContact CZ-OD1 2.98Å; R9-D34 IonicContact CZ-OD2 2.85Å; R9-D34 IonicContact NH1-OD1 3.84Å; R9-D34 PolarHBondContact NH1-OD1 3.05Å; R9-D34 IonicContact NH1-OD2 3.62Å; R9-D34 PolarHBondContact NH1-OD2 3.08Å; R9-D34 IonicContact NH2-OD1 2.67Å; R9-D34 IonicContact NH2-OD2 3.64Å; R9-D34 PolarHBondContact NH2-OD2 3.39Å; R16-D34 WeakPolarHBondContact O-CB 3.44Å; R16-D34 PolarHBondContact O-N 2.92Å; D34-W54 WeakPolarHBondContact O-CZ2 3.43Å; D34-H129 IonicContact OD1-CD2 2.69Å; D34-H129 IonicContact OD1-CE1 2.67Å; D34-H129 IonicContact OD1-NE2 3.81Å; D34-H129 PolarHBondContact OD1-NE2 3.4Å; D34-R154 IonicContact OD1-CZ 3.13Å; D34-R154 IonicContact OD1-NH1 2.66Å; D34-R154 PolarHBondContact OD1-NH1 3.21Å; D34-R154 IonicContact OD1-NH2 2.8Å; D34-R154 PolarHBondContact OD1-NH2 3.34Å; D34-R154 IonicContact OD2-CZ 3.69Å; D34-R154 IonicContact OD2-NH1 3.69Å; D34-R154 IonicContact OD2-NH2 2.9Å; D34-R154 PolarHBondContact OD2-NH2 3.37Å
35E79.3Confident85.7Confident103 Ų10356.6 Ų56.648%0.48129%0.291SS..SBendtrans-94.1130.4179.7-67.2-180178.800109.5W33 D37 R38W33-E35 VanDerWaalsContact C-N 3.31Å; E35-D37 VanDerWaalsContact C-N 3.27Å; E35-D37 PolarHBondContact O-N 3.24Å; E35-R38 HydrophobicContact CB-CB 4Å; E35-R38 WeakPolarHBondContact O-CB 3.17Å; E35-R38 PolarHBondContact O-N 3.26Å
36V83.4Confident87.3Confident47 Ų4758.8 Ų58.829%0.28529%0.294SS..THydrogen-bonded Turntrans-64.3-33.1-170.974.20000112.9W54 S55 R57V36-W54 HydrophobicContact CB-CH2 3.75Å; V36-W54 HydrophobicContact CB-CZ2 4.03Å; V36-W54 HydrophobicContact CG2-CH2 3.89Å; V36-W54 HydrophobicContact CG2-CZ2 4.33Å; V36-W54 HydrophobicContact CG2-CZ3 4.4Å; V36-S55 WeakPolarHBondContact CG2-OG 3.46Å; V36-R57 CarbonylContact O-C 3.34Å; V36-R57 WeakPolarHBondContact O-CB 3.45Å; V36-R57 VanDerWaalsContact O-O 3.11Å
37D85.7Confident88.7Confident115 Ų11564.5 Ų64.562%0.61531%0.312SS*.THydrogen-bonded Turntrans-94.30.2-175.6-57.5-48.3000113E35 R57E35-D37 VanDerWaalsContact C-N 3.27Å; E35-D37 PolarHBondContact O-N 3.24Å; D37-R57 IonicContact OD1-CZ 3.9Å; D37-R57 IonicContact OD1-NE 2.71Å; D37-R57 IonicContact OD1-NH2 3.94Å; D37-R57 PolarHBondContact OD1-NH2 3.38Å
38R90.1Very high89.2Confident64 Ų6461 Ų6124%0.24230%0.302CS..THydrogen-bonded Turntrans-77.9-35179.9175.164.3-170.797.44.8112.6A15 W33 E35A15-R38 HydrophobicContact CB-CG 3.58Å; W33-R38 HydrophobicContact CB-CB 3.83Å; W33-R38 HydrophobicContact CB-CG 3.81Å; W33-R38 HydrophobicContact CD2-CB 4.46Å; W33-R38 HydrophobicContact CD2-CG 3.48Å; W33-R38 VanDerWaalsContact CD2-CG 3.48Å; W33-R38 HydrophobicContact CE3-CG 3.91Å; W33-R38 HydrophobicContact CG-CB 3.89Å; W33-R38 HydrophobicContact CG-CG 3.38Å; E35-R38 HydrophobicContact CB-CB 4Å; E35-R38 WeakPolarHBondContact O-CB 3.17Å; E35-R38 PolarHBondContact O-N 3.26Å
39G91.5Very high89.4Confident12 Ų1260.5 Ų60.512%0.12430%0.304CS..  trans-82.5-169.4-179.400000112.7W33 R57 G59 S60W33-G39 VanDerWaalsContact CD1-CA 3.45Å; G39-R57 CarbonylContact C-O 3.56Å; G39-R57 WeakPolarHBondContact CA-O 3.45Å; G39-R57 PolarHBondContact N-O 3.21Å; G39-G59 WeakPolarHBondContact CA-O 3.43Å; G39-S60 WeakPolarHBondContact CA-OG 3.34Å
40K93.3Very high89.4Confident171 Ų17164.2 Ų64.274%0.74332%0.319SS*.SBendtrans-131.7-25.6-176.5-61.7-176.3178.9-1760112.9R57 G59K40-R57 PolarHBondContact N-O 2.62Å; K40-G59 PolarHBondContact N-O 3.18Å
41H94Very high89.3Confident35 Ų3564.9 Ų64.916%0.16232%0.322CS..BIsolated β-bridgetrans-151.5177.7-169.453.469.7000112G43 F51 P56 G59 S60 F61H41-G43 VanDerWaalsContact C-N 3.3Å; H41-G43 VanDerWaalsContact ND1-CA 3.33Å; H41-G43 WeakPolarHBondContact ND1-CA 3.27Å; H41-G43 PolarHBondContact ND1-N 3.06Å; H41-F51 AromaticContact CE1-CZ 3.86Å; H41-P56 CarbonylContact C-O 3.41Å; H41-P56 WeakPolarHBondContact CA-O 3.46Å; H41-G59 VanDerWaalsContact CE1-C 3.43Å; H41-G59 PolarHBondContact CE1-O 2.92Å; H41-G59 PolarHBondContact N-O 3.21Å; H41-G59 PolarHBondContact ND1-O 3.13Å; H41-G59 WeakPolarHBondContact O-CA 3.4Å; H41-G59 PolarHBondContact O-N 3.44Å; H41-S60 WeakPolarHBondContact NE2-CA 3.42Å; H41-F61 AromaticContact CE1-CD2 3.51Å; H41-F61 AromaticContact CE1-CE2 3.41Å; H41-F61 VanDerWaalsContact CE1-CE2 3.41Å; H41-F61 WeakPolarHBondContact CE1-CE2 3.42Å; H41-F61 AromaticContact NE2-CD2 3.23Å; H41-F61 WeakPolarHBondContact NE2-CD2 3.31Å; H41-F61 AromaticContact NE2-CE2 3.54Å; H41-F61 PolarHBondContact NE2-N 3.48Å
42D94.3Very high89.1Confident61 Ų6173.1 Ų73.133%0.32636%0.358SS..SBendtrans-87.40.1178.564.6-6.1000113.8S44 Q49 T53 P56D42-S44 VanDerWaalsContact OD1-CB 3.3Å; D42-S44 WeakPolarHBondContact OD1-CB 3.08Å; D42-S44 PolarHBondContact OD1-N 3.16Å; D42-S44 PolarHBondContact OD1-OG 2.87Å; D42-Q49 PolarHBondContact O-NE2 3.44Å; D42-T53 VanDerWaalsContact C-CG2 3.5Å; D42-T53 VanDerWaalsContact CA-OG1 3.24Å; D42-T53 WeakPolarHBondContact CA-OG1 3.28Å; D42-T53 WeakPolarHBondContact O-CG2 3.48Å; D42-T53 PolarHBondContact O-N 3.45Å; D42-T53 PolarHBondContact O-OG1 3.43Å; D42-T53 VanDerWaalsContact O-OG1 3.07Å; D42-P56 PolarHBondContact N-O 3.44Å; D42-P56 VanDerWaalsContact N-O 3.09Å
43G93.2Very high89Confident0 Ų074.1 Ų74.10%036%0.364CS..SBendtrans108.25.1-177.300000113.4H41 Y50 F51H41-G43 VanDerWaalsContact C-N 3.3Å; H41-G43 VanDerWaalsContact ND1-CA 3.33Å; H41-G43 WeakPolarHBondContact ND1-CA 3.27Å; H41-G43 PolarHBondContact ND1-N 3.06Å; G43-Y50 PolarHBondContact O-N 3.44Å; G43-F51 CarbonylContact C-O 3.58Å; G43-F51 VanDerWaalsContact CA-O 3.29Å; G43-F51 WeakPolarHBondContact CA-O 3.44Å; G43-F51 PolarHBondContact O-N 3.1Å
44S93.6Very high88.6Confident36 Ų3678.5 Ų78.525%0.25238%0.381SS..EExtended strand (participates in β ladder)trans-84.6151.2167.760.70000113.8D42 V48D42-S44 VanDerWaalsContact OD1-CB 3.3Å; D42-S44 WeakPolarHBondContact OD1-CB 3.08Å; D42-S44 PolarHBondContact OD1-N 3.16Å; D42-S44 PolarHBondContact OD1-OG 2.87Å; S44-V48 CarbonylContact C-O 3.51Å; S44-V48 WeakPolarHBondContact CA-O 3.17Å
45H90.5Very high89.1Confident96 Ų9677.8 Ų77.844%0.44438%0.378SS..EExtended strand (participates in β ladder)trans-146.3133165-175.569.8000109.1N47 V48 Y50 F61H45-N47 PolarHBondContact O-N 2.95Å; H45-V48 PolarHBondContact N-O 3.14Å; H45-V48 PolarHBondContact O-N 3.37Å; H45-Y50 HydrophobicContact CB-CD2 4.17Å; H45-Y50 HydrophobicContact CB-CE2 3.83Å; H45-F61 HydrophobicContact CB-CD2 4.41Å; H45-F61 HydrophobicContact CB-CE2 3.72Å; H45-F61 HydrophobicContact CB-CZ 4.23Å
46Q90.1Very high89.7Confident158 Ų15877.5 Ų77.574%0.73839%0.385SS*.THydrogen-bonded Turntrans48.950.3-178.9-64.6-179.1-1500113.9V48Q46-V48 PolarHBondContact O-N 3.48Å; Q46-V48 VanDerWaalsContact O-N 3.15Å
47N89.1Confident90.1Very high174 Ų17482 Ų8293%0.9340%0.397SS*.THydrogen-bonded Turntrans63.410.7-178.7-56.4-32.1000115.7H45H45-N47 PolarHBondContact O-N 2.95Å
48V91.2Very high90.4Very high72 Ų7276.6 Ų76.644%0.43637%0.368SS..EExtended strand (participates in β ladder)trans-110.4126.7174.6-178.60000109.6S44 H45 Q46 Y50S44-V48 CarbonylContact C-O 3.51Å; S44-V48 WeakPolarHBondContact CA-O 3.17Å; H45-V48 PolarHBondContact N-O 3.14Å; H45-V48 PolarHBondContact O-N 3.37Å; Q46-V48 PolarHBondContact O-N 3.48Å; Q46-V48 VanDerWaalsContact O-N 3.15Å; V48-Y50 HydrophobicContact CB-CD2 4.43Å; V48-Y50 HydrophobicContact CB-CE2 3.81Å; V48-Y50 HydrophobicContact CG1-CD2 4.29Å; V48-Y50 HydrophobicContact CG1-CE1 4.29Å; V48-Y50 HydrophobicContact CG1-CE2 3.91Å; V48-Y50 WeakPolarHBondContact O-CD2 3.3Å
49Q92.8Very high90.6Very high90 Ų9073.5 Ų73.542%0.42136%0.357SS..EExtended strand (participates in β ladder)trans-84111.5173.3-16676.625.600110.3D42 F51D42-Q49 PolarHBondContact O-NE2 3.44Å; Q49-F51 PolarHBondContact NE2-O 2.79Å
50Y91.8Very high90.8Very high79 Ų7973.3 Ų73.331%0.3135%0.353SS..  trans-91.7-32.1179.7-67.9-89.4000113.1Y21 G43 H45 V48 F61Y21-Y50 HydrophobicContact CE1-CD1 4.03Å; Y21-Y50 AromaticContact CE2-CD1 3.84Å; Y21-Y50 HydrophobicContact CE2-CD1 3.84Å; Y21-Y50 AromaticContact CZ-CD1 3.54Å; G43-Y50 PolarHBondContact O-N 3.44Å; H45-Y50 HydrophobicContact CB-CD2 4.17Å; H45-Y50 HydrophobicContact CB-CE2 3.83Å; V48-Y50 HydrophobicContact CB-CD2 4.43Å; V48-Y50 HydrophobicContact CB-CE2 3.81Å; V48-Y50 HydrophobicContact CG1-CD2 4.29Å; V48-Y50 HydrophobicContact CG1-CE1 4.29Å; V48-Y50 HydrophobicContact CG1-CE2 3.91Å; V48-Y50 WeakPolarHBondContact O-CD2 3.3Å; Y50-F61 HydrophobicContact CD2-CE1 4.25Å; Y50-F61 HydrophobicContact CD2-CE2 4.47Å; Y50-F61 AromaticContact CD2-CZ 3.58Å; Y50-F61 HydrophobicContact CD2-CZ 3.58Å; Y50-F61 HydrophobicContact CE2-CZ 4.41Å; Y50-F61 HydrophobicContact CG-CE1 4.11Å; Y50-F61 AromaticContact CG-CZ 3.83Å; Y50-F61 HydrophobicContact CG-CZ 3.83Å
51F89.9Confident90.8Very high13 Ų1367.1 Ų67.16%0.05733%0.326CS..  trans-153.7161.5175.159-77.7000110K20 Y21 D32 H41 G43 Q49 T53 F61K20-F51 HydrophobicContact CB-CB 3.69Å; K20-F51 HydrophobicContact CB-CD2 3.4Å; K20-F51 VanDerWaalsContact CB-CD2 3.4Å; K20-F51 HydrophobicContact CB-CE2 4.16Å; K20-F51 HydrophobicContact CB-CG 3.72Å; K20-F51 HydrophobicContact CG-CD2 3.98Å; Y21-F51 HydrophobicContact CG-CD1 4.45Å; D32-F51 HydrophobicContact CB-CE2 4.47Å; H41-F51 AromaticContact CE1-CZ 3.86Å; G43-F51 CarbonylContact C-O 3.58Å; G43-F51 VanDerWaalsContact CA-O 3.29Å; G43-F51 WeakPolarHBondContact CA-O 3.44Å; G43-F51 PolarHBondContact O-N 3.1Å; Q49-F51 PolarHBondContact NE2-O 2.79Å; F51-T53 HydrophobicContact CD2-CG2 3.94Å; F51-T53 HydrophobicContact CE2-CG2 3.54Å; F51-F61 HydrophobicContact CD1-CE1 4.25Å; F51-F61 HydrophobicContact CD1-CZ 4.18Å; F51-F61 HydrophobicContact CE1-CD1 4.32Å; F51-F61 AromaticContact CE1-CE1 3.73Å; F51-F61 HydrophobicContact CE1-CE1 3.73Å; F51-F61 HydrophobicContact CE1-CE2 4.11Å; F51-F61 AromaticContact CE1-CZ 3.62Å; F51-F61 HydrophobicContact CE1-CZ 3.62Å
52K86.7Confident90.8Very high174 Ų17466.4 Ų66.476%0.75732%0.323SS*.  trans-99.4139.4172.2-67.6-177.4178.7179.80110.3
53T84.9Confident90.5Very high27 Ų2771.3 Ų71.317%0.16634%0.337CS..  trans-104.2164.7174.459.40000111.3D32 D42 F51 S55 S58 G59D32-T53 HydrophobicContact CB-CG2 4.15Å; D32-T53 WeakPolarHBondContact OD1-CB 3.16Å; D32-T53 WeakPolarHBondContact OD2-CA 3.07Å; D42-T53 VanDerWaalsContact C-CG2 3.5Å; D42-T53 VanDerWaalsContact CA-OG1 3.24Å; D42-T53 WeakPolarHBondContact CA-OG1 3.28Å; D42-T53 WeakPolarHBondContact O-CG2 3.48Å; D42-T53 PolarHBondContact O-N 3.45Å; D42-T53 PolarHBondContact O-OG1 3.43Å; D42-T53 VanDerWaalsContact O-OG1 3.07Å; F51-T53 HydrophobicContact CD2-CG2 3.94Å; F51-T53 HydrophobicContact CE2-CG2 3.54Å; T53-S55 VanDerWaalsContact C-N 3.33Å; T53-S55 WeakPolarHBondContact CB-O 3.28Å; T53-S55 PolarHBondContact OG1-O 3.24Å; T53-S58 WeakPolarHBondContact CB-OG 3.29Å; T53-G59 VanDerWaalsContact CG2-CA 3.41Å
54W79.3Confident90.2Very high91 Ų9172 Ų7235%0.34534%0.342SS..SBendtrans-76.9-20.8174.272-95.1000113.8D32 W33 D34 V36 S58 R191D32-W54 PolarHBondContact OD2-N 3.05Å; D32-W54 VanDerWaalsContact OD2-N 3.09Å; W33-W54 PolarHBondContact O-NE1 3.13Å; D34-W54 WeakPolarHBondContact O-CZ2 3.43Å; V36-W54 HydrophobicContact CB-CH2 3.75Å; V36-W54 HydrophobicContact CB-CZ2 4.03Å; V36-W54 HydrophobicContact CG2-CH2 3.89Å; V36-W54 HydrophobicContact CG2-CZ2 4.33Å; V36-W54 HydrophobicContact CG2-CZ3 4.4Å; W54-S58 PolarHBondContact NE1-OG 3.44Å; W54-R191 VanDerWaalsContact CZ3-NH2 3.28Å
55S86.2Confident89.8Confident16 Ų1673.6 Ų73.611%0.11236%0.364CS..SBendtrans-136148.3176.4168.40000110.5V36 T53 R57 S58V36-S55 WeakPolarHBondContact CG2-OG 3.46Å; T53-S55 VanDerWaalsContact C-N 3.33Å; T53-S55 WeakPolarHBondContact CB-O 3.28Å; T53-S55 PolarHBondContact OG1-O 3.24Å; S55-R57 PolarHBondContact O-N 3.19Å; S55-R57 PolarHBondContact OG-N 3.26Å; S55-S58 PolarHBondContact N-OG 2.87Å; S55-S58 PolarHBondContact O-N 3.02Å; S55-S58 VanDerWaalsContact O-N 3.11Å; S55-S58 PolarHBondContact O-OG 3.49Å; S55-S58 VanDerWaalsContact O-OG 3.09Å
56P91.2Very high89.7Confident97 Ų9771.9 Ų71.963%0.6336%0.363SS*.THydrogen-bonded Turntrans-55.3-16.3177.3-26.434.9000115.8H41 D42H41-P56 CarbonylContact C-O 3.41Å; H41-P56 WeakPolarHBondContact CA-O 3.46Å; D42-P56 PolarHBondContact N-O 3.44Å; D42-P56 VanDerWaalsContact N-O 3.09Å
57R92.9Very high89.2Confident142 Ų14265 Ų6554%0.53633%0.331SS..THydrogen-bonded Turntrans-118.96.2-179.3-59.5-165.8-56.7-157.43.1114.4V36 D37 G39 K40 S55V36-R57 CarbonylContact O-C 3.34Å; V36-R57 WeakPolarHBondContact O-CB 3.45Å; V36-R57 VanDerWaalsContact O-O 3.11Å; D37-R57 IonicContact OD1-CZ 3.9Å; D37-R57 IonicContact OD1-NE 2.71Å; D37-R57 IonicContact OD1-NH2 3.94Å; D37-R57 PolarHBondContact OD1-NH2 3.38Å; G39-R57 CarbonylContact C-O 3.56Å; G39-R57 WeakPolarHBondContact CA-O 3.45Å; G39-R57 PolarHBondContact N-O 3.21Å; K40-R57 PolarHBondContact N-O 2.62Å; S55-R57 PolarHBondContact O-N 3.19Å; S55-R57 PolarHBondContact OG-N 3.26Å
58S92Very high88.6Confident0 Ų062.8 Ų62.80%032%0.315CS..  trans-89.2-5.9-175.661.20000114.5D32 W33 T53 W54 S55D32-S58 VanDerWaalsContact OD1-CB 3.28Å; D32-S58 WeakPolarHBondContact OD1-CB 3.44Å; D32-S58 PolarHBondContact OD1-OG 2.83Å; W33-S58 WeakPolarHBondContact CB-O 3.41Å; W33-S58 PolarHBondContact N-O 3.03Å; T53-S58 WeakPolarHBondContact CB-OG 3.29Å; W54-S58 PolarHBondContact NE1-OG 3.44Å; S55-S58 PolarHBondContact N-OG 2.87Å; S55-S58 PolarHBondContact O-N 3.02Å; S55-S58 VanDerWaalsContact O-N 3.11Å; S55-S58 PolarHBondContact O-OG 3.49Å; S55-S58 VanDerWaalsContact O-OG 3.09Å
59G94.4Very high87.7Confident0 Ų061.5 Ų61.50%030%0.303CS..EExtended strand (participates in β ladder)trans-89.9142-179.600000114.5I31 G39 K40 H41 T53I31-G59 CarbonylContact O-C 3.53Å; I31-G59 VanDerWaalsContact O-CA 3.28Å; I31-G59 WeakPolarHBondContact O-CA 3.43Å; G39-G59 WeakPolarHBondContact CA-O 3.43Å; K40-G59 PolarHBondContact N-O 3.18Å; H41-G59 VanDerWaalsContact CE1-C 3.43Å; H41-G59 PolarHBondContact CE1-O 2.92Å; H41-G59 PolarHBondContact N-O 3.21Å; H41-G59 PolarHBondContact ND1-O 3.13Å; H41-G59 WeakPolarHBondContact O-CA 3.4Å; H41-G59 PolarHBondContact O-N 3.44Å; T53-G59 VanDerWaalsContact CG2-CA 3.41Å
60S95.2Very high86.1Confident7 Ų758.3 Ų58.35%0.04929%0.294CS..EExtended strand (participates in β ladder)trans-140.8151.5164.8-61.70000111.6G30 I31 W33 G39 H41G30-S60 WeakPolarHBondContact CA-O 3.45Å; I31-S60 PolarHBondContact N-O 3.05Å; I31-S60 PolarHBondContact O-N 3.48Å; W33-S60 VanDerWaalsContact NE1-CB 3.25Å; W33-S60 PolarHBondContact NE1-OG 3.15Å; G39-S60 WeakPolarHBondContact CA-OG 3.34Å; H41-S60 WeakPolarHBondContact NE2-CA 3.42Å
61F94Very high84.6Confident42 Ų4255 Ų5518%0.18428%0.283CS..EExtended strand (participates in β ladder)trans-91.1133.6160.5-65.2-86000110.8Y21 W28 I29 H41 H45 Y50 F51Y21-F61 HydrophobicContact CD1-CD1 4.4Å; Y21-F61 AromaticContact CD1-CE1 3.89Å; Y21-F61 HydrophobicContact CD1-CE1 3.89Å; Y21-F61 HydrophobicContact CE1-CE1 4.21Å; W28-F61 HydrophobicContact CB-CD1 4.34Å; W28-F61 HydrophobicContact CD2-CB 4.44Å; W28-F61 HydrophobicContact CE3-CB 3.87Å; W28-F61 HydrophobicContact CZ3-CB 4.5Å; I29-F61 CarbonylContact O-C 3.59Å; I29-F61 VanDerWaalsContact O-CA 3.31Å; I29-F61 WeakPolarHBondContact O-CA 3.5Å; H41-F61 AromaticContact CE1-CD2 3.51Å; H41-F61 AromaticContact CE1-CE2 3.41Å; H41-F61 VanDerWaalsContact CE1-CE2 3.41Å; H41-F61 WeakPolarHBondContact CE1-CE2 3.42Å; H41-F61 AromaticContact NE2-CD2 3.23Å; H41-F61 WeakPolarHBondContact NE2-CD2 3.31Å; H41-F61 AromaticContact NE2-CE2 3.54Å; H41-F61 PolarHBondContact NE2-N 3.48Å; H45-F61 HydrophobicContact CB-CD2 4.41Å; H45-F61 HydrophobicContact CB-CE2 3.72Å; H45-F61 HydrophobicContact CB-CZ 4.23Å; Y50-F61 HydrophobicContact CD2-CE1 4.25Å; Y50-F61 HydrophobicContact CD2-CE2 4.47Å; Y50-F61 AromaticContact CD2-CZ 3.58Å; Y50-F61 HydrophobicContact CD2-CZ 3.58Å; Y50-F61 HydrophobicContact CE2-CZ 4.41Å; Y50-F61 HydrophobicContact CG-CE1 4.11Å; Y50-F61 AromaticContact CG-CZ 3.83Å; Y50-F61 HydrophobicContact CG-CZ 3.83Å; F51-F61 HydrophobicContact CD1-CE1 4.25Å; F51-F61 HydrophobicContact CD1-CZ 4.18Å; F51-F61 HydrophobicContact CE1-CD1 4.32Å; F51-F61 AromaticContact CE1-CE1 3.73Å; F51-F61 HydrophobicContact CE1-CE1 3.73Å; F51-F61 HydrophobicContact CE1-CE2 4.11Å; F51-F61 AromaticContact CE1-CZ 3.62Å; F51-F61 HydrophobicContact CE1-CZ 3.62Å
62M92.5Very high83.3Confident20 Ų2054.9 Ų54.910%0.09928%0.283CS..EExtended strand (participates in β ladder)trans-135.6160.6176-65.5-162.367.700112.4Y12 I29 I31 W33 V67Y12-M62 HydrophobicContact CD1-CE 3.89Å; Y12-M62 HydrophobicContact CD1-SD 4.36Å; Y12-M62 HydrophobicContact CD2-CE 3.41Å; Y12-M62 VanDerWaalsContact CD2-CE 3.41Å; Y12-M62 HydrophobicContact CD2-SD 4.41Å; Y12-M62 HydrophobicContact CE1-CE 3.86Å; Y12-M62 HydrophobicContact CE2-CE 3.46Å; Y12-M62 VanDerWaalsContact CE2-CE 3.46Å; Y12-M62 HydrophobicContact CG-CE 3.61Å; Y12-M62 HydrophobicContact CG-SD 4.12Å; I29-M62 HydrophobicContact CG1-CB 4.21Å; I29-M62 WeakPolarHBondContact CG1-O 3.41Å; I29-M62 PolarHBondContact N-O 2.99Å; I29-M62 PolarHBondContact O-N 2.78Å; I31-M62 HydrophobicContact CD1-CB 3.78Å; I31-M62 HydrophobicContact CD1-CG 3.8Å; I31-M62 HydrophobicContact CD1-SD 3.72Å; W33-M62 HydrophobicContact CH2-SD 3.61Å; W33-M62 HydrophobicContact CZ2-CG 4.3Å; W33-M62 HydrophobicContact CZ2-SD 3.35Å; W33-M62 WeakPolarHBondContact CZ2-SD 3.21Å; M62-V67 HydrophobicContact CB-CG1 4.39Å; M62-V67 HydrophobicContact CE-CG1 3.85Å; M62-V67 HydrophobicContact SD-CG1 3.79Å
63R89.7Confident82.2Confident164 Ų16447 Ų4762%0.61925%0.249SC*.  trans-77.1138.3169.8-68.4-175175.5-165.6-0.5109.8W28 G65 S66W28-R63 HydrophobicContact CE3-CG 4.44Å; W28-R63 HydrophobicContact CH2-CG 4.32Å; W28-R63 HydrophobicContact CZ3-CG 4.23Å; R63-G65 VanDerWaalsContact C-N 3.26Å; R63-G65 PolarHBondContact O-N 3.25Å; R63-S66 WeakPolarHBondContact O-CB 3.48Å; R63-S66 PolarHBondContact O-N 2.77Å
64P86.4Confident81.2Confident14 Ų1446.3 Ų46.39%0.09124%0.244CC..G310 helixtrans-50.4-41.6178.8-3131.9000114.4V4 K27 I29 S66 Y69V4-P64 HydrophobicContact CG2-CB 3.82Å; V4-P64 HydrophobicContact CG2-CG 4.12Å; K27-P64 WeakPolarHBondContact O-CD 3.17Å; K27-P64 WeakPolarHBondContact O-CG 3.36Å; I29-P64 HydrophobicContact CG2-CG 4.04Å; P64-S66 PolarHBondContact O-N 3.14Å; P64-Y69 WeakPolarHBondContact CA-OH 3.31Å; P64-Y69 VanDerWaalsContact CB-OH 3.3Å; P64-Y69 WeakPolarHBondContact CB-OH 3.28Å; P64-Y69 WeakPolarHBondContact O-CE2 3.24Å; P64-Y69 PolarHBondContact O-OH 3.39Å
65G84.9Confident80.5Confident70 Ų7045.2 Ų45.272%0.72224%0.243SC*.G310 helixtrans-75.9-7-178.500000114.8R63R63-G65 VanDerWaalsContact C-N 3.26Å; R63-G65 PolarHBondContact O-N 3.25Å
66S87.5Confident79.4Confident60 Ų6044.6 Ų44.642%0.4224%0.239SC..G310 helixtrans-84.3-15.8179.6-60.20000112.9Y12 R63 P64Y12-S66 WeakPolarHBondContact CD2-O 3.33Å; Y12-S66 VanDerWaalsContact CE2-O 3.28Å; Y12-S66 WeakPolarHBondContact CE2-O 3.41Å; R63-S66 WeakPolarHBondContact O-CB 3.48Å; R63-S66 PolarHBondContact O-N 2.77Å; P64-S66 PolarHBondContact O-N 3.14Å
67V81.1Confident78.2Confident12 Ų1240.2 Ų40.27%0.07321%0.21CC..SBendtrans-114.7153.3-173.2-55.90000111.8V10 Y12 I29 I31 M62 Y69V10-V67 HydrophobicContact CB-CB 3.94Å; V10-V67 HydrophobicContact CB-CG2 3.77Å; V10-V67 HydrophobicContact CG1-CB 4.29Å; V10-V67 HydrophobicContact CG1-CG2 3.56Å; V10-V67 HydrophobicContact CG2-CG2 4.49Å; Y12-V67 HydrophobicContact CD2-CG1 4.17Å; Y12-V67 HydrophobicContact CG-CG1 4.49Å; I29-V67 HydrophobicContact CD1-CG1 4.46Å; I29-V67 HydrophobicContact CD1-CG2 3.65Å; I31-V67 HydrophobicContact CD1-CG1 3.87Å; M62-V67 HydrophobicContact CB-CG1 4.39Å; M62-V67 HydrophobicContact CE-CG1 3.85Å; M62-V67 HydrophobicContact SD-CG1 3.79Å; V67-Y69 HydrophobicContact CG2-CE1 4.42Å; V67-Y69 HydrophobicContact CG2-CE2 3.9Å
68Q75.2Confident76.9Confident128 Ų12838.7 Ų38.760%0.59821%0.209SC*.EExtended strand (participates in β ladder)trans-89.8122.3172.4-63.2173.46.400108.8V10 K11V10-Q68 CarbonylContact C-O 2.96Å; V10-Q68 WeakPolarHBondContact CA-O 3.41Å; K11-Q68 HydrophobicContact CB-CB 4.28Å; K11-Q68 PolarHBondContact N-O 2.98Å; K11-Q68 PolarHBondContact O-N 3.41Å
69Y72Confident75.6Confident46 Ų4641.2 Ų41.218%0.1823%0.227CC..EExtended strand (participates in β ladder)trans-81.7146.1175.9-63.4-95.5000110.3P2 V4 C8 R9 V10 P64 V67P2-Y69 HydrophobicContact CG-CD2 3.88Å; P2-Y69 HydrophobicContact CG-CE2 4.01Å; V4-Y69 HydrophobicContact CB-CE1 4.5Å; V4-Y69 HydrophobicContact CG1-CE1 4.29Å; V4-Y69 HydrophobicContact CG2-CE1 4.18Å; V4-Y69 WeakPolarHBondContact CG2-OH 3.42Å; C8-Y69 VanDerWaalsContact SG-CD1 3.58Å; R9-Y69 CarbonylContact O-C 3.5Å; R9-Y69 WeakPolarHBondContact O-CA 3.35Å; V10-Y69 HydrophobicContact CG1-CD1 3.76Å; V10-Y69 HydrophobicContact CG1-CE1 3.82Å; V10-Y69 HydrophobicContact CG1-CG 4.33Å; P64-Y69 WeakPolarHBondContact CA-OH 3.31Å; P64-Y69 VanDerWaalsContact CB-OH 3.3Å; P64-Y69 WeakPolarHBondContact CB-OH 3.28Å; P64-Y69 WeakPolarHBondContact O-CE2 3.24Å; P64-Y69 PolarHBondContact O-OH 3.39Å; V67-Y69 HydrophobicContact CG2-CE1 4.42Å; V67-Y69 HydrophobicContact CG2-CE2 3.9Å
70G60.4Low74Confident22 Ų2248.9 Ų48.923%0.22726%0.256CS..PPolyproline II helixtrans-63.2156.5168.500000111.6R9R9-G70 PolarHBondContact O-N 3.29Å
71C59.5Low72Confident11 Ų1153 Ų537%0.07427%0.274CS..BIsolated β-bridgetrans-120.3164.8178.559.30000110.1E75 A76 Q81 A98 S99C71-E75 VanDerWaalsContact CA-OE2 3.29Å; C71-E75 WeakPolarHBondContact CA-OE2 3.14Å; C71-E75 HydrophobicContact CB-CB 3.65Å; C71-E75 WeakPolarHBondContact CB-OE2 3.39Å; C71-A76 WeakPolarHBondContact SG-CA 3.38Å; C71-A76 VanDerWaalsContact SG-CB 3.5Å; C71-A76 PolarHBondContact SG-N 2.86Å; C71-Q81 PolarHBondContact SG-OE1 3.27Å; C71-Q81 VanDerWaalsContact SG-OE1 3.4Å; C71-A98 CarbonylContact O-C 3.46Å; C71-A98 VanDerWaalsContact O-C 3.26Å; C71-A98 WeakPolarHBondContact O-CA 3.39Å; C71-S99 PolarHBondContact O-N 3.45Å
72S62.4Low70.1Confident9 Ų952 Ų526%0.06327%0.269CS..  trans-59.4163176.4800000111.4F74 E75 A76 S99S72-F74 PolarHBondContact O-N 2.87Å; S72-F74 PolarHBondContact OG-N 2.9Å; S72-E75 PolarHBondContact N-OE2 3.4Å; S72-E75 PolarHBondContact O-N 2.85Å; S72-E75 WeakPolarHBondContact OG-CB 3.25Å; S72-E75 VanDerWaalsContact OG-CG 3.32Å; S72-E75 WeakPolarHBondContact OG-CG 3.16Å; S72-E75 PolarHBondContact OG-N 3.38Å; S72-A76 WeakPolarHBondContact O-CB 3.24Å; S72-A76 PolarHBondContact O-N 3.23Å; S72-S99 WeakPolarHBondContact CA-O 3.45Å
73L65.2Low67.9Low10 Ų1054.8 Ų54.85%0.05228%0.284CS..Hα-helixtrans-55.6-43174.417668.6000110.9A76 V77 I96 A98 F119 L125 M141 M145L73-A76 PolarHBondContact O-N 3.48Å; L73-V77 HydrophobicContact CD1-CG2 4.42Å; L73-V77 VanDerWaalsContact O-CG2 3.27Å; L73-V77 WeakPolarHBondContact O-CG2 3.33Å; L73-V77 PolarHBondContact O-N 2.85Å; L73-I96 HydrophobicContact CD1-CD1 4.4Å; L73-I96 HydrophobicContact CD1-CG2 3.92Å; L73-A98 HydrophobicContact CB-CB 4.17Å; L73-F119 HydrophobicContact CD1-CE1 4.25Å; L73-F119 HydrophobicContact CD2-CE1 3.72Å; L73-F119 HydrophobicContact CD2-CZ 4.24Å; L73-F119 HydrophobicContact CG-CE1 3.95Å; L73-F119 HydrophobicContact CG-CZ 4.43Å; L73-L125 HydrophobicContact CD1-CD1 4.42Å; L73-M141 HydrophobicContact CB-CE 3.74Å; L73-M141 HydrophobicContact CD1-CE 4.29Å; L73-M141 HydrophobicContact CD2-CB 3.99Å; L73-M141 HydrophobicContact CD2-CE 3.31Å; L73-M141 HydrophobicContact CD2-CG 3.71Å; L73-M141 HydrophobicContact CD2-SD 4.26Å; L73-M141 HydrophobicContact CG-CE 3.95Å; L73-M145 HydrophobicContact CD2-CE 4.42Å
74F64.2Low65.9Low12 Ų1255.6 Ų55.65%0.05329%0.293CS..Hα-helixtrans-64.5-48.1176.9-65.5-81000111.6S72 A76 V77 E78 A103 I105 H108 F119S72-F74 PolarHBondContact O-N 2.87Å; S72-F74 PolarHBondContact OG-N 2.9Å; F74-A76 PolarHBondContact O-N 3.16Å; F74-V77 PolarHBondContact O-N 2.96Å; F74-V77 VanDerWaalsContact O-N 3.17Å; F74-E78 WeakPolarHBondContact O-CB 3.41Å; F74-E78 WeakPolarHBondContact O-CG 3.36Å; F74-E78 PolarHBondContact O-N 2.74Å; F74-A103 HydrophobicContact CD2-CB 3.71Å; F74-A103 HydrophobicContact CE2-CB 4.19Å; F74-I105 HydrophobicContact CE2-CG1 4.03Å; F74-I105 HydrophobicContact CZ-CB 4.35Å; F74-I105 HydrophobicContact CZ-CG1 4.06Å; F74-I105 HydrophobicContact CZ-CG2 4.43Å; F74-H108 HydrophobicContact CD1-CB 3.77Å; F74-H108 AromaticContact CD1-CG 3.89Å; F74-H108 HydrophobicContact CE1-CB 3.4Å; F74-H108 AromaticContact CE1-CG 4Å; F74-H108 HydrophobicContact CG-CB 4.48Å; F74-H108 AromaticContact CG-CD2 3.98Å; F74-H108 HydrophobicContact CZ-CB 3.82Å; F74-F119 HydrophobicContact CE1-CZ 4.45Å
75E64.7Low63.9Low67 Ų6758.6 Ų58.631%0.31331%0.307SS..Hα-helixtrans-58.5-38.6175.7-73.5177.1157.100111C71 S72 S79 K101C71-E75 VanDerWaalsContact CA-OE2 3.29Å; C71-E75 WeakPolarHBondContact CA-OE2 3.14Å; C71-E75 HydrophobicContact CB-CB 3.65Å; C71-E75 WeakPolarHBondContact CB-OE2 3.39Å; S72-E75 PolarHBondContact N-OE2 3.4Å; S72-E75 PolarHBondContact O-N 2.85Å; S72-E75 WeakPolarHBondContact OG-CB 3.25Å; S72-E75 VanDerWaalsContact OG-CG 3.32Å; S72-E75 WeakPolarHBondContact OG-CG 3.16Å; S72-E75 PolarHBondContact OG-N 3.38Å; E75-S79 WeakPolarHBondContact O-CB 3.43Å; E75-S79 PolarHBondContact O-N 3.33Å; E75-S79 PolarHBondContact O-OG 2.7Å; E75-K101 VanDerWaalsContact CD-NZ 3.26Å; E75-K101 IonicContact OE1-NZ 3.03Å; E75-K101 PolarHBondContact OE1-NZ 2.76Å; E75-K101 IonicContact OE2-NZ 3.33Å; E75-K101 PolarHBondContact OE2-NZ 3.4Å
76A62.7Low61.9Low4 Ų457.1 Ų57.13%0.03328%0.283CS..Hα-helixtrans-68.7-39179.500000112.4C71 S72 L73 F74 I96C71-A76 WeakPolarHBondContact SG-CA 3.38Å; C71-A76 VanDerWaalsContact SG-CB 3.5Å; C71-A76 PolarHBondContact SG-N 2.86Å; S72-A76 WeakPolarHBondContact O-CB 3.24Å; S72-A76 PolarHBondContact O-N 3.23Å; L73-A76 PolarHBondContact O-N 3.48Å; F74-A76 PolarHBondContact O-N 3.16Å; A76-I96 HydrophobicContact CB-CG2 3.48Å; A76-I96 VanDerWaalsContact CB-CG2 3.48Å
77V65.2Low59.7Low4 Ų459.9 Ų59.92%0.02429%0.293CS..Hα-helixtrans-70.2-49.3176.3173.80000110.8L73 F74 R80 I96 L115 V118 F119L73-V77 HydrophobicContact CD1-CG2 4.42Å; L73-V77 VanDerWaalsContact O-CG2 3.27Å; L73-V77 WeakPolarHBondContact O-CG2 3.33Å; L73-V77 PolarHBondContact O-N 2.85Å; F74-V77 PolarHBondContact O-N 2.96Å; F74-V77 VanDerWaalsContact O-N 3.17Å; V77-R80 PolarHBondContact O-N 3.2Å; V77-I96 HydrophobicContact CG2-CD1 3.64Å; V77-L115 HydrophobicContact CB-CD2 4.35Å; V77-L115 HydrophobicContact CG1-CD2 3.36Å; V77-V118 HydrophobicContact CG1-CB 4.07Å; V77-V118 HydrophobicContact CG1-CG1 3.75Å; V77-V118 HydrophobicContact CG1-CG2 4.5Å; V77-F119 HydrophobicContact CG2-CE1 3.77Å; V77-F119 HydrophobicContact CG2-CZ 4.02Å
78E66.3Low58Low110 Ų11064.8 Ų64.851%0.51433%0.328SS..Hα-helixtrans-65.3-42.3-179.1-72.9-176.7163.100112.3F74 R80 L115F74-E78 WeakPolarHBondContact O-CB 3.41Å; F74-E78 WeakPolarHBondContact O-CG 3.36Å; F74-E78 PolarHBondContact O-N 2.74Å; E78-R80 PolarHBondContact O-N 3.37Å; E78-L115 HydrophobicContact CG-CD2 4.39Å
79S63.2Low56.6Low53 Ų5369.6 Ų69.637%0.37134%0.341SS..THydrogen-bonded Turntrans-74.1-4.3-17965.40000114.1E75 Q81E75-S79 WeakPolarHBondContact O-CB 3.43Å; E75-S79 PolarHBondContact O-N 3.33Å; E75-S79 PolarHBondContact O-OG 2.7Å; S79-Q81 PolarHBondContact O-N 2.8Å; S79-Q81 VanDerWaalsContact OG-CD 3.29Å; S79-Q81 WeakPolarHBondContact OG-CG 3.35Å; S79-Q81 PolarHBondContact OG-NE2 3.34Å
80R61.3Low55Low162 Ų16271.1 Ų71.161%0.61136%0.358SS*.THydrogen-bonded Turntrans47.432.1-173.1-60.1-170.8-178-169.8-0.3112.9V77 E78 Y82 D83V77-R80 PolarHBondContact O-N 3.2Å; E78-R80 PolarHBondContact O-N 3.37Å; R80-Y82 HydrophobicContact CB-CE1 4.4Å; R80-Y82 PolarHBondContact O-N 3.24Å; R80-D83 HydrophobicContact CB-CB 4.44Å; R80-D83 WeakPolarHBondContact CD-OD2 3.24Å; R80-D83 WeakPolarHBondContact O-CB 3.47Å; R80-D83 PolarHBondContact O-N 2.9Å
81Q53.9Low54.3Low94 Ų9480.1 Ų80.144%0.43939%0.394SS..THydrogen-bonded Turntrans-61.4-20-177.8-86.6174.527.100112.5C71 S79 K84C71-Q81 PolarHBondContact SG-OE1 3.27Å; C71-Q81 VanDerWaalsContact SG-OE1 3.4Å; S79-Q81 PolarHBondContact O-N 2.8Å; S79-Q81 VanDerWaalsContact OG-CD 3.29Å; S79-Q81 WeakPolarHBondContact OG-CG 3.35Å; S79-Q81 PolarHBondContact OG-NE2 3.34Å; Q81-K84 PolarHBondContact O-N 3.31Å
82Y54Low53.6Low20 Ų2081 Ų818%0.07840%0.404CS..THydrogen-bonded Turntrans-68.5-31.7172.456.9-94000113.7R80 K84 L85 N86 I94 I96 V118R80-Y82 HydrophobicContact CB-CE1 4.4Å; R80-Y82 PolarHBondContact O-N 3.24Å; Y82-K84 PolarHBondContact O-N 3.3Å; Y82-L85 PolarHBondContact O-N 3.18Å; Y82-L85 VanDerWaalsContact O-N 3.16Å; Y82-N86 PolarHBondContact O-N 3.49Å; Y82-I94 HydrophobicContact CD1-CG2 4.32Å; Y82-I94 HydrophobicContact CD2-CG1 4.46Å; Y82-I94 HydrophobicContact CD2-CG2 3.73Å; Y82-I94 HydrophobicContact CE2-CD1 4.49Å; Y82-I94 HydrophobicContact CE2-CG2 4.4Å; Y82-I94 HydrophobicContact CG-CG2 3.68Å; Y82-I96 HydrophobicContact CD1-CD1 4.45Å; Y82-I96 HydrophobicContact CD1-CG1 4.47Å; Y82-V118 HydrophobicContact CE1-CG1 4.42Å
83D47Very low52.9Low78 Ų7882.8 Ų82.842%0.41742%0.416SS..THydrogen-bonded Turntrans-66.8-26.9177.3-71.7-20000111.8R80 L85R80-D83 HydrophobicContact CB-CB 4.44Å; R80-D83 WeakPolarHBondContact CD-OD2 3.24Å; R80-D83 WeakPolarHBondContact O-CB 3.47Å; R80-D83 PolarHBondContact O-N 2.9Å; D83-L85 VanDerWaalsContact C-N 3.27Å; D83-L85 PolarHBondContact O-N 2.92Å
84K47.7Very low52.3Low182 Ų18283.7 Ų83.779%0.79142%0.421SS*.THydrogen-bonded Turntrans-76.1-14.7177.1-64.9-176.5-179177.80113.4Q81 Y82Q81-K84 PolarHBondContact O-N 3.31Å; Y82-K84 PolarHBondContact O-N 3.3Å
85L43.5Very low51.6Low76 Ų7689.6 Ų89.640%0.39844%0.443SS..THydrogen-bonded Turntrans-96.1-25.8178.1-66.7171.1000112.2Y82 D83 F97Y82-L85 PolarHBondContact O-N 3.18Å; Y82-L85 VanDerWaalsContact O-N 3.16Å; D83-L85 VanDerWaalsContact C-N 3.27Å; D83-L85 PolarHBondContact O-N 2.92Å; L85-F97 HydrophobicContact CD1-CD2 4.11Å; L85-F97 HydrophobicContact CD1-CE2 3.8Å
86N42.9Very low51.4Low39 Ų3986.6 Ų86.621%0.20943%0.429CS..SBendtrans-92.699.2172.3-72.2-13.1000107.6Y82 S88 G92Y82-N86 PolarHBondContact O-N 3.49Å; N86-S88 PolarHBondContact O-N 2.68Å; N86-G92 PolarHBondContact ND2-O 3.07Å
87D40.7Very low50.9Low119 Ų11988.9 Ų88.964%0.63644%0.438SS*.  trans-48.6130.8167.6-167.44.1000108R89 S90D87-R89 PolarHBondContact O-N 3.39Å; D87-S90 PolarHBondContact O-N 2.93Å
88S46.4Very low50.3Low115 Ų11589 Ų8980%0.80444%0.439SS*.THydrogen-bonded Turntrans-54.38.8-166.853.50000116.9N86N86-S88 PolarHBondContact O-N 2.68Å
89R44.5Very low49.6Very low229 Ų22984 Ų8486%0.86442%0.416SS*.THydrogen-bonded Turntrans-120.32180-64.9179.4175.2168.4-1.7114.1D87D87-R89 PolarHBondContact O-N 3.39Å
90S40.1Very low48.8Very low78 Ų7882.3 Ų82.355%0.54541%0.407SS..  trans-113.7114.1-179.8-69.80000111.6D87 G92D87-S90 PolarHBondContact O-N 2.93Å; S90-G92 PolarHBondContact O-N 3.33Å
91E45.8Very low48Very low211 Ų21179.1 Ų79.199%0.98640%0.398SS*.  trans-65.849161.3-67.4-179.4157.800111.1
92G44.9Very low47.5Very low28 Ų2882.8 Ų82.829%0.28942%0.421SS..PPolyproline II helixtrans-87.2156.3-177.800000111.6N86 S90 I94N86-G92 PolarHBondContact ND2-O 3.07Å; S90-G92 PolarHBondContact O-N 3.33Å; G92-I94 PolarHBondContact O-N 3.37Å
93P47.6Very low46.7Very low48 Ų4882.6 Ų82.631%0.31242%0.423SS..PPolyproline II helixtrans-56.8133177.924.2-33.5000111.3R95 T123 D124P93-R95 PolarHBondContact O-N 3.42Å; P93-T123 WeakPolarHBondContact CA-OG1 3.49Å; P93-T123 WeakPolarHBondContact CB-OG1 3.24Å; P93-D124 HydrophobicContact CB-CB 4.05Å; P93-D124 WeakPolarHBondContact CB-OD1 3.25Å
94I50.8Low46.2Very low29 Ų2982.5 Ų82.515%0.14943%0.425CS..PPolyproline II helixtrans-61.3122171.9-61.7176.1000107.8Y82 G92 I96 N121 I122Y82-I94 HydrophobicContact CD1-CG2 4.32Å; Y82-I94 HydrophobicContact CD2-CG1 4.46Å; Y82-I94 HydrophobicContact CD2-CG2 3.73Å; Y82-I94 HydrophobicContact CE2-CD1 4.49Å; Y82-I94 HydrophobicContact CE2-CG2 4.4Å; Y82-I94 HydrophobicContact CG-CG2 3.68Å; G92-I94 PolarHBondContact O-N 3.37Å; I94-I96 HydrophobicContact CG2-CD1 4.31Å; I94-I96 HydrophobicContact CG2-CG1 3.93Å; I94-N121 HydrophobicContact CD1-CB 3.95Å; I94-I122 HydrophobicContact CG2-CG1 4.33Å
95R51.2Low46Very low136 Ų13674.8 Ų74.851%0.51339%0.393SS..EExtended strand (participates in β ladder)trans-109.8113.7177.3-68.3-179.1-179.1174.52.5110.1P93 F97 D124P93-R95 PolarHBondContact O-N 3.42Å; R95-F97 HydrophobicContact CB-CE2 4.29Å; R95-D124 HydrophobicContact CG-CB 4.34Å
96I59.7Low46Very low3 Ų379 Ų792%0.01541%0.41CS..EExtended strand (participates in β ladder)trans-106.1130.9177-56.6-169.4000110.5L73 A76 V77 Y82 I94 I122 L125L73-I96 HydrophobicContact CD1-CD1 4.4Å; L73-I96 HydrophobicContact CD1-CG2 3.92Å; A76-I96 HydrophobicContact CB-CG2 3.48Å; A76-I96 VanDerWaalsContact CB-CG2 3.48Å; V77-I96 HydrophobicContact CG2-CD1 3.64Å; Y82-I96 HydrophobicContact CD1-CD1 4.45Å; Y82-I96 HydrophobicContact CD1-CG1 4.47Å; I94-I96 HydrophobicContact CG2-CD1 4.31Å; I94-I96 HydrophobicContact CG2-CG1 3.93Å; I96-I122 HydrophobicContact CD1-CD1 3.41Å; I96-I122 VanDerWaalsContact CD1-CD1 3.41Å; I96-I122 HydrophobicContact CD1-CG1 4Å; I96-I122 HydrophobicContact CG1-CD1 4.43Å; I96-L125 HydrophobicContact CB-CD1 4.15Å
97F51.8Low46.2Very low53 Ų5382.4 Ų82.423%0.23243%0.429CS..EExtended strand (participates in β ladder)trans-109.494.2172.6-62.5-80.3000108.5R16 L85 R95 D126R16-F97 VanDerWaalsContact NE-CZ 3.33Å; L85-F97 HydrophobicContact CD1-CD2 4.11Å; L85-F97 HydrophobicContact CD1-CE2 3.8Å; R95-F97 HydrophobicContact CB-CE2 4.29Å; F97-D126 HydrophobicContact CD1-CB 4.32Å; F97-D126 HydrophobicContact CE1-CB 4.09Å
98A53Low46.3Very low5 Ų579.9 Ų79.94%0.04141%0.413CS..BIsolated β-bridgetrans-80.6160.8173.500000110.4C71 L73 L127 T130C71-A98 CarbonylContact O-C 3.46Å; C71-A98 VanDerWaalsContact O-C 3.26Å; C71-A98 WeakPolarHBondContact O-CA 3.39Å; L73-A98 HydrophobicContact CB-CB 4.17Å; A98-L127 HydrophobicContact CB-CD2 4.13Å; A98-T130 HydrophobicContact CB-CG2 4.41Å; A98-T130 WeakPolarHBondContact O-CG2 3.38Å
99S51.4Low46.2Very low5 Ų578 Ų784%0.03541%0.405CS..  trans-142.3137.3166.1179.60000106.4C71 S72 K101C71-S99 PolarHBondContact O-N 3.45Å; S72-S99 WeakPolarHBondContact CA-O 3.45Å; S99-K101 PolarHBondContact O-N 2.95Å
100G46.4Very low46.1Very low18 Ų1870.7 Ų70.719%0.18640%0.4CS..  trans-55.7114.8-179.400000110.6
101K44.3Very low46.3Very low96 Ų9672.3 Ų72.342%0.41741%0.407SS..  trans-132.7152.4161.2-94.2-174.1-177.5168.80105.2E75 S99 A103E75-K101 VanDerWaalsContact CD-NZ 3.26Å; E75-K101 IonicContact OE1-NZ 3.03Å; E75-K101 PolarHBondContact OE1-NZ 2.76Å; E75-K101 IonicContact OE2-NZ 3.33Å; E75-K101 PolarHBondContact OE2-NZ 3.4Å; S99-K101 PolarHBondContact O-N 2.95Å; K101-A103 PolarHBondContact O-N 3.1Å
102D43Very low46.5Very low171 Ų17165.5 Ų65.591%0.91438%0.377SS*.SBendtrans-55.155.2-174.4-51.8-66.1000115.4
103A38.2Very low47Very low15 Ų1572.7 Ų72.712%0.12440%0.4CS..  trans-105.984.8178.500000108.6F74 K101 I105F74-A103 HydrophobicContact CD2-CB 3.71Å; F74-A103 HydrophobicContact CE2-CB 4.19Å; K101-A103 PolarHBondContact O-N 3.1Å; A103-I105 PolarHBondContact O-N 3.24Å
104T37.1Very low47.4Very low77 Ų7775.8 Ų75.847%0.47241%0.414SS..  trans-58.4121.1163.720.70000108.8E106 D107T104-E106 PolarHBondContact O-N 2.95Å; T104-E106 VanDerWaalsContact O-N 3.09Å; T104-D107 PolarHBondContact O-N 2.64Å; T104-D107 PolarHBondContact OG1-OD2 3.08Å
105I43.8Very low48Very low20 Ų2075.3 Ų75.310%0.10341%0.412CS..Hα-helixtrans-56.6-28.1179.9-65.9162000111.3F74 A103 D107 H108 A109 E137 L140 M141F74-I105 HydrophobicContact CE2-CG1 4.03Å; F74-I105 HydrophobicContact CZ-CB 4.35Å; F74-I105 HydrophobicContact CZ-CG1 4.06Å; F74-I105 HydrophobicContact CZ-CG2 4.43Å; A103-I105 PolarHBondContact O-N 3.24Å; I105-D107 VanDerWaalsContact C-N 3.26Å; I105-D107 PolarHBondContact O-N 3.46Å; I105-H108 PolarHBondContact O-N 2.79Å; I105-A109 WeakPolarHBondContact O-CB 3.3Å; I105-A109 PolarHBondContact O-N 2.97Å; I105-E137 HydrophobicContact CD1-CG 3.82Å; I105-E137 WeakPolarHBondContact CD1-O 2.99Å; I105-E137 HydrophobicContact CG1-CG 4.41Å; I105-L140 HydrophobicContact CD1-CB 3.37Å; I105-L140 HydrophobicContact CD1-CD1 4.22Å; I105-L140 HydrophobicContact CD1-CG 4.45Å; I105-M141 HydrophobicContact CD1-CG 3.68Å; I105-M141 HydrophobicContact CG1-CG 4.48Å
106E43.3Very low48.7Very low164 Ų16474.5 Ų74.577%0.76641%0.414SS*.Hα-helixtrans-61.8-29.6178.4-62-174.7172.100113T104T104-E106 PolarHBondContact O-N 2.95Å; T104-E106 VanDerWaalsContact O-N 3.09Å
107D45.5Very low49.1Very low111 Ų11179.6 Ų79.659%0.59444%0.441SS*.Hα-helixtrans-77.8-24.6180-66.8-44.1000113.1T104 I105T104-D107 PolarHBondContact O-N 2.64Å; T104-D107 PolarHBondContact OG1-OD2 3.08Å; I105-D107 VanDerWaalsContact C-N 3.26Å; I105-D107 PolarHBondContact O-N 3.46Å
108H43.5Very low50Low65 Ų6578.4 Ų78.430%0.30144%0.438SS..Hα-helixtrans-105.6-21.5-175.6-72-73000114F74 I105 G110 V111F74-H108 HydrophobicContact CD1-CB 3.77Å; F74-H108 AromaticContact CD1-CG 3.89Å; F74-H108 HydrophobicContact CE1-CB 3.4Å; F74-H108 AromaticContact CE1-CG 4Å; F74-H108 HydrophobicContact CG-CB 4.48Å; F74-H108 AromaticContact CG-CD2 3.98Å; F74-H108 HydrophobicContact CZ-CB 3.82Å; I105-H108 PolarHBondContact O-N 2.79Å; H108-G110 PolarHBondContact O-N 3.18Å; H108-G110 VanDerWaalsContact O-N 3.1Å; H108-V111 PolarHBondContact O-N 3.08Å; H108-V111 VanDerWaalsContact O-N 3.14Å
109A43.6Very low51.1Low77 Ų7778.4 Ų78.464%0.63644%0.437SS*.THydrogen-bonded Turntrans-62.9-16.7-177.700000114.1I105I105-A109 WeakPolarHBondContact O-CB 3.3Å; I105-A109 PolarHBondContact O-N 2.97Å
110G42.5Very low52.5Low75 Ų7581 Ų8177%0.77345%0.453SS*.THydrogen-bonded Turntrans-88.8-9.7176.100000116H108H108-G110 PolarHBondContact O-N 3.18Å; H108-G110 VanDerWaalsContact O-N 3.1Å
111V45Very low53.8Low112 Ų11284.9 Ų84.968%0.67947%0.469SS*.THydrogen-bonded Turntrans-115.7-15.9-152.2-176.20000115.8H108H108-V111 PolarHBondContact O-N 3.08Å; H108-V111 VanDerWaalsContact O-N 3.14Å
112N50.3Low55.4Low67 Ų6780.3 Ų80.336%0.35845%0.449SS..  trans-153.198.2-175-150.5-15.3000115.3N114 L115N112-N114 PolarHBondContact O-N 3.23Å; N112-N114 VanDerWaalsContact OD1-CB 3.29Å; N112-N114 WeakPolarHBondContact OD1-CB 3.31Å; N112-N114 PolarHBondContact OD1-N 3.02Å; N112-N114 PolarHBondContact OD1-ND2 3.28Å; N112-L115 HydrophobicContact CB-CB 4.5Å; N112-L115 HydrophobicContact CB-CD1 3.82Å; N112-L115 HydrophobicContact CB-CG 3.88Å; N112-L115 WeakPolarHBondContact O-CB 3.46Å; N112-L115 PolarHBondContact O-N 3.48Å
113K55.1Low57.3Low179 Ų17973.3 Ų73.378%0.77841%0.412SS*.Hα-helixtrans-51.5-28170.2-72.9-175.5176.1-178.50113L115 E116K113-L115 PolarHBondContact O-N 3.05Å; K113-E116 PolarHBondContact O-N 3.35Å
114N56.7Low59.3Low114 Ų11474.1 Ų74.161%0.6142%0.415SS*.Hα-helixtrans-68.7-19.8178.2-59-47.9000113.5N112 V118N112-N114 PolarHBondContact O-N 3.23Å; N112-N114 VanDerWaalsContact OD1-CB 3.29Å; N112-N114 WeakPolarHBondContact OD1-CB 3.31Å; N112-N114 PolarHBondContact OD1-N 3.02Å; N112-N114 PolarHBondContact OD1-ND2 3.28Å; N114-V118 WeakPolarHBondContact O-CG2 3.29Å
115L62.6Low61.4Low18 Ų1870.6 Ų70.69%0.09439%0.393CS..Hα-helixtrans-79.6-33.1178.7-69174.5000111.9V77 E78 N112 K113 D117 V118 F119V77-L115 HydrophobicContact CB-CD2 4.35Å; V77-L115 HydrophobicContact CG1-CD2 3.36Å; E78-L115 HydrophobicContact CG-CD2 4.39Å; N112-L115 HydrophobicContact CB-CB 4.5Å; N112-L115 HydrophobicContact CB-CD1 3.82Å; N112-L115 HydrophobicContact CB-CG 3.88Å; N112-L115 WeakPolarHBondContact O-CB 3.46Å; N112-L115 PolarHBondContact O-N 3.48Å; K113-L115 PolarHBondContact O-N 3.05Å; L115-D117 VanDerWaalsContact C-N 3.33Å; L115-D117 PolarHBondContact O-N 2.96Å; L115-V118 PolarHBondContact O-N 3.04Å; L115-V118 VanDerWaalsContact O-N 3.1Å; L115-F119 HydrophobicContact CB-CD2 4.27Å; L115-F119 HydrophobicContact CB-CE2 3.95Å; L115-F119 WeakPolarHBondContact O-CD2 3.09Å; L115-F119 PolarHBondContact O-N 3.15Å
116E65.7Low62.8Low120 Ų12071.5 Ų71.556%0.56140%0.398SS*.Hα-helixtrans-58.6-46178.2-66.4-175.7172.900111.1K113 V118 F119 V120K113-E116 PolarHBondContact O-N 3.35Å; E116-V118 VanDerWaalsContact C-N 3.25Å; E116-V118 PolarHBondContact O-N 3.4Å; E116-F119 PolarHBondContact O-N 2.99Å; E116-V120 WeakPolarHBondContact O-CG2 3.4Å; E116-V120 PolarHBondContact O-N 3.42Å
117D69.3Low64.3Low109 Ų10963.7 Ų63.758%0.58336%0.362SS*.Hα-helixtrans-59.2-36.8176.3-71.2-24.8000112.1L115 N121L115-D117 VanDerWaalsContact C-N 3.33Å; L115-D117 PolarHBondContact O-N 2.96Å; D117-N121 PolarHBondContact O-ND2 3.3Å
118V69.3Low65.2Low28 Ų2858.6 Ų58.617%0.1734%0.335CS..Hα-helixtrans-69.5-45.5176.9-177.90000110.7V77 Y82 N114 L115 E116 V120 N121 I122V77-V118 HydrophobicContact CG1-CB 4.07Å; V77-V118 HydrophobicContact CG1-CG1 3.75Å; V77-V118 HydrophobicContact CG1-CG2 4.5Å; Y82-V118 HydrophobicContact CE1-CG1 4.42Å; N114-V118 WeakPolarHBondContact O-CG2 3.29Å; L115-V118 PolarHBondContact O-N 3.04Å; L115-V118 VanDerWaalsContact O-N 3.1Å; E116-V118 VanDerWaalsContact C-N 3.25Å; E116-V118 PolarHBondContact O-N 3.4Å; V118-V120 VanDerWaalsContact C-N 3.33Å; V118-V120 PolarHBondContact O-N 2.72Å; V118-N121 PolarHBondContact O-N 2.9Å; V118-N121 VanDerWaalsContact O-N 3.11Å; V118-I122 PolarHBondContact O-N 2.8Å
119F76.8Confident65.7Low6 Ų656.2 Ų56.23%0.02632%0.323CS..Hα-helixtrans-63.2-37.8-179.5-71.6-64.2000112.7L73 F74 V77 L115 E116 N121 I122 L144 M145L73-F119 HydrophobicContact CD1-CE1 4.25Å; L73-F119 HydrophobicContact CD2-CE1 3.72Å; L73-F119 HydrophobicContact CD2-CZ 4.24Å; L73-F119 HydrophobicContact CG-CE1 3.95Å; L73-F119 HydrophobicContact CG-CZ 4.43Å; F74-F119 HydrophobicContact CE1-CZ 4.45Å; V77-F119 HydrophobicContact CG2-CE1 3.77Å; V77-F119 HydrophobicContact CG2-CZ 4.02Å; L115-F119 HydrophobicContact CB-CD2 4.27Å; L115-F119 HydrophobicContact CB-CE2 3.95Å; L115-F119 WeakPolarHBondContact O-CD2 3.09Å; L115-F119 PolarHBondContact O-N 3.15Å; E116-F119 PolarHBondContact O-N 2.99Å; F119-N121 PolarHBondContact O-N 2.97Å; F119-I122 HydrophobicContact CD1-CD1 3.7Å; F119-I122 HydrophobicContact CE1-CD1 4.33Å; F119-I122 PolarHBondContact O-N 2.66Å; F119-I122 VanDerWaalsContact O-N 3.14Å; F119-L144 CarbonylContact C-O 3.58Å; F119-L144 HydrophobicContact CB-CB 3.79Å; F119-L144 WeakPolarHBondContact CB-O 3.46Å; F119-L144 HydrophobicContact CD1-CB 4.25Å; F119-L144 HydrophobicContact CD2-CB 4.18Å; F119-L144 HydrophobicContact CD2-CD1 4Å; F119-L144 HydrophobicContact CE2-CD1 3.97Å; F119-L144 HydrophobicContact CG-CB 3.84Å; F119-L144 HydrophobicContact CG-CD1 4.33Å; F119-L144 HydrophobicContact CZ-CD1 4.29Å; F119-M145 HydrophobicContact CB-CG 4.29Å; F119-M145 HydrophobicContact CD1-CG 4.19Å
120V80.5Confident66.4Low59 Ų5952.9 Ų52.936%0.35830%0.295SS..Hα-helixtrans-61.5-27.9176173.10000112.1E116 V118 P146 N147E116-V120 WeakPolarHBondContact O-CG2 3.4Å; E116-V120 PolarHBondContact O-N 3.42Å; V118-V120 VanDerWaalsContact C-N 3.33Å; V118-V120 PolarHBondContact O-N 2.72Å; V120-P146 HydrophobicContact CG2-CG 4.35Å; V120-N147 WeakPolarHBondContact O-CB 3.29Å; V120-N147 PolarHBondContact O-ND2 3.15Å
121N74.6Confident66.7Low100 Ų10053 Ų5354%0.53528%0.278SS..Hα-helixtrans-86.7-9.3179.7-71.5-45.4000114.1I94 D117 V118 F119 T123I94-N121 HydrophobicContact CD1-CB 3.95Å; D117-N121 PolarHBondContact O-ND2 3.3Å; V118-N121 PolarHBondContact O-N 2.9Å; V118-N121 VanDerWaalsContact O-N 3.11Å; F119-N121 PolarHBondContact O-N 2.97Å; N121-T123 PolarHBondContact O-N 3.02Å
122I76.7Confident67.2Low0 Ų048 Ų480%025%0.248CC..  trans-71.3124.7178.4-61.4168.3000110.1I94 I96 V118 F119 M145 N147 L148I94-I122 HydrophobicContact CG2-CG1 4.33Å; I96-I122 HydrophobicContact CD1-CD1 3.41Å; I96-I122 VanDerWaalsContact CD1-CD1 3.41Å; I96-I122 HydrophobicContact CD1-CG1 4Å; I96-I122 HydrophobicContact CG1-CD1 4.43Å; V118-I122 PolarHBondContact O-N 2.8Å; F119-I122 HydrophobicContact CD1-CD1 3.7Å; F119-I122 HydrophobicContact CE1-CD1 4.33Å; F119-I122 PolarHBondContact O-N 2.66Å; F119-I122 VanDerWaalsContact O-N 3.14Å; I122-M145 HydrophobicContact CB-CG 4.06Å; I122-M145 HydrophobicContact CB-SD 3.96Å; I122-M145 HydrophobicContact CD1-CG 4.04Å; I122-M145 HydrophobicContact CD1-SD 3.68Å; I122-M145 HydrophobicContact CG1-SD 4.46Å; I122-M145 HydrophobicContact CG2-CG 4.41Å; I122-M145 HydrophobicContact CG2-SD 3.7Å; I122-N147 CarbonylContact O-C 3.26Å; I122-L148 HydrophobicContact CG2-CD1 3.98Å; I122-L148 PolarHBondContact O-N 2.76Å
123T82.4Confident67.4Low23 Ų2348.9 Ų48.914%0.14126%0.255CS..  trans-115.6-24.9-179.643.60000112.7P93 N121 K149 V150P93-T123 WeakPolarHBondContact CA-OG1 3.49Å; P93-T123 WeakPolarHBondContact CB-OG1 3.24Å; N121-T123 PolarHBondContact O-N 3.02Å; T123-K149 HydrophobicContact CG2-CD 4.38Å; T123-K149 WeakPolarHBondContact O-CA 3.43Å; T123-K149 PolarHBondContact O-N 3.38Å; T123-V150 PolarHBondContact O-N 2.96Å
124D80Confident67.8Low32 Ų3243.7 Ų43.717%0.17124%0.236CC..EExtended strand (participates in β ladder)trans-132.5116.6-178.1-7357.8000110.2P93 R95 V150P93-D124 HydrophobicContact CB-CB 4.05Å; P93-D124 WeakPolarHBondContact CB-OD1 3.25Å; R95-D124 HydrophobicContact CG-CB 4.34Å; D124-V150 WeakPolarHBondContact CA-O 3.35Å; D124-V150 HydrophobicContact CB-CB 4.18Å; D124-V150 VanDerWaalsContact OD2-CB 3.26Å; D124-V150 WeakPolarHBondContact OD2-CB 3.43Å; D124-V150 WeakPolarHBondContact OD2-CG2 3.45Å
125L82.5Confident68.6Low3 Ų340 Ų402%0.01621%0.214CC..EExtended strand (participates in β ladder)trans-121.5124.9179.8-175.868.1000110.5L73 I96 L127 L142 M145 L148 V150 L151 N152L73-L125 HydrophobicContact CD1-CD1 4.42Å; I96-L125 HydrophobicContact CB-CD1 4.15Å; L125-L127 HydrophobicContact CD1-CD2 3.97Å; L125-L127 HydrophobicContact CD2-CD1 3.87Å; L125-L127 HydrophobicContact CD2-CD2 3.94Å; L125-L127 HydrophobicContact CD2-CG 3.79Å; L125-L127 HydrophobicContact CG-CD1 4.49Å; L125-L127 HydrophobicContact CG-CD2 3.88Å; L125-L127 HydrophobicContact CG-CG 3.86Å; L125-L142 HydrophobicContact CD2-CD2 4.04Å; L125-M145 HydrophobicContact CD1-SD 4.49Å; L125-M145 HydrophobicContact CD2-CE 3.63Å; L125-M145 HydrophobicContact CD2-SD 3.95Å; L125-L148 HydrophobicContact CB-CD1 3.53Å; L125-L148 HydrophobicContact CB-CD2 4.3Å; L125-V150 PolarHBondContact N-O 3.38Å; L125-L151 HydrophobicContact CB-CD1 4.1Å; L125-L151 HydrophobicContact CD2-CD1 3.96Å; L125-L151 HydrophobicContact CG-CD1 4.22Å; L125-L151 WeakPolarHBondContact O-CA 3.14Å; L125-N152 PolarHBondContact O-N 2.99Å
126D73.8Confident69.1Low40 Ų4046.4 Ų46.421%0.21424%0.24CC..EExtended strand (participates in β ladder)trans-110.9100.1174.5-162.7-30.9000110.2F97 S128 N152F97-D126 HydrophobicContact CD1-CB 4.32Å; F97-D126 HydrophobicContact CE1-CB 4.09Å; D126-S128 VanDerWaalsContact C-N 3.33Å; D126-S128 WeakPolarHBondContact OD1-CA 3.48Å; D126-S128 WeakPolarHBondContact OD1-CB 3.42Å; D126-S128 PolarHBondContact OD1-N 2.85Å; D126-S128 PolarHBondContact OD1-OG 3.43Å; D126-N152 HydrophobicContact CB-CB 4.27Å; D126-N152 VanDerWaalsContact CG-ND2 3.27Å; D126-N152 PolarHBondContact OD1-ND2 3.43Å; D126-N152 VanDerWaalsContact OD1-ND2 3.13Å; D126-N152 PolarHBondContact OD2-ND2 3.13Å
127L74.9Confident69.3Low0 Ų043.3 Ų43.30%023%0.226CC..  trans-97.117170.7-54.7-178.4000111.3A98 L125 H129 T130 I138 M141 L151 N152 L153A98-L127 HydrophobicContact CB-CD2 4.13Å; L125-L127 HydrophobicContact CD1-CD2 3.97Å; L125-L127 HydrophobicContact CD2-CD1 3.87Å; L125-L127 HydrophobicContact CD2-CD2 3.94Å; L125-L127 HydrophobicContact CD2-CG 3.79Å; L125-L127 HydrophobicContact CG-CD1 4.49Å; L125-L127 HydrophobicContact CG-CD2 3.88Å; L125-L127 HydrophobicContact CG-CG 3.86Å; L127-H129 PolarHBondContact O-N 3.33Å; L127-T130 HydrophobicContact CB-CG2 4.19Å; L127-T130 HydrophobicContact CD2-CG2 4.32Å; L127-T130 PolarHBondContact O-N 3.49Å; L127-T130 PolarHBondContact O-OG1 3.19Å; L127-I138 HydrophobicContact CD1-CD1 4.25Å; L127-I138 HydrophobicContact CD1-CG1 4.37Å; L127-I138 HydrophobicContact CD1-CG2 4.03Å; L127-M141 HydrophobicContact CD1-CE 4.48Å; L127-M141 HydrophobicContact CD2-CE 4.07Å; L127-L151 HydrophobicContact CD1-CD1 4.42Å; L127-L151 HydrophobicContact CG-CD1 4.48Å; L127-N152 CarbonylContact C-O 3.12Å; L127-N152 VanDerWaalsContact C-O 3.24Å; L127-N152 WeakPolarHBondContact CA-O 3.02Å; L127-N152 PolarHBondContact N-O 2.73Å; L127-L153 HydrophobicContact CB-CD2 3.97Å; L127-L153 HydrophobicContact CD1-CD2 3.85Å; L127-L153 HydrophobicContact CG-CD2 4.34Å
128S63.4Low69.6Low3 Ų338.1 Ų38.12%0.02120%0.198CC..THydrogen-bonded Turntrans-66124.818067.50000110.3R9 D126 T130 N152 R154R9-S128 PolarHBondContact NE-O 2.93Å; D126-S128 VanDerWaalsContact C-N 3.33Å; D126-S128 WeakPolarHBondContact OD1-CA 3.48Å; D126-S128 WeakPolarHBondContact OD1-CB 3.42Å; D126-S128 PolarHBondContact OD1-N 2.85Å; D126-S128 PolarHBondContact OD1-OG 3.43Å; S128-T130 PolarHBondContact O-N 3.49Å; S128-N152 WeakPolarHBondContact CB-OD1 3.12Å; S128-N152 PolarHBondContact N-O 3.22Å; S128-N152 PolarHBondContact OG-ND2 3.25Å; S128-R154 VanDerWaalsContact CA-O 3.25Å; S128-R154 WeakPolarHBondContact CA-O 3.31Å; S128-R154 WeakPolarHBondContact CB-O 3.26Å; S128-R154 PolarHBondContact OG-NH2 3.46Å; S128-R154 VanDerWaalsContact OG-NH2 3.15Å
129H54.1Low70.2Confident15 Ų1537.4 Ų37.47%0.06919%0.194CC..THydrogen-bonded Turntrans6028.4-176.2-47.1-112.9000114.5R9 T18 D34 L127 R154 H155R9-H129 VanDerWaalsContact CD-CB 3.42Å; R9-H129 HydrophobicContact CG-CB 4.05Å; R9-H129 WeakPolarHBondContact CG-O 3.08Å; R9-H129 PolarHBondContact NH1-CD2 3.5Å; R9-H129 PolarHBondContact NH1-NE2 3.37Å; T18-H129 PolarHBondContact OG1-ND1 3.49Å; T18-H129 VanDerWaalsContact OG1-ND1 3.15Å; D34-H129 IonicContact OD1-CD2 2.69Å; D34-H129 IonicContact OD1-CE1 2.67Å; D34-H129 IonicContact OD1-NE2 3.81Å; D34-H129 PolarHBondContact OD1-NE2 3.4Å; L127-H129 PolarHBondContact O-N 3.33Å; H129-R154 PolarHBondContact CD2-NH2 3.14Å; H129-R154 VanDerWaalsContact CD2-NH2 3.34Å; H129-R154 PolarHBondContact N-O 3.34Å; H129-R154 PolarHBondContact NE2-NH2 3.12Å; H129-R154 VanDerWaalsContact NE2-NH2 3.12Å; H129-H155 AromaticContact CD2-CD2 3.95Å; H129-H155 AromaticContact CE1-CD2 3.03Å; H129-H155 PolarHBondContact CE1-CD2 3.4Å; H129-H155 AromaticContact CE1-CG 3.97Å; H129-H155 AromaticContact CE1-NE2 3.22Å; H129-H155 PolarHBondContact CE1-NE2 2.92Å; H129-H155 AromaticContact CG-CD2 3.85Å; H129-H155 AromaticContact ND1-CD2 3.28Å; H129-H155 PolarHBondContact ND1-CD2 3.11Å; H129-H155 VanDerWaalsContact ND1-CD2 3.28Å; H129-H155 AromaticContact ND1-CG 3.81Å; H129-H155 AromaticContact ND1-NE2 3.77Å; H129-H155 AromaticContact NE2-CD2 3.47Å; H129-H155 PolarHBondContact NE2-CD2 2.97Å; H129-H155 AromaticContact NE2-NE2 3.88Å
130T58.2Low70.2Confident7 Ų740.1 Ų40.14%0.04321%0.208CC..  trans-76.5139.8162.759.80000109.8A98 L127 S128 V132A98-T130 HydrophobicContact CB-CG2 4.41Å; A98-T130 WeakPolarHBondContact O-CG2 3.38Å; L127-T130 HydrophobicContact CB-CG2 4.19Å; L127-T130 HydrophobicContact CD2-CG2 4.32Å; L127-T130 PolarHBondContact O-N 3.49Å; L127-T130 PolarHBondContact O-OG1 3.19Å; S128-T130 PolarHBondContact O-N 3.49Å; T130-V132 PolarHBondContact O-N 2.97Å
131L49.2Very low70.1Confident79 Ų7937.5 Ų37.541%0.41419%0.192SC..  trans-75.224.1171.9-64.8173.8000113V133L131-V133 VanDerWaalsContact C-N 3.29Å; L131-V133 VanDerWaalsContact O-CG2 3.3Å; L131-V133 WeakPolarHBondContact O-CG2 3.47Å; L131-V133 PolarHBondContact O-N 2.9Å
132V55.8Low70.6Confident7 Ų733.1 Ų33.14%0.04217%0.169CC..  trans-67.499.6168.7-176.20000106.2T130 E137 I138 W156T130-V132 PolarHBondContact O-N 2.97Å; V132-E137 HydrophobicContact CG1-CB 3.99Å; V132-E137 HydrophobicContact CG1-CG 4.19Å; V132-I138 HydrophobicContact CB-CD1 4.22Å; V132-I138 HydrophobicContact CB-CG1 4.08Å; V132-I138 HydrophobicContact CG1-CD1 4.02Å; V132-I138 HydrophobicContact CG1-CG1 3.42Å; V132-I138 VanDerWaalsContact CG1-CG1 3.42Å; V132-W156 VanDerWaalsContact O-CD1 3.3Å; V132-W156 PolarHBondContact O-NE1 3.24Å; V132-W156 VanDerWaalsContact O-NE1 3.16Å
133V53.9Low71Confident85 Ų8540.7 Ų40.752%0.51520%0.197SC..  trans-73.3-54-179.1-169.20000106.3L131 W135 Y160L131-V133 VanDerWaalsContact C-N 3.29Å; L131-V133 VanDerWaalsContact O-CG2 3.3Å; L131-V133 WeakPolarHBondContact O-CG2 3.47Å; L131-V133 PolarHBondContact O-N 2.9Å; V133-W135 PolarHBondContact O-N 2.84Å; V133-Y160 HydrophobicContact CB-CE2 4.32Å; V133-Y160 HydrophobicContact CG1-CD2 4.41Å; V133-Y160 HydrophobicContact CG1-CE2 3.44Å; V133-Y160 VanDerWaalsContact CG1-CE2 3.44Å; V133-Y160 WeakPolarHBondContact CG1-OH 3.26Å; V133-Y160 WeakPolarHBondContact O-CE2 3.16Å; V133-Y160 VanDerWaalsContact O-CZ 3.24Å; V133-Y160 PolarHBondContact O-OH 2.9Å
134D64.3Low71Confident69 Ų6942.4 Ų42.437%0.36921%0.206SC..  trans-74.1122-171.5-157.8-18.8000114.5K136 E137 I138 Y160D134-K136 PolarHBondContact O-N 3.29Å; D134-K136 WeakPolarHBondContact OD1-CB 2.97Å; D134-K136 WeakPolarHBondContact OD1-CG 3.4Å; D134-K136 PolarHBondContact OD1-N 3.45Å; D134-E137 HydrophobicContact CB-CB 4.23Å; D134-E137 WeakPolarHBondContact O-CB 3.29Å; D134-E137 PolarHBondContact O-N 3.47Å; D134-E137 VanDerWaalsContact O-N 3.15Å; D134-I138 PolarHBondContact O-N 2.99Å; D134-Y160 WeakPolarHBondContact CA-OH 3.44Å
135W73.3Confident71.3Confident38 Ų3840.9 Ų40.914%0.14420%0.197CC..Hα-helixtrans-58.4-33.5169.5-176.4-121.6000112.1V133 E137 I138 V139 L153 W156 C174 E177 L178V133-W135 PolarHBondContact O-N 2.84Å; W135-E137 VanDerWaalsContact C-N 3.27Å; W135-E137 PolarHBondContact O-N 2.64Å; W135-I138 HydrophobicContact CE3-CB 3.78Å; W135-I138 HydrophobicContact CE3-CD1 4.09Å; W135-I138 HydrophobicContact CE3-CG1 4.4Å; W135-I138 HydrophobicContact CE3-CG2 3.87Å; W135-I138 HydrophobicContact CH2-CG2 4.28Å; W135-I138 HydrophobicContact CZ3-CB 4.05Å; W135-I138 HydrophobicContact CZ3-CD1 4.28Å; W135-I138 HydrophobicContact CZ3-CG2 3.58Å; W135-I138 PolarHBondContact O-N 3.33Å; W135-V139 HydrophobicContact CD2-CG2 3.96Å; W135-V139 VanDerWaalsContact CE2-CG2 3.44Å; W135-V139 HydrophobicContact CG-CG2 4.16Å; W135-V139 HydrophobicContact CZ2-CG2 3.88Å; W135-V139 VanDerWaalsContact NE1-CG2 3.26Å; W135-V139 VanDerWaalsContact O-CG2 3.28Å; W135-V139 WeakPolarHBondContact O-CG2 2.96Å; W135-V139 PolarHBondContact O-N 3.42Å; W135-L153 HydrophobicContact CH2-CD1 4.13Å; W135-L153 HydrophobicContact CZ3-CD1 3.95Å; W135-W156 HydrophobicContact CB-CH2 3.84Å; W135-W156 HydrophobicContact CB-CZ2 3.61Å; W135-W156 AromaticContact CD2-CH2 3.35Å; W135-W156 HydrophobicContact CD2-CH2 3.35Å; W135-W156 AromaticContact CD2-CZ2 3.75Å; W135-W156 HydrophobicContact CD2-CZ2 3.75Å; W135-W156 HydrophobicContact CD2-CZ3 4.1Å; W135-W156 HydrophobicContact CE3-CD2 4.28Å; W135-W156 AromaticContact CE3-CE2 3.8Å; W135-W156 HydrophobicContact CE3-CE3 4.08Å; W135-W156 AromaticContact CE3-CH2 2.93Å; W135-W156 HydrophobicContact CE3-CH2 2.93Å; W135-W156 AromaticContact CE3-CZ2 3.16Å; W135-W156 HydrophobicContact CE3-CZ2 3.16Å; W135-W156 AromaticContact CE3-CZ3 3.42Å; W135-W156 HydrophobicContact CE3-CZ3 3.42Å; W135-W156 VanDerWaalsContact CE3-CZ3 3.42Å; W135-W156 AromaticContact CG-CH2 3.76Å; W135-W156 HydrophobicContact CG-CH2 3.76Å; W135-W156 AromaticContact CG-CZ2 3.98Å; W135-W156 HydrophobicContact CG-CZ2 3.98Å; W135-W156 HydrophobicContact CH2-CH2 4.49Å; W135-W156 HydrophobicContact CH2-CZ3 4.3Å; W135-W156 HydrophobicContact CZ3-CD2 4.37Å; W135-W156 AromaticContact CZ3-CE3 3.93Å; W135-W156 HydrophobicContact CZ3-CE3 3.93Å; W135-W156 AromaticContact CZ3-CH2 3.56Å; W135-W156 HydrophobicContact CZ3-CH2 3.56Å; W135-W156 HydrophobicContact CZ3-CZ2 4Å; W135-W156 AromaticContact CZ3-CZ3 3.49Å; W135-W156 HydrophobicContact CZ3-CZ3 3.49Å; W135-W156 VanDerWaalsContact CZ3-CZ3 3.49Å; W135-C174 HydrophobicContact CD2-CB 3.97Å; W135-C174 HydrophobicContact CE3-CB 4.45Å; W135-C174 HydrophobicContact CH2-CB 3.84Å; W135-C174 HydrophobicContact CZ2-CB 3.36Å; W135-C174 WeakPolarHBondContact CZ2-O 3.25Å; W135-C174 HydrophobicContact CZ3-CB 4.36Å; W135-E177 HydrophobicContact CZ2-CB 3.98Å; W135-L178 HydrophobicContact CH2-CD1 4.42Å; W135-L178 HydrophobicContact CH2-CD2 3.86Å; W135-L178 HydrophobicContact CH2-CG 3.96Å; W135-L178 HydrophobicContact CZ2-CD2 4.47Å; W135-L178 HydrophobicContact CZ2-CG 4.33Å
136K72.1Confident71.5Confident151 Ų15143.3 Ų43.366%0.65721%0.213SC*.Hα-helixtrans-60.2-40.9177.1-66.1177.7178.4176.60111.1D134 V139 L140D134-K136 PolarHBondContact O-N 3.29Å; D134-K136 WeakPolarHBondContact OD1-CB 2.97Å; D134-K136 WeakPolarHBondContact OD1-CG 3.4Å; D134-K136 PolarHBondContact OD1-N 3.45Å; K136-V139 PolarHBondContact O-N 3.38Å; K136-L140 WeakPolarHBondContact O-CB 3.23Å; K136-L140 VanDerWaalsContact O-CG 3.28Å; K136-L140 WeakPolarHBondContact O-CG 3.35Å; K136-L140 PolarHBondContact O-N 3.4Å
137E69.6Low72.1Confident56 Ų5644.4 Ų44.426%0.26222%0.219SC..Hα-helixtrans-62.9-46.8176-167.3-174.4158.400110.5I105 V132 D134 W135 V139 L140 M141I105-E137 HydrophobicContact CD1-CG 3.82Å; I105-E137 WeakPolarHBondContact CD1-O 2.99Å; I105-E137 HydrophobicContact CG1-CG 4.41Å; V132-E137 HydrophobicContact CG1-CB 3.99Å; V132-E137 HydrophobicContact CG1-CG 4.19Å; D134-E137 HydrophobicContact CB-CB 4.23Å; D134-E137 WeakPolarHBondContact O-CB 3.29Å; D134-E137 PolarHBondContact O-N 3.47Å; D134-E137 VanDerWaalsContact O-N 3.15Å; W135-E137 VanDerWaalsContact C-N 3.27Å; W135-E137 PolarHBondContact O-N 2.64Å; E137-V139 VanDerWaalsContact C-N 3.34Å; E137-V139 PolarHBondContact O-N 2.89Å; E137-L140 PolarHBondContact O-N 2.98Å; E137-M141 HydrophobicContact CG-SD 4.32Å; E137-M141 VanDerWaalsContact O-CG 3.25Å; E137-M141 WeakPolarHBondContact O-CG 3.08Å; E137-M141 PolarHBondContact O-N 3.45Å
138I77.2Confident72.8Confident0 Ų044.4 Ų44.40%022%0.219CC..Hα-helixtrans-59.5-45175.4-61.5-171.8000111.3L127 V132 D134 W135 L140 M141 L142 W156L127-I138 HydrophobicContact CD1-CD1 4.25Å; L127-I138 HydrophobicContact CD1-CG1 4.37Å; L127-I138 HydrophobicContact CD1-CG2 4.03Å; V132-I138 HydrophobicContact CB-CD1 4.22Å; V132-I138 HydrophobicContact CB-CG1 4.08Å; V132-I138 HydrophobicContact CG1-CD1 4.02Å; V132-I138 HydrophobicContact CG1-CG1 3.42Å; V132-I138 VanDerWaalsContact CG1-CG1 3.42Å; D134-I138 PolarHBondContact O-N 2.99Å; W135-I138 HydrophobicContact CE3-CB 3.78Å; W135-I138 HydrophobicContact CE3-CD1 4.09Å; W135-I138 HydrophobicContact CE3-CG1 4.4Å; W135-I138 HydrophobicContact CE3-CG2 3.87Å; W135-I138 HydrophobicContact CH2-CG2 4.28Å; W135-I138 HydrophobicContact CZ3-CB 4.05Å; W135-I138 HydrophobicContact CZ3-CD1 4.28Å; W135-I138 HydrophobicContact CZ3-CG2 3.58Å; W135-I138 PolarHBondContact O-N 3.33Å; I138-L140 VanDerWaalsContact C-N 3.32Å; I138-L140 PolarHBondContact O-N 3.38Å; I138-M141 WeakPolarHBondContact O-CB 3.12Å; I138-M141 PolarHBondContact O-N 3.18Å; I138-L142 HydrophobicContact CG2-CD1 3.65Å; I138-L142 HydrophobicContact CG2-CG 3.93Å; I138-L142 WeakPolarHBondContact O-CB 3.17Å; I138-L142 WeakPolarHBondContact O-CG 3.39Å; I138-L142 PolarHBondContact O-N 2.93Å; I138-W156 VanDerWaalsContact CD1-CD1 3.43Å; I138-W156 HydrophobicContact CD1-CD2 3.95Å; I138-W156 HydrophobicContact CD1-CG 3.96Å; I138-W156 HydrophobicContact CD1-CZ2 4.28Å
139V80.8Confident74.1Confident13 Ų1349.2 Ų49.28%0.07924%0.239CC..Hα-helixtrans-61.1-43178.7170.10000110.9W135 K136 E137 L142 R143 E177W135-V139 HydrophobicContact CD2-CG2 3.96Å; W135-V139 VanDerWaalsContact CE2-CG2 3.44Å; W135-V139 HydrophobicContact CG-CG2 4.16Å; W135-V139 HydrophobicContact CZ2-CG2 3.88Å; W135-V139 VanDerWaalsContact NE1-CG2 3.26Å; W135-V139 VanDerWaalsContact O-CG2 3.28Å; W135-V139 WeakPolarHBondContact O-CG2 2.96Å; W135-V139 PolarHBondContact O-N 3.42Å; K136-V139 PolarHBondContact O-N 3.38Å; E137-V139 VanDerWaalsContact C-N 3.34Å; E137-V139 PolarHBondContact O-N 2.89Å; V139-L142 PolarHBondContact O-N 2.92Å; V139-R143 VanDerWaalsContact O-CG 3.3Å; V139-R143 WeakPolarHBondContact O-CG 3.08Å; V139-R143 PolarHBondContact O-N 3.17Å; V139-R143 VanDerWaalsContact O-N 3.09Å; V139-E177 HydrophobicContact CG1-CG 4.41Å; V139-E177 HydrophobicContact CG2-CB 3.89Å; V139-E177 HydrophobicContact CG2-CG 3.81Å
140L78.1Confident75.7Confident63 Ų6350 Ų5033%0.3325%0.245SC..Hα-helixtrans-62.4-43.1175.5-72.2172.7000111.4I105 K136 E137 I138 R143I105-L140 HydrophobicContact CD1-CB 3.37Å; I105-L140 HydrophobicContact CD1-CD1 4.22Å; I105-L140 HydrophobicContact CD1-CG 4.45Å; K136-L140 WeakPolarHBondContact O-CB 3.23Å; K136-L140 VanDerWaalsContact O-CG 3.28Å; K136-L140 WeakPolarHBondContact O-CG 3.35Å; K136-L140 PolarHBondContact O-N 3.4Å; E137-L140 PolarHBondContact O-N 2.98Å; I138-L140 VanDerWaalsContact C-N 3.32Å; I138-L140 PolarHBondContact O-N 3.38Å; L140-R143 PolarHBondContact O-N 3.47Å
141M77.1Confident77.2Confident4 Ų449.7 Ų49.72%0.0224%0.243CC..Hα-helixtrans-60.8-49174.3-64.316170.500111.5L73 I105 L127 E137 I138 R143 L144 M145L73-M141 HydrophobicContact CB-CE 3.74Å; L73-M141 HydrophobicContact CD1-CE 4.29Å; L73-M141 HydrophobicContact CD2-CB 3.99Å; L73-M141 HydrophobicContact CD2-CE 3.31Å; L73-M141 HydrophobicContact CD2-CG 3.71Å; L73-M141 HydrophobicContact CD2-SD 4.26Å; L73-M141 HydrophobicContact CG-CE 3.95Å; I105-M141 HydrophobicContact CD1-CG 3.68Å; I105-M141 HydrophobicContact CG1-CG 4.48Å; L127-M141 HydrophobicContact CD1-CE 4.48Å; L127-M141 HydrophobicContact CD2-CE 4.07Å; E137-M141 HydrophobicContact CG-SD 4.32Å; E137-M141 VanDerWaalsContact O-CG 3.25Å; E137-M141 WeakPolarHBondContact O-CG 3.08Å; E137-M141 PolarHBondContact O-N 3.45Å; I138-M141 WeakPolarHBondContact O-CB 3.12Å; I138-M141 PolarHBondContact O-N 3.18Å; M141-R143 PolarHBondContact O-N 2.92Å; M141-L144 WeakPolarHBondContact O-CB 2.69Å; M141-L144 PolarHBondContact O-N 3.22Å; M141-M145 HydrophobicContact CB-CE 4.03Å; M141-M145 WeakPolarHBondContact O-CE 3.46Å
142L85.5Confident78.8Confident7 Ų746.3 Ų46.34%0.03723%0.226CC..Hα-helixtrans-63.6-28.9-176.6-70.1177.7000112.5L125 I138 V139 L144 M145 L148 L151 L178 L181L125-L142 HydrophobicContact CD2-CD2 4.04Å; I138-L142 HydrophobicContact CG2-CD1 3.65Å; I138-L142 HydrophobicContact CG2-CG 3.93Å; I138-L142 WeakPolarHBondContact O-CB 3.17Å; I138-L142 WeakPolarHBondContact O-CG 3.39Å; I138-L142 PolarHBondContact O-N 2.93Å; V139-L142 PolarHBondContact O-N 2.92Å; L142-L144 PolarHBondContact O-N 2.84Å; L142-M145 PolarHBondContact O-N 2.99Å; L142-M145 VanDerWaalsContact O-N 3.14Å; L142-L148 HydrophobicContact CD2-CD2 3.57Å; L142-L151 HydrophobicContact CD1-CD2 4.07Å; L142-L151 HydrophobicContact CD2-CD1 4.07Å; L142-L151 HydrophobicContact CD2-CD2 4.04Å; L142-L178 HydrophobicContact CD1-CD2 3.57Å; L142-L181 HydrophobicContact CB-CD1 4.49Å; L142-L181 HydrophobicContact CB-CD2 4.4Å; L142-L181 HydrophobicContact CD1-CD1 4.3Å; L142-L181 HydrophobicContact CD2-CD1 4.3Å
143R84.7Confident80Confident159 Ų15946.1 Ų46.160%0.622%0.224SC*.Hα-helixtrans-63.3-27.6174.4-75.7171.6-173.5179.93.7113.2V139 L140 M141 M145V139-R143 VanDerWaalsContact O-CG 3.3Å; V139-R143 WeakPolarHBondContact O-CG 3.08Å; V139-R143 PolarHBondContact O-N 3.17Å; V139-R143 VanDerWaalsContact O-N 3.09Å; L140-R143 PolarHBondContact O-N 3.47Å; M141-R143 PolarHBondContact O-N 2.92Å; R143-M145 VanDerWaalsContact C-N 3.25Å; R143-M145 PolarHBondContact O-N 3.1Å
144L82.9Confident81Confident60 Ų6043.5 Ų43.531%0.31421%0.205SC..THydrogen-bonded Turntrans-76.2-14177.6-56.4174.1000112.4F119 M141 L142 P146F119-L144 CarbonylContact C-O 3.58Å; F119-L144 HydrophobicContact CB-CB 3.79Å; F119-L144 WeakPolarHBondContact CB-O 3.46Å; F119-L144 HydrophobicContact CD1-CB 4.25Å; F119-L144 HydrophobicContact CD2-CB 4.18Å; F119-L144 HydrophobicContact CD2-CD1 4Å; F119-L144 HydrophobicContact CE2-CD1 3.97Å; F119-L144 HydrophobicContact CG-CB 3.84Å; F119-L144 HydrophobicContact CG-CD1 4.33Å; F119-L144 HydrophobicContact CZ-CD1 4.29Å; M141-L144 WeakPolarHBondContact O-CB 2.69Å; M141-L144 PolarHBondContact O-N 3.22Å; L142-L144 PolarHBondContact O-N 2.84Å; L144-P146 WeakPolarHBondContact O-CD 3.37Å
145M85.9Confident81.1Confident0 Ų041.3 Ų41.30%019%0.193CC..  trans-117.165.8-171.2-62.4176.4-98.500112.4L73 F119 I122 L125 M141 L142 R143 N147 L148L73-M145 HydrophobicContact CD2-CE 4.42Å; F119-M145 HydrophobicContact CB-CG 4.29Å; F119-M145 HydrophobicContact CD1-CG 4.19Å; I122-M145 HydrophobicContact CB-CG 4.06Å; I122-M145 HydrophobicContact CB-SD 3.96Å; I122-M145 HydrophobicContact CD1-CG 4.04Å; I122-M145 HydrophobicContact CD1-SD 3.68Å; I122-M145 HydrophobicContact CG1-SD 4.46Å; I122-M145 HydrophobicContact CG2-CG 4.41Å; I122-M145 HydrophobicContact CG2-SD 3.7Å; L125-M145 HydrophobicContact CD1-SD 4.49Å; L125-M145 HydrophobicContact CD2-CE 3.63Å; L125-M145 HydrophobicContact CD2-SD 3.95Å; M141-M145 HydrophobicContact CB-CE 4.03Å; M141-M145 WeakPolarHBondContact O-CE 3.46Å; L142-M145 PolarHBondContact O-N 2.99Å; L142-M145 VanDerWaalsContact O-N 3.14Å; R143-M145 VanDerWaalsContact C-N 3.25Å; R143-M145 PolarHBondContact O-N 3.1Å; M145-N147 PolarHBondContact O-N 2.88Å; M145-N147 VanDerWaalsContact O-N 3.14Å; M145-L148 HydrophobicContact CB-CB 4.2Å; M145-L148 VanDerWaalsContact O-CB 3.29Å; M145-L148 WeakPolarHBondContact O-CB 3.39Å; M145-L148 PolarHBondContact O-N 3.26Å; M145-L148 VanDerWaalsContact O-N 3.12Å
146P86.8Confident80.8Confident53 Ų5340.2 Ų40.234%0.34419%0.189SC..THydrogen-bonded Turntrans-64-21.6-17627-36.2000113.9V120 L144 N183V120-P146 HydrophobicContact CG2-CG 4.35Å; L144-P146 WeakPolarHBondContact O-CD 3.37Å; P146-N183 PolarHBondContact O-ND2 2.69Å; P146-N183 VanDerWaalsContact O-ND2 3.08Å
147N86.9Confident80.1Confident63 Ų6333.3 Ų33.334%0.33716%0.159SC..THydrogen-bonded Turntrans-93.18179.7-66.8-42.3000113.8V120 I122 M145 K149 N183V120-N147 WeakPolarHBondContact O-CB 3.29Å; V120-N147 PolarHBondContact O-ND2 3.15Å; I122-N147 CarbonylContact O-C 3.26Å; M145-N147 PolarHBondContact O-N 2.88Å; M145-N147 VanDerWaalsContact O-N 3.14Å; N147-K149 PolarHBondContact O-N 3.35Å; N147-N183 PolarHBondContact OD1-ND2 2.74Å
148L89.6Confident79.2Confident0 Ų034.5 Ų34.50%017%0.17CC..  trans-61.6120.6179.6-165.573.5000111.6I122 L125 L142 M145 L151 L181 N183 L184I122-L148 HydrophobicContact CG2-CD1 3.98Å; I122-L148 PolarHBondContact O-N 2.76Å; L125-L148 HydrophobicContact CB-CD1 3.53Å; L125-L148 HydrophobicContact CB-CD2 4.3Å; L142-L148 HydrophobicContact CD2-CD2 3.57Å; M145-L148 HydrophobicContact CB-CB 4.2Å; M145-L148 VanDerWaalsContact O-CB 3.29Å; M145-L148 WeakPolarHBondContact O-CB 3.39Å; M145-L148 PolarHBondContact O-N 3.26Å; M145-L148 VanDerWaalsContact O-N 3.12Å; L148-L151 HydrophobicContact CD2-CB 4.03Å; L148-L151 HydrophobicContact CD2-CD1 4.1Å; L148-L151 HydrophobicContact CD2-CD2 4.47Å; L148-L151 HydrophobicContact CD2-CG 4.41Å; L148-L181 HydrophobicContact CD2-CD1 4.16Å; L148-N183 CarbonylContact O-C 3.24Å; L148-L184 WeakPolarHBondContact O-CA 3.5Å; L148-L184 PolarHBondContact O-N 3.39Å; L148-L184 VanDerWaalsContact O-N 3.1Å
149K90.2Very high77.7Confident104 Ų10437.4 Ų37.445%0.45220%0.2SC..  trans-104.9-34.9-180-67.1172.8-1721710112.4T123 N147 N183 K185 R186T123-K149 HydrophobicContact CG2-CD 4.38Å; T123-K149 WeakPolarHBondContact O-CA 3.43Å; T123-K149 PolarHBondContact O-N 3.38Å; N147-K149 PolarHBondContact O-N 3.35Å; K149-N183 WeakPolarHBondContact CA-O 3.29Å; K149-N183 HydrophobicContact CG-CB 4.27Å; K149-K185 PolarHBondContact O-N 3.47Å; K149-R186 PolarHBondContact O-N 3.03Å
150V87.8Confident76.2Confident32 Ų3239.8 Ų39.819%0.19421%0.208CC..EExtended strand (participates in β ladder)trans-125.4124.7-176.4-175.20000109.3T123 D124 L125 R186T123-V150 PolarHBondContact O-N 2.96Å; D124-V150 WeakPolarHBondContact CA-O 3.35Å; D124-V150 HydrophobicContact CB-CB 4.18Å; D124-V150 VanDerWaalsContact OD2-CB 3.26Å; D124-V150 WeakPolarHBondContact OD2-CB 3.43Å; D124-V150 WeakPolarHBondContact OD2-CG2 3.45Å; L125-V150 PolarHBondContact N-O 3.38Å; V150-R186 WeakPolarHBondContact CA-O 3.38Å; V150-R186 HydrophobicContact CB-CB 4.35Å; V150-R186 HydrophobicContact CG1-CB 4.1Å; V150-R186 HydrophobicContact CG2-CB 4.01Å; V150-R186 HydrophobicContact CG2-CG 4.2Å
151L89.6Confident74.5Confident0 Ų039.9 Ų39.90%022%0.218CC..EExtended strand (participates in β ladder)trans-128.7127.6175.6-179.161.4000110.4L125 L127 L142 L148 L153 L178 L184 R186 L187 I188L125-L151 HydrophobicContact CB-CD1 4.1Å; L125-L151 HydrophobicContact CD2-CD1 3.96Å; L125-L151 HydrophobicContact CG-CD1 4.22Å; L125-L151 WeakPolarHBondContact O-CA 3.14Å; L127-L151 HydrophobicContact CD1-CD1 4.42Å; L127-L151 HydrophobicContact CG-CD1 4.48Å; L142-L151 HydrophobicContact CD1-CD2 4.07Å; L142-L151 HydrophobicContact CD2-CD1 4.07Å; L142-L151 HydrophobicContact CD2-CD2 4.04Å; L148-L151 HydrophobicContact CD2-CB 4.03Å; L148-L151 HydrophobicContact CD2-CD1 4.1Å; L148-L151 HydrophobicContact CD2-CD2 4.47Å; L148-L151 HydrophobicContact CD2-CG 4.41Å; L151-L153 HydrophobicContact CD1-CD2 3.81Å; L151-L153 HydrophobicContact CD1-CG 4.26Å; L151-L153 HydrophobicContact CD2-CD1 3.88Å; L151-L153 HydrophobicContact CD2-CD2 4.03Å; L151-L153 HydrophobicContact CD2-CG 3.87Å; L151-L153 HydrophobicContact CG-CD1 4.39Å; L151-L153 HydrophobicContact CG-CD2 3.94Å; L151-L153 HydrophobicContact CG-CG 3.83Å; L151-L178 HydrophobicContact CD2-CD2 3.44Å; L151-L178 VanDerWaalsContact CD2-CD2 3.44Å; L151-L184 HydrophobicContact CB-CD1 3.66Å; L151-R186 PolarHBondContact N-O 3.32Å; L151-L187 HydrophobicContact CB-CD1 4.2Å; L151-L187 HydrophobicContact CD2-CD1 4.22Å; L151-L187 HydrophobicContact CG-CD1 4.28Å; L151-L187 CarbonylContact O-C 3.58Å; L151-L187 WeakPolarHBondContact O-CA 2.81Å; L151-I188 PolarHBondContact O-N 3.42Å
152N82.6Confident72.7Confident9 Ų949.6 Ų49.65%0.04826%0.26CS..EExtended strand (participates in β ladder)trans-113.8108.8173.5-175.25.2000109.9L125 D126 L127 S128 R154 I188L125-N152 PolarHBondContact O-N 2.99Å; D126-N152 HydrophobicContact CB-CB 4.27Å; D126-N152 VanDerWaalsContact CG-ND2 3.27Å; D126-N152 PolarHBondContact OD1-ND2 3.43Å; D126-N152 VanDerWaalsContact OD1-ND2 3.13Å; D126-N152 PolarHBondContact OD2-ND2 3.13Å; L127-N152 CarbonylContact C-O 3.12Å; L127-N152 VanDerWaalsContact C-O 3.24Å; L127-N152 WeakPolarHBondContact CA-O 3.02Å; L127-N152 PolarHBondContact N-O 2.73Å; S128-N152 WeakPolarHBondContact CB-OD1 3.12Å; S128-N152 PolarHBondContact N-O 3.22Å; S128-N152 PolarHBondContact OG-ND2 3.25Å; N152-R154 VanDerWaalsContact OD1-CB 3.23Å; N152-R154 WeakPolarHBondContact OD1-CB 3.32Å; N152-R154 PolarHBondContact OD1-N 3.1Å; N152-R154 VanDerWaalsContact OD1-N 3.16Å; N152-I188 HydrophobicContact CB-CB 4.19Å; N152-I188 HydrophobicContact CB-CD1 4.27Å; N152-I188 WeakPolarHBondContact OD1-CB 3.4Å; N152-I188 WeakPolarHBondContact OD1-CG2 3.21Å
153L82.1Confident70.4Confident2 Ų254.3 Ų54.31%0.0129%0.293CS..  trans-110.827.1175.5-55.8176.9000111.3L127 W135 L151 H155 W156 L178 L187 I188 V189 N192L127-L153 HydrophobicContact CB-CD2 3.97Å; L127-L153 HydrophobicContact CD1-CD2 3.85Å; L127-L153 HydrophobicContact CG-CD2 4.34Å; W135-L153 HydrophobicContact CH2-CD1 4.13Å; W135-L153 HydrophobicContact CZ3-CD1 3.95Å; L151-L153 HydrophobicContact CD1-CD2 3.81Å; L151-L153 HydrophobicContact CD1-CG 4.26Å; L151-L153 HydrophobicContact CD2-CD1 3.88Å; L151-L153 HydrophobicContact CD2-CD2 4.03Å; L151-L153 HydrophobicContact CD2-CG 3.87Å; L151-L153 HydrophobicContact CG-CD1 4.39Å; L151-L153 HydrophobicContact CG-CD2 3.94Å; L151-L153 HydrophobicContact CG-CG 3.83Å; L153-H155 PolarHBondContact O-N 3.45Å; L153-W156 HydrophobicContact CB-CB 4.15Å; L153-W156 HydrophobicContact CD1-CE3 4.29Å; L153-W156 VanDerWaalsContact O-CB 3.27Å; L153-W156 WeakPolarHBondContact O-CB 3.11Å; L153-W156 PolarHBondContact O-N 3.36Å; L153-L178 HydrophobicContact CD1-CD1 4.06Å; L153-L178 HydrophobicContact CD1-CD2 4.41Å; L153-L187 HydrophobicContact CD1-CD1 4.5Å; L153-I188 CarbonylContact C-O 3.41Å; L153-I188 WeakPolarHBondContact CA-O 3.08Å; L153-I188 PolarHBondContact N-O 2.89Å; L153-V189 HydrophobicContact CB-CG1 4.28Å; L153-N192 PolarHBondContact O-ND2 2.99Å; L153-N192 PolarHBondContact O-OD1 2.9Å
154R74.5Confident68Low30 Ų3050.1 Ų50.111%0.11329%0.287CS..THydrogen-bonded Turntrans-58.6133.7179174.4-169.858156-4.9110.3D34 S128 H129 N152 W156 I188 R190D34-R154 IonicContact OD1-CZ 3.13Å; D34-R154 IonicContact OD1-NH1 2.66Å; D34-R154 PolarHBondContact OD1-NH1 3.21Å; D34-R154 IonicContact OD1-NH2 2.8Å; D34-R154 PolarHBondContact OD1-NH2 3.34Å; D34-R154 IonicContact OD2-CZ 3.69Å; D34-R154 IonicContact OD2-NH1 3.69Å; D34-R154 IonicContact OD2-NH2 2.9Å; D34-R154 PolarHBondContact OD2-NH2 3.37Å; S128-R154 VanDerWaalsContact CA-O 3.25Å; S128-R154 WeakPolarHBondContact CA-O 3.31Å; S128-R154 WeakPolarHBondContact CB-O 3.26Å; S128-R154 PolarHBondContact OG-NH2 3.46Å; S128-R154 VanDerWaalsContact OG-NH2 3.15Å; H129-R154 PolarHBondContact CD2-NH2 3.14Å; H129-R154 VanDerWaalsContact CD2-NH2 3.34Å; H129-R154 PolarHBondContact N-O 3.34Å; H129-R154 PolarHBondContact NE2-NH2 3.12Å; H129-R154 VanDerWaalsContact NE2-NH2 3.12Å; N152-R154 VanDerWaalsContact OD1-CB 3.23Å; N152-R154 WeakPolarHBondContact OD1-CB 3.32Å; N152-R154 PolarHBondContact OD1-N 3.1Å; N152-R154 VanDerWaalsContact OD1-N 3.16Å; R154-W156 PolarHBondContact O-N 3.2Å; R154-I188 HydrophobicContact CB-CG2 4.15Å; R154-I188 PolarHBondContact N-O 2.99Å; R154-R190 VanDerWaalsContact CA-O 3.3Å; R154-R190 WeakPolarHBondContact CA-O 3.22Å; R154-R190 HydrophobicContact CG-CB 4.17Å; R154-R190 VanDerWaalsContact CG-O 3.28Å; R154-R190 WeakPolarHBondContact CG-O 3.42Å
155H66.6Low66.2Low24 Ų2453.6 Ų53.611%0.11131%0.311CS..THydrogen-bonded Turntrans63.82.5-176.6-65-86.8000117.5H129 L153 L157 T158 R190 R191 N192H129-H155 AromaticContact CD2-CD2 3.95Å; H129-H155 AromaticContact CE1-CD2 3.03Å; H129-H155 PolarHBondContact CE1-CD2 3.4Å; H129-H155 AromaticContact CE1-CG 3.97Å; H129-H155 AromaticContact CE1-NE2 3.22Å; H129-H155 PolarHBondContact CE1-NE2 2.92Å; H129-H155 AromaticContact CG-CD2 3.85Å; H129-H155 AromaticContact ND1-CD2 3.28Å; H129-H155 PolarHBondContact ND1-CD2 3.11Å; H129-H155 VanDerWaalsContact ND1-CD2 3.28Å; H129-H155 AromaticContact ND1-CG 3.81Å; H129-H155 AromaticContact ND1-NE2 3.77Å; H129-H155 AromaticContact NE2-CD2 3.47Å; H129-H155 PolarHBondContact NE2-CD2 2.97Å; H129-H155 AromaticContact NE2-NE2 3.88Å; L153-H155 PolarHBondContact O-N 3.45Å; H155-L157 PolarHBondContact O-N 3.41Å; H155-L157 VanDerWaalsContact O-N 3.1Å; H155-T158 HydrophobicContact CB-CG2 4.26Å; H155-T158 PolarHBondContact O-N 2.83Å; H155-T158 PolarHBondContact O-OG1 2.99Å; H155-R190 PolarHBondContact N-O 3.14Å; H155-R190 VanDerWaalsContact N-O 3.07Å; H155-R191 WeakPolarHBondContact CE1-CD 3.4Å; H155-R191 WeakPolarHBondContact ND1-CB 3.39Å; H155-R191 VanDerWaalsContact NE2-CD 3.28Å; H155-R191 WeakPolarHBondContact NE2-CD 3.4Å; H155-R191 PolarHBondContact NE2-NH1 3.25Å; H155-N192 VanDerWaalsContact C-OD1 3.27Å
156W66Low64.3Low15 Ų1558.1 Ų58.16%0.05734%0.339CS..G310 helixtrans-50.2-39.8-177.7166.547.3000113.4V132 W135 I138 L153 R154 C174 N192V132-W156 VanDerWaalsContact O-CD1 3.3Å; V132-W156 PolarHBondContact O-NE1 3.24Å; V132-W156 VanDerWaalsContact O-NE1 3.16Å; W135-W156 HydrophobicContact CB-CH2 3.84Å; W135-W156 HydrophobicContact CB-CZ2 3.61Å; W135-W156 AromaticContact CD2-CH2 3.35Å; W135-W156 HydrophobicContact CD2-CH2 3.35Å; W135-W156 AromaticContact CD2-CZ2 3.75Å; W135-W156 HydrophobicContact CD2-CZ2 3.75Å; W135-W156 HydrophobicContact CD2-CZ3 4.1Å; W135-W156 HydrophobicContact CE3-CD2 4.28Å; W135-W156 AromaticContact CE3-CE2 3.8Å; W135-W156 HydrophobicContact CE3-CE3 4.08Å; W135-W156 AromaticContact CE3-CH2 2.93Å; W135-W156 HydrophobicContact CE3-CH2 2.93Å; W135-W156 AromaticContact CE3-CZ2 3.16Å; W135-W156 HydrophobicContact CE3-CZ2 3.16Å; W135-W156 AromaticContact CE3-CZ3 3.42Å; W135-W156 HydrophobicContact CE3-CZ3 3.42Å; W135-W156 VanDerWaalsContact CE3-CZ3 3.42Å; W135-W156 AromaticContact CG-CH2 3.76Å; W135-W156 HydrophobicContact CG-CH2 3.76Å; W135-W156 AromaticContact CG-CZ2 3.98Å; W135-W156 HydrophobicContact CG-CZ2 3.98Å; W135-W156 HydrophobicContact CH2-CH2 4.49Å; W135-W156 HydrophobicContact CH2-CZ3 4.3Å; W135-W156 HydrophobicContact CZ3-CD2 4.37Å; W135-W156 AromaticContact CZ3-CE3 3.93Å; W135-W156 HydrophobicContact CZ3-CE3 3.93Å; W135-W156 AromaticContact CZ3-CH2 3.56Å; W135-W156 HydrophobicContact CZ3-CH2 3.56Å; W135-W156 HydrophobicContact CZ3-CZ2 4Å; W135-W156 AromaticContact CZ3-CZ3 3.49Å; W135-W156 HydrophobicContact CZ3-CZ3 3.49Å; W135-W156 VanDerWaalsContact CZ3-CZ3 3.49Å; I138-W156 VanDerWaalsContact CD1-CD1 3.43Å; I138-W156 HydrophobicContact CD1-CD2 3.95Å; I138-W156 HydrophobicContact CD1-CG 3.96Å; I138-W156 HydrophobicContact CD1-CZ2 4.28Å; L153-W156 HydrophobicContact CB-CB 4.15Å; L153-W156 HydrophobicContact CD1-CE3 4.29Å; L153-W156 VanDerWaalsContact O-CB 3.27Å; L153-W156 WeakPolarHBondContact O-CB 3.11Å; L153-W156 PolarHBondContact O-N 3.36Å; R154-W156 PolarHBondContact O-N 3.2Å; W156-C174 HydrophobicContact CH2-CB 4.3Å; W156-C174 HydrophobicContact CZ3-CB 4.17Å; W156-N192 PolarHBondContact N-OD1 3.47Å
157L57.7Low62.3Low6 Ų660.1 Ų60.13%0.03134%0.342CS..G310 helixtrans-92.75.4-173.5-80.2160.8000115.8H155 G159 Y160 L171 N192 P193 I194H155-L157 PolarHBondContact O-N 3.41Å; H155-L157 VanDerWaalsContact O-N 3.1Å; L157-G159 PolarHBondContact O-N 3.1Å; L157-G159 VanDerWaalsContact O-N 3.09Å; L157-Y160 HydrophobicContact CD2-CD2 4.02Å; L157-Y160 HydrophobicContact CD2-CG 4.13Å; L157-Y160 PolarHBondContact O-N 3.3Å; L157-L171 HydrophobicContact CD1-CD1 3.6Å; L157-L171 HydrophobicContact CD2-CD1 3.94Å; L157-L171 HydrophobicContact CG-CD1 4.41Å; L157-N192 HydrophobicContact CB-CB 4.18Å; L157-N192 HydrophobicContact CD1-CB 4.14Å; L157-N192 PolarHBondContact N-OD1 3.29Å; L157-P193 HydrophobicContact CB-CG 4.35Å; L157-P193 WeakPolarHBondContact O-CG 3Å; L157-I194 HydrophobicContact CD1-CD1 3.31Å; L157-I194 HydrophobicContact CD1-CG1 3.16Å
158T50.6Low60.4Low81 Ų8162.9 Ų62.950%0.49735%0.349SS..G310 helixtrans-61.5-20.7-177.647.30000113.5H155H155-T158 HydrophobicContact CB-CG2 4.26Å; H155-T158 PolarHBondContact O-N 2.83Å; H155-T158 PolarHBondContact O-OG1 2.99Å
159G45.8Very low58.4Low61 Ų6170.6 Ų70.663%0.62938%0.383SS*.G310 helixtrans-79.6-22.517300000115.9L157L157-G159 PolarHBondContact O-N 3.1Å; L157-G159 VanDerWaalsContact O-N 3.09Å
160Y49.2Very low56.7Low63 Ų6372.2 Ų72.225%0.24739%0.387CS..G310 helixtrans-87.2-11.3-174.7-81.7-94.9000114.5V133 D134 L157 F162 F167V133-Y160 HydrophobicContact CB-CE2 4.32Å; V133-Y160 HydrophobicContact CG1-CD2 4.41Å; V133-Y160 HydrophobicContact CG1-CE2 3.44Å; V133-Y160 VanDerWaalsContact CG1-CE2 3.44Å; V133-Y160 WeakPolarHBondContact CG1-OH 3.26Å; V133-Y160 WeakPolarHBondContact O-CE2 3.16Å; V133-Y160 VanDerWaalsContact O-CZ 3.24Å; V133-Y160 PolarHBondContact O-OH 2.9Å; D134-Y160 WeakPolarHBondContact CA-OH 3.44Å; L157-Y160 HydrophobicContact CD2-CD2 4.02Å; L157-Y160 HydrophobicContact CD2-CG 4.13Å; L157-Y160 PolarHBondContact O-N 3.3Å; Y160-F162 PolarHBondContact O-N 3.43Å; Y160-F167 HydrophobicContact CD1-CD1 4.38Å; Y160-F167 AromaticContact CD1-CE1 3.83Å; Y160-F167 HydrophobicContact CD1-CE1 3.83Å; Y160-F167 HydrophobicContact CD1-CZ 4.23Å; Y160-F167 HydrophobicContact CE1-CE1 4.12Å; Y160-F167 HydrophobicContact CE1-CZ 4.27Å
161A43.1Very low55.6Low65 Ų6571.8 Ų71.854%0.53738%0.383SS..G310 helixtrans-66.6-6.7-173.900000114.8P193A161-P193 HydrophobicContact CB-CB 4.32Å; A161-P193 HydrophobicContact CB-CG 3.91Å
162F39.4Very low55.1Low207 Ų20773.6 Ų73.691%0.90839%0.39SS*.G310 helixtrans-107.5-7.2-173.8-95.8-88.4000116.3Y160Y160-F162 PolarHBondContact O-N 3.43Å
163C35.9Very low54.9Low107 Ų10775.4 Ų75.472%0.72340%0.401SS*.SBendtrans-110.5-19.7-163.1-154.40000118.2
164C35.6Very low54.9Low70 Ų7075.6 Ų75.647%0.47340%0.403SS..  trans-163.9128.1179.8-1110000114.2T166 F167C164-T166 PolarHBondContact O-N 2.93Å; C164-T166 PolarHBondContact SG-OG1 3.45Å; C164-F167 HydrophobicContact CB-CD2 3.73Å; C164-F167 WeakPolarHBondContact O-CB 3.2Å; C164-F167 PolarHBondContact O-N 3.04Å
165T43.6Very low55.6Low133 Ų13374.2 Ų74.282%0.81640%0.398SS*.G310 helixtrans-62.9-19.216940.20000113F167T165-F167 VanDerWaalsContact C-N 3.31Å; T165-F167 PolarHBondContact O-N 3.14Å
166T46.1Very low56.6Low95 Ų9573.5 Ų73.558%0.58340%0.395SS*.G310 helixtrans-77.6-7175.614.10000114.5C164 Y170C164-T166 PolarHBondContact O-N 2.93Å; C164-T166 PolarHBondContact SG-OG1 3.45Å; T166-Y170 WeakPolarHBondContact O-CD2 3.35Å
167F46.6Very low57.7Low95 Ų9574.8 Ų74.842%0.41740%0.401SS..G310 helixtrans-82.9-18.5-174.2-110.9-101.2000115.1Y160 C164 T165 F169 Y170 L171Y160-F167 HydrophobicContact CD1-CD1 4.38Å; Y160-F167 AromaticContact CD1-CE1 3.83Å; Y160-F167 HydrophobicContact CD1-CE1 3.83Å; Y160-F167 HydrophobicContact CD1-CZ 4.23Å; Y160-F167 HydrophobicContact CE1-CE1 4.12Å; Y160-F167 HydrophobicContact CE1-CZ 4.27Å; C164-F167 HydrophobicContact CB-CD2 3.73Å; C164-F167 WeakPolarHBondContact O-CB 3.2Å; C164-F167 PolarHBondContact O-N 3.04Å; T165-F167 VanDerWaalsContact C-N 3.31Å; T165-F167 PolarHBondContact O-N 3.14Å; F167-F169 PolarHBondContact O-N 2.94Å; F167-Y170 PolarHBondContact O-N 3.26Å; F167-L171 PolarHBondContact O-N 2.85Å
168Y45.4Very low59.3Low122 Ų12274.6 Ų74.648%0.47840%0.4SS..THydrogen-bonded Turntrans-60.2-34.1-177-75.4-76.9000113.1
169F47.6Very low61.3Low162 Ų16271.6 Ų71.671%0.71138%0.381SS*.THydrogen-bonded Turntrans-69.3-35.2176.1-95.9-86.2000113.1F167 L171F167-F169 PolarHBondContact O-N 2.94Å; F169-L171 VanDerWaalsContact C-N 3.3Å; F169-L171 PolarHBondContact O-N 2.89Å
170Y55.9Low63.5Low137 Ų13774.8 Ų74.854%0.53738%0.378SS..G310 helixtrans-81-14.8-178.2-67.7-79000113.2T166 F167 W172 V173T166-Y170 WeakPolarHBondContact O-CD2 3.35Å; F167-Y170 PolarHBondContact O-N 3.26Å; Y170-W172 PolarHBondContact O-N 2.84Å; Y170-V173 VanDerWaalsContact O-CB 3.27Å; Y170-V173 WeakPolarHBondContact O-CB 3.37Å; Y170-V173 WeakPolarHBondContact O-CG2 3.4Å; Y170-V173 PolarHBondContact O-N 3.28Å; Y170-V173 VanDerWaalsContact O-N 3.11Å
171L63.8Low65.6Low24 Ų2472.4 Ų72.413%0.12637%0.369CS..G310 helixtrans-66.6-27.8-173.5-15854.2000113L157 F167 F169 C174 I194L157-L171 HydrophobicContact CD1-CD1 3.6Å; L157-L171 HydrophobicContact CD2-CD1 3.94Å; L157-L171 HydrophobicContact CG-CD1 4.41Å; F167-L171 PolarHBondContact O-N 2.85Å; F169-L171 VanDerWaalsContact C-N 3.3Å; F169-L171 PolarHBondContact O-N 2.89Å; L171-C174 PolarHBondContact O-SG 3.41Å; L171-I194 HydrophobicContact CD1-CD1 4.17Å; L171-I194 HydrophobicContact CD1-CG1 3.79Å; L171-I194 VanDerWaalsContact CD2-CA 3.4Å; L171-I194 HydrophobicContact CD2-CB 3.93Å; L171-I194 HydrophobicContact CD2-CG1 3.82Å; L171-I194 HydrophobicContact CD2-CG2 4.14Å; L171-I194 HydrophobicContact CG-CB 4.04Å; L171-I194 HydrophobicContact CG-CD1 4.07Å; L171-I194 HydrophobicContact CG-CG1 3.57Å; L171-I194 HydrophobicContact CG-CG2 4Å
172W78.2Confident67.8Low38 Ų3872.6 Ų72.614%0.14437%0.365CS..G310 helixtrans-79.9-18.7176.9-71.299000114.1Y170 C174 F175 I194 L198 F206 I207 K210Y170-W172 PolarHBondContact O-N 2.84Å; W172-C174 PolarHBondContact O-N 3.39Å; W172-F175 AromaticContact CE3-CD2 3.58Å; W172-F175 HydrophobicContact CE3-CD2 3.58Å; W172-F175 AromaticContact CE3-CE2 3.88Å; W172-F175 HydrophobicContact CE3-CE2 3.88Å; W172-F175 AromaticContact CZ3-CD2 3.88Å; W172-F175 HydrophobicContact CZ3-CD2 3.88Å; W172-F175 AromaticContact CZ3-CE2 3.85Å; W172-F175 HydrophobicContact CZ3-CE2 3.85Å; W172-F175 PolarHBondContact O-N 2.98Å; W172-F175 VanDerWaalsContact O-N 3.15Å; W172-I194 HydrophobicContact CH2-CG2 4.42Å; W172-I194 HydrophobicContact CZ2-CG2 4.23Å; W172-L198 HydrophobicContact CZ2-CD1 3.69Å; W172-F206 HydrophobicContact CE3-CB 4.13Å; W172-F206 HydrophobicContact CH2-CB 3.44Å; W172-F206 VanDerWaalsContact CH2-CB 3.44Å; W172-F206 HydrophobicContact CH2-CD2 4.01Å; W172-F206 HydrophobicContact CH2-CG 4.22Å; W172-F206 HydrophobicContact CZ2-CB 4.24Å; W172-F206 AromaticContact CZ2-CD2 3.95Å; W172-F206 HydrophobicContact CZ2-CD2 3.95Å; W172-F206 HydrophobicContact CZ3-CB 3.36Å; W172-F206 HydrophobicContact CZ3-CD2 4.36Å; W172-F206 HydrophobicContact CZ3-CG 4.41Å; W172-I207 HydrophobicContact CH2-CG1 4.27Å; W172-I207 HydrophobicContact CZ3-CG1 3.83Å; W172-K210 HydrophobicContact CB-CD 4.44Å; W172-K210 HydrophobicContact CE3-CD 4.03Å
173V80.2Confident70.4Confident46 Ų4665.2 Ų65.228%0.27934%0.335SS..Hα-helixtrans-61.6-28.3176.8-179.30000110.9Y170 F175 D176 E177Y170-V173 VanDerWaalsContact O-CB 3.27Å; Y170-V173 WeakPolarHBondContact O-CB 3.37Å; Y170-V173 WeakPolarHBondContact O-CG2 3.4Å; Y170-V173 PolarHBondContact O-N 3.28Å; Y170-V173 VanDerWaalsContact O-N 3.11Å; V173-F175 VanDerWaalsContact C-N 3.29Å; V173-F175 PolarHBondContact O-N 2.94Å; V173-D176 WeakPolarHBondContact CA-OD2 3.35Å; V173-D176 WeakPolarHBondContact O-CB 3.47Å; V173-D176 PolarHBondContact O-N 3.07Å; V173-D176 VanDerWaalsContact O-N 3.09Å; V173-E177 PolarHBondContact O-N 3.15Å; V173-E177 VanDerWaalsContact O-N 3.16Å
174C81.2Confident73.2Confident6 Ų660.1 Ų60.14%0.04130%0.301CS..Hα-helixtrans-59.2-40.6176.575.60000112.1W135 W156 L171 W172 D176 E177 L178W135-C174 HydrophobicContact CD2-CB 3.97Å; W135-C174 HydrophobicContact CE3-CB 4.45Å; W135-C174 HydrophobicContact CH2-CB 3.84Å; W135-C174 HydrophobicContact CZ2-CB 3.36Å; W135-C174 WeakPolarHBondContact CZ2-O 3.25Å; W135-C174 HydrophobicContact CZ3-CB 4.36Å; W156-C174 HydrophobicContact CH2-CB 4.3Å; W156-C174 HydrophobicContact CZ3-CB 4.17Å; L171-C174 PolarHBondContact O-SG 3.41Å; W172-C174 PolarHBondContact O-N 3.39Å; C174-D176 VanDerWaalsContact C-N 3.27Å; C174-D176 PolarHBondContact O-N 2.87Å; C174-E177 PolarHBondContact O-N 3.09Å; C174-L178 WeakPolarHBondContact O-CG 3.44Å; C174-L178 PolarHBondContact O-N 3.15Å
175F88.5Confident75.9Confident1 Ų159.4 Ų59.40%0.00429%0.29CS..Hα-helixtrans-71.2-25178.5-61-72.6000112.8W172 V173 L178 N179 L187 V189 I194 I207 K210 V211W172-F175 AromaticContact CE3-CD2 3.58Å; W172-F175 HydrophobicContact CE3-CD2 3.58Å; W172-F175 AromaticContact CE3-CE2 3.88Å; W172-F175 HydrophobicContact CE3-CE2 3.88Å; W172-F175 AromaticContact CZ3-CD2 3.88Å; W172-F175 HydrophobicContact CZ3-CD2 3.88Å; W172-F175 AromaticContact CZ3-CE2 3.85Å; W172-F175 HydrophobicContact CZ3-CE2 3.85Å; W172-F175 PolarHBondContact O-N 2.98Å; W172-F175 VanDerWaalsContact O-N 3.15Å; V173-F175 VanDerWaalsContact C-N 3.29Å; V173-F175 PolarHBondContact O-N 2.94Å; F175-L178 HydrophobicContact CD1-CD1 3.98Å; F175-L178 HydrophobicContact CE1-CD1 4.42Å; F175-L178 PolarHBondContact O-N 3.23Å; F175-N179 WeakPolarHBondContact O-CB 3.19Å; F175-N179 PolarHBondContact O-N 2.82Å; F175-L187 HydrophobicContact CD1-CD2 4.23Å; F175-L187 HydrophobicContact CE1-CD2 4.08Å; F175-V189 HydrophobicContact CE1-CG1 4.12Å; F175-V189 HydrophobicContact CE1-CG2 4.48Å; F175-I194 HydrophobicContact CE2-CD1 3.65Å; F175-I194 HydrophobicContact CE2-CG2 3.84Å; F175-I194 HydrophobicContact CZ-CD1 3.68Å; F175-I194 HydrophobicContact CZ-CG2 4.35Å; F175-I207 HydrophobicContact CD1-CB 4.46Å; F175-I207 HydrophobicContact CD1-CG1 4.12Å; F175-I207 HydrophobicContact CD1-CG2 3.84Å; F175-I207 HydrophobicContact CD2-CG1 4.32Å; F175-I207 HydrophobicContact CE1-CB 4.34Å; F175-I207 HydrophobicContact CE1-CD1 3.95Å; F175-I207 HydrophobicContact CE1-CG1 3.67Å; F175-I207 HydrophobicContact CE1-CG2 3.78Å; F175-I207 HydrophobicContact CE2-CD1 4.39Å; F175-I207 HydrophobicContact CE2-CG1 3.89Å; F175-I207 HydrophobicContact CG-CG1 4.42Å; F175-I207 HydrophobicContact CZ-CD1 3.69Å; F175-I207 HydrophobicContact CZ-CG1 3.54Å; F175-K210 HydrophobicContact CB-CB 3.92Å; F175-K210 HydrophobicContact CB-CD 4.18Å; F175-V211 HydrophobicContact CB-CG2 4.15Å; F175-V211 HydrophobicContact CD1-CG2 4.27Å
176D88.4Confident78.2Confident10 Ų1058.9 Ų58.95%0.05327%0.273CS..Hα-helixtrans-69.2-39.5173.4-60.2-49.6000111.2V173 C174 N179 K210 P281V173-D176 WeakPolarHBondContact CA-OD2 3.35Å; V173-D176 WeakPolarHBondContact O-CB 3.47Å; V173-D176 PolarHBondContact O-N 3.07Å; V173-D176 VanDerWaalsContact O-N 3.09Å; C174-D176 VanDerWaalsContact C-N 3.27Å; C174-D176 PolarHBondContact O-N 2.87Å; D176-N179 WeakPolarHBondContact O-CB 3.49Å; D176-N179 PolarHBondContact O-N 2.94Å; D176-K210 IonicContact OD1-NZ 3.38Å; D176-K210 PolarHBondContact OD1-NZ 3.31Å; D176-K210 IonicContact OD2-NZ 3.92Å; D176-K210 PolarHBondContact OD2-NZ 3.05Å; D176-P281 HydrophobicContact CB-CG 4.26Å
177E88Confident80.3Confident42 Ų4254.4 Ų54.420%0.19625%0.245CC..Hα-helixtrans-65.7-40.7171.4-65.1-60.3135.500111.5W135 V139 V173 C174 N179 K180W135-E177 HydrophobicContact CZ2-CB 3.98Å; V139-E177 HydrophobicContact CG1-CG 4.41Å; V139-E177 HydrophobicContact CG2-CB 3.89Å; V139-E177 HydrophobicContact CG2-CG 3.81Å; V173-E177 PolarHBondContact O-N 3.15Å; V173-E177 VanDerWaalsContact O-N 3.16Å; C174-E177 PolarHBondContact O-N 3.09Å; E177-N179 VanDerWaalsContact C-N 3.27Å; E177-N179 PolarHBondContact O-N 3.41Å; E177-K180 VanDerWaalsContact O-CB 3.29Å; E177-K180 WeakPolarHBondContact O-CB 3.39Å; E177-K180 PolarHBondContact O-N 2.67Å; E177-K180 VanDerWaalsContact O-N 3.1Å; E177-K180 WeakPolarHBondContact OE1-CE 3.5Å; E177-K180 IonicContact OE1-NZ 3.28Å; E177-K180 PolarHBondContact OE1-NZ 3.37Å; E177-K180 WeakPolarHBondContact OE2-CE 3.49Å; E177-K180 IonicContact OE2-NZ 3.49Å; E177-K180 PolarHBondContact OE2-NZ 3.15Å
178L91.8Very high82.3Confident1 Ų151.1 Ų51.11%0.00523%0.231CC..Hα-helixtrans-63.3-32.4174.7-66.9-177.9000112.9W135 L142 L151 L153 C174 F175 K180 L181 L184 L187 V211W135-L178 HydrophobicContact CH2-CD1 4.42Å; W135-L178 HydrophobicContact CH2-CD2 3.86Å; W135-L178 HydrophobicContact CH2-CG 3.96Å; W135-L178 HydrophobicContact CZ2-CD2 4.47Å; W135-L178 HydrophobicContact CZ2-CG 4.33Å; L142-L178 HydrophobicContact CD1-CD2 3.57Å; L151-L178 HydrophobicContact CD2-CD2 3.44Å; L151-L178 VanDerWaalsContact CD2-CD2 3.44Å; L153-L178 HydrophobicContact CD1-CD1 4.06Å; L153-L178 HydrophobicContact CD1-CD2 4.41Å; C174-L178 WeakPolarHBondContact O-CG 3.44Å; C174-L178 PolarHBondContact O-N 3.15Å; F175-L178 HydrophobicContact CD1-CD1 3.98Å; F175-L178 HydrophobicContact CE1-CD1 4.42Å; F175-L178 PolarHBondContact O-N 3.23Å; L178-K180 PolarHBondContact O-N 3.09Å; L178-L181 HydrophobicContact CD2-CD1 4.23Å; L178-L181 WeakPolarHBondContact O-CB 3.48Å; L178-L181 PolarHBondContact O-N 3.33Å; L178-L181 VanDerWaalsContact O-N 3.13Å; L178-L184 HydrophobicContact CB-CD2 4.13Å; L178-L187 HydrophobicContact CD1-CD1 3.98Å; L178-L187 HydrophobicContact CD1-CD2 3.9Å; L178-V211 HydrophobicContact CB-CG2 4.37Å
179N93.4Very high84.1Confident19 Ų1945.6 Ų45.610%0.10221%0.21CC..THydrogen-bonded Turntrans-66.6-16.6176.3-178.366.4000113.1F175 D176 E177 L181 K210 R212F175-N179 WeakPolarHBondContact O-CB 3.19Å; F175-N179 PolarHBondContact O-N 2.82Å; D176-N179 WeakPolarHBondContact O-CB 3.49Å; D176-N179 PolarHBondContact O-N 2.94Å; E177-N179 VanDerWaalsContact C-N 3.27Å; E177-N179 PolarHBondContact O-N 3.41Å; N179-L181 PolarHBondContact O-N 3.49Å; N179-K210 VanDerWaalsContact CB-O 3.23Å; N179-K210 WeakPolarHBondContact CB-O 3.3Å; N179-K210 PolarHBondContact OD1-O 3.34Å; N179-R212 WeakPolarHBondContact OD1-CB 3.46Å; N179-R212 WeakPolarHBondContact OD1-CG 3.43Å; N179-R212 PolarHBondContact OD1-N 2.91Å; N179-R212 PolarHBondContact OD1-NE 2.93Å
180K92.4Very high85.5Confident128 Ų12842.4 Ų42.456%0.55719%0.194SC*.THydrogen-bonded Turntrans-72.6-15.2173.5-58.4178.3-174.6171.90112.8E177 L178 P182E177-K180 VanDerWaalsContact O-CB 3.29Å; E177-K180 WeakPolarHBondContact O-CB 3.39Å; E177-K180 PolarHBondContact O-N 2.67Å; E177-K180 VanDerWaalsContact O-N 3.1Å; E177-K180 WeakPolarHBondContact OE1-CE 3.5Å; E177-K180 IonicContact OE1-NZ 3.28Å; E177-K180 PolarHBondContact OE1-NZ 3.37Å; E177-K180 WeakPolarHBondContact OE2-CE 3.49Å; E177-K180 IonicContact OE2-NZ 3.49Å; E177-K180 PolarHBondContact OE2-NZ 3.15Å; L178-K180 PolarHBondContact O-N 3.09Å; K180-P182 VanDerWaalsContact O-CD 3.25Å; K180-P182 WeakPolarHBondContact O-CD 3.39Å
181L92.5Very high86.1Confident13 Ų1340.7 Ų40.77%0.06819%0.186CC..  trans-79.8107.3175.7-63170.7000110L142 L148 L178 N179 N183 L184L142-L181 HydrophobicContact CB-CD1 4.49Å; L142-L181 HydrophobicContact CB-CD2 4.4Å; L142-L181 HydrophobicContact CD1-CD1 4.3Å; L142-L181 HydrophobicContact CD2-CD1 4.3Å; L148-L181 HydrophobicContact CD2-CD1 4.16Å; L178-L181 HydrophobicContact CD2-CD1 4.23Å; L178-L181 WeakPolarHBondContact O-CB 3.48Å; L178-L181 PolarHBondContact O-N 3.33Å; L178-L181 VanDerWaalsContact O-N 3.13Å; N179-L181 PolarHBondContact O-N 3.49Å; L181-N183 PolarHBondContact O-N 3.13Å; L181-L184 HydrophobicContact CB-CB 3.77Å; L181-L184 HydrophobicContact CD1-CB 4.42Å; L181-L184 HydrophobicContact CD1-CD2 4.15Å; L181-L184 PolarHBondContact O-N 3.19Å
182P90.1Very high86.4Confident68 Ų6840 Ų4044%0.44218%0.183SC..THydrogen-bonded Turntrans-66.5-29.8-171.626.8-34.5000112.5K180 N213K180-P182 VanDerWaalsContact O-CD 3.25Å; K180-P182 WeakPolarHBondContact O-CD 3.39Å; P182-N213 PolarHBondContact O-ND2 2.88Å
183N92.7Very high85.7Confident53 Ų5339.7 Ų39.728%0.28319%0.186SC..THydrogen-bonded Turntrans-98.1-4.8-173.5-68.7-50.8000114P146 N147 L148 K149 L181 K185P146-N183 PolarHBondContact O-ND2 2.69Å; P146-N183 VanDerWaalsContact O-ND2 3.08Å; N147-N183 PolarHBondContact OD1-ND2 2.74Å; L148-N183 CarbonylContact O-C 3.24Å; K149-N183 WeakPolarHBondContact CA-O 3.29Å; K149-N183 HydrophobicContact CG-CB 4.27Å; L181-N183 PolarHBondContact O-N 3.13Å; N183-K185 VanDerWaalsContact O-CG 3.28Å; N183-K185 WeakPolarHBondContact O-CG 3.42Å; N183-K185 PolarHBondContact O-N 3.35Å
184L94.5Very high84.9Confident0 Ų037.7 Ų37.70%017%0.173CC..  trans-64.5108.5-176.4-176.166.9000110.8L148 L151 L178 L181 V211 N213L148-L184 WeakPolarHBondContact O-CA 3.5Å; L148-L184 PolarHBondContact O-N 3.39Å; L148-L184 VanDerWaalsContact O-N 3.1Å; L151-L184 HydrophobicContact CB-CD1 3.66Å; L178-L184 HydrophobicContact CB-CD2 4.13Å; L181-L184 HydrophobicContact CB-CB 3.77Å; L181-L184 HydrophobicContact CD1-CB 4.42Å; L181-L184 HydrophobicContact CD1-CD2 4.15Å; L181-L184 PolarHBondContact O-N 3.19Å; L184-V211 HydrophobicContact CD2-CG1 4.19Å; L184-N213 CarbonylContact O-C 3.5Å; L184-N213 WeakPolarHBondContact O-CB 3.21Å
185K92.4Very high83.8Confident55 Ų5539.5 Ų39.524%0.23919%0.186CC..  trans-111.4-26.6-179.3-58.1-42178.6-166.30112.7K149 N183 N213 K215 V216K149-K185 PolarHBondContact O-N 3.47Å; N183-K185 VanDerWaalsContact O-CG 3.28Å; N183-K185 WeakPolarHBondContact O-CG 3.42Å; N183-K185 PolarHBondContact O-N 3.35Å; K185-N213 HydrophobicContact CD-CB 4.24Å; K185-N213 WeakPolarHBondContact CD-O 2.81Å; K185-N213 PolarHBondContact NZ-OD1 2.71Å; K185-K215 HydrophobicContact CB-CB 4.33Å; K185-K215 HydrophobicContact CB-CD 4.25Å; K185-K215 HydrophobicContact CB-CG 4.2Å; K185-K215 HydrophobicContact CD-CD 4.34Å; K185-K215 HydrophobicContact CD-CG 4.3Å; K185-K215 HydrophobicContact CG-CD 4.26Å; K185-K215 HydrophobicContact CG-CG 4.49Å; K185-K215 WeakPolarHBondContact O-CA 3.47Å; K185-K215 PolarHBondContact O-N 2.75Å; K185-V216 PolarHBondContact O-N 2.92Å
186R91.7Very high82.6Confident122 Ų12243.5 Ų43.546%0.4621%0.214SC..EExtended strand (participates in β ladder)trans-127.5125.8-178.6-53.3-173.1176.6-105-5.9110.1K149 V150 L151 V216K149-R186 PolarHBondContact O-N 3.03Å; V150-R186 WeakPolarHBondContact CA-O 3.38Å; V150-R186 HydrophobicContact CB-CB 4.35Å; V150-R186 HydrophobicContact CG1-CB 4.1Å; V150-R186 HydrophobicContact CG2-CB 4.01Å; V150-R186 HydrophobicContact CG2-CG 4.2Å; L151-R186 PolarHBondContact N-O 3.32Å; R186-V216 WeakPolarHBondContact CA-O 3.4Å; R186-V216 HydrophobicContact CB-CB 4.29Å; R186-V216 HydrophobicContact CG-CB 3.97Å; R186-V216 HydrophobicContact CG-CG2 4.16Å; R186-V216 VanDerWaalsContact NH1-CG2 3.31Å
187L91.9Very high81.6Confident1 Ų146.2 Ų46.21%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-128.9132.8-179.2-179.462.6000110L151 L153 F175 L178 V189 I207 L214 V216 L217 N218L151-L187 HydrophobicContact CB-CD1 4.2Å; L151-L187 HydrophobicContact CD2-CD1 4.22Å; L151-L187 HydrophobicContact CG-CD1 4.28Å; L151-L187 CarbonylContact O-C 3.58Å; L151-L187 WeakPolarHBondContact O-CA 2.81Å; L153-L187 HydrophobicContact CD1-CD1 4.5Å; F175-L187 HydrophobicContact CD1-CD2 4.23Å; F175-L187 HydrophobicContact CE1-CD2 4.08Å; L178-L187 HydrophobicContact CD1-CD1 3.98Å; L178-L187 HydrophobicContact CD1-CD2 3.9Å; L187-V189 HydrophobicContact CD1-CG1 3.84Å; L187-V189 HydrophobicContact CD2-CG1 3.98Å; L187-V189 HydrophobicContact CG-CG1 3.79Å; L187-I207 HydrophobicContact CD2-CG2 4.09Å; L187-L214 HydrophobicContact CB-CD1 3.43Å; L187-L214 VanDerWaalsContact CB-CD1 3.43Å; L187-L214 HydrophobicContact CB-CD2 4.36Å; L187-V216 PolarHBondContact N-O 3.16Å; L187-L217 HydrophobicContact CB-CD1 4.38Å; L187-L217 HydrophobicContact CD2-CD1 4.35Å; L187-L217 HydrophobicContact CG-CD1 4.38Å; L187-L217 CarbonylContact O-C 2.89Å; L187-L217 WeakPolarHBondContact O-CA 3.27Å; L187-N218 PolarHBondContact O-N 2.86Å
188I87.2Confident80.8Confident25 Ų2546.8 Ų46.813%0.12824%0.237CC..EExtended strand (participates in β ladder)trans-120.1118.1171.9-54.2173.3000107.7L151 N152 L153 R154 R219L151-I188 PolarHBondContact O-N 3.42Å; N152-I188 HydrophobicContact CB-CB 4.19Å; N152-I188 HydrophobicContact CB-CD1 4.27Å; N152-I188 WeakPolarHBondContact OD1-CB 3.4Å; N152-I188 WeakPolarHBondContact OD1-CG2 3.21Å; L153-I188 CarbonylContact C-O 3.41Å; L153-I188 WeakPolarHBondContact CA-O 3.08Å; L153-I188 PolarHBondContact N-O 2.89Å; R154-I188 HydrophobicContact CB-CG2 4.15Å; R154-I188 PolarHBondContact N-O 2.99Å; I188-R219 HydrophobicContact CD1-CG 4.19Å; I188-R219 HydrophobicContact CG1-CG 4.49Å
189V83.3Confident80Confident6 Ų653.9 Ų53.94%0.03627%0.271CS..  trans-130.323.7179.2-66.80000112.1L153 F175 L187 N192 I207 L217 N218L153-V189 HydrophobicContact CB-CG1 4.28Å; F175-V189 HydrophobicContact CE1-CG1 4.12Å; F175-V189 HydrophobicContact CE1-CG2 4.48Å; L187-V189 HydrophobicContact CD1-CG1 3.84Å; L187-V189 HydrophobicContact CD2-CG1 3.98Å; L187-V189 HydrophobicContact CG-CG1 3.79Å; V189-N192 VanDerWaalsContact C-ND2 3.33Å; V189-N192 WeakPolarHBondContact CA-ND2 3.47Å; V189-N192 PolarHBondContact O-ND2 3.2Å; V189-I207 HydrophobicContact CG2-CD1 3.93Å; V189-L217 HydrophobicContact CG2-CD1 4.02Å; V189-N218 PolarHBondContact N-OD1 2.78Å
190R76.8Confident79.1Confident96 Ų9660 Ų6036%0.36230%0.298SS..THydrogen-bonded Turntrans-57.2149.9178.9-75.6-156.2167.1100.15.3111.3R154 H155 N192 N218R154-R190 VanDerWaalsContact CA-O 3.3Å; R154-R190 WeakPolarHBondContact CA-O 3.22Å; R154-R190 HydrophobicContact CG-CB 4.17Å; R154-R190 VanDerWaalsContact CG-O 3.28Å; R154-R190 WeakPolarHBondContact CG-O 3.42Å; H155-R190 PolarHBondContact N-O 3.14Å; H155-R190 VanDerWaalsContact N-O 3.07Å; R190-N192 PolarHBondContact O-N 3.16Å; R190-N218 HydrophobicContact CG-CB 3.95Å; R190-N218 PolarHBondContact N-OD1 3.07Å; R190-N218 PolarHBondContact NH1-O 3.13Å; R190-N218 PolarHBondContact NH2-O 2.58Å
191R69Low78.5Confident100 Ų10056.7 Ų56.738%0.37730%0.295SS..THydrogen-bonded Turntrans56.733.3176-58-177-177.9157.511.1113.9W54 H155W54-R191 VanDerWaalsContact CZ3-NH2 3.28Å; H155-R191 WeakPolarHBondContact CE1-CD 3.4Å; H155-R191 WeakPolarHBondContact ND1-CB 3.39Å; H155-R191 VanDerWaalsContact NE2-CD 3.28Å; H155-R191 WeakPolarHBondContact NE2-CD 3.4Å; H155-R191 PolarHBondContact NE2-NH1 3.25Å
192N69.7Low77.9Confident10 Ų1057.8 Ų57.85%0.05330%0.302CS..  trans-98.2137.6164.7-71.4-49.4000109.2L153 H155 W156 L157 V189 R190 I194 C195L153-N192 PolarHBondContact O-ND2 2.99Å; L153-N192 PolarHBondContact O-OD1 2.9Å; H155-N192 VanDerWaalsContact C-OD1 3.27Å; W156-N192 PolarHBondContact N-OD1 3.47Å; L157-N192 HydrophobicContact CB-CB 4.18Å; L157-N192 HydrophobicContact CD1-CB 4.14Å; L157-N192 PolarHBondContact N-OD1 3.29Å; V189-N192 VanDerWaalsContact C-ND2 3.33Å; V189-N192 WeakPolarHBondContact CA-ND2 3.47Å; V189-N192 PolarHBondContact O-ND2 3.2Å; R190-N192 PolarHBondContact O-N 3.16Å; N192-I194 HydrophobicContact CB-CG1 4.03Å; N192-I194 PolarHBondContact O-N 2.96Å; N192-C195 PolarHBondContact O-N 3.5Å
193P63.6Low77.6Confident32 Ų3254.5 Ų54.521%0.20828%0.281CS..G310 helixtrans-52.9-13172.7-29.735.3000115.5L157 A161 C195 S196L157-P193 HydrophobicContact CB-CG 4.35Å; L157-P193 WeakPolarHBondContact O-CG 3Å; A161-P193 HydrophobicContact CB-CB 4.32Å; A161-P193 HydrophobicContact CB-CG 3.91Å; P193-C195 PolarHBondContact O-N 3.36Å; P193-C195 VanDerWaalsContact O-N 3.17Å; P193-S196 PolarHBondContact O-N 2.92Å; P193-S196 PolarHBondContact O-OG 3.38Å
194I64.2Low77.4Confident4 Ų454.2 Ų54.22%0.02128%0.276CS..G310 helixtrans-50.7-40.1173.3-45.2-166.5000112.6L157 L171 W172 F175 N192 S196L157-I194 HydrophobicContact CD1-CD1 3.31Å; L157-I194 HydrophobicContact CD1-CG1 3.16Å; L171-I194 HydrophobicContact CD1-CD1 4.17Å; L171-I194 HydrophobicContact CD1-CG1 3.79Å; L171-I194 VanDerWaalsContact CD2-CA 3.4Å; L171-I194 HydrophobicContact CD2-CB 3.93Å; L171-I194 HydrophobicContact CD2-CG1 3.82Å; L171-I194 HydrophobicContact CD2-CG2 4.14Å; L171-I194 HydrophobicContact CG-CB 4.04Å; L171-I194 HydrophobicContact CG-CD1 4.07Å; L171-I194 HydrophobicContact CG-CG1 3.57Å; L171-I194 HydrophobicContact CG-CG2 4Å; W172-I194 HydrophobicContact CH2-CG2 4.42Å; W172-I194 HydrophobicContact CZ2-CG2 4.23Å; F175-I194 HydrophobicContact CE2-CD1 3.65Å; F175-I194 HydrophobicContact CE2-CG2 3.84Å; F175-I194 HydrophobicContact CZ-CD1 3.68Å; F175-I194 HydrophobicContact CZ-CG2 4.35Å; N192-I194 HydrophobicContact CB-CG1 4.03Å; N192-I194 PolarHBondContact O-N 2.96Å; I194-S196 VanDerWaalsContact C-N 3.34Å
195C58.6Low77Confident44 Ų4456.9 Ų56.930%0.29729%0.288SS..G310 helixtrans-93.114.5-177.6-59.80000113.3N192 P193 C203N192-C195 PolarHBondContact O-N 3.5Å; P193-C195 PolarHBondContact O-N 3.36Å; P193-C195 VanDerWaalsContact O-N 3.17Å; C195-C203 VanDerWaalsContact CA-SG 3.53Å; C195-C203 HydrophobicContact CB-CB 3.87Å; C195-C203 WeakPolarHBondContact CB-SG 3.47Å; C195-C203 WeakPolarHBondContact SG-CB 3.43Å; C195-C203 CovalentContact SG-SG 2.08Å; C195-C203 PolarHBondContact SG-SG 3.28Å
196S62.3Low76.8Confident85 Ų8554.7 Ų54.759%0.59428%0.279SS*.G310 helixtrans-84.5-22.4176.967.90000113.4P193 I194P193-S196 PolarHBondContact O-N 2.92Å; P193-S196 PolarHBondContact O-OG 3.38Å; I194-S196 VanDerWaalsContact C-N 3.34Å
197S66.8Low76.7Confident66 Ų6648.9 Ų48.946%0.46226%0.257SS..SBendtrans-93.1-9.6-178.259.30000114.5
198L72Confident76.7Confident54 Ų5448.9 Ų48.928%0.28326%0.257SS..SBendtrans-133.8151.3-177.7-71.2167.5000109.8W172 T202 F206W172-L198 HydrophobicContact CZ2-CD1 3.69Å; L198-T202 HydrophobicContact CD2-CG2 4.31Å; L198-F206 HydrophobicContact CD1-CD2 4.29Å; L198-F206 HydrophobicContact CD1-CE2 4.28Å
199E75.8Confident76.9Confident151 Ų15147.7 Ų47.771%0.70625%0.251SS*.  trans-54.9144.2169.7-65.8-177.6179.200110.6A201 T202 C203E199-A201 PolarHBondContact O-N 2.96Å; E199-A201 VanDerWaalsContact O-N 3.14Å; E199-T202 PolarHBondContact O-N 3.34Å; E199-C203 PolarHBondContact O-N 2.86Å
200E74.4Confident77.3Confident146 Ų14647.5 Ų47.568%0.68225%0.25SC*.Hα-helixtrans-55.3-37.3-176-176.9176.317900112.1C203 R204E200-C203 PolarHBondContact O-N 3.34Å; E200-R204 VanDerWaalsContact O-CB 3.31Å; E200-R204 WeakPolarHBondContact O-CB 3.15Å; E200-R204 PolarHBondContact O-N 2.94Å
201A78.2Confident78Confident59 Ų5943 Ų4349%0.48823%0.233SC..Hα-helixtrans-61.6-49.2176.700000111.8E199 R204 Q205E199-A201 PolarHBondContact O-N 2.96Å; E199-A201 VanDerWaalsContact O-N 3.14Å; A201-R204 WeakPolarHBondContact O-CB 3.4Å; A201-R204 PolarHBondContact O-N 3.4Å; A201-Q205 WeakPolarHBondContact O-CG 3.18Å; A201-Q205 PolarHBondContact O-N 3.39Å
202T81.7Confident79.1Confident36 Ų3643.2 Ų43.222%0.22123%0.234CC..Hα-helixtrans-65-42177.6-49.30000111.4L198 E199 R204 Q205 F206L198-T202 HydrophobicContact CD2-CG2 4.31Å; E199-T202 PolarHBondContact O-N 3.34Å; T202-R204 VanDerWaalsContact C-N 3.3Å; T202-R204 PolarHBondContact O-N 3.43Å; T202-Q205 PolarHBondContact O-N 3.4Å; T202-F206 HydrophobicContact CG2-CD1 4.39Å; T202-F206 HydrophobicContact CG2-CE1 4.04Å; T202-F206 HydrophobicContact CG2-CE2 4.41Å; T202-F206 HydrophobicContact CG2-CZ 4.05Å; T202-F206 PolarHBondContact O-N 2.96Å
203C83.6Confident80.1Confident0 Ų045.2 Ų45.20%024%0.244CC..Hα-helixtrans-56.6-47.6174.8-163.10000110.1C195 E199 E200 F206 I207C195-C203 VanDerWaalsContact CA-SG 3.53Å; C195-C203 HydrophobicContact CB-CB 3.87Å; C195-C203 WeakPolarHBondContact CB-SG 3.47Å; C195-C203 WeakPolarHBondContact SG-CB 3.43Å; C195-C203 CovalentContact SG-SG 2.08Å; C195-C203 PolarHBondContact SG-SG 3.28Å; E199-C203 PolarHBondContact O-N 2.86Å; E200-C203 PolarHBondContact O-N 3.34Å; C203-F206 PolarHBondContact O-N 3.49Å; C203-I207 WeakPolarHBondContact O-CD1 3.47Å; C203-I207 WeakPolarHBondContact O-CG1 3.03Å; C203-I207 PolarHBondContact O-N 2.94Å; C203-I207 VanDerWaalsContact O-N 3.09Å
204R87.6Confident81.4Confident46 Ų4643.8 Ų43.817%0.17424%0.235CC..Hα-helixtrans-60.2-47.8178.4-177.5178.4175.480.35.6111.9E200 A201 T202 I207 I208 L217 V220 E221 E243E200-R204 VanDerWaalsContact O-CB 3.31Å; E200-R204 WeakPolarHBondContact O-CB 3.15Å; E200-R204 PolarHBondContact O-N 2.94Å; A201-R204 WeakPolarHBondContact O-CB 3.4Å; A201-R204 PolarHBondContact O-N 3.4Å; T202-R204 VanDerWaalsContact C-N 3.3Å; T202-R204 PolarHBondContact O-N 3.43Å; R204-I207 PolarHBondContact O-N 3.09Å; R204-I208 HydrophobicContact CG-CD1 3.77Å; R204-I208 WeakPolarHBondContact O-CD1 3.49Å; R204-I208 VanDerWaalsContact O-CG1 3.24Å; R204-I208 WeakPolarHBondContact O-CG1 3.36Å; R204-I208 PolarHBondContact O-N 3.35Å; R204-L217 HydrophobicContact CB-CD2 4.48Å; R204-L217 HydrophobicContact CG-CD2 3.85Å; R204-L217 PolarHBondContact NH1-O 2.84Å; R204-V220 PolarHBondContact NH2-O 3.04Å; R204-E221 PolarHBondContact NH2-O 3.11Å; R204-E221 VanDerWaalsContact NH2-O 3.14Å; R204-E243 IonicContact CZ-OE1 3.63Å; R204-E243 IonicContact NE-OE1 3.62Å; R204-E243 PolarHBondContact NE-OE1 3.14Å; R204-E243 IonicContact NH2-OE1 3.76Å; R204-E243 PolarHBondContact NH2-OE1 2.82Å; R204-E243 IonicContact NH2-OE2 2.64Å
205Q85.7Confident82.7Confident56 Ų5648.9 Ų48.926%0.26226%0.257SS..Hα-helixtrans-59-48.2178.6-72.6172.2-28.800111.4A201 T202 I207 I208 A209 A247 D250A201-Q205 WeakPolarHBondContact O-CG 3.18Å; A201-Q205 PolarHBondContact O-N 3.39Å; T202-Q205 PolarHBondContact O-N 3.4Å; Q205-I207 VanDerWaalsContact C-N 3.34Å; Q205-I207 PolarHBondContact O-N 3.07Å; Q205-I208 PolarHBondContact O-N 2.73Å; Q205-A209 WeakPolarHBondContact O-CB 3.29Å; Q205-A209 PolarHBondContact O-N 2.64Å; Q205-A247 HydrophobicContact CB-CB 3.96Å; Q205-A247 HydrophobicContact CG-CB 4.21Å; Q205-A247 WeakPolarHBondContact O-CB 3.08Å; Q205-D250 VanDerWaalsContact CD-OD2 3.25Å; Q205-D250 PolarHBondContact NE2-OD2 3.27Å; Q205-D250 PolarHBondContact OE1-OD2 3.12Å
206F88.4Confident84.1Confident9 Ų947.1 Ų47.14%0.03925%0.245CC..Hα-helixtrans-64-39-179.2-76.812.1000112.6W172 L198 T202 C203 A209 K210 Y251 H254 F255W172-F206 HydrophobicContact CE3-CB 4.13Å; W172-F206 HydrophobicContact CH2-CB 3.44Å; W172-F206 VanDerWaalsContact CH2-CB 3.44Å; W172-F206 HydrophobicContact CH2-CD2 4.01Å; W172-F206 HydrophobicContact CH2-CG 4.22Å; W172-F206 HydrophobicContact CZ2-CB 4.24Å; W172-F206 AromaticContact CZ2-CD2 3.95Å; W172-F206 HydrophobicContact CZ2-CD2 3.95Å; W172-F206 HydrophobicContact CZ3-CB 3.36Å; W172-F206 HydrophobicContact CZ3-CD2 4.36Å; W172-F206 HydrophobicContact CZ3-CG 4.41Å; L198-F206 HydrophobicContact CD1-CD2 4.29Å; L198-F206 HydrophobicContact CD1-CE2 4.28Å; T202-F206 HydrophobicContact CG2-CD1 4.39Å; T202-F206 HydrophobicContact CG2-CE1 4.04Å; T202-F206 HydrophobicContact CG2-CE2 4.41Å; T202-F206 HydrophobicContact CG2-CZ 4.05Å; T202-F206 PolarHBondContact O-N 2.96Å; C203-F206 PolarHBondContact O-N 3.49Å; F206-A209 PolarHBondContact O-N 2.94Å; F206-K210 WeakPolarHBondContact O-CB 3.22Å; F206-K210 PolarHBondContact O-N 3.02Å; F206-Y251 HydrophobicContact CD1-CD2 4.36Å; F206-H254 HydrophobicContact CE1-CB 4.31Å; F206-H254 HydrophobicContact CZ-CB 4Å; F206-H254 AromaticContact CZ-CD2 3.79Å; F206-H254 AromaticContact CZ-CE1 3.97Å; F206-H254 AromaticContact CZ-CG 3.57Å; F206-H254 AromaticContact CZ-ND1 3.7Å; F206-F255 HydrophobicContact CE2-CZ 4.46Å
207I90.1Very high85.4Confident1 Ų143.1 Ų43.11%0.00522%0.217CC..Hα-helixtrans-63.2-44.8175.4-63.5165.5000110.5W172 F175 L187 V189 C203 R204 Q205 A209 K210 V211 L214 L217W172-I207 HydrophobicContact CH2-CG1 4.27Å; W172-I207 HydrophobicContact CZ3-CG1 3.83Å; F175-I207 HydrophobicContact CD1-CB 4.46Å; F175-I207 HydrophobicContact CD1-CG1 4.12Å; F175-I207 HydrophobicContact CD1-CG2 3.84Å; F175-I207 HydrophobicContact CD2-CG1 4.32Å; F175-I207 HydrophobicContact CE1-CB 4.34Å; F175-I207 HydrophobicContact CE1-CD1 3.95Å; F175-I207 HydrophobicContact CE1-CG1 3.67Å; F175-I207 HydrophobicContact CE1-CG2 3.78Å; F175-I207 HydrophobicContact CE2-CD1 4.39Å; F175-I207 HydrophobicContact CE2-CG1 3.89Å; F175-I207 HydrophobicContact CG-CG1 4.42Å; F175-I207 HydrophobicContact CZ-CD1 3.69Å; F175-I207 HydrophobicContact CZ-CG1 3.54Å; L187-I207 HydrophobicContact CD2-CG2 4.09Å; V189-I207 HydrophobicContact CG2-CD1 3.93Å; C203-I207 WeakPolarHBondContact O-CD1 3.47Å; C203-I207 WeakPolarHBondContact O-CG1 3.03Å; C203-I207 PolarHBondContact O-N 2.94Å; C203-I207 VanDerWaalsContact O-N 3.09Å; R204-I207 PolarHBondContact O-N 3.09Å; Q205-I207 VanDerWaalsContact C-N 3.34Å; Q205-I207 PolarHBondContact O-N 3.07Å; I207-A209 VanDerWaalsContact C-N 3.32Å; I207-A209 PolarHBondContact O-N 3.17Å; I207-K210 PolarHBondContact O-N 3.46Å; I207-V211 PolarHBondContact O-N 3.31Å; I207-L214 HydrophobicContact CG2-CD2 4.08Å; I207-L217 HydrophobicContact CB-CD2 3.78Å; I207-L217 HydrophobicContact CD1-CD1 4.49Å; I207-L217 HydrophobicContact CD1-CD2 4.26Å; I207-L217 HydrophobicContact CG2-CD1 3.9Å; I207-L217 HydrophobicContact CG2-CD2 3.67Å; I207-L217 HydrophobicContact CG2-CG 4.45Å
208I91.3Very high86.3Confident0 Ų040.8 Ų40.80%020%0.199CC..Hα-helixtrans-62.2-42177.6-68.3167000110.6R204 Q205 L217 V222 E243 R244 A247R204-I208 HydrophobicContact CG-CD1 3.77Å; R204-I208 WeakPolarHBondContact O-CD1 3.49Å; R204-I208 VanDerWaalsContact O-CG1 3.24Å; R204-I208 WeakPolarHBondContact O-CG1 3.36Å; R204-I208 PolarHBondContact O-N 3.35Å; Q205-I208 PolarHBondContact O-N 2.73Å; I208-L217 HydrophobicContact CD1-CD2 4.44Å; I208-L217 HydrophobicContact CG1-CD2 3.95Å; I208-V222 HydrophobicContact CD1-CG1 4.16Å; I208-V222 HydrophobicContact CD1-CG2 3.92Å; I208-V222 HydrophobicContact CG1-CG1 4.43Å; I208-V222 HydrophobicContact CG1-CG2 3.9Å; I208-V222 HydrophobicContact CG2-CG1 3.92Å; I208-E243 HydrophobicContact CD1-CG 4.08Å; I208-E243 VanDerWaalsContact CD1-OE1 3.24Å; I208-E243 WeakPolarHBondContact CD1-OE1 3.35Å; I208-R244 HydrophobicContact CG2-CB 4.1Å; I208-R244 HydrophobicContact CG2-CG 4.26Å; I208-R244 PolarHBondContact O-NH1 3.41Å; I208-A247 HydrophobicContact CB-CB 3.98Å; I208-A247 HydrophobicContact CG2-CB 3.83Å
209A91.3Very high86.7Confident0 Ų047.2 Ų47.20%022%0.22CC..Hα-helixtrans-70-30177.800000113.1Q205 F206 I207 E248 Y251 R282Q205-A209 WeakPolarHBondContact O-CB 3.29Å; Q205-A209 PolarHBondContact O-N 2.64Å; F206-A209 PolarHBondContact O-N 2.94Å; I207-A209 VanDerWaalsContact C-N 3.32Å; I207-A209 PolarHBondContact O-N 3.17Å; A209-E248 HydrophobicContact CB-CG 4.43Å; A209-Y251 HydrophobicContact CB-CD1 4.4Å; A209-Y251 HydrophobicContact CB-CD2 4.1Å; A209-Y251 HydrophobicContact CB-CG 3.76Å; A209-R282 WeakPolarHBondContact O-CD 3.23Å; A209-R282 PolarHBondContact O-NH1 3.41Å
210K92Very high87Confident3 Ų343.6 Ų43.61%0.01321%0.208CC..Hα-helixtrans-83.9-32.6176.2-81.2-176.1163-87.20113.6W172 F175 D176 N179 F206 I207 Y251 R279 R282W172-K210 HydrophobicContact CB-CD 4.44Å; W172-K210 HydrophobicContact CE3-CD 4.03Å; F175-K210 HydrophobicContact CB-CB 3.92Å; F175-K210 HydrophobicContact CB-CD 4.18Å; D176-K210 IonicContact OD1-NZ 3.38Å; D176-K210 PolarHBondContact OD1-NZ 3.31Å; D176-K210 IonicContact OD2-NZ 3.92Å; D176-K210 PolarHBondContact OD2-NZ 3.05Å; N179-K210 VanDerWaalsContact CB-O 3.23Å; N179-K210 WeakPolarHBondContact CB-O 3.3Å; N179-K210 PolarHBondContact OD1-O 3.34Å; F206-K210 WeakPolarHBondContact O-CB 3.22Å; F206-K210 PolarHBondContact O-N 3.02Å; I207-K210 PolarHBondContact O-N 3.46Å; K210-Y251 HydrophobicContact CG-CE2 4.11Å; K210-R279 PolarHBondContact NZ-O 2.81Å; K210-R279 VanDerWaalsContact NZ-O 3.13Å; K210-R282 WeakPolarHBondContact O-CD 3.28Å
211V92.7Very high87.4Confident2 Ų242.7 Ų42.71%0.01220%0.204CC..  trans-105.397.4-178.8-171.20000111.1F175 L178 L184 I207 N213 L214 R244F175-V211 HydrophobicContact CB-CG2 4.15Å; F175-V211 HydrophobicContact CD1-CG2 4.27Å; L178-V211 HydrophobicContact CB-CG2 4.37Å; L184-V211 HydrophobicContact CD2-CG1 4.19Å; I207-V211 PolarHBondContact O-N 3.31Å; V211-N213 VanDerWaalsContact C-N 3.28Å; V211-N213 PolarHBondContact O-N 2.08Å; V211-L214 HydrophobicContact CB-CB 4.19Å; V211-L214 HydrophobicContact CB-CD2 4.46Å; V211-L214 HydrophobicContact CG1-CB 4.03Å; V211-L214 WeakPolarHBondContact O-CB 3.09Å; V211-L214 PolarHBondContact O-N 3.4Å; V211-R244 PolarHBondContact O-NH1 3.23Å; V211-R244 PolarHBondContact O-NH2 3.19Å
212R91.1Very high87.6Confident104 Ų10440 Ų4039%0.39218%0.181SC..THydrogen-bonded Turntrans-59.7-34.1-168.275.9179.261.4178.9-3.7115N179 R244 R282 E285N179-R212 WeakPolarHBondContact OD1-CB 3.46Å; N179-R212 WeakPolarHBondContact OD1-CG 3.43Å; N179-R212 PolarHBondContact OD1-N 2.91Å; N179-R212 PolarHBondContact OD1-NE 2.93Å; R212-R244 PolarHBondContact O-NH1 3.03Å; R212-R244 PolarHBondContact O-NH2 3.33Å; R212-R282 VanDerWaalsContact CA-NH1 3.29Å; R212-E285 IonicContact CZ-OE1 2.67Å; R212-E285 IonicContact CZ-OE2 3.36Å; R212-E285 VanDerWaalsContact CZ-OE2 3.28Å; R212-E285 IonicContact NE-OE1 2.79Å; R212-E285 IonicContact NE-OE2 3.54Å; R212-E285 IonicContact NH1-OE2 3.12Å; R212-E285 IonicContact NH2-OE1 3.78Å; R212-E285 IonicContact NH2-OE2 2.73Å; R212-E285 PolarHBondContact NH2-OE2 2.92Å
213N90.2Very high87.1Confident51 Ų5147.3 Ų47.327%0.27321%0.205SC..THydrogen-bonded Turntrans-95.90.9-169.9-79.3-47.2000113.7P182 L184 K185 V211 K215P182-N213 PolarHBondContact O-ND2 2.88Å; L184-N213 CarbonylContact O-C 3.5Å; L184-N213 WeakPolarHBondContact O-CB 3.21Å; K185-N213 HydrophobicContact CD-CB 4.24Å; K185-N213 WeakPolarHBondContact CD-O 2.81Å; K185-N213 PolarHBondContact NZ-OD1 2.71Å; V211-N213 VanDerWaalsContact C-N 3.28Å; V211-N213 PolarHBondContact O-N 2.08Å; N213-K215 PolarHBondContact O-N 3.16Å
214L92.3Very high85.6Confident3 Ų352.2 Ų52.22%0.01623%0.23CC..  trans-68.3122.7-171.8-16463.5000112.2L187 I207 V211 V216 L217 R244L187-L214 HydrophobicContact CB-CD1 3.43Å; L187-L214 VanDerWaalsContact CB-CD1 3.43Å; L187-L214 HydrophobicContact CB-CD2 4.36Å; I207-L214 HydrophobicContact CG2-CD2 4.08Å; V211-L214 HydrophobicContact CB-CB 4.19Å; V211-L214 HydrophobicContact CB-CD2 4.46Å; V211-L214 HydrophobicContact CG1-CB 4.03Å; V211-L214 WeakPolarHBondContact O-CB 3.09Å; V211-L214 PolarHBondContact O-N 3.4Å; L214-V216 WeakPolarHBondContact CD1-O 3.33Å; L214-L217 HydrophobicContact CD2-CB 3.77Å; L214-L217 HydrophobicContact CD2-CD1 4.14Å; L214-L217 HydrophobicContact CD2-CD2 4.19Å; L214-L217 HydrophobicContact CD2-CG 4.25Å; L214-L217 HydrophobicContact CG-CB 4.45Å; L214-R244 PolarHBondContact O-NH2 3.39Å
215K90.2Very high83.7Confident111 Ų11152.1 Ų52.148%0.48324%0.238SC..SBendtrans-103.2-29.6175.3-64-172.9175.3-1740112.4K185 N213 E221 V222K185-K215 HydrophobicContact CB-CB 4.33Å; K185-K215 HydrophobicContact CB-CD 4.25Å; K185-K215 HydrophobicContact CB-CG 4.2Å; K185-K215 HydrophobicContact CD-CD 4.34Å; K185-K215 HydrophobicContact CD-CG 4.3Å; K185-K215 HydrophobicContact CG-CD 4.26Å; K185-K215 HydrophobicContact CG-CG 4.49Å; K185-K215 WeakPolarHBondContact O-CA 3.47Å; K185-K215 PolarHBondContact O-N 2.75Å; N213-K215 PolarHBondContact O-N 3.16Å; K215-E221 CarbonylContact O-C 3.59Å; K215-E221 WeakPolarHBondContact O-CA 3.49Å; K215-V222 PolarHBondContact O-N 3.26Å
216V88.8Confident81.7Confident7 Ų758.3 Ų58.34%0.04227%0.265CS..EExtended strand (participates in β ladder)trans-137.8123.3179.7-175.90000109.7K185 R186 L187 L214 V220 E221K185-V216 PolarHBondContact O-N 2.92Å; R186-V216 WeakPolarHBondContact CA-O 3.4Å; R186-V216 HydrophobicContact CB-CB 4.29Å; R186-V216 HydrophobicContact CG-CB 3.97Å; R186-V216 HydrophobicContact CG-CG2 4.16Å; R186-V216 VanDerWaalsContact NH1-CG2 3.31Å; L187-V216 PolarHBondContact N-O 3.16Å; L214-V216 WeakPolarHBondContact CD1-O 3.33Å; V216-V220 WeakPolarHBondContact CA-O 3.27Å; V216-E221 HydrophobicContact CG2-CG 4.11Å
217L89.4Confident79.3Confident0 Ų069.5 Ų69.50%031%0.307CS..EExtended strand (participates in β ladder)trans-117.8125.1175.8176.954.4000109.2L187 V189 R204 I207 I208 L214 R219 V220 V222L187-L217 HydrophobicContact CB-CD1 4.38Å; L187-L217 HydrophobicContact CD2-CD1 4.35Å; L187-L217 HydrophobicContact CG-CD1 4.38Å; L187-L217 CarbonylContact O-C 2.89Å; L187-L217 WeakPolarHBondContact O-CA 3.27Å; V189-L217 HydrophobicContact CG2-CD1 4.02Å; R204-L217 HydrophobicContact CB-CD2 4.48Å; R204-L217 HydrophobicContact CG-CD2 3.85Å; R204-L217 PolarHBondContact NH1-O 2.84Å; I207-L217 HydrophobicContact CB-CD2 3.78Å; I207-L217 HydrophobicContact CD1-CD1 4.49Å; I207-L217 HydrophobicContact CD1-CD2 4.26Å; I207-L217 HydrophobicContact CG2-CD1 3.9Å; I207-L217 HydrophobicContact CG2-CD2 3.67Å; I207-L217 HydrophobicContact CG2-CG 4.45Å; I208-L217 HydrophobicContact CD1-CD2 4.44Å; I208-L217 HydrophobicContact CG1-CD2 3.95Å; L214-L217 HydrophobicContact CD2-CB 3.77Å; L214-L217 HydrophobicContact CD2-CD1 4.14Å; L214-L217 HydrophobicContact CD2-CD2 4.19Å; L214-L217 HydrophobicContact CD2-CG 4.25Å; L214-L217 HydrophobicContact CG-CB 4.45Å; L217-R219 VanDerWaalsContact C-N 3.26Å; L217-R219 PolarHBondContact O-N 3.28Å; L217-V220 PolarHBondContact N-O 3.25Å; L217-V220 PolarHBondContact O-N 2.81Å; L217-V220 VanDerWaalsContact O-O 3.07Å; L217-V222 HydrophobicContact CB-CG2 4.49Å
218N85.2Confident77.1Confident18 Ų1875.9 Ų75.910%0.09634%0.335CS..THydrogen-bonded Turntrans53.343.6-179.2-67.4-29.7000112.4L187 V189 R190 V220L187-N218 PolarHBondContact O-N 2.86Å; V189-N218 PolarHBondContact N-OD1 2.78Å; R190-N218 HydrophobicContact CG-CB 3.95Å; R190-N218 PolarHBondContact N-OD1 3.07Å; R190-N218 PolarHBondContact NH1-O 3.13Å; R190-N218 PolarHBondContact NH2-O 2.58Å; N218-V220 PolarHBondContact O-N 3.25Å; N218-V220 VanDerWaalsContact O-N 3.15Å
219R81.1Confident74.9Confident188 Ų18880.7 Ų80.771%0.70936%0.356SS*.THydrogen-bonded Turntrans63.96.8-176.9-50.2-176.5178.4-162.7-1.6115.3I188 L217I188-R219 HydrophobicContact CD1-CG 4.19Å; I188-R219 HydrophobicContact CG1-CG 4.49Å; L217-R219 VanDerWaalsContact C-N 3.26Å; L217-R219 PolarHBondContact O-N 3.28Å
220V81Confident72.6Confident75 Ų7590.9 Ų90.946%0.45540%0.4SS..EExtended strand (participates in β ladder)trans-106.7125.6174.9-178.70000108.4R204 V216 L217 N218R204-V220 PolarHBondContact NH2-O 3.04Å; V216-V220 WeakPolarHBondContact CA-O 3.27Å; L217-V220 PolarHBondContact N-O 3.25Å; L217-V220 PolarHBondContact O-N 2.81Å; L217-V220 VanDerWaalsContact O-O 3.07Å; N218-V220 PolarHBondContact O-N 3.25Å; N218-V220 VanDerWaalsContact O-N 3.15Å
221E84.3Confident70.6Confident128 Ų12897.5 Ų97.560%0.59844%0.435SS*.EExtended strand (participates in β ladder)trans-58.6139.8176.6-60.7-165.2155.200110.9R204 K215 V216 R223R204-E221 PolarHBondContact NH2-O 3.11Å; R204-E221 VanDerWaalsContact NH2-O 3.14Å; K215-E221 CarbonylContact O-C 3.59Å; K215-E221 WeakPolarHBondContact O-CA 3.49Å; V216-E221 HydrophobicContact CG2-CG 4.11Å; E221-R223 PolarHBondContact O-N 3.5Å
222V82Confident68.2Low1 Ų1106.3 Ų106.31%0.00647%0.469CS..  trans-7899.2166.2179.70000105.3I208 K215 L217 I224 E243 R244I208-V222 HydrophobicContact CD1-CG1 4.16Å; I208-V222 HydrophobicContact CD1-CG2 3.92Å; I208-V222 HydrophobicContact CG1-CG1 4.43Å; I208-V222 HydrophobicContact CG1-CG2 3.9Å; I208-V222 HydrophobicContact CG2-CG1 3.92Å; K215-V222 PolarHBondContact O-N 3.26Å; L217-V222 HydrophobicContact CB-CG2 4.49Å; V222-I224 WeakPolarHBondContact O-CG1 3.25Å; V222-I224 PolarHBondContact O-N 2.82Å; V222-I224 VanDerWaalsContact O-N 3.14Å; V222-E243 VanDerWaalsContact CA-OE2 3.29Å; V222-E243 WeakPolarHBondContact CA-OE2 3.35Å; V222-E243 HydrophobicContact CG1-CB 4.42Å; V222-E243 HydrophobicContact CG1-CG 4.44Å; V222-R244 HydrophobicContact CG1-CB 4.16Å
223R70.3Confident66.1Low191 Ų191105 Ų10572%0.72148%0.476SS*.  trans-54115.1-164.5-74.2-179168.7165.4-2.3112.5E221 P241 E243E221-R223 PolarHBondContact O-N 3.5Å; R223-P241 WeakPolarHBondContact O-CA 3.14Å; R223-P241 WeakPolarHBondContact O-CB 3.33Å; R223-E243 HydrophobicContact CB-CB 4.42Å; R223-E243 PolarHBondContact N-OE2 2.84Å
224I53.5Low64.3Low103 Ų103107.1 Ų107.153%0.52851%0.51SS..  trans-99.478.5-179.1-47.5-176.7000110.3V222 P241V222-I224 WeakPolarHBondContact O-CG1 3.25Å; V222-I224 PolarHBondContact O-N 2.82Å; V222-I224 VanDerWaalsContact O-N 3.14Å; I224-P241 HydrophobicContact CB-CB 4.33Å; I224-P241 HydrophobicContact CB-CG 4.17Å; I224-P241 HydrophobicContact CG1-CB 4.19Å; I224-P241 HydrophobicContact CG1-CG 3.87Å; I224-P241 HydrophobicContact CG2-CG 4.08Å
225A46Very low62.3Low43 Ų43114.4 Ų114.436%0.35554%0.542SS..  trans56.3161.8175.700000114.3E242A225-E242 WeakPolarHBondContact CA-OE2 3.47Å; A225-E242 PolarHBondContact N-OE2 3.36Å
226F44.1Very low59.9Low187 Ų187117 Ų11782%0.8256%0.561SS**  cis-155.396.635.7-109.3-93.7000108
227R37.8Very low57.8Low243 Ų243121.1 Ų121.192%0.91758%0.578SS**SBendtrans-140.2-11.7169.4-126.2175.6-175.7173.70.3117.7
228F44.4Very low55.8Low136 Ų136131.1 Ų131.160%0.59662%0.622SS**SBendtrans-103.4-13.1-173.8-100.9-82.2000116.8
229F45.2Very low53.9Low101 Ų101132.3 Ų132.344%0.44363%0.628SS.*SBendtrans-102.9-0.8-167.2-129.4-95.7000117.1L231 S233 I239F229-L231 VanDerWaalsContact C-N 3.29Å; F229-L231 PolarHBondContact O-N 2.73Å; F229-S233 WeakPolarHBondContact CE1-OG 3.35Å; F229-S233 WeakPolarHBondContact CZ-OG 3.28Å; F229-I239 HydrophobicContact CD2-CD1 4.17Å; F229-I239 HydrophobicContact CE2-CD1 3.94Å; F229-I239 HydrophobicContact CZ-CD1 4.26Å
230K42.8Very low52.3Low214 Ų214125 Ų12593%0.9361%0.605SS**SBendtrans-76.9-11.4179-159.8173.4-179.8-179.20114
231L49.3Very low51.3Low141 Ų141122.4 Ų122.474%0.73859%0.591SS**SBendtrans-100.5-20.9-170.9-100.8142.4000115F229F229-L231 VanDerWaalsContact C-N 3.29Å; F229-L231 PolarHBondContact O-N 2.73Å
232Y44.1Very low50.6Low187 Ų187120.4 Ų120.473%0.73358%0.581SS**SBendtrans-148.2117.2-179.1-61-81.9000110.4
233S46.7Very low50.5Low78 Ų78122.6 Ų122.655%0.54559%0.591SS.*  trans84.1110.3177.376.50000117.1F229 F235F229-S233 WeakPolarHBondContact CE1-OG 3.35Å; F229-S233 WeakPolarHBondContact CZ-OG 3.28Å; S233-F235 PolarHBondContact O-N 3.12Å
234G51.5Low51.4Low95 Ų95114.5 Ų114.598%0.97956%0.561SS**  trans-72.545.517100000113.4
235F49.6Very low52.8Low156 Ų156110.5 Ų110.568%0.68454%0.539SS*.  trans-108.9106.3177.2-144.9-94.4000109.1S233 F237S233-F235 PolarHBondContact O-N 3.12Å; F235-F237 HydrophobicContact CD1-CB 4.46Å; F235-F237 HydrophobicContact CE1-CD2 4.47Å; F235-F237 PolarHBondContact O-N 3.04Å
236D41.2Very low54.5Low166 Ų166109.2 Ų109.289%0.88853%0.53SS*.  trans-77.473.4-177.5-144.22.9000109.7
237F44Very low56.6Low92 Ų92100.3 Ų100.340%0.40449%0.491SS..  trans-92119.2173.5-156.5-93.3000108.3F235 I239 K290F235-F237 HydrophobicContact CD1-CB 4.46Å; F235-F237 HydrophobicContact CE1-CD2 4.47Å; F235-F237 PolarHBondContact O-N 3.04Å; F237-I239 HydrophobicContact CB-CD1 4.29Å; F237-I239 HydrophobicContact CB-CG1 3.95Å; F237-I239 HydrophobicContact CD1-CG1 3.58Å; F237-I239 HydrophobicContact CG-CG1 4.21Å; F237-I239 WeakPolarHBondContact O-CG1 3.3Å; F237-I239 PolarHBondContact O-N 3.22Å; F237-K290 HydrophobicContact CE1-CD 4.13Å; F237-K290 HydrophobicContact CZ-CD 3.87Å
238K46.9Very low59Low210 Ų21089.4 Ų89.491%0.91345%0.45SS*.  trans-59.982.4163.5-96.6177.4173.9171.60108.9
239I45.3Very low61Low43 Ų4383 Ų8322%0.22142%0.422CS..  trans-78.9127.8-179-81.1174.8000107.5F229 F237 R245F229-I239 HydrophobicContact CD2-CD1 4.17Å; F229-I239 HydrophobicContact CE2-CD1 3.94Å; F229-I239 HydrophobicContact CZ-CD1 4.26Å; F237-I239 HydrophobicContact CB-CD1 4.29Å; F237-I239 HydrophobicContact CB-CG1 3.95Å; F237-I239 HydrophobicContact CD1-CG1 3.58Å; F237-I239 HydrophobicContact CG-CG1 4.21Å; F237-I239 WeakPolarHBondContact O-CG1 3.3Å; F237-I239 PolarHBondContact O-N 3.22Å; I239-R245 VanDerWaalsContact CB-NH2 3.32Å; I239-R245 VanDerWaalsContact CG2-CZ 3.42Å
240S49.2Very low62.8Low34 Ų3479.9 Ų79.924%0.23841%0.41CS..  trans-50.3149.7172.461.20000112.3E242 R245S240-E242 PolarHBondContact O-N 3.21Å; S240-R245 PolarHBondContact OG-NE 2.88Å; S240-R245 PolarHBondContact OG-NH2 2.81Å
241P59Low65Low22 Ų2269.7 Ų69.714%0.14337%0.366CS..  trans-44.6127.5178.9-24.629.8000111.4R223 I224 E243 R244 R245R223-P241 WeakPolarHBondContact O-CA 3.14Å; R223-P241 WeakPolarHBondContact O-CB 3.33Å; I224-P241 HydrophobicContact CB-CB 4.33Å; I224-P241 HydrophobicContact CB-CG 4.17Å; I224-P241 HydrophobicContact CG1-CB 4.19Å; I224-P241 HydrophobicContact CG1-CG 3.87Å; I224-P241 HydrophobicContact CG2-CG 4.08Å; P241-E243 PolarHBondContact O-N 3.33Å; P241-E243 VanDerWaalsContact O-N 3.13Å; P241-R244 HydrophobicContact CB-CB 3.82Å; P241-R244 HydrophobicContact CG-CB 4.14Å; P241-R244 WeakPolarHBondContact O-CA 3.28Å; P241-R244 WeakPolarHBondContact O-CB 3.48Å; P241-R244 PolarHBondContact O-N 3.43Å; P241-R245 PolarHBondContact O-N 2.89Å
242E69.2Low66.8Low85 Ų8563 Ų6340%0.39733%0.331SS..Hα-helixtrans-53.9-39.4-172.8-68.783.5172.500112.1A225 S240 R245 G246A225-E242 WeakPolarHBondContact CA-OE2 3.47Å; A225-E242 PolarHBondContact N-OE2 3.36Å; S240-E242 PolarHBondContact O-N 3.21Å; E242-R245 PolarHBondContact O-N 3.38Å; E242-G246 PolarHBondContact O-N 2.93Å
243E81.3Confident68.7Low48 Ų4855.3 Ų55.322%0.22430%0.301CS..Hα-helixtrans-66.9-42.2176.8-175.3-177.7173.400112.2R204 I208 V222 R223 P241 G246 A247R204-E243 IonicContact CZ-OE1 3.63Å; R204-E243 IonicContact NE-OE1 3.62Å; R204-E243 PolarHBondContact NE-OE1 3.14Å; R204-E243 IonicContact NH2-OE1 3.76Å; R204-E243 PolarHBondContact NH2-OE1 2.82Å; R204-E243 IonicContact NH2-OE2 2.64Å; I208-E243 HydrophobicContact CD1-CG 4.08Å; I208-E243 VanDerWaalsContact CD1-OE1 3.24Å; I208-E243 WeakPolarHBondContact CD1-OE1 3.35Å; V222-E243 VanDerWaalsContact CA-OE2 3.29Å; V222-E243 WeakPolarHBondContact CA-OE2 3.35Å; V222-E243 HydrophobicContact CG1-CB 4.42Å; V222-E243 HydrophobicContact CG1-CG 4.44Å; R223-E243 HydrophobicContact CB-CB 4.42Å; R223-E243 PolarHBondContact N-OE2 2.84Å; P241-E243 PolarHBondContact O-N 3.33Å; P241-E243 VanDerWaalsContact O-N 3.13Å; E243-G246 PolarHBondContact O-N 3.17Å; E243-A247 WeakPolarHBondContact O-CB 3.27Å; E243-A247 PolarHBondContact O-N 3.33Å
244R87.9Confident70.5Confident20 Ų2056.6 Ų56.68%0.07530%0.299CS..Hα-helixtrans-64.2-44.6176.5174.7169.2-69-70.8-2110.8I208 V211 R212 L214 V222 P241 A247 E248I208-R244 HydrophobicContact CG2-CB 4.1Å; I208-R244 HydrophobicContact CG2-CG 4.26Å; I208-R244 PolarHBondContact O-NH1 3.41Å; V211-R244 PolarHBondContact O-NH1 3.23Å; V211-R244 PolarHBondContact O-NH2 3.19Å; R212-R244 PolarHBondContact O-NH1 3.03Å; R212-R244 PolarHBondContact O-NH2 3.33Å; L214-R244 PolarHBondContact O-NH2 3.39Å; V222-R244 HydrophobicContact CG1-CB 4.16Å; P241-R244 HydrophobicContact CB-CB 3.82Å; P241-R244 HydrophobicContact CG-CB 4.14Å; P241-R244 WeakPolarHBondContact O-CA 3.28Å; P241-R244 WeakPolarHBondContact O-CB 3.48Å; P241-R244 PolarHBondContact O-N 3.43Å; R244-A247 PolarHBondContact O-N 3.01Å; R244-E248 HydrophobicContact CG-CG 4.3Å; R244-E248 WeakPolarHBondContact CG-OE1 3.43Å; R244-E248 IonicContact NH1-OE1 3.16Å; R244-E248 WeakPolarHBondContact O-CB 3.34Å; R244-E248 WeakPolarHBondContact O-CG 3.09Å; R244-E248 PolarHBondContact O-N 3.1Å
245R83Confident72.3Confident20 Ų2053.4 Ų53.48%0.07526%0.258CS..Hα-helixtrans-61.1-48.8177.5-171.5-177.8-62.4-168.3-6.9111.3I239 S240 P241 E242 A247 E248 L249 T291 W294I239-R245 VanDerWaalsContact CB-NH2 3.32Å; I239-R245 VanDerWaalsContact CG2-CZ 3.42Å; S240-R245 PolarHBondContact OG-NE 2.88Å; S240-R245 PolarHBondContact OG-NH2 2.81Å; P241-R245 PolarHBondContact O-N 2.89Å; E242-R245 PolarHBondContact O-N 3.38Å; R245-A247 VanDerWaalsContact C-N 3.35Å; R245-E248 PolarHBondContact O-N 2.72Å; R245-L249 HydrophobicContact CG-CD1 4.11Å; R245-L249 WeakPolarHBondContact O-CB 3.47Å; R245-L249 WeakPolarHBondContact O-CG 3.38Å; R245-L249 PolarHBondContact O-N 2.59Å; R245-T291 HydrophobicContact CB-CG2 4.47Å; R245-T291 HydrophobicContact CG-CG2 3.5Å; R245-T291 VanDerWaalsContact CG-CG2 3.5Å; R245-W294 VanDerWaalsContact NH1-CD2 3.32Å
246G81.7Confident73.9Confident15 Ų1546.5 Ų46.516%0.15523%0.229CC..Hα-helixtrans-57.9-48.5176.800000111.3E242 E243 E248 L249 D250E242-G246 PolarHBondContact O-N 2.93Å; E243-G246 PolarHBondContact O-N 3.17Å; G246-E248 PolarHBondContact O-N 3.31Å; G246-L249 PolarHBondContact O-N 2.97Å; G246-D250 WeakPolarHBondContact O-CB 3.46Å; G246-D250 VanDerWaalsContact O-CG 3.22Å; G246-D250 PolarHBondContact O-N 3.27Å
247A87.8Confident75.8Confident1 Ų142.3 Ų42.31%0.00822%0.218CC..Hα-helixtrans-58-43.717600000113.4Q205 I208 E243 R244 R245 Y251Q205-A247 HydrophobicContact CB-CB 3.96Å; Q205-A247 HydrophobicContact CG-CB 4.21Å; Q205-A247 WeakPolarHBondContact O-CB 3.08Å; I208-A247 HydrophobicContact CB-CB 3.98Å; I208-A247 HydrophobicContact CG2-CB 3.83Å; E243-A247 WeakPolarHBondContact O-CB 3.27Å; E243-A247 PolarHBondContact O-N 3.33Å; R244-A247 PolarHBondContact O-N 3.01Å; R245-A247 VanDerWaalsContact C-N 3.35Å; A247-Y251 VanDerWaalsContact O-CB 3.25Å; A247-Y251 WeakPolarHBondContact O-CB 3.28Å; A247-Y251 PolarHBondContact O-N 3.14Å
248E89.6Confident77.8Confident13 Ų1341.1 Ų41.16%0.06121%0.214CC..Hα-helixtrans-66.2-40.1177.2-74.2171.3174.600112.1A209 R244 R245 G246 L252 R282 L286 T291A209-E248 HydrophobicContact CB-CG 4.43Å; R244-E248 HydrophobicContact CG-CG 4.3Å; R244-E248 WeakPolarHBondContact CG-OE1 3.43Å; R244-E248 IonicContact NH1-OE1 3.16Å; R244-E248 WeakPolarHBondContact O-CB 3.34Å; R244-E248 WeakPolarHBondContact O-CG 3.09Å; R244-E248 PolarHBondContact O-N 3.1Å; R245-E248 PolarHBondContact O-N 2.72Å; G246-E248 PolarHBondContact O-N 3.31Å; E248-L252 WeakPolarHBondContact O-CG 3.48Å; E248-L252 PolarHBondContact O-N 3.26Å; E248-R282 IonicContact OE1-NH1 2.82Å; E248-R282 IonicContact OE1-NH2 3.55Å; E248-L286 HydrophobicContact CB-CD1 4.42Å; E248-L286 HydrophobicContact CB-CD2 4Å; E248-L286 VanDerWaalsContact CD-CD2 3.49Å; E248-L286 HydrophobicContact CG-CD1 4.25Å; E248-L286 HydrophobicContact CG-CD2 3.59Å; E248-T291 HydrophobicContact CB-CG2 4.18Å; E248-T291 PolarHBondContact OE2-OG1 3.2Å; E248-T291 VanDerWaalsContact OE2-OG1 3.08Å
249L85.2Confident79.6Confident1 Ų132.7 Ų32.71%0.00518%0.176CC..Hα-helixtrans-66.7-46.5175.4-72.1170.8000111.7R245 G246 Y251 L252 Q253 T291 W294 F295 L303R245-L249 HydrophobicContact CG-CD1 4.11Å; R245-L249 WeakPolarHBondContact O-CB 3.47Å; R245-L249 WeakPolarHBondContact O-CG 3.38Å; R245-L249 PolarHBondContact O-N 2.59Å; G246-L249 PolarHBondContact O-N 2.97Å; L249-Y251 VanDerWaalsContact C-N 3.27Å; L249-Y251 PolarHBondContact O-N 2.74Å; L249-L252 PolarHBondContact O-N 3.39Å; L249-L252 VanDerWaalsContact O-N 3.16Å; L249-Q253 WeakPolarHBondContact O-CB 3.44Å; L249-Q253 WeakPolarHBondContact O-CG 3.43Å; L249-Q253 PolarHBondContact O-N 3.37Å; L249-T291 HydrophobicContact CD1-CG2 4.36Å; L249-T291 HydrophobicContact CD2-CG2 3.8Å; L249-T291 HydrophobicContact CG-CG2 3.68Å; L249-W294 HydrophobicContact CD1-CZ3 4.15Å; L249-F295 HydrophobicContact CD1-CD2 3.89Å; L249-F295 HydrophobicContact CD2-CB 3.74Å; L249-F295 HydrophobicContact CD2-CD2 3.93Å; L249-F295 HydrophobicContact CD2-CG 3.99Å; L249-L303 HydrophobicContact CD2-CD1 4.32Å; L249-L303 HydrophobicContact CD2-CD2 4.16Å
250D83.6Confident81.2Confident36 Ų3633.7 Ų33.719%0.19318%0.18CC..Hα-helixtrans-61.9-39.1178.6-68.5-12.1000110.6Q205 G246 Q253 H254Q205-D250 VanDerWaalsContact CD-OD2 3.25Å; Q205-D250 PolarHBondContact NE2-OD2 3.27Å; Q205-D250 PolarHBondContact OE1-OD2 3.12Å; G246-D250 WeakPolarHBondContact O-CB 3.46Å; G246-D250 VanDerWaalsContact O-CG 3.22Å; G246-D250 PolarHBondContact O-N 3.27Å; D250-Q253 PolarHBondContact O-N 3.01Å; D250-H254 VanDerWaalsContact O-CB 3.3Å; D250-H254 WeakPolarHBondContact O-CB 3.28Å; D250-H254 PolarHBondContact O-N 3.17Å
251Y89.1Confident82.8Confident0 Ų035 Ų350%019%0.189CC..Hα-helixtrans-61.5-48.5172.1178.3-96.1000112.3F206 A209 K210 A247 L249 Q253 H254 F255 H280 F283 L286F206-Y251 HydrophobicContact CD1-CD2 4.36Å; A209-Y251 HydrophobicContact CB-CD1 4.4Å; A209-Y251 HydrophobicContact CB-CD2 4.1Å; A209-Y251 HydrophobicContact CB-CG 3.76Å; K210-Y251 HydrophobicContact CG-CE2 4.11Å; A247-Y251 VanDerWaalsContact O-CB 3.25Å; A247-Y251 WeakPolarHBondContact O-CB 3.28Å; A247-Y251 PolarHBondContact O-N 3.14Å; L249-Y251 VanDerWaalsContact C-N 3.27Å; L249-Y251 PolarHBondContact O-N 2.74Å; Y251-Q253 PolarHBondContact O-N 2.89Å; Y251-H254 PolarHBondContact O-N 3.34Å; Y251-F255 HydrophobicContact CD2-CD2 4.02Å; Y251-F255 AromaticContact CD2-CE2 3.65Å; Y251-F255 HydrophobicContact CD2-CE2 3.65Å; Y251-F255 HydrophobicContact CE1-CD2 4.46Å; Y251-F255 AromaticContact CE2-CD2 3.82Å; Y251-F255 HydrophobicContact CE2-CD2 3.82Å; Y251-F255 AromaticContact CE2-CE2 3.39Å; Y251-F255 HydrophobicContact CE2-CE2 3.39Å; Y251-F255 HydrophobicContact CE2-CZ 4.44Å; Y251-F255 HydrophobicContact CG-CD2 4.43Å; Y251-F255 HydrophobicContact CG-CE2 4.47Å; Y251-F255 VanDerWaalsContact O-CD2 3.29Å; Y251-F255 WeakPolarHBondContact O-CD2 3.44Å; Y251-F255 PolarHBondContact O-N 2.67Å; Y251-H280 AromaticContact CZ-ND1 3.75Å; Y251-H280 WeakPolarHBondContact OH-CB 3.39Å; Y251-H280 PolarHBondContact OH-ND1 2.79Å; Y251-F283 HydrophobicContact CD1-CD2 4.37Å; Y251-F283 HydrophobicContact CE1-CB 4.43Å; Y251-F283 AromaticContact CE1-CD2 3.84Å; Y251-F283 HydrophobicContact CE1-CD2 3.84Å; Y251-L286 HydrophobicContact CD1-CD1 3.71Å; Y251-L286 HydrophobicContact CE1-CD1 4.04Å
252L88Confident83.9Confident0 Ų034.9 Ų34.90%019%0.187CC..Hα-helixtrans-59.9-46.3176.9-75.6176.6000111.7E248 L249 H254 F255 A256 F283 L286 V287 C292 L303E248-L252 WeakPolarHBondContact O-CG 3.48Å; E248-L252 PolarHBondContact O-N 3.26Å; L249-L252 PolarHBondContact O-N 3.39Å; L249-L252 VanDerWaalsContact O-N 3.16Å; L252-H254 VanDerWaalsContact C-N 3.31Å; L252-H254 PolarHBondContact O-N 3Å; L252-F255 PolarHBondContact O-N 3.38Å; L252-A256 WeakPolarHBondContact O-CA 3.2Å; L252-A256 VanDerWaalsContact O-CB 3.31Å; L252-A256 WeakPolarHBondContact O-CB 3.25Å; L252-A256 PolarHBondContact O-N 2.81Å; L252-F283 HydrophobicContact CD2-CD1 4.43Å; L252-F283 HydrophobicContact CD2-CD2 3.85Å; L252-F283 HydrophobicContact CD2-CE1 4.28Å; L252-F283 HydrophobicContact CD2-CE2 3.65Å; L252-F283 HydrophobicContact CD2-CG 4.24Å; L252-F283 HydrophobicContact CD2-CZ 3.9Å; L252-L286 HydrophobicContact CD1-CB 4.13Å; L252-L286 HydrophobicContact CD2-CB 3.78Å; L252-L286 HydrophobicContact CG-CB 4.08Å; L252-V287 HydrophobicContact CD2-CG2 3.8Å; L252-C292 HydrophobicContact CD1-CB 4.04Å; L252-L303 HydrophobicContact CB-CD2 3.74Å; L252-L303 HydrophobicContact CD1-CD2 3.73Å; L252-L303 HydrophobicContact CG-CD2 4.39Å
253Q84Confident84.2Confident26 Ų2635 Ų3512%0.12119%0.188CC..Hα-helixtrans-63.9-35.9179.1-72.6-176.9-5.400112.6L249 D250 Y251 F255 L303L249-Q253 WeakPolarHBondContact O-CB 3.44Å; L249-Q253 WeakPolarHBondContact O-CG 3.43Å; L249-Q253 PolarHBondContact O-N 3.37Å; D250-Q253 PolarHBondContact O-N 3.01Å; Y251-Q253 PolarHBondContact O-N 2.89Å; Q253-F255 PolarHBondContact O-N 3.12Å; Q253-L303 HydrophobicContact CG-CD1 3.56Å; Q253-L303 HydrophobicContact CG-CG 4.23Å
254H84.5Confident83.6Confident105 Ų10539.5 Ų39.549%0.48621%0.206SC..Hα-helixtrans-62.8-42179.8-171.489.1000112F206 D250 Y251 L252F206-H254 HydrophobicContact CE1-CB 4.31Å; F206-H254 HydrophobicContact CZ-CB 4Å; F206-H254 AromaticContact CZ-CD2 3.79Å; F206-H254 AromaticContact CZ-CE1 3.97Å; F206-H254 AromaticContact CZ-CG 3.57Å; F206-H254 AromaticContact CZ-ND1 3.7Å; D250-H254 VanDerWaalsContact O-CB 3.3Å; D250-H254 WeakPolarHBondContact O-CB 3.28Å; D250-H254 PolarHBondContact O-N 3.17Å; Y251-H254 PolarHBondContact O-N 3.34Å; L252-H254 VanDerWaalsContact C-N 3.31Å; L252-H254 PolarHBondContact O-N 3Å
255F87.5Confident82.4Confident29 Ų2943.8 Ų43.813%0.12723%0.228CC..Hα-helixtrans-99.42.3-178.7-58-75.3000114F206 Y251 L252 Q253 A257 E258 W259 F276 H280 F283F206-F255 HydrophobicContact CE2-CZ 4.46Å; Y251-F255 HydrophobicContact CD2-CD2 4.02Å; Y251-F255 AromaticContact CD2-CE2 3.65Å; Y251-F255 HydrophobicContact CD2-CE2 3.65Å; Y251-F255 HydrophobicContact CE1-CD2 4.46Å; Y251-F255 AromaticContact CE2-CD2 3.82Å; Y251-F255 HydrophobicContact CE2-CD2 3.82Å; Y251-F255 AromaticContact CE2-CE2 3.39Å; Y251-F255 HydrophobicContact CE2-CE2 3.39Å; Y251-F255 HydrophobicContact CE2-CZ 4.44Å; Y251-F255 HydrophobicContact CG-CD2 4.43Å; Y251-F255 HydrophobicContact CG-CE2 4.47Å; Y251-F255 VanDerWaalsContact O-CD2 3.29Å; Y251-F255 WeakPolarHBondContact O-CD2 3.44Å; Y251-F255 PolarHBondContact O-N 2.67Å; L252-F255 PolarHBondContact O-N 3.38Å; Q253-F255 PolarHBondContact O-N 3.12Å; F255-A257 PolarHBondContact O-N 3.47Å; F255-E258 PolarHBondContact O-N 3.15Å; F255-W259 WeakPolarHBondContact O-CB 3.43Å; F255-W259 PolarHBondContact O-N 3.25Å; F255-F276 HydrophobicContact CB-CE2 4.04Å; F255-F276 HydrophobicContact CB-CZ 3.96Å; F255-H280 AromaticContact CD1-CE1 3.57Å; F255-H280 AromaticContact CD1-NE2 3.79Å; F255-H280 AromaticContact CE1-CE1 3.25Å; F255-H280 WeakPolarHBondContact CE1-CE1 2.98Å; F255-H280 AromaticContact CE1-NE2 3.72Å; F255-H280 AromaticContact CE2-CE1 3.73Å; F255-H280 AromaticContact CE2-ND1 3.93Å; F255-H280 AromaticContact CG-CE1 3.95Å; F255-H280 AromaticContact CZ-CE1 3.35Å; F255-H280 WeakPolarHBondContact CZ-CE1 3.5Å; F255-F283 HydrophobicContact CB-CD2 4.2Å; F255-F283 HydrophobicContact CB-CE2 3.67Å; F255-F283 HydrophobicContact CB-CZ 4.44Å
256A84.4Confident81.2Confident10 Ų1051.7 Ų51.78%0.08327%0.265CS..Hα-helixtrans-58.4-44-177.900000113.2L252 W259 H260 F304L252-A256 WeakPolarHBondContact O-CA 3.2Å; L252-A256 VanDerWaalsContact O-CB 3.31Å; L252-A256 WeakPolarHBondContact O-CB 3.25Å; L252-A256 PolarHBondContact O-N 2.81Å; A256-W259 PolarHBondContact O-N 2.85Å; A256-H260 VanDerWaalsContact O-CB 3.26Å; A256-H260 WeakPolarHBondContact O-CB 3.2Å; A256-H260 PolarHBondContact O-N 3.32Å; A256-F304 HydrophobicContact CB-CD1 3.73Å; A256-F304 HydrophobicContact CB-CE1 4.26Å
257A81.3Confident80Confident79 Ų7960.5 Ų60.565%0.65330%0.302SS*.Hα-helixtrans-65-45.6-177.500000112F255 H260 S261F255-A257 PolarHBondContact O-N 3.47Å; A257-H260 PolarHBondContact O-N 3.38Å; A257-S261 PolarHBondContact O-N 3.26Å; A257-S261 PolarHBondContact O-OG 3.27Å
258E84.8Confident78.5Confident67 Ų6762.9 Ų62.931%0.31333%0.327SS..Hα-helixtrans-62.6-47.6175.5-176.3-173.4169.600110.8F255 H260 S261 L262 F276 R279F255-E258 PolarHBondContact O-N 3.15Å; E258-H260 VanDerWaalsContact C-N 3.32Å; E258-H260 PolarHBondContact O-N 3.07Å; E258-S261 PolarHBondContact O-N 2.93Å; E258-S261 PolarHBondContact O-OG 3.22Å; E258-L262 HydrophobicContact CG-CD1 4.12Å; E258-L262 WeakPolarHBondContact O-CB 3.29Å; E258-L262 WeakPolarHBondContact O-CG 3.21Å; E258-L262 PolarHBondContact O-N 3.03Å; E258-F276 HydrophobicContact CB-CE2 4.38Å; E258-F276 HydrophobicContact CG-CD2 4.05Å; E258-F276 HydrophobicContact CG-CE2 4.17Å; E258-F276 WeakPolarHBondContact OE1-CD2 3.32Å; E258-R279 IonicContact OE1-CZ 3Å; E258-R279 IonicContact OE1-NH1 3.25Å; E258-R279 PolarHBondContact OE1-NH1 3.18Å; E258-R279 IonicContact OE1-NH2 3.44Å; E258-R279 PolarHBondContact OE1-NH2 2.9Å; E258-R279 IonicContact OE2-NH1 3.91Å
259W84.6Confident76.9Confident32 Ų3264.2 Ų64.212%0.12133%0.333CS..Hα-helixtrans-61.4-41.1178.6-175.971.9000112.2F255 A256 L262 Q263 F276 F283 F304F255-W259 WeakPolarHBondContact O-CB 3.43Å; F255-W259 PolarHBondContact O-N 3.25Å; A256-W259 PolarHBondContact O-N 2.85Å; W259-L262 PolarHBondContact O-N 3.07Å; W259-Q263 VanDerWaalsContact CH2-NE2 3.32Å; W259-Q263 WeakPolarHBondContact O-CG 3.4Å; W259-Q263 PolarHBondContact O-N 3.28Å; W259-F276 HydrophobicContact CB-CE1 4.08Å; W259-F276 HydrophobicContact CB-CE2 4.22Å; W259-F276 HydrophobicContact CB-CZ 3.77Å; W259-F276 AromaticContact CD1-CD1 3.75Å; W259-F276 AromaticContact CD1-CE1 3.43Å; W259-F276 VanDerWaalsContact CD1-CE1 3.43Å; W259-F276 HydrophobicContact CG-CE1 4.05Å; W259-F276 HydrophobicContact CG-CZ 4.24Å; W259-F283 HydrophobicContact CB-CE1 3.85Å; W259-F283 HydrophobicContact CB-CZ 3.97Å; W259-F283 AromaticContact CD1-CE1 3.8Å; W259-F283 AromaticContact CD2-CE1 3.67Å; W259-F283 HydrophobicContact CD2-CE1 3.67Å; W259-F283 HydrophobicContact CD2-CZ 4.44Å; W259-F283 HydrophobicContact CE3-CE1 4.24Å; W259-F283 HydrophobicContact CG-CD1 4.21Å; W259-F283 AromaticContact CG-CE1 3.47Å; W259-F283 HydrophobicContact CG-CE1 3.47Å; W259-F283 VanDerWaalsContact CG-CE1 3.47Å; W259-F283 HydrophobicContact CG-CZ 4.1Å; W259-F304 AromaticContact CE3-CD1 3.94Å; W259-F304 HydrophobicContact CE3-CD1 3.94Å; W259-F304 AromaticContact CE3-CE1 3.9Å; W259-F304 HydrophobicContact CE3-CE1 3.9Å; W259-F304 HydrophobicContact CE3-CG 4.45Å; W259-F304 HydrophobicContact CE3-CZ 4.36Å; W259-F304 HydrophobicContact CZ3-CD1 4.04Å; W259-F304 HydrophobicContact CZ3-CD2 4.15Å; W259-F304 AromaticContact CZ3-CE1 3.99Å; W259-F304 HydrophobicContact CZ3-CE1 3.99Å; W259-F304 HydrophobicContact CZ3-CE2 4.1Å; W259-F304 HydrophobicContact CZ3-CG 4.15Å; W259-F304 HydrophobicContact CZ3-CZ 4.03Å
260H80.6Confident76.1Confident64 Ų6468.5 Ų68.530%0.29636%0.363SS..Hα-helixtrans-71-36.3-179.7-166.864.3000113A256 A257 E258 L262 Q263 K264A256-H260 VanDerWaalsContact O-CB 3.26Å; A256-H260 WeakPolarHBondContact O-CB 3.2Å; A256-H260 PolarHBondContact O-N 3.32Å; A257-H260 PolarHBondContact O-N 3.38Å; E258-H260 VanDerWaalsContact C-N 3.32Å; E258-H260 PolarHBondContact O-N 3.07Å; H260-L262 VanDerWaalsContact C-N 3.33Å; H260-Q263 PolarHBondContact O-N 2.91Å; H260-K264 PolarHBondContact CD2-NZ 2.91Å; H260-K264 WeakPolarHBondContact NE2-CE 3.33Å; H260-K264 PolarHBondContact NE2-NZ 3.46Å
261S81.4Confident76.1Confident62 Ų6273.4 Ų73.443%0.43439%0.388SS..Hα-helixtrans-64.4-41.3173.259.70000111.2A257 E258 Q263 K264A257-S261 PolarHBondContact O-N 3.26Å; A257-S261 PolarHBondContact O-OG 3.27Å; E258-S261 PolarHBondContact O-N 2.93Å; E258-S261 PolarHBondContact O-OG 3.22Å; S261-Q263 PolarHBondContact O-N 2.91Å; S261-Q263 VanDerWaalsContact O-N 3.15Å; S261-K264 PolarHBondContact O-N 2.8Å; S261-K264 VanDerWaalsContact O-N 3.15Å
262L82.5Confident75.8Confident19 Ų1975.1 Ų75.110%0.09940%0.401CS..THydrogen-bonded Turntrans-66.8-11.4175.4-65.7174.9000113.4E258 W259 H260 K269 A272 L273 F276E258-L262 HydrophobicContact CG-CD1 4.12Å; E258-L262 WeakPolarHBondContact O-CB 3.29Å; E258-L262 WeakPolarHBondContact O-CG 3.21Å; E258-L262 PolarHBondContact O-N 3.03Å; W259-L262 PolarHBondContact O-N 3.07Å; H260-L262 VanDerWaalsContact C-N 3.33Å; L262-K269 WeakPolarHBondContact O-CD 3.06Å; L262-K269 WeakPolarHBondContact O-CE 3.32Å; L262-K269 WeakPolarHBondContact O-CG 3.46Å; L262-A272 HydrophobicContact CD2-CB 3.57Å; L262-L273 HydrophobicContact CB-CD1 4.25Å; L262-F276 HydrophobicContact CD1-CB 3.7Å; L262-F276 HydrophobicContact CD1-CD2 4.03Å; L262-F276 HydrophobicContact CD1-CG 4.05Å
263Q75.3Confident75.6Confident89 Ų8977 Ų7742%0.41641%0.412SS..THydrogen-bonded Turntrans-90.8-5.3173.8-75-159.9-31.200114.8W259 H260 S261 K269W259-Q263 VanDerWaalsContact CH2-NE2 3.32Å; W259-Q263 WeakPolarHBondContact O-CG 3.4Å; W259-Q263 PolarHBondContact O-N 3.28Å; H260-Q263 PolarHBondContact O-N 2.91Å; S261-Q263 PolarHBondContact O-N 2.91Å; S261-Q263 VanDerWaalsContact O-N 3.15Å; Q263-K269 WeakPolarHBondContact O-CE 3.44Å; Q263-K269 PolarHBondContact O-NZ 3.04Å
264K68.8Low75.6Confident141 Ų14180.1 Ų80.161%0.61343%0.432SS*.THydrogen-bonded Turntrans-103.6-29.2-176.9-66-178.2-176.8175.40117.7H260 S261 K269H260-K264 PolarHBondContact CD2-NZ 2.91Å; H260-K264 WeakPolarHBondContact NE2-CE 3.33Å; H260-K264 PolarHBondContact NE2-NZ 3.46Å; S261-K264 PolarHBondContact O-N 2.8Å; S261-K264 VanDerWaalsContact O-N 3.15Å; K264-K269 VanDerWaalsContact CA-NZ 3.34Å; K264-K269 PolarHBondContact O-NZ 3.23Å; K264-K269 VanDerWaalsContact O-NZ 3.15Å
265E62Low75.8Confident111 Ų11177.6 Ų77.652%0.51942%0.422SS..  trans-71.8123.4176.6-60.7176.617800117.6K269E265-K269 HydrophobicContact CB-CG 4.23Å; E265-K269 WeakPolarHBondContact O-CB 3.44Å; E265-K269 WeakPolarHBondContact O-CD 3.42Å; E265-K269 WeakPolarHBondContact O-CE 3.49Å; E265-K269 WeakPolarHBondContact O-CG 2.92Å; E265-K269 PolarHBondContact O-NZ 3.17Å
266E59.9Low75.8Confident185 Ų18576.2 Ų76.286%0.86442%0.416SS*.SBendtrans-82.1-29.6-170.9-76.817515700117
267E54.8Low75.9Confident201 Ų20178.7 Ų78.794%0.93943%0.426SS*.SBendtrans-114.1-17.7-165.3-74.8176.8146.400116.7
268G57Low76.2Confident51 Ų5182 Ų8253%0.52642%0.421SS..SBendtrans-105.6-1.9175.700000114.9S270G268-S270 PolarHBondContact O-N 3.17Å
269K56Low76.3Confident40 Ų4081 Ų8117%0.17442%0.415CS..Hα-helixtrans-70.9-31.3-158.1-138.1-171.5-135.4144.60116.1L262 Q263 K264 E265 I271 L273L262-K269 WeakPolarHBondContact O-CD 3.06Å; L262-K269 WeakPolarHBondContact O-CE 3.32Å; L262-K269 WeakPolarHBondContact O-CG 3.46Å; Q263-K269 WeakPolarHBondContact O-CE 3.44Å; Q263-K269 PolarHBondContact O-NZ 3.04Å; K264-K269 VanDerWaalsContact CA-NZ 3.34Å; K264-K269 PolarHBondContact O-NZ 3.23Å; K264-K269 VanDerWaalsContact O-NZ 3.15Å; E265-K269 HydrophobicContact CB-CG 4.23Å; E265-K269 WeakPolarHBondContact O-CB 3.44Å; E265-K269 WeakPolarHBondContact O-CD 3.42Å; E265-K269 WeakPolarHBondContact O-CE 3.49Å; E265-K269 WeakPolarHBondContact O-CG 2.92Å; E265-K269 PolarHBondContact O-NZ 3.17Å; K269-I271 VanDerWaalsContact C-N 3.3Å; K269-I271 PolarHBondContact O-N 3.4Å; K269-L273 WeakPolarHBondContact O-CB 3.37Å; K269-L273 PolarHBondContact O-N 3Å
270S69.1Low76.5Confident91 Ų9180 Ų8064%0.63641%0.411SS*.Hα-helixtrans-61.9-43.2-173.7-172.30000110.2G268 V274G268-S270 PolarHBondContact O-N 3.17Å; S270-V274 WeakPolarHBondContact O-CB 3.41Å; S270-V274 WeakPolarHBondContact O-CG2 3.28Å; S270-V274 PolarHBondContact O-N 3.1Å
271I82Confident77Confident140 Ų14080.3 Ų80.372%0.71842%0.419SS*.Hα-helixtrans-70.2-48.1-177.1-60.2169.6000111.2K269 V274 D275K269-I271 VanDerWaalsContact C-N 3.3Å; K269-I271 PolarHBondContact O-N 3.4Å; I271-V274 PolarHBondContact O-N 3.18Å; I271-D275 PolarHBondContact O-N 3.06Å
272A83.2Confident77.5Confident35 Ų3577.7 Ų77.729%0.28940%0.4SS..Hα-helixtrans-68.6-38.4-177.300000112.4L262 D275 F276L262-A272 HydrophobicContact CD2-CB 3.57Å; A272-D275 PolarHBondContact O-N 3.23Å; A272-F276 PolarHBondContact O-N 3.16Å
273L84.3Confident77.9Confident41 Ų4176.8 Ų76.822%0.21540%0.395CS..Hα-helixtrans-69.2-37.6174.3-173.263.8000111.9L262 K269 F276 H277L262-L273 HydrophobicContact CB-CD1 4.25Å; K269-L273 WeakPolarHBondContact O-CB 3.37Å; K269-L273 PolarHBondContact O-N 3Å; L273-F276 WeakPolarHBondContact O-CB 3.44Å; L273-F276 PolarHBondContact O-N 3.3Å; L273-H277 PolarHBondContact O-CD2 3.32Å; L273-H277 PolarHBondContact O-N 3.5Å
274V84.8Confident78.4Confident90 Ų9080 Ų8055%0.54540%0.403SS..Hα-helixtrans-62.5-43.41721660000110.7S270 I271 F276 H277 R278S270-V274 WeakPolarHBondContact O-CB 3.41Å; S270-V274 WeakPolarHBondContact O-CG2 3.28Å; S270-V274 PolarHBondContact O-N 3.1Å; I271-V274 PolarHBondContact O-N 3.18Å; V274-F276 PolarHBondContact O-N 3.19Å; V274-H277 PolarHBondContact O-N 2.69Å; V274-R278 WeakPolarHBondContact O-CB 3.35Å; V274-R278 PolarHBondContact O-N 2.82Å
275D86.8Confident79.4Confident53 Ų5376.5 Ų76.528%0.28339%0.389SS..Hα-helixtrans-63.3-40.9175.7-176.468.2000112.1I271 A272 H277 R278 R279I271-D275 PolarHBondContact O-N 3.06Å; A272-D275 PolarHBondContact O-N 3.23Å; D275-H277 PolarHBondContact O-N 3.24Å; D275-R278 WeakPolarHBondContact O-CB 3.26Å; D275-R278 PolarHBondContact O-N 2.92Å; D275-R278 IonicContact OD1-CZ 3.39Å; D275-R278 IonicContact OD1-NE 3.75Å; D275-R278 PolarHBondContact OD1-NE 3.27Å; D275-R278 VanDerWaalsContact OD1-NE 3.12Å; D275-R278 IonicContact OD1-NH2 3.91Å; D275-R278 PolarHBondContact OD1-NH2 3.15Å; D275-R279 PolarHBondContact O-N 3.3Å; D275-R279 IonicContact OD2-CZ 2.68Å; D275-R279 IonicContact OD2-NE 3.94Å; D275-R279 PolarHBondContact OD2-NE 2.94Å; D275-R279 IonicContact OD2-NH2 3.81Å; D275-R279 PolarHBondContact OD2-NH2 3.44Å
276F87.9Confident80.7Confident0 Ų071.3 Ų71.30%037%0.365CS..Hα-helixtrans-57.8-49.3173.1-179.6-88.3000111.5F255 E258 W259 L262 A272 L273 V274 R278 R279 H280 F283F255-F276 HydrophobicContact CB-CE2 4.04Å; F255-F276 HydrophobicContact CB-CZ 3.96Å; E258-F276 HydrophobicContact CB-CE2 4.38Å; E258-F276 HydrophobicContact CG-CD2 4.05Å; E258-F276 HydrophobicContact CG-CE2 4.17Å; E258-F276 WeakPolarHBondContact OE1-CD2 3.32Å; W259-F276 HydrophobicContact CB-CE1 4.08Å; W259-F276 HydrophobicContact CB-CE2 4.22Å; W259-F276 HydrophobicContact CB-CZ 3.77Å; W259-F276 AromaticContact CD1-CD1 3.75Å; W259-F276 AromaticContact CD1-CE1 3.43Å; W259-F276 VanDerWaalsContact CD1-CE1 3.43Å; W259-F276 HydrophobicContact CG-CE1 4.05Å; W259-F276 HydrophobicContact CG-CZ 4.24Å; L262-F276 HydrophobicContact CD1-CB 3.7Å; L262-F276 HydrophobicContact CD1-CD2 4.03Å; L262-F276 HydrophobicContact CD1-CG 4.05Å; A272-F276 PolarHBondContact O-N 3.16Å; L273-F276 WeakPolarHBondContact O-CB 3.44Å; L273-F276 PolarHBondContact O-N 3.3Å; V274-F276 PolarHBondContact O-N 3.19Å; F276-R278 VanDerWaalsContact C-N 3.27Å; F276-R278 PolarHBondContact O-N 3.4Å; F276-R279 PolarHBondContact O-N 3.33Å; F276-H280 AromaticContact CD2-CD2 3.91Å; F276-H280 HydrophobicContact CE1-CB 4.26Å; F276-H280 AromaticContact CE2-CD2 3.75Å; F276-H280 HydrophobicContact CZ-CB 4.39Å; F276-H280 WeakPolarHBondContact O-CB 3.42Å; F276-H280 PolarHBondContact O-CD2 3.05Å; F276-H280 PolarHBondContact O-N 3.25Å; F276-F283 HydrophobicContact CE1-CB 4.09Å; F276-F283 AromaticContact CE1-CD1 3.66Å; F276-F283 HydrophobicContact CE1-CD1 3.66Å; F276-F283 HydrophobicContact CE1-CD2 4.23Å; F276-F283 HydrophobicContact CE1-CE1 4.1Å; F276-F283 AromaticContact CE1-CG 3.72Å; F276-F283 HydrophobicContact CE1-CG 3.72Å; F276-F283 HydrophobicContact CZ-CD1 4.06Å; F276-F283 AromaticContact CZ-CD2 3.95Å; F276-F283 HydrophobicContact CZ-CD2 3.95Å; F276-F283 HydrophobicContact CZ-CE1 4.18Å; F276-F283 HydrophobicContact CZ-CE2 4.1Å; F276-F283 AromaticContact CZ-CG 3.94Å; F276-F283 HydrophobicContact CZ-CG 3.94Å; F276-F283 HydrophobicContact CZ-CZ 4.19Å
277H87.3Confident82Confident62 Ų6264 Ų6429%0.28733%0.332SS..Hα-helixtrans-64-32.1178-74.8-46.7000113L273 V274 D275 H280 P281L273-H277 PolarHBondContact O-CD2 3.32Å; L273-H277 PolarHBondContact O-N 3.5Å; V274-H277 PolarHBondContact O-N 2.69Å; D275-H277 PolarHBondContact O-N 3.24Å; H277-H280 CarbonylContact O-C 3.37Å; H277-H280 PolarHBondContact O-N 3.28Å; H277-P281 WeakPolarHBondContact O-CA 3.47Å
278R87.2Confident83.4Confident148 Ų14859.5 Ų59.556%0.55831%0.312SS*.Hα-helixtrans-65.9-40.3173.8-172.3-173.768.286.10.2112.2V274 D275 F276V274-R278 WeakPolarHBondContact O-CB 3.35Å; V274-R278 PolarHBondContact O-N 2.82Å; D275-R278 WeakPolarHBondContact O-CB 3.26Å; D275-R278 PolarHBondContact O-N 2.92Å; D275-R278 IonicContact OD1-CZ 3.39Å; D275-R278 IonicContact OD1-NE 3.75Å; D275-R278 PolarHBondContact OD1-NE 3.27Å; D275-R278 VanDerWaalsContact OD1-NE 3.12Å; D275-R278 IonicContact OD1-NH2 3.91Å; D275-R278 PolarHBondContact OD1-NH2 3.15Å; F276-R278 VanDerWaalsContact C-N 3.27Å; F276-R278 PolarHBondContact O-N 3.4Å
279R86.6Confident84.7Confident46 Ų4658.3 Ų58.317%0.17430%0.295CS..Hα-helixtrans-77.7-25.5176.8-71.3-177.2-73.7113-11.3113.7K210 E258 D275 F276 P281K210-R279 PolarHBondContact NZ-O 2.81Å; K210-R279 VanDerWaalsContact NZ-O 3.13Å; E258-R279 IonicContact OE1-CZ 3Å; E258-R279 IonicContact OE1-NH1 3.25Å; E258-R279 PolarHBondContact OE1-NH1 3.18Å; E258-R279 IonicContact OE1-NH2 3.44Å; E258-R279 PolarHBondContact OE1-NH2 2.9Å; E258-R279 IonicContact OE2-NH1 3.91Å; D275-R279 PolarHBondContact O-N 3.3Å; D275-R279 IonicContact OD2-CZ 2.68Å; D275-R279 IonicContact OD2-NE 3.94Å; D275-R279 PolarHBondContact OD2-NE 2.94Å; D275-R279 IonicContact OD2-NH2 3.81Å; D275-R279 PolarHBondContact OD2-NH2 3.44Å; F276-R279 PolarHBondContact O-N 3.33Å; R279-P281 VanDerWaalsContact C-CD 3.49Å
280H89.3Confident85.7Confident11 Ų1163.6 Ų63.65%0.05132%0.318CS..  trans-129.164.6-176.5-56.3-77.5000112.5Y251 F255 F276 H277 R282 F283Y251-H280 AromaticContact CZ-ND1 3.75Å; Y251-H280 WeakPolarHBondContact OH-CB 3.39Å; Y251-H280 PolarHBondContact OH-ND1 2.79Å; F255-H280 AromaticContact CD1-CE1 3.57Å; F255-H280 AromaticContact CD1-NE2 3.79Å; F255-H280 AromaticContact CE1-CE1 3.25Å; F255-H280 WeakPolarHBondContact CE1-CE1 2.98Å; F255-H280 AromaticContact CE1-NE2 3.72Å; F255-H280 AromaticContact CE2-CE1 3.73Å; F255-H280 AromaticContact CE2-ND1 3.93Å; F255-H280 AromaticContact CG-CE1 3.95Å; F255-H280 AromaticContact CZ-CE1 3.35Å; F255-H280 WeakPolarHBondContact CZ-CE1 3.5Å; F276-H280 AromaticContact CD2-CD2 3.91Å; F276-H280 HydrophobicContact CE1-CB 4.26Å; F276-H280 AromaticContact CE2-CD2 3.75Å; F276-H280 HydrophobicContact CZ-CB 4.39Å; F276-H280 WeakPolarHBondContact O-CB 3.42Å; F276-H280 PolarHBondContact O-CD2 3.05Å; F276-H280 PolarHBondContact O-N 3.25Å; H277-H280 CarbonylContact O-C 3.37Å; H277-H280 PolarHBondContact O-N 3.28Å; H280-R282 PolarHBondContact O-N 3.09Å; H280-R282 VanDerWaalsContact O-N 3.1Å; H280-F283 HydrophobicContact CB-CB 3.82Å; H280-F283 VanDerWaalsContact O-CB 3.29Å; H280-F283 WeakPolarHBondContact O-CB 3.07Å; H280-F283 PolarHBondContact O-N 2.76Å
281P91.2Very high86Confident71 Ų7159.5 Ų59.546%0.46129%0.29SS..THydrogen-bonded Turntrans-59.4-29.8-174.4-2535.3000114.3D176 H277 R279D176-P281 HydrophobicContact CB-CG 4.26Å; H277-P281 WeakPolarHBondContact O-CA 3.47Å; R279-P281 VanDerWaalsContact C-CD 3.49Å
282R91.2Very high85.8Confident7 Ų753 Ų533%0.02626%0.256CS..THydrogen-bonded Turntrans-82.4-11.4176.9-70.5-157.470.7-154.50.4114.5A209 K210 R212 E248 H280 R284 E285 L286A209-R282 WeakPolarHBondContact O-CD 3.23Å; A209-R282 PolarHBondContact O-NH1 3.41Å; K210-R282 WeakPolarHBondContact O-CD 3.28Å; R212-R282 VanDerWaalsContact CA-NH1 3.29Å; E248-R282 IonicContact OE1-NH1 2.82Å; E248-R282 IonicContact OE1-NH2 3.55Å; H280-R282 PolarHBondContact O-N 3.09Å; H280-R282 VanDerWaalsContact O-N 3.1Å; R282-R284 PolarHBondContact O-N 3.34Å; R282-E285 IonicContact NE-OE1 3.45Å; R282-E285 IonicContact NE-OE2 3.36Å; R282-E285 PolarHBondContact NE-OE2 2.64Å; R282-E285 IonicContact NH2-OE1 2.72Å; R282-E285 PolarHBondContact NH2-OE1 3.46Å; R282-E285 PolarHBondContact O-N 3.25Å; R282-L286 HydrophobicContact CB-CD1 4.33Å; R282-L286 HydrophobicContact CB-CG 4.49Å; R282-L286 WeakPolarHBondContact O-CB 3.43Å; R282-L286 VanDerWaalsContact O-CG 3.24Å; R282-L286 WeakPolarHBondContact O-CG 3.48Å; R282-L286 PolarHBondContact O-N 3.09Å
283F90.6Very high85.5Confident0 Ų057.6 Ų57.60%027%0.27CS..Hα-helixtrans-61-50.8-171.8-165.8-89.6000111.5Y251 L252 F255 W259 F276 H280 E285 L286 V287 F304Y251-F283 HydrophobicContact CD1-CD2 4.37Å; Y251-F283 HydrophobicContact CE1-CB 4.43Å; Y251-F283 AromaticContact CE1-CD2 3.84Å; Y251-F283 HydrophobicContact CE1-CD2 3.84Å; L252-F283 HydrophobicContact CD2-CD1 4.43Å; L252-F283 HydrophobicContact CD2-CD2 3.85Å; L252-F283 HydrophobicContact CD2-CE1 4.28Å; L252-F283 HydrophobicContact CD2-CE2 3.65Å; L252-F283 HydrophobicContact CD2-CG 4.24Å; L252-F283 HydrophobicContact CD2-CZ 3.9Å; F255-F283 HydrophobicContact CB-CD2 4.2Å; F255-F283 HydrophobicContact CB-CE2 3.67Å; F255-F283 HydrophobicContact CB-CZ 4.44Å; W259-F283 HydrophobicContact CB-CE1 3.85Å; W259-F283 HydrophobicContact CB-CZ 3.97Å; W259-F283 AromaticContact CD1-CE1 3.8Å; W259-F283 AromaticContact CD2-CE1 3.67Å; W259-F283 HydrophobicContact CD2-CE1 3.67Å; W259-F283 HydrophobicContact CD2-CZ 4.44Å; W259-F283 HydrophobicContact CE3-CE1 4.24Å; W259-F283 HydrophobicContact CG-CD1 4.21Å; W259-F283 AromaticContact CG-CE1 3.47Å; W259-F283 HydrophobicContact CG-CE1 3.47Å; W259-F283 VanDerWaalsContact CG-CE1 3.47Å; W259-F283 HydrophobicContact CG-CZ 4.1Å; F276-F283 HydrophobicContact CE1-CB 4.09Å; F276-F283 AromaticContact CE1-CD1 3.66Å; F276-F283 HydrophobicContact CE1-CD1 3.66Å; F276-F283 HydrophobicContact CE1-CD2 4.23Å; F276-F283 HydrophobicContact CE1-CE1 4.1Å; F276-F283 AromaticContact CE1-CG 3.72Å; F276-F283 HydrophobicContact CE1-CG 3.72Å; F276-F283 HydrophobicContact CZ-CD1 4.06Å; F276-F283 AromaticContact CZ-CD2 3.95Å; F276-F283 HydrophobicContact CZ-CD2 3.95Å; F276-F283 HydrophobicContact CZ-CE1 4.18Å; F276-F283 HydrophobicContact CZ-CE2 4.1Å; F276-F283 AromaticContact CZ-CG 3.94Å; F276-F283 HydrophobicContact CZ-CG 3.94Å; F276-F283 HydrophobicContact CZ-CZ 4.19Å; H280-F283 HydrophobicContact CB-CB 3.82Å; H280-F283 VanDerWaalsContact O-CB 3.29Å; H280-F283 WeakPolarHBondContact O-CB 3.07Å; H280-F283 PolarHBondContact O-N 2.76Å; F283-E285 PolarHBondContact O-N 3.11Å; F283-L286 PolarHBondContact O-N 3.21Å; F283-L286 VanDerWaalsContact O-N 3.07Å; F283-V287 HydrophobicContact CD1-CG2 3.75Å; F283-V287 HydrophobicContact CE1-CG2 3.61Å; F283-V287 HydrophobicContact CZ-CG2 4.38Å; F283-V287 VanDerWaalsContact O-CG2 3.31Å; F283-V287 WeakPolarHBondContact O-CG2 3.45Å; F283-V287 PolarHBondContact O-N 3.09Å; F283-F304 HydrophobicContact CE1-CE1 4.38Å; F283-F304 HydrophobicContact CZ-CE1 4.11Å
284R86.7Confident85.1Confident156 Ų15658.9 Ų58.959%0.58927%0.272SS*.Hα-helixtrans-57.7-47.8178.5-176.7177.3178.3170.21.4112.4R282 L286 V287 E288R282-R284 PolarHBondContact O-N 3.34Å; R284-L286 VanDerWaalsContact C-N 3.26Å; R284-L286 PolarHBondContact O-N 2.94Å; R284-V287 PolarHBondContact O-N 2.87Å; R284-E288 WeakPolarHBondContact CG-OE1 3.5Å; R284-E288 IonicContact NE-OE1 2.73Å; R284-E288 PolarHBondContact NE-OE1 3.15Å; R284-E288 VanDerWaalsContact NE-OE1 3.16Å; R284-E288 WeakPolarHBondContact O-CG 3.3Å; R284-E288 PolarHBondContact O-N 2.9Å; R284-E288 VanDerWaalsContact O-N 3.1Å
285E89.7Confident84.6Confident68 Ų6854.6 Ų54.632%0.31825%0.246SC..Hα-helixtrans-55.7-42.4175.3-178.7-160.3154.300111.4R212 R282 F283 E288 S289R212-E285 IonicContact CZ-OE1 2.67Å; R212-E285 IonicContact CZ-OE2 3.36Å; R212-E285 VanDerWaalsContact CZ-OE2 3.28Å; R212-E285 IonicContact NE-OE1 2.79Å; R212-E285 IonicContact NE-OE2 3.54Å; R212-E285 IonicContact NH1-OE2 3.12Å; R212-E285 IonicContact NH2-OE1 3.78Å; R212-E285 IonicContact NH2-OE2 2.73Å; R212-E285 PolarHBondContact NH2-OE2 2.92Å; R282-E285 IonicContact NE-OE1 3.45Å; R282-E285 IonicContact NE-OE2 3.36Å; R282-E285 PolarHBondContact NE-OE2 2.64Å; R282-E285 IonicContact NH2-OE1 2.72Å; R282-E285 PolarHBondContact NH2-OE1 3.46Å; R282-E285 PolarHBondContact O-N 3.25Å; F283-E285 PolarHBondContact O-N 3.11Å; E285-E288 PolarHBondContact O-N 3.24Å; E285-S289 WeakPolarHBondContact O-CB 2.9Å; E285-S289 PolarHBondContact O-N 2.8Å
286L89.7Confident83.9Confident2 Ų254.4 Ų54.41%0.0125%0.245CC..Hα-helixtrans-71.5-37.2180-70.6176.9000112.7E248 Y251 L252 R282 F283 R284 E288 S289 C292E248-L286 HydrophobicContact CB-CD1 4.42Å; E248-L286 HydrophobicContact CB-CD2 4Å; E248-L286 VanDerWaalsContact CD-CD2 3.49Å; E248-L286 HydrophobicContact CG-CD1 4.25Å; E248-L286 HydrophobicContact CG-CD2 3.59Å; Y251-L286 HydrophobicContact CD1-CD1 3.71Å; Y251-L286 HydrophobicContact CE1-CD1 4.04Å; L252-L286 HydrophobicContact CD1-CB 4.13Å; L252-L286 HydrophobicContact CD2-CB 3.78Å; L252-L286 HydrophobicContact CG-CB 4.08Å; R282-L286 HydrophobicContact CB-CD1 4.33Å; R282-L286 HydrophobicContact CB-CG 4.49Å; R282-L286 WeakPolarHBondContact O-CB 3.43Å; R282-L286 VanDerWaalsContact O-CG 3.24Å; R282-L286 WeakPolarHBondContact O-CG 3.48Å; R282-L286 PolarHBondContact O-N 3.09Å; F283-L286 PolarHBondContact O-N 3.21Å; F283-L286 VanDerWaalsContact O-N 3.07Å; R284-L286 VanDerWaalsContact C-N 3.26Å; R284-L286 PolarHBondContact O-N 2.94Å; L286-E288 VanDerWaalsContact C-N 3.29Å; L286-E288 PolarHBondContact O-N 2.58Å; L286-S289 VanDerWaalsContact O-CB 3.27Å; L286-S289 WeakPolarHBondContact O-CB 3.4Å; L286-S289 PolarHBondContact O-N 2.76Å; L286-S289 PolarHBondContact O-OG 2.84Å; L286-C292 VanDerWaalsContact O-CB 3.31Å; L286-C292 WeakPolarHBondContact O-CB 3.17Å
287V85.6Confident83.2Confident30 Ų3061.6 Ų61.618%0.18228%0.279CS..Hα-helixtrans-60-41.8173177.80000110.8L252 F283 R284 S289 C292 F304L252-V287 HydrophobicContact CD2-CG2 3.8Å; F283-V287 HydrophobicContact CD1-CG2 3.75Å; F283-V287 HydrophobicContact CE1-CG2 3.61Å; F283-V287 HydrophobicContact CZ-CG2 4.38Å; F283-V287 VanDerWaalsContact O-CG2 3.31Å; F283-V287 WeakPolarHBondContact O-CG2 3.45Å; F283-V287 PolarHBondContact O-N 3.09Å; R284-V287 PolarHBondContact O-N 2.87Å; V287-S289 VanDerWaalsContact C-N 3.28Å; V287-S289 PolarHBondContact O-N 2.9Å; V287-C292 VanDerWaalsContact O-CB 3.28Å; V287-C292 WeakPolarHBondContact O-CB 3.24Å; V287-C292 PolarHBondContact O-SG 2.82Å; V287-F304 HydrophobicContact CB-CZ 4.34Å; V287-F304 HydrophobicContact CG1-CE2 3.95Å; V287-F304 HydrophobicContact CG1-CZ 3.88Å; V287-F304 HydrophobicContact CG2-CE1 4.4Å; V287-F304 HydrophobicContact CG2-CZ 3.66Å
288E84.3Confident82.3Confident108 Ų10863 Ų6351%0.50529%0.287SS..Hα-helixtrans-80.6-9.4-179.1-65.4170.8-168.300113.2R284 E285 L286 K293R284-E288 WeakPolarHBondContact CG-OE1 3.5Å; R284-E288 IonicContact NE-OE1 2.73Å; R284-E288 PolarHBondContact NE-OE1 3.15Å; R284-E288 VanDerWaalsContact NE-OE1 3.16Å; R284-E288 WeakPolarHBondContact O-CG 3.3Å; R284-E288 PolarHBondContact O-N 2.9Å; R284-E288 VanDerWaalsContact O-N 3.1Å; E285-E288 PolarHBondContact O-N 3.24Å; L286-E288 VanDerWaalsContact C-N 3.29Å; L286-E288 PolarHBondContact O-N 2.58Å; E288-K293 VanDerWaalsContact O-CE 3.3Å; E288-K293 WeakPolarHBondContact O-CE 3.34Å; E288-K293 PolarHBondContact O-NZ 2.87Å
289S84.1Confident81.2Confident26 Ų2659.1 Ų59.118%0.18228%0.275CS..SBendtrans-69.8161.4-173.878.30000113.8E285 L286 V287 T291 C292 K293E285-S289 WeakPolarHBondContact O-CB 2.9Å; E285-S289 PolarHBondContact O-N 2.8Å; L286-S289 VanDerWaalsContact O-CB 3.27Å; L286-S289 WeakPolarHBondContact O-CB 3.4Å; L286-S289 PolarHBondContact O-N 2.76Å; L286-S289 PolarHBondContact O-OG 2.84Å; V287-S289 VanDerWaalsContact C-N 3.28Å; V287-S289 PolarHBondContact O-N 2.9Å; S289-T291 PolarHBondContact O-N 2.93Å; S289-T291 WeakPolarHBondContact OG-CB 3.43Å; S289-T291 PolarHBondContact OG-N 3.09Å; S289-C292 PolarHBondContact O-N 3.49Å; S289-C292 PolarHBondContact OG-N 3.24Å; S289-K293 WeakPolarHBondContact O-CG 3.16Å; S289-K293 PolarHBondContact O-N 3.45Å
290K78.3Confident80Confident150 Ų15066.2 Ų66.265%0.65231%0.307SS*.Hα-helixtrans-58.4-29.9169.9-68.3178.9174.4-173.80112.3F237 W294F237-K290 HydrophobicContact CE1-CD 4.13Å; F237-K290 HydrophobicContact CZ-CD 3.87Å; K290-W294 WeakPolarHBondContact O-CB 3.38Å; K290-W294 PolarHBondContact O-N 2.91Å
291T76.1Confident78.8Confident6 Ų668 Ų684%0.03732%0.316CS..Hα-helixtrans-61.8-51.5178.7-66.10000111.2R245 E248 L249 S289 W294 F295R245-T291 HydrophobicContact CB-CG2 4.47Å; R245-T291 HydrophobicContact CG-CG2 3.5Å; R245-T291 VanDerWaalsContact CG-CG2 3.5Å; E248-T291 HydrophobicContact CB-CG2 4.18Å; E248-T291 PolarHBondContact OE2-OG1 3.2Å; E248-T291 VanDerWaalsContact OE2-OG1 3.08Å; L249-T291 HydrophobicContact CD1-CG2 4.36Å; L249-T291 HydrophobicContact CD2-CG2 3.8Å; L249-T291 HydrophobicContact CG-CG2 3.68Å; S289-T291 PolarHBondContact O-N 2.93Å; S289-T291 WeakPolarHBondContact OG-CB 3.43Å; S289-T291 PolarHBondContact OG-N 3.09Å; T291-W294 PolarHBondContact O-N 2.87Å; T291-F295 PolarHBondContact O-N 3.04Å; T291-F295 VanDerWaalsContact O-N 3.13Å
292C76Confident77.7Confident3 Ų367.5 Ų67.52%0.0231%0.309CS..Hα-helixtrans-66.4-46179.1-176.10000111.5L252 L286 V287 S289 W294 F295 N296L252-C292 HydrophobicContact CD1-CB 4.04Å; L286-C292 VanDerWaalsContact O-CB 3.31Å; L286-C292 WeakPolarHBondContact O-CB 3.17Å; V287-C292 VanDerWaalsContact O-CB 3.28Å; V287-C292 WeakPolarHBondContact O-CB 3.24Å; V287-C292 PolarHBondContact O-SG 2.82Å; S289-C292 PolarHBondContact O-N 3.49Å; S289-C292 PolarHBondContact OG-N 3.24Å; C292-W294 VanDerWaalsContact C-N 3.32Å; C292-W294 PolarHBondContact O-N 3.04Å; C292-F295 WeakPolarHBondContact O-CB 3.23Å; C292-F295 PolarHBondContact O-N 2.67Å; C292-F295 VanDerWaalsContact O-N 3.13Å; C292-N296 PolarHBondContact O-N 2.6Å
293K78.7Confident76.5Confident132 Ų13267.3 Ų67.357%0.57431%0.309SS*.Hα-helixtrans-58.5-43.1177-69.3175.2-179.4170.30112.4E288 S289 N296 Q297E288-K293 VanDerWaalsContact O-CE 3.3Å; E288-K293 WeakPolarHBondContact O-CE 3.34Å; E288-K293 PolarHBondContact O-NZ 2.87Å; S289-K293 WeakPolarHBondContact O-CG 3.16Å; S289-K293 PolarHBondContact O-N 3.45Å; K293-N296 PolarHBondContact O-N 3.05Å; K293-Q297 VanDerWaalsContact O-CB 3.3Å; K293-Q297 WeakPolarHBondContact O-CB 3.28Å; K293-Q297 PolarHBondContact O-N 3.07Å
294W75.1Confident75.5Confident67 Ų6768.9 Ų68.925%0.25432%0.316SS..Hα-helixtrans-60.7-43.4175.6171.488.9000112R245 L249 K290 T291 C292 Q297 I298R245-W294 VanDerWaalsContact NH1-CD2 3.32Å; L249-W294 HydrophobicContact CD1-CZ3 4.15Å; K290-W294 WeakPolarHBondContact O-CB 3.38Å; K290-W294 PolarHBondContact O-N 2.91Å; T291-W294 PolarHBondContact O-N 2.87Å; C292-W294 VanDerWaalsContact C-N 3.32Å; C292-W294 PolarHBondContact O-N 3.04Å; W294-Q297 PolarHBondContact O-N 2.98Å; W294-I298 HydrophobicContact CD2-CD1 4.04Å; W294-I298 HydrophobicContact CG-CD1 4.41Å; W294-I298 HydrophobicContact CH2-CD1 4.3Å; W294-I298 HydrophobicContact CZ2-CD1 3.42Å; W294-I298 VanDerWaalsContact CZ2-CD1 3.42Å; W294-I298 WeakPolarHBondContact O-CB 3.33Å; W294-I298 WeakPolarHBondContact O-CG1 3.31Å; W294-I298 PolarHBondContact O-N 3.09Å
295F74.2Confident74.2Confident0 Ų068.1 Ų68.10%032%0.319CS..Hα-helixtrans-60.8-52.1177.2-177.8-82.4000110.8L249 T291 C292 Q297 I298 F299 L303 Y306L249-F295 HydrophobicContact CD1-CD2 3.89Å; L249-F295 HydrophobicContact CD2-CB 3.74Å; L249-F295 HydrophobicContact CD2-CD2 3.93Å; L249-F295 HydrophobicContact CD2-CG 3.99Å; T291-F295 PolarHBondContact O-N 3.04Å; T291-F295 VanDerWaalsContact O-N 3.13Å; C292-F295 WeakPolarHBondContact O-CB 3.23Å; C292-F295 PolarHBondContact O-N 2.67Å; C292-F295 VanDerWaalsContact O-N 3.13Å; F295-Q297 VanDerWaalsContact C-N 3.26Å; F295-Q297 PolarHBondContact O-N 2.65Å; F295-I298 PolarHBondContact O-N 3.04Å; F295-F299 HydrophobicContact CD1-CD2 4.04Å; F295-F299 AromaticContact CD2-CD2 3.45Å; F295-F299 HydrophobicContact CD2-CD2 3.45Å; F295-F299 VanDerWaalsContact CD2-CD2 3.45Å; F295-F299 AromaticContact CD2-CE2 3.52Å; F295-F299 HydrophobicContact CD2-CE2 3.52Å; F295-F299 HydrophobicContact CE1-CB 4.36Å; F295-F299 HydrophobicContact CE1-CD2 4.03Å; F295-F299 HydrophobicContact CE1-CG 4.46Å; F295-F299 AromaticContact CE2-CD2 3.45Å; F295-F299 HydrophobicContact CE2-CD2 3.45Å; F295-F299 VanDerWaalsContact CE2-CD2 3.45Å; F295-F299 AromaticContact CE2-CE2 3.53Å; F295-F299 HydrophobicContact CE2-CE2 3.53Å; F295-F299 HydrophobicContact CE2-CG 4.33Å; F295-F299 HydrophobicContact CE2-CZ 4.44Å; F295-F299 AromaticContact CG-CD2 3.77Å; F295-F299 HydrophobicContact CG-CD2 3.77Å; F295-F299 HydrophobicContact CG-CE2 4.25Å; F295-F299 AromaticContact CZ-CD2 3.75Å; F295-F299 HydrophobicContact CZ-CD2 3.75Å; F295-F299 HydrophobicContact CZ-CE2 4.25Å; F295-F299 HydrophobicContact CZ-CG 4.24Å; F295-F299 WeakPolarHBondContact O-CD2 3.33Å; F295-F299 PolarHBondContact O-N 2.74Å; F295-L303 HydrophobicContact CD1-CB 3.86Å; F295-L303 HydrophobicContact CD1-CD1 3.55Å; F295-L303 HydrophobicContact CD1-CG 4.27Å; F295-L303 HydrophobicContact CD2-CD1 4.18Å; F295-L303 HydrophobicContact CE1-CB 4.04Å; F295-L303 HydrophobicContact CE1-CD1 3.4Å; F295-L303 VanDerWaalsContact CE1-CD1 3.4Å; F295-L303 HydrophobicContact CE1-CG 4.35Å; F295-L303 HydrophobicContact CE2-CD1 4.05Å; F295-L303 HydrophobicContact CG-CD1 3.95Å; F295-L303 HydrophobicContact CZ-CD1 3.66Å; F295-Y306 HydrophobicContact CZ-CD2 4.19Å; F295-Y306 HydrophobicContact CZ-CE2 4.29Å; F295-Y306 HydrophobicContact CZ-CG 4.4Å
296N72.9Confident72.6Confident49 Ų4966.3 Ų66.326%0.26231%0.31SS..Hα-helixtrans-60.2-38.6-179.8-70.3-3.4000111.7C292 K293 K300 I301 L303C292-N296 PolarHBondContact O-N 2.6Å; K293-N296 PolarHBondContact O-N 3.05Å; N296-K300 WeakPolarHBondContact O-CA 3.41Å; N296-K300 PolarHBondContact O-N 2.97Å; N296-I301 PolarHBondContact OD1-O 3.21Å; N296-L303 WeakPolarHBondContact OD1-CB 3.41Å; N296-L303 PolarHBondContact OD1-N 2.84Å
297Q72.1Confident70.8Confident152 Ų15270.1 Ų70.171%0.7133%0.333SS*.Hα-helixtrans-68-44178.5-173.6178.57.400112.7K293 W294 F295K293-Q297 VanDerWaalsContact O-CB 3.3Å; K293-Q297 WeakPolarHBondContact O-CB 3.28Å; K293-Q297 PolarHBondContact O-N 3.07Å; W294-Q297 PolarHBondContact O-N 2.98Å; F295-Q297 VanDerWaalsContact C-N 3.26Å; F295-Q297 PolarHBondContact O-N 2.65Å
298I68.7Low69Low92 Ų9273.3 Ų73.347%0.47235%0.352SS..Hα-helixtrans-73.1-47.4-177.5-73-163.9000111.6W294 F295 K300W294-I298 HydrophobicContact CD2-CD1 4.04Å; W294-I298 HydrophobicContact CG-CD1 4.41Å; W294-I298 HydrophobicContact CH2-CD1 4.3Å; W294-I298 HydrophobicContact CZ2-CD1 3.42Å; W294-I298 VanDerWaalsContact CZ2-CD1 3.42Å; W294-I298 WeakPolarHBondContact O-CB 3.33Å; W294-I298 WeakPolarHBondContact O-CG1 3.31Å; W294-I298 PolarHBondContact O-N 3.09Å; F295-I298 PolarHBondContact O-N 3.04Å; I298-K300 VanDerWaalsContact C-N 3.32Å
299F65Low67.1Low66 Ų6675.8 Ų75.829%0.28936%0.363SS..Hα-helixtrans-84.5-11.8-175-67.1-72.7000112.6F295 I301 Y314F295-F299 HydrophobicContact CD1-CD2 4.04Å; F295-F299 AromaticContact CD2-CD2 3.45Å; F295-F299 HydrophobicContact CD2-CD2 3.45Å; F295-F299 VanDerWaalsContact CD2-CD2 3.45Å; F295-F299 AromaticContact CD2-CE2 3.52Å; F295-F299 HydrophobicContact CD2-CE2 3.52Å; F295-F299 HydrophobicContact CE1-CB 4.36Å; F295-F299 HydrophobicContact CE1-CD2 4.03Å; F295-F299 HydrophobicContact CE1-CG 4.46Å; F295-F299 AromaticContact CE2-CD2 3.45Å; F295-F299 HydrophobicContact CE2-CD2 3.45Å; F295-F299 VanDerWaalsContact CE2-CD2 3.45Å; F295-F299 AromaticContact CE2-CE2 3.53Å; F295-F299 HydrophobicContact CE2-CE2 3.53Å; F295-F299 HydrophobicContact CE2-CG 4.33Å; F295-F299 HydrophobicContact CE2-CZ 4.44Å; F295-F299 AromaticContact CG-CD2 3.77Å; F295-F299 HydrophobicContact CG-CD2 3.77Å; F295-F299 HydrophobicContact CG-CE2 4.25Å; F295-F299 AromaticContact CZ-CD2 3.75Å; F295-F299 HydrophobicContact CZ-CD2 3.75Å; F295-F299 HydrophobicContact CZ-CE2 4.25Å; F295-F299 HydrophobicContact CZ-CG 4.24Å; F295-F299 WeakPolarHBondContact O-CD2 3.33Å; F295-F299 PolarHBondContact O-N 2.74Å; F299-I301 HydrophobicContact CB-CB 4.38Å; F299-I301 HydrophobicContact CB-CD1 4.48Å; F299-I301 WeakPolarHBondContact O-CG1 3.49Å; F299-I301 PolarHBondContact O-N 3.07Å; F299-Y314 HydrophobicContact CZ-CE2 4.39Å
300K60.6Low65.5Low195 Ų19578.6 Ų78.685%0.84837%0.373SS*.  trans49.727.8-172.6-60.5-175.8177.4-178.60112.4N296 I298N296-K300 WeakPolarHBondContact O-CA 3.41Å; N296-K300 PolarHBondContact O-N 2.97Å; I298-K300 VanDerWaalsContact C-N 3.32Å
301I63.4Low63.9Low49 Ų4977.2 Ų77.225%0.25136%0.364SS..SBendtrans-125.8131.7179.3-65.6159.8000105.5N296 F299 L303 Y306N296-I301 PolarHBondContact OD1-O 3.21Å; F299-I301 HydrophobicContact CB-CB 4.38Å; F299-I301 HydrophobicContact CB-CD1 4.48Å; F299-I301 WeakPolarHBondContact O-CG1 3.49Å; F299-I301 PolarHBondContact O-N 3.07Å; I301-L303 PolarHBondContact O-N 3.49Å; I301-Y306 HydrophobicContact CB-CD2 4.5Å; I301-Y306 HydrophobicContact CD1-CD2 4.18Å; I301-Y306 HydrophobicContact CD1-CE2 4.29Å; I301-Y306 HydrophobicContact CG2-CD2 3.9Å
302D68.8Low62.1Low59 Ų5984.2 Ų84.232%0.31639%0.394SS..  trans-61.3120.3167.8-177.7-0.3000108.3F304 Q305 Y306D302-F304 PolarHBondContact O-N 2.86Å; D302-F304 WeakPolarHBondContact OD1-CD2 3.16Å; D302-F304 PolarHBondContact OD1-N 3.42Å; D302-Q305 HydrophobicContact CB-CB 4.08Å; D302-Q305 HydrophobicContact CB-CG 3.91Å; D302-Q305 CarbonylContact O-C 3.59Å; D302-Q305 WeakPolarHBondContact O-CA 3.38Å; D302-Q305 PolarHBondContact O-N 3.46Å; D302-Y306 PolarHBondContact O-N 2.79Å; D302-Y306 VanDerWaalsContact O-N 3.15Å
303L67Low60.4Low3 Ų387.4 Ų87.42%0.01642%0.416CS..THydrogen-bonded Turntrans-45.5-34.1174.7-175.967.2000112L249 L252 Q253 F295 N296 I301 Y306L249-L303 HydrophobicContact CD2-CD1 4.32Å; L249-L303 HydrophobicContact CD2-CD2 4.16Å; L252-L303 HydrophobicContact CB-CD2 3.74Å; L252-L303 HydrophobicContact CD1-CD2 3.73Å; L252-L303 HydrophobicContact CG-CD2 4.39Å; Q253-L303 HydrophobicContact CG-CD1 3.56Å; Q253-L303 HydrophobicContact CG-CG 4.23Å; F295-L303 HydrophobicContact CD1-CB 3.86Å; F295-L303 HydrophobicContact CD1-CD1 3.55Å; F295-L303 HydrophobicContact CD1-CG 4.27Å; F295-L303 HydrophobicContact CD2-CD1 4.18Å; F295-L303 HydrophobicContact CE1-CB 4.04Å; F295-L303 HydrophobicContact CE1-CD1 3.4Å; F295-L303 VanDerWaalsContact CE1-CD1 3.4Å; F295-L303 HydrophobicContact CE1-CG 4.35Å; F295-L303 HydrophobicContact CE2-CD1 4.05Å; F295-L303 HydrophobicContact CG-CD1 3.95Å; F295-L303 HydrophobicContact CZ-CD1 3.66Å; N296-L303 WeakPolarHBondContact OD1-CB 3.41Å; N296-L303 PolarHBondContact OD1-N 2.84Å; I301-L303 PolarHBondContact O-N 3.49Å; L303-Y306 WeakPolarHBondContact O-CB 3.37Å; L303-Y306 PolarHBondContact O-N 3.2Å
304F68.2Low58.5Low33 Ų3383 Ų8315%0.14540%0.396CS..THydrogen-bonded Turntrans-81.6-12.8-179.9-55.2-69.9000114.2A256 W259 F283 V287 D302A256-F304 HydrophobicContact CB-CD1 3.73Å; A256-F304 HydrophobicContact CB-CE1 4.26Å; W259-F304 AromaticContact CE3-CD1 3.94Å; W259-F304 HydrophobicContact CE3-CD1 3.94Å; W259-F304 AromaticContact CE3-CE1 3.9Å; W259-F304 HydrophobicContact CE3-CE1 3.9Å; W259-F304 HydrophobicContact CE3-CG 4.45Å; W259-F304 HydrophobicContact CE3-CZ 4.36Å; W259-F304 HydrophobicContact CZ3-CD1 4.04Å; W259-F304 HydrophobicContact CZ3-CD2 4.15Å; W259-F304 AromaticContact CZ3-CE1 3.99Å; W259-F304 HydrophobicContact CZ3-CE1 3.99Å; W259-F304 HydrophobicContact CZ3-CE2 4.1Å; W259-F304 HydrophobicContact CZ3-CG 4.15Å; W259-F304 HydrophobicContact CZ3-CZ 4.03Å; F283-F304 HydrophobicContact CE1-CE1 4.38Å; F283-F304 HydrophobicContact CZ-CE1 4.11Å; V287-F304 HydrophobicContact CB-CZ 4.34Å; V287-F304 HydrophobicContact CG1-CE2 3.95Å; V287-F304 HydrophobicContact CG1-CZ 3.88Å; V287-F304 HydrophobicContact CG2-CE1 4.4Å; V287-F304 HydrophobicContact CG2-CZ 3.66Å; D302-F304 PolarHBondContact O-N 2.86Å; D302-F304 WeakPolarHBondContact OD1-CD2 3.16Å; D302-F304 PolarHBondContact OD1-N 3.42Å
305Q60.5Low57Low140 Ų14083.8 Ų83.865%0.65441%0.408SS*.THydrogen-bonded Turntrans-99.2-5.2171.1-64.5-174.6-1100112.9D302 T307D302-Q305 HydrophobicContact CB-CB 4.08Å; D302-Q305 HydrophobicContact CB-CG 3.91Å; D302-Q305 CarbonylContact O-C 3.59Å; D302-Q305 WeakPolarHBondContact O-CA 3.38Å; D302-Q305 PolarHBondContact O-N 3.46Å; Q305-T307 PolarHBondContact O-N 2.74Å
306Y55.3Low55.2Low31 Ų3187.9 Ų87.912%0.12243%0.43CS..  trans-70.1101.2-178.6-165.5-97.8000111.3F295 I301 D302 L303 H310F295-Y306 HydrophobicContact CZ-CD2 4.19Å; F295-Y306 HydrophobicContact CZ-CE2 4.29Å; F295-Y306 HydrophobicContact CZ-CG 4.4Å; I301-Y306 HydrophobicContact CB-CD2 4.5Å; I301-Y306 HydrophobicContact CD1-CD2 4.18Å; I301-Y306 HydrophobicContact CD1-CE2 4.29Å; I301-Y306 HydrophobicContact CG2-CD2 3.9Å; D302-Y306 PolarHBondContact O-N 2.79Å; D302-Y306 VanDerWaalsContact O-N 3.15Å; L303-Y306 WeakPolarHBondContact O-CB 3.37Å; L303-Y306 PolarHBondContact O-N 3.2Å; Y306-H310 HydrophobicContact CD1-CB 4.05Å; Y306-H310 HydrophobicContact CD2-CB 3.94Å; Y306-H310 HydrophobicContact CE1-CB 3.5Å; Y306-H310 VanDerWaalsContact CE1-CB 3.5Å; Y306-H310 HydrophobicContact CE2-CB 3.37Å; Y306-H310 AromaticContact CE2-CG 3.82Å; Y306-H310 HydrophobicContact CG-CB 4.27Å; Y306-H310 WeakPolarHBondContact OH-CB 3.35Å; Y306-H310 PolarHBondContact OH-O 3.18Å
307T52.2Low53.5Low82 Ų8290 Ų9050%0.50344%0.44SS..  trans-77.3160-176.159.70000113.3Q305 H309 H310Q305-T307 PolarHBondContact O-N 2.74Å; T307-H309 PolarHBondContact O-N 3.11Å; T307-H310 PolarHBondContact O-N 2.97Å
308V47.8Very low52.1Low96 Ų9687.1 Ų87.158%0.58243%0.429SS*.Hα-helixtrans-52.6-28.4-179.9177.90000113.2H310 R311V308-H310 VanDerWaalsContact C-N 3.28Å; V308-H310 PolarHBondContact O-N 3.35Å; V308-R311 VanDerWaalsContact O-CB 3.24Å; V308-R311 WeakPolarHBondContact O-CB 3.1Å; V308-R311 PolarHBondContact O-N 2.76Å
309H44.3Very low50.6Low161 Ų16185.4 Ų85.475%0.74543%0.426SS*.Hα-helixtrans-61.8-34.5176.3-103.1-65.9000113.3T307 R311T307-H309 PolarHBondContact O-N 3.11Å; H309-R311 VanDerWaalsContact C-N 3.3Å; H309-R311 PolarHBondContact O-N 3.02Å
310H49.9Very low49.2Very low84 Ų8488.8 Ų88.839%0.38945%0.446SS..Hα-helixtrans-75.7-17.6175.7-72.4-85.9000113.1Y306 T307 V308 K312 C313 Y314Y306-H310 HydrophobicContact CD1-CB 4.05Å; Y306-H310 HydrophobicContact CD2-CB 3.94Å; Y306-H310 HydrophobicContact CE1-CB 3.5Å; Y306-H310 VanDerWaalsContact CE1-CB 3.5Å; Y306-H310 HydrophobicContact CE2-CB 3.37Å; Y306-H310 AromaticContact CE2-CG 3.82Å; Y306-H310 HydrophobicContact CG-CB 4.27Å; Y306-H310 WeakPolarHBondContact OH-CB 3.35Å; Y306-H310 PolarHBondContact OH-O 3.18Å; T307-H310 PolarHBondContact O-N 2.97Å; V308-H310 VanDerWaalsContact C-N 3.28Å; V308-H310 PolarHBondContact O-N 3.35Å; H310-K312 VanDerWaalsContact C-N 3.27Å; H310-K312 PolarHBondContact O-N 3.47Å; H310-C313 WeakPolarHBondContact O-CB 3.3Å; H310-C313 PolarHBondContact O-N 2.99Å; H310-Y314 PolarHBondContact O-N 2.83Å
311R44.9Very low48.4Very low122 Ų12286.8 Ų86.846%0.4643%0.433SS..Hα-helixtrans-58.6-36.6177.5-69-177.1-172.4-179.60112.7V308 H309 C313 Y314 T315V308-R311 VanDerWaalsContact O-CB 3.24Å; V308-R311 WeakPolarHBondContact O-CB 3.1Å; V308-R311 PolarHBondContact O-N 2.76Å; H309-R311 VanDerWaalsContact C-N 3.3Å; H309-R311 PolarHBondContact O-N 3.02Å; R311-C313 VanDerWaalsContact C-N 3.26Å; R311-C313 PolarHBondContact O-N 3.36Å; R311-Y314 PolarHBondContact O-N 2.97Å; R311-T315 PolarHBondContact O-N 3Å; R311-T315 PolarHBondContact O-OG1 2.89Å; R311-T315 VanDerWaalsContact O-OG1 3.08Å
312K38.2Very low47.3Very low153 Ų15389.9 Ų89.967%0.66545%0.454SS*.Hα-helixtrans-63.9-32176.8-72.7-174178-1790112.3H310 T315 N316H310-K312 VanDerWaalsContact C-N 3.27Å; H310-K312 PolarHBondContact O-N 3.47Å; K312-T315 PolarHBondContact O-OG1 2.63Å; K312-N316 VanDerWaalsContact O-CB 3.28Å; K312-N316 WeakPolarHBondContact O-CB 3.22Å; K312-N316 PolarHBondContact O-N 2.99Å; K312-N316 PolarHBondContact O-ND2 3.43Å
313C40.7Very low45.5Very low70 Ų7092.3 Ų92.347%0.47347%0.474SS..Hα-helixtrans-74.9-35.8176.8-63.20000111.7H310 R311 N316 L317H310-C313 WeakPolarHBondContact O-CB 3.3Å; H310-C313 PolarHBondContact O-N 2.99Å; R311-C313 VanDerWaalsContact C-N 3.26Å; R311-C313 PolarHBondContact O-N 3.36Å; C313-N316 PolarHBondContact O-N 2.72Å; C313-L317 WeakPolarHBondContact O-CB 3.23Å; C313-L317 WeakPolarHBondContact O-CD1 3.17Å; C313-L317 VanDerWaalsContact O-CG 3.29Å; C313-L317 WeakPolarHBondContact O-CG 3.3Å; C313-L317 PolarHBondContact O-N 2.84Å
314Y39.5Very low43.7Very low39 Ų39101.7 Ų101.715%0.15354%0.538CS..Hα-helixtrans-71.6-43.3178.7-168.3-105.1000112.5F299 H310 R311 N316 L317 I318F299-Y314 HydrophobicContact CZ-CE2 4.39Å; H310-Y314 PolarHBondContact O-N 2.83Å; R311-Y314 PolarHBondContact O-N 2.97Å; Y314-N316 VanDerWaalsContact C-N 3.29Å; Y314-N316 PolarHBondContact O-N 2.99Å; Y314-L317 PolarHBondContact O-N 2.82Å; Y314-I318 HydrophobicContact CD1-CD1 3.71Å; Y314-I318 HydrophobicContact CE1-CD1 3.27Å; Y314-I318 HydrophobicContact CE1-CG1 4.48Å; Y314-I318 HydrophobicContact CE2-CD1 4.3Å; Y314-I318 HydrophobicContact CG-CD1 4.4Å; Y314-I318 WeakPolarHBondContact O-CG1 3.29Å; Y314-I318 PolarHBondContact O-N 3.02Å
315T42.3Very low42.5Very low83 Ų83105.2 Ų105.251%0.50956%0.558SS.*Hα-helixtrans-63.6-37173.249.10000111.5R311 K312 I318 S319R311-T315 PolarHBondContact O-N 3Å; R311-T315 PolarHBondContact O-OG1 2.89Å; R311-T315 VanDerWaalsContact O-OG1 3.08Å; K312-T315 PolarHBondContact O-OG1 2.63Å; T315-I318 PolarHBondContact O-N 3.05Å; T315-S319 WeakPolarHBondContact O-CB 2.84Å; T315-S319 PolarHBondContact O-N 3.15Å; T315-S319 PolarHBondContact O-OG 3.39Å
316N35.8Very low41.5Very low86 Ų86103.3 Ų103.346%0.4655%0.553SS.*Hα-helixtrans-69.8-35.2173.7-73.8-15.7000113.1K312 C313 Y314 I318 S319 L320K312-N316 VanDerWaalsContact O-CB 3.28Å; K312-N316 WeakPolarHBondContact O-CB 3.22Å; K312-N316 PolarHBondContact O-N 2.99Å; K312-N316 PolarHBondContact O-ND2 3.43Å; C313-N316 PolarHBondContact O-N 2.72Å; Y314-N316 VanDerWaalsContact C-N 3.29Å; Y314-N316 PolarHBondContact O-N 2.99Å; N316-I318 VanDerWaalsContact C-N 3.29Å; N316-I318 PolarHBondContact O-N 3.38Å; N316-S319 WeakPolarHBondContact CA-OG 3.49Å; N316-L320 HydrophobicContact CB-CD1 4.15Å; N316-L320 WeakPolarHBondContact O-CB 3.4Å; N316-L320 VanDerWaalsContact O-CD1 3.3Å; N316-L320 WeakPolarHBondContact O-CD1 3.32Å; N316-L320 WeakPolarHBondContact O-CG 3.21Å; N316-L320 PolarHBondContact O-N 3.24Å
317L39Very low40.7Very low93 Ų93107.3 Ų107.349%0.48758%0.577SS.*Hα-helixtrans-69.4-26.8175.4-81.9160.3000113C313 Y314 R321C313-L317 WeakPolarHBondContact O-CB 3.23Å; C313-L317 WeakPolarHBondContact O-CD1 3.17Å; C313-L317 VanDerWaalsContact O-CG 3.29Å; C313-L317 WeakPolarHBondContact O-CG 3.3Å; C313-L317 PolarHBondContact O-N 2.84Å; Y314-L317 PolarHBondContact O-N 2.82Å; L317-R321 WeakPolarHBondContact O-CD 3.17Å
318I41.1Very low40.1Very low93 Ų93108.8 Ų108.848%0.47758%0.581SS.*Hα-helixtrans-86.7-39.9174.6-65.6174.3000111.2Y314 T315 N316 R321Y314-I318 HydrophobicContact CD1-CD1 3.71Å; Y314-I318 HydrophobicContact CE1-CD1 3.27Å; Y314-I318 HydrophobicContact CE1-CG1 4.48Å; Y314-I318 HydrophobicContact CE2-CD1 4.3Å; Y314-I318 HydrophobicContact CG-CD1 4.4Å; Y314-I318 WeakPolarHBondContact O-CG1 3.29Å; Y314-I318 PolarHBondContact O-N 3.02Å; T315-I318 PolarHBondContact O-N 3.05Å; N316-I318 VanDerWaalsContact C-N 3.29Å; N316-I318 PolarHBondContact O-N 3.38Å; I318-R321 PolarHBondContact O-N 3.46Å
319S37.7Very low39.6Very low56 Ų56109.6 Ų109.639%0.39258%0.581SS.*Hα-helixtrans-79.9-30.2-177.673.50000114T315 N316 R321 T322T315-S319 WeakPolarHBondContact O-CB 2.84Å; T315-S319 PolarHBondContact O-N 3.15Å; T315-S319 PolarHBondContact O-OG 3.39Å; N316-S319 WeakPolarHBondContact CA-OG 3.49Å; S319-R321 PolarHBondContact O-N 3.02Å; S319-R321 VanDerWaalsContact O-N 3.14Å; S319-T322 PolarHBondContact O-N 3.33Å; S319-T322 PolarHBondContact O-OG1 3.24Å
320L36.3Very low39.3Very low136 Ų136106.2 Ų106.271%0.71257%0.57SS**THydrogen-bonded Turntrans-70.8-1.8172.7-72.3162.9000112.9N316N316-L320 HydrophobicContact CB-CD1 4.15Å; N316-L320 WeakPolarHBondContact O-CB 3.4Å; N316-L320 VanDerWaalsContact O-CD1 3.3Å; N316-L320 WeakPolarHBondContact O-CD1 3.32Å; N316-L320 WeakPolarHBondContact O-CG 3.21Å; N316-L320 PolarHBondContact O-N 3.24Å
321R42.8Very low38.5Very low154 Ų154107.8 Ų107.858%0.58158%0.583SS**THydrogen-bonded Turntrans-114.22.9178.9-67.4-176.1176-166.61.4114.1L317 I318 S319L317-R321 WeakPolarHBondContact O-CD 3.17Å; I318-R321 PolarHBondContact O-N 3.46Å; S319-R321 PolarHBondContact O-N 3.02Å; S319-R321 VanDerWaalsContact O-N 3.14Å
322T40.4Very low38Very low113 Ų113106.7 Ų106.769%0.69359%0.593SS**SBendtrans-98.22.8172.137.40000113.9S319S319-T322 PolarHBondContact O-N 3.33Å; S319-T322 PolarHBondContact O-OG1 3.24Å
323C30.5Very low38Very low110 Ų110102.8 Ų102.874%0.74359%0.587SS**  trans-114.370170.8-71.80000110.3
324C29.9Very low37.8Very low201 Ų201105.8 Ų105.8100%1.35860%0.597SS**  trans-168.90158.1-92.40000109.2

Retrieved 324 of 324 residues in 162.4 ms (Link to these results)

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