A0A077Z4Q1_TRITR Loading...

Transmembrane 9 superfamily member

AlphaFold DB , UniProt , Accession A0A077Z4Q1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 561 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
1M52.8Low83.2Confident192 Ų19284.4 Ų84.495%0.94641%0.409SS*.  0113.70-94.9176.4-175.600106.6F176M1-F176 HydrophobicContact CE-CE1 4.26Å; M1-F176 HydrophobicContact CG-CE1 4.28Å
2F69.7Low83.8Confident117 Ų11777.4 Ų77.451%0.51338%0.375SS..  trans-90.9119.6-176.4-57.7-78.9000108.6Y4 D104F2-Y4 HydrophobicContact CB-CD2 4.42Å; F2-Y4 HydrophobicContact CB-CE2 3.63Å; F2-D104 WeakPolarHBondContact CB-OD1 3.43Å; F2-D104 WeakPolarHBondContact CD2-OD1 3.35Å
3Q84.7Confident84.3Confident127 Ų12774.8 Ų74.859%0.59336%0.359SS*.  trans-103129.6163.6-73.5-179.9-19.300105.8Q140Q3-Q140 HydrophobicContact CB-CB 4.44Å
4Y88.4Confident84.7Confident21 Ų2169.6 Ų69.68%0.08234%0.335CS..  trans-105.3132.5-179.2-62.5-87.9000109.5F2 E8 V10 F67 D104 Q140 I142F2-Y4 HydrophobicContact CB-CD2 4.42Å; F2-Y4 HydrophobicContact CB-CE2 3.63Å; Y4-E8 HydrophobicContact CD1-CG 4.46Å; Y4-V10 HydrophobicContact CD1-CG2 4.04Å; Y4-V10 HydrophobicContact CE1-CG2 4.15Å; Y4-F67 HydrophobicContact CD2-CD2 4.44Å; Y4-F67 HydrophobicContact CG-CD2 4.13Å; Y4-F67 HydrophobicContact CG-CG 4.36Å; Y4-F67 WeakPolarHBondContact O-CE1 3.12Å; Y4-D104 PolarHBondContact OH-OD1 3.46Å; Y4-Q140 PolarHBondContact N-O 3.42Å; Y4-Q140 WeakPolarHBondContact O-CB 3.49Å; Y4-I142 HydrophobicContact CD2-CD1 4.37Å; Y4-I142 HydrophobicContact CD2-CG1 4.29Å; Y4-I142 HydrophobicContact CE2-CD1 4.01Å; Y4-I142 HydrophobicContact CE2-CG1 4.22Å
5N89.7Confident85Confident98 Ų9865.4 Ų65.452%0.52432%0.315SS..  trans-79.1157.9167.7-65-63.1000110.5G7 E8 F67N5-G7 PolarHBondContact O-N 2.64Å; N5-E8 HydrophobicContact CB-CB 4.31Å; N5-E8 PolarHBondContact N-OE2 3.2Å; N5-E8 PolarHBondContact ND2-OE2 3.31Å; N5-E8 WeakPolarHBondContact O-CB 3.48Å; N5-E8 PolarHBondContact O-N 3.36Å; N5-F67 WeakPolarHBondContact O-CD1 3.41Å
6Y90.5Very high85.4Confident169 Ų16961.6 Ų61.666%0.66330%0.297SS*.THydrogen-bonded Turntrans-56.1129.4174.7-180-93.8000110.9E8 Q68Y6-E8 PolarHBondContact O-N 3.38Å; Y6-Q68 HydrophobicContact CD2-CB 3.75Å; Y6-Q68 HydrophobicContact CE2-CB 3.84Å
7G87.7Confident85.9Confident33 Ų3358.1 Ų58.134%0.3428%0.28SS..THydrogen-bonded Turntrans76.7-3.2-178.300000115.1N5 S66 F67N5-G7 PolarHBondContact O-N 2.64Å; G7-S66 PolarHBondContact O-OG 3.39Å; G7-F67 PolarHBondContact N-O 3.01Å
8E88.8Confident86.2Confident79 Ų7954.9 Ų54.937%0.36927%0.265SS..  trans-62145.7175.7-171.1167.8172.400110.8Y4 N5 Y6 V10 S66 F67Y4-E8 HydrophobicContact CD1-CG 4.46Å; N5-E8 HydrophobicContact CB-CB 4.31Å; N5-E8 PolarHBondContact N-OE2 3.2Å; N5-E8 PolarHBondContact ND2-OE2 3.31Å; N5-E8 WeakPolarHBondContact O-CB 3.48Å; N5-E8 PolarHBondContact O-N 3.36Å; Y6-E8 PolarHBondContact O-N 3.38Å; E8-V10 PolarHBondContact O-N 3.43Å; E8-S66 CarbonylContact O-C 3.36Å; E8-S66 WeakPolarHBondContact O-CA 3.26Å; E8-F67 PolarHBondContact O-N 2.79Å
9E86.9Confident86.4Confident64 Ų6452.2 Ų52.230%0.29925%0.252SS..BIsolated β-bridgetrans-67.8130.8-179.7174.8169.6-159.300111.5V11 K39E9-V11 HydrophobicContact CG-CG2 4.43Å; E9-K39 VanDerWaalsContact OE1-CE 3.22Å; E9-K39 WeakPolarHBondContact OE1-CE 3.27Å; E9-K39 IonicContact OE1-NZ 3.2Å; E9-K39 PolarHBondContact OE1-NZ 3.27Å; E9-K39 IonicContact OE2-NZ 3.59Å; E9-K39 PolarHBondContact OE2-NZ 3.33Å
10V88.6Confident86.4Confident0 Ų055.5 Ų55.50%026%0.263CS..  trans-109118.8172.7179.80000108.2Y4 E8 I65 F67 M103 I142 W169Y4-V10 HydrophobicContact CD1-CG2 4.04Å; Y4-V10 HydrophobicContact CE1-CG2 4.15Å; E8-V10 PolarHBondContact O-N 3.43Å; V10-I65 HydrophobicContact CB-CG2 4.17Å; V10-I65 PolarHBondContact N-O 3.17Å; V10-F67 HydrophobicContact CG2-CB 3.87Å; V10-F67 HydrophobicContact CG2-CD2 4.29Å; V10-M103 HydrophobicContact CG1-CE 4.39Å; V10-M103 HydrophobicContact CG1-CG 3.74Å; V10-M103 HydrophobicContact CG1-SD 3.98Å; V10-I142 HydrophobicContact CG1-CD1 3.65Å; V10-I142 HydrophobicContact CG2-CD1 4.17Å; V10-W169 HydrophobicContact CG2-CH2 4.07Å; V10-W169 HydrophobicContact CG2-CZ2 4.26Å
11V87.8Confident86.4Confident28 Ų2855.6 Ų55.617%0.1726%0.263CS..PPolyproline II helixtrans-85.3121.9-176.9-172.30000110.3E9 W13 I42 F60E9-V11 HydrophobicContact CG-CG2 4.43Å; V11-W13 HydrophobicContact CB-CZ2 4.45Å; V11-W13 HydrophobicContact CG1-CD2 3.96Å; V11-W13 VanDerWaalsContact CG1-CE2 3.44Å; V11-W13 HydrophobicContact CG1-CG 4.34Å; V11-W13 HydrophobicContact CG1-CH2 4.33Å; V11-W13 HydrophobicContact CG1-CZ2 3.66Å; V11-I42 HydrophobicContact CB-CD1 4.3Å; V11-I42 HydrophobicContact CG1-CD1 3.61Å; V11-I42 HydrophobicContact CG2-CD1 3.78Å; V11-I42 HydrophobicContact CG2-CG2 4.22Å; V11-F60 HydrophobicContact CG1-CD2 3.85Å; V11-F60 HydrophobicContact CG1-CE2 4.01Å
12L90Very high88Confident1 Ų146.4 Ų46.41%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-94.9116.6166.6178.474.9000109.5S61 L63 I65 M101 M103 I108 F133L12-S61 VanDerWaalsContact O-CB 3.26Å; L12-S61 WeakPolarHBondContact O-CB 3.19Å; L12-S61 PolarHBondContact O-N 3.32Å; L12-S61 PolarHBondContact O-OG 2.87Å; L12-L63 HydrophobicContact CD2-CD1 3.91Å; L12-I65 HydrophobicContact CB-CD1 4.11Å; L12-I65 HydrophobicContact CD2-CD1 4.46Å; L12-M101 HydrophobicContact CD1-CB 4.04Å; L12-M101 HydrophobicContact CD2-SD 4.12Å; L12-M103 HydrophobicContact CB-CE 4.34Å; L12-M103 HydrophobicContact CD1-CB 4.22Å; L12-M103 HydrophobicContact CD1-CE 4.03Å; L12-I108 HydrophobicContact CD1-CD1 3.81Å; L12-F133 HydrophobicContact CD1-CE1 4.3Å; L12-F133 HydrophobicContact CD2-CE1 4Å; L12-F133 HydrophobicContact CD2-CE2 4.3Å; L12-F133 HydrophobicContact CD2-CZ 3.6Å
13W89.8Confident88.5Confident43 Ų4343.3 Ų43.316%0.16320%0.203CC..EExtended strand (participates in β ladder)trans-93.7131.7175.5-59.995.5000110.1V11 Y45 L58 E59 M101 F102V11-W13 HydrophobicContact CB-CZ2 4.45Å; V11-W13 HydrophobicContact CG1-CD2 3.96Å; V11-W13 VanDerWaalsContact CG1-CE2 3.44Å; V11-W13 HydrophobicContact CG1-CG 4.34Å; V11-W13 HydrophobicContact CG1-CH2 4.33Å; V11-W13 HydrophobicContact CG1-CZ2 3.66Å; W13-Y45 HydrophobicContact CZ2-CG 4.49Å; W13-L58 HydrophobicContact CB-CB 4.42Å; W13-L58 HydrophobicContact CB-CD2 4.02Å; W13-L58 HydrophobicContact CD2-CB 4.36Å; W13-L58 HydrophobicContact CE3-CB 3.93Å; W13-E59 CarbonylContact C-O 3.26Å; W13-E59 WeakPolarHBondContact CA-O 3.01Å; W13-M101 CarbonylContact O-C 3.58Å; W13-M101 WeakPolarHBondContact O-CA 3.42Å; W13-M101 VanDerWaalsContact O-CB 3.29Å; W13-M101 WeakPolarHBondContact O-CB 3.43Å; W13-F102 HydrophobicContact CB-CB 4.38Å; W13-F102 PolarHBondContact N-O 2.9Å; W13-F102 PolarHBondContact O-N 3.17Å
14V90.4Very high88.5Confident3 Ų337.5 Ų37.52%0.01818%0.176CC..EExtended strand (participates in β ladder)trans-92.8141165.1-59.30000108.3F29 F30 E59 M101V14-F29 HydrophobicContact CB-CB 3.95Å; V14-F29 HydrophobicContact CB-CD1 3.87Å; V14-F29 HydrophobicContact CB-CD2 4.34Å; V14-F29 HydrophobicContact CB-CG 3.77Å; V14-F29 HydrophobicContact CG1-CD1 4Å; V14-F29 HydrophobicContact CG1-CE1 4.18Å; V14-F29 HydrophobicContact CG1-CG 4.26Å; V14-F29 HydrophobicContact CG2-CB 3.89Å; V14-F29 HydrophobicContact CG2-CD1 3.82Å; V14-F29 HydrophobicContact CG2-CG 3.99Å; V14-F30 HydrophobicContact CG2-CD2 4.39Å; V14-F30 HydrophobicContact CG2-CE2 3.61Å; V14-F30 HydrophobicContact CG2-CZ 4.02Å; V14-E59 HydrophobicContact CG2-CB 3.8Å; V14-E59 WeakPolarHBondContact CG2-O 3.41Å; V14-E59 PolarHBondContact N-O 2.91Å; V14-E59 PolarHBondContact O-N 2.68Å; V14-M101 HydrophobicContact CB-CG 4.49Å; V14-M101 HydrophobicContact CG1-CG 4.05Å; V14-M101 HydrophobicContact CG1-SD 4.13Å
15N89.6Confident88.4Confident6 Ų637.5 Ų37.53%0.03218%0.176CC..EExtended strand (participates in β ladder)trans-111.4-90.8-178.9-178.233.7000109.7F29 V56 E57 L58 Q100 F102N15-F29 PolarHBondContact O-N 3.08Å; N15-V56 WeakPolarHBondContact OD1-CA 2.86Å; N15-E57 WeakPolarHBondContact CA-O 3.19Å; N15-E57 PolarHBondContact OD1-N 3.36Å; N15-E57 PolarHBondContact OD1-O 3.42Å; N15-L58 HydrophobicContact CB-CD2 4Å; N15-Q100 HydrophobicContact CB-CB 4.34Å; N15-Q100 PolarHBondContact N-O 2.82Å; N15-Q100 PolarHBondContact ND2-OE1 3.1Å; N15-Q100 VanDerWaalsContact ND2-OE1 3.12Å; N15-F102 HydrophobicContact CB-CD2 4.06Å; N15-F102 HydrophobicContact CB-CE2 3.85Å
16T91.5Very high88.4Confident5 Ų533.1 Ų33.13%0.03115%0.153CC..EExtended strand (participates in β ladder)trans-132.3160.2-170.149.90000111.9Y27 Y99 Q100 T359T16-Y27 CarbonylContact C-O 3.54Å; T16-Y27 VanDerWaalsContact CA-O 3.23Å; T16-Y27 WeakPolarHBondContact CA-O 3.48Å; T16-Y27 WeakPolarHBondContact CB-O 3.44Å; T16-Y99 CarbonylContact O-C 3.5Å; T16-Y99 VanDerWaalsContact O-CA 3.27Å; T16-Y99 WeakPolarHBondContact O-CA 3.3Å; T16-Q100 PolarHBondContact O-N 2.96Å; T16-T359 HydrophobicContact CG2-CG2 4.12Å; T16-T359 WeakPolarHBondContact CG2-OG1 3.45Å
17V92.5Very high88.5Confident1 Ų126.8 Ų26.81%0.00613%0.128CC..EExtended strand (participates in β ladder)trans-126143.2170.967.70000109.5Y27 L32 Y97 W98 V112V17-Y27 PolarHBondContact N-O 2.91Å; V17-Y27 PolarHBondContact O-N 2.92Å; V17-L32 HydrophobicContact CG1-CD1 4.37Å; V17-L32 HydrophobicContact CG1-CG 4.42Å; V17-L32 HydrophobicContact CG2-CD1 3.87Å; V17-Y97 HydrophobicContact CG2-CD1 3.92Å; V17-W98 CarbonylContact C-O 3.45Å; V17-W98 WeakPolarHBondContact CA-O 3.48Å; V17-W98 WeakPolarHBondContact CG2-O 2.9Å; V17-V112 HydrophobicContact CG2-CG2 4.01Å
18G91.3Very high88.5Confident2 Ų226.2 Ų26.22%0.02112%0.121CC..EExtended strand (participates in β ladder)trans-173.1174.2178.400000113.7E25 Y97 W98G18-E25 WeakPolarHBondContact CA-O 3.25Å; G18-Y97 CarbonylContact O-C 3.5Å; G18-Y97 VanDerWaalsContact O-CA 3.26Å; G18-Y97 WeakPolarHBondContact O-CA 3.47Å; G18-W98 PolarHBondContact N-O 2.93Å; G18-W98 PolarHBondContact O-N 2.98Å; G18-W98 PolarHBondContact O-NE1 2.9Å
19P90.8Very high88.5Confident2 Ų222.8 Ų22.81%0.01310%0.104CC..EExtended strand (participates in β ladder)trans-67.8138.7-179-6.821000111H21 N22 E25 Y97 W98P19-H21 VanDerWaalsContact C-N 3.26Å; P19-H21 PolarHBondContact O-N 3.49Å; P19-N22 HydrophobicContact CB-CB 4.07Å; P19-N22 HydrophobicContact CG-CB 3.98Å; P19-N22 CarbonylContact O-C 3.36Å; P19-N22 PolarHBondContact O-N 2.8Å; P19-E25 WeakPolarHBondContact CD-O 3.4Å; P19-E25 HydrophobicContact CG-CB 4.48Å; P19-Y97 HydrophobicContact CB-CD2 4.15Å; P19-Y97 HydrophobicContact CB-CE2 3.88Å; P19-Y97 HydrophobicContact CG-CD2 4.28Å; P19-Y97 HydrophobicContact CG-CE2 3.59Å; P19-W98 PolarHBondContact O-NE1 1.98Å
20Y86.9Confident88.6Confident118 Ų11821.9 Ų21.946%0.46310%0.1SC..SBendtrans-61.7-33.7-179.7-179.4-97.4000113.7R23 H96 W98Y20-R23 VanDerWaalsContact CE2-NH2 3.26Å; Y20-R23 VanDerWaalsContact CZ-NH2 3.27Å; Y20-R23 VanDerWaalsContact O-CG 3.22Å; Y20-R23 WeakPolarHBondContact O-CG 3.48Å; Y20-R23 PolarHBondContact O-NE 3.13Å; Y20-R23 PolarHBondContact OH-NH2 2.67Å; Y20-H96 WeakPolarHBondContact CB-O 3.19Å; Y20-H96 PolarHBondContact N-O 2.98Å; Y20-W98 HydrophobicContact CD2-CG 4.48Å
21H85.1Confident88.5Confident58 Ų5824.6 Ų24.627%0.26912%0.119SC..SBendtrans-82.8-26.6179.5-65.7-41.5000113.4P19 Y516P19-H21 VanDerWaalsContact C-N 3.26Å; P19-H21 PolarHBondContact O-N 3.49Å; H21-Y516 HydrophobicContact CB-CD1 4.36Å; H21-Y516 HydrophobicContact CB-CE1 3.79Å
22N86.5Confident88.5Confident0 Ų023.8 Ų23.80%011%0.113CC..  trans-110.966.3179-65.2-9.8000110P19 Q24 E25 Y516 Q520P19-N22 HydrophobicContact CB-CB 4.07Å; P19-N22 HydrophobicContact CG-CB 3.98Å; P19-N22 CarbonylContact O-C 3.36Å; P19-N22 PolarHBondContact O-N 2.8Å; N22-Q24 PolarHBondContact O-N 3.41Å; N22-E25 HydrophobicContact CB-CB 3.92Å; N22-E25 PolarHBondContact ND2-OE2 3.25Å; N22-E25 VanDerWaalsContact ND2-OE2 3.09Å; N22-E25 WeakPolarHBondContact O-CB 3.45Å; N22-E25 PolarHBondContact O-N 3.38Å; N22-Y516 VanDerWaalsContact CG-O 3.23Å; N22-Y516 WeakPolarHBondContact ND2-CD2 3.42Å; N22-Y516 WeakPolarHBondContact ND2-CE2 3.06Å; N22-Y516 PolarHBondContact ND2-O 3.06Å; N22-Y516 PolarHBondContact OD1-N 3.11Å; N22-Y516 PolarHBondContact OD1-O 2.96Å; N22-Y516 VanDerWaalsContact OD1-O 3.12Å; N22-Q520 HydrophobicContact CB-CB 4.32Å; N22-Q520 HydrophobicContact CB-CG 4.2Å
23R81.2Confident88.3Confident52 Ų5225.8 Ų25.820%0.19613%0.126CC..THydrogen-bonded Turntrans-64.4-12.4-171.5-62.7-170.1177.4-173.53.5115.3Y20 W98 A446 Y447Y20-R23 VanDerWaalsContact CE2-NH2 3.26Å; Y20-R23 VanDerWaalsContact CZ-NH2 3.27Å; Y20-R23 VanDerWaalsContact O-CG 3.22Å; Y20-R23 WeakPolarHBondContact O-CG 3.48Å; Y20-R23 PolarHBondContact O-NE 3.13Å; Y20-R23 PolarHBondContact OH-NH2 2.67Å; R23-W98 HydrophobicContact CB-CZ2 4.42Å; R23-W98 HydrophobicContact CG-CZ2 4.29Å; R23-A446 PolarHBondContact NH1-O 3.45Å; R23-Y447 HydrophobicContact CB-CD2 3.7Å; R23-Y447 HydrophobicContact CB-CE2 3.72Å; R23-Y447 HydrophobicContact CG-CD2 4.4Å
24Q83.5Confident88.1Confident5 Ų524.5 Ų24.52%0.02312%0.121CC..THydrogen-bonded Turntrans-91-16.7174.8-52.7-64.1-13.700112N22 T26 R360 W445 F519 Q520 F523N22-Q24 PolarHBondContact O-N 3.41Å; Q24-T26 PolarHBondContact O-N 2.95Å; Q24-T26 VanDerWaalsContact O-N 3.13Å; Q24-R360 WeakPolarHBondContact O-CG 3.17Å; Q24-W445 HydrophobicContact CG-CZ3 4.37Å; Q24-F519 WeakPolarHBondContact O-CE1 3.46Å; Q24-Q520 VanDerWaalsContact CB-OE1 3.24Å; Q24-Q520 VanDerWaalsContact N-OE1 3.13Å; Q24-F523 HydrophobicContact CB-CD1 3.9Å; Q24-F523 HydrophobicContact CB-CD2 4.48Å; Q24-F523 HydrophobicContact CB-CE1 3.99Å; Q24-F523 HydrophobicContact CB-CG 4.17Å; Q24-F523 HydrophobicContact CB-CZ 4.31Å; Q24-F523 HydrophobicContact CG-CD1 3.7Å; Q24-F523 HydrophobicContact CG-CE1 3.57Å; Q24-F523 HydrophobicContact CG-CG 4.46Å; Q24-F523 HydrophobicContact CG-CZ 4.23Å
25E87.6Confident87.7Confident21 Ų2126 Ų2610%0.09813%0.131CC..  trans-82.284.4173.4-167.7-177.9164.600109.4G18 P19 N22 Y27 F519G18-E25 WeakPolarHBondContact CA-O 3.25Å; P19-E25 WeakPolarHBondContact CD-O 3.4Å; P19-E25 HydrophobicContact CG-CB 4.48Å; N22-E25 HydrophobicContact CB-CB 3.92Å; N22-E25 PolarHBondContact ND2-OE2 3.25Å; N22-E25 VanDerWaalsContact ND2-OE2 3.09Å; N22-E25 WeakPolarHBondContact O-CB 3.45Å; N22-E25 PolarHBondContact O-N 3.38Å; E25-Y27 HydrophobicContact CG-CE2 3.84Å; E25-Y27 WeakPolarHBondContact CG-OH 3.39Å; E25-Y27 PolarHBondContact OE1-OH 3.22Å; E25-F519 HydrophobicContact CB-CD1 3.91Å; E25-F519 HydrophobicContact CB-CE1 4.23Å; E25-F519 HydrophobicContact CG-CD1 3.95Å; E25-F519 HydrophobicContact CG-CE1 4.49Å
26T89.6Confident87.5Confident6 Ų633 Ų334%0.03716%0.158CC..  trans-112.8143.7-178.655.20000111.2Q24 A358 T359Q24-T26 PolarHBondContact O-N 2.95Å; Q24-T26 VanDerWaalsContact O-N 3.13Å; T26-A358 CarbonylContact O-C 3.55Å; T26-A358 VanDerWaalsContact O-CA 3.29Å; T26-A358 WeakPolarHBondContact O-CA 3.49Å; T26-T359 WeakPolarHBondContact CB-OG1 3.37Å; T26-T359 PolarHBondContact O-N 3.11Å; T26-T359 PolarHBondContact O-OG1 3.29Å; T26-T359 PolarHBondContact OG1-OG1 3.47Å
27Y91.1Very high86.9Confident35 Ų3533.3 Ų33.314%0.13716%0.161CC..EExtended strand (participates in β ladder)trans-123.4159.8178-55.7-78.9000109.3T16 V17 E25 S31 Y97 Y356T16-Y27 CarbonylContact C-O 3.54Å; T16-Y27 VanDerWaalsContact CA-O 3.23Å; T16-Y27 WeakPolarHBondContact CA-O 3.48Å; T16-Y27 WeakPolarHBondContact CB-O 3.44Å; V17-Y27 PolarHBondContact N-O 2.91Å; V17-Y27 PolarHBondContact O-N 2.92Å; E25-Y27 HydrophobicContact CG-CE2 3.84Å; E25-Y27 WeakPolarHBondContact CG-OH 3.39Å; E25-Y27 PolarHBondContact OE1-OH 3.22Å; Y27-S31 WeakPolarHBondContact CB-OG 3.47Å; Y27-Y97 HydrophobicContact CD2-CE1 4.3Å; Y27-Y356 WeakPolarHBondContact CE1-O 3.38Å
28A89.3Confident86.1Confident22 Ų2238.4 Ų38.418%0.18219%0.193CC..EExtended strand (participates in β ladder)trans-61.5143.8177.600000109.3F30 S31 T359A28-F30 VanDerWaalsContact C-N 3.26Å; A28-F30 PolarHBondContact O-N 2.63Å; A28-S31 WeakPolarHBondContact O-CB 3.22Å; A28-S31 PolarHBondContact O-N 2.66Å; A28-S31 PolarHBondContact O-OG 2.98Å; A28-T359 HydrophobicContact CB-CG2 4.1Å
29F89.2Confident85.2Confident7 Ų741.7 Ų41.73%0.03121%0.207CC..G310 helixtrans-56-40.5-176179.9-96.1000113V14 N15 S31 Y34 Y99V14-F29 HydrophobicContact CB-CB 3.95Å; V14-F29 HydrophobicContact CB-CD1 3.87Å; V14-F29 HydrophobicContact CB-CD2 4.34Å; V14-F29 HydrophobicContact CB-CG 3.77Å; V14-F29 HydrophobicContact CG1-CD1 4Å; V14-F29 HydrophobicContact CG1-CE1 4.18Å; V14-F29 HydrophobicContact CG1-CG 4.26Å; V14-F29 HydrophobicContact CG2-CB 3.89Å; V14-F29 HydrophobicContact CG2-CD1 3.82Å; V14-F29 HydrophobicContact CG2-CG 3.99Å; N15-F29 PolarHBondContact O-N 3.08Å; F29-S31 PolarHBondContact O-N 3.33Å; F29-Y34 HydrophobicContact CE1-CD2 4.01Å; F29-Y34 HydrophobicContact CE1-CG 4.16Å; F29-Y34 HydrophobicContact CE2-CD2 4.31Å; F29-Y34 HydrophobicContact CE2-CE2 4.42Å; F29-Y34 AromaticContact CZ-CD2 3.72Å; F29-Y34 HydrophobicContact CZ-CD2 3.72Å; F29-Y34 HydrophobicContact CZ-CE2 4.12Å; F29-Y34 HydrophobicContact CZ-CG 4.11Å; F29-Y99 HydrophobicContact CD2-CD2 4.38Å; F29-Y99 HydrophobicContact CD2-CG 4.23Å; F29-Y99 HydrophobicContact CE2-CD1 4.27Å; F29-Y99 AromaticContact CE2-CD2 3.7Å; F29-Y99 HydrophobicContact CE2-CD2 3.7Å; F29-Y99 HydrophobicContact CE2-CE2 4.4Å; F29-Y99 AromaticContact CE2-CG 3.63Å; F29-Y99 HydrophobicContact CE2-CG 3.63Å
30F88.2Confident84.1Confident45 Ų4548.4 Ų48.420%0.19725%0.247CC..G310 helixtrans-83.111.4177.3-60.3-74.5000114.3V14 A28 L32 Y34 R36 E59V14-F30 HydrophobicContact CG2-CD2 4.39Å; V14-F30 HydrophobicContact CG2-CE2 3.61Å; V14-F30 HydrophobicContact CG2-CZ 4.02Å; A28-F30 VanDerWaalsContact C-N 3.26Å; A28-F30 PolarHBondContact O-N 2.63Å; F30-L32 CarbonylContact C-O 3.54Å; F30-L32 VanDerWaalsContact C-O 3.26Å; F30-Y34 WeakPolarHBondContact CD1-O 3.37Å; F30-R36 HydrophobicContact CD1-CG 4.06Å; F30-R36 HydrophobicContact CE1-CB 4.33Å; F30-R36 HydrophobicContact CE1-CG 3.38Å; F30-R36 HydrophobicContact CE2-CG 4.01Å; F30-R36 HydrophobicContact CZ-CB 4.43Å; F30-R36 HydrophobicContact CZ-CG 3.35Å; F30-E59 HydrophobicContact CD2-CB 4.37Å; F30-E59 WeakPolarHBondContact CD2-OE2 3.32Å; F30-E59 HydrophobicContact CE2-CB 3.96Å; F30-E59 VanDerWaalsContact CE2-OE2 3.32Å; F30-E59 WeakPolarHBondContact CE2-OE2 3.35Å
31S86.2Confident82.9Confident57 Ų5747 Ų4740%0.39926%0.255SS..G310 helixtrans-66.6-30.2165.462.80000111.5Y27 A28 F29Y27-S31 WeakPolarHBondContact CB-OG 3.47Å; A28-S31 WeakPolarHBondContact O-CB 3.22Å; A28-S31 PolarHBondContact O-N 2.66Å; A28-S31 PolarHBondContact O-OG 2.98Å; F29-S31 PolarHBondContact O-N 3.33Å
32L87.9Confident81.8Confident11 Ų1146.8 Ų46.86%0.05826%0.255CS..SBendtrans-79.8150.2163.6-68.5178000109.3V17 F30 Y34 Q88 F89 A92 V112V17-L32 HydrophobicContact CG1-CD1 4.37Å; V17-L32 HydrophobicContact CG1-CG 4.42Å; V17-L32 HydrophobicContact CG2-CD1 3.87Å; F30-L32 CarbonylContact C-O 3.54Å; F30-L32 VanDerWaalsContact C-O 3.26Å; L32-Y34 HydrophobicContact CB-CD2 3.84Å; L32-Y34 HydrophobicContact CB-CE2 4.11Å; L32-Y34 HydrophobicContact CD1-CD2 4.46Å; L32-Y34 HydrophobicContact CD1-CE2 3.93Å; L32-Y34 PolarHBondContact O-N 3.39Å; L32-Q88 HydrophobicContact CD2-CB 4.2Å; L32-F89 HydrophobicContact CB-CE1 4.2Å; L32-F89 HydrophobicContact CD1-CE1 4.3Å; L32-F89 HydrophobicContact CD2-CD1 4.46Å; L32-A92 HydrophobicContact CD1-CB 4.38Å; L32-A92 HydrophobicContact CD2-CB 4.18Å; L32-V112 HydrophobicContact CD1-CG1 4.27Å; L32-V112 HydrophobicContact CD1-CG2 3.92Å
33P85.3Confident80.3Confident43 Ų4351.2 Ų51.228%0.27929%0.286SS..SBendtrans-7741.5-17434.7-37.4000112.5F89P33-F89 HydrophobicContact CG-CD2 3.98Å; P33-F89 HydrophobicContact CG-CE2 3.4Å; P33-F89 HydrophobicContact CG-CZ 3.76Å
34Y85.9Confident78.9Confident15 Ų1557 Ų576%0.05932%0.315CS..PPolyproline II helixtrans-69.6142.4163-72.8-63.5000109.5F29 F30 L32 F89 L163F29-Y34 HydrophobicContact CE1-CD2 4.01Å; F29-Y34 HydrophobicContact CE1-CG 4.16Å; F29-Y34 HydrophobicContact CE2-CD2 4.31Å; F29-Y34 HydrophobicContact CE2-CE2 4.42Å; F29-Y34 AromaticContact CZ-CD2 3.72Å; F29-Y34 HydrophobicContact CZ-CD2 3.72Å; F29-Y34 HydrophobicContact CZ-CE2 4.12Å; F29-Y34 HydrophobicContact CZ-CG 4.11Å; F30-Y34 WeakPolarHBondContact CD1-O 3.37Å; L32-Y34 HydrophobicContact CB-CD2 3.84Å; L32-Y34 HydrophobicContact CB-CE2 4.11Å; L32-Y34 HydrophobicContact CD1-CD2 4.46Å; L32-Y34 HydrophobicContact CD1-CE2 3.93Å; L32-Y34 PolarHBondContact O-N 3.39Å; Y34-F89 HydrophobicContact CD1-CZ 4.4Å; Y34-F89 HydrophobicContact CD2-CE1 4.44Å; Y34-F89 HydrophobicContact CE1-CE1 4.19Å; Y34-F89 HydrophobicContact CE1-CZ 4.22Å; Y34-F89 AromaticContact CE2-CE1 3.92Å; Y34-F89 HydrophobicContact CE2-CE1 3.92Å; Y34-F89 HydrophobicContact CE2-CZ 4.48Å; Y34-F89 AromaticContact CZ-CE1 3.78Å; Y34-L163 HydrophobicContact CD1-CD1 3.89Å
35C83.3Confident78.1Confident34 Ų3461 Ų6123%0.2333%0.33CS..PPolyproline II helixtrans-94.1151.7172.844.60000112.1C77C35-C77 HydrophobicContact CB-CB 4.02Å; C35-C77 WeakPolarHBondContact CB-SG 3.27Å; C35-C77 WeakPolarHBondContact SG-CB 3.41Å; C35-C77 CovalentContact SG-SG 1.98Å; C35-C77 PolarHBondContact SG-SG 3.49Å
36R83.7Confident77Confident154 Ų15467.2 Ų67.258%0.58136%0.359SS*.PPolyproline II helixtrans-72.8149.6173.3-71.9176.5178.8175.61.6110.3F30 E59F30-R36 HydrophobicContact CD1-CG 4.06Å; F30-R36 HydrophobicContact CE1-CB 4.33Å; F30-R36 HydrophobicContact CE1-CG 3.38Å; F30-R36 HydrophobicContact CE2-CG 4.01Å; F30-R36 HydrophobicContact CZ-CB 4.43Å; F30-R36 HydrophobicContact CZ-CG 3.35Å; R36-E59 IonicContact CZ-OE2 3.36Å; R36-E59 IonicContact NE-OE2 3.38Å; R36-E59 IonicContact NH2-OE2 3.74Å; R36-E59 PolarHBondContact NH2-OE2 3.45Å
37G79.7Confident76.2Confident11 Ų1169.7 Ų69.711%0.11337%0.37CS..  trans-65.8174.3170.700000113K39 S61 G62G37-K39 VanDerWaalsContact C-N 3.26Å; G37-K39 PolarHBondContact O-N 3.49Å; G37-S61 PolarHBondContact N-O 3.32Å; G37-G62 CarbonylContact C-O 3.57Å; G37-G62 WeakPolarHBondContact CA-O 3.22Å
38T76.2Confident75.8Confident108 Ų10871.2 Ų71.266%0.66338%0.384SS*.SBendtrans-71.2-16-170.456.60000114.6G62T38-G62 PolarHBondContact N-O 3.18Å
39K71.3Confident75.5Confident72 Ų7272.3 Ų72.331%0.31339%0.386SS..  trans-85.1126.2-174-167.4166.6-175.2172.10111.7E9 G37 F60 G62E9-K39 VanDerWaalsContact OE1-CE 3.22Å; E9-K39 WeakPolarHBondContact OE1-CE 3.27Å; E9-K39 IonicContact OE1-NZ 3.2Å; E9-K39 PolarHBondContact OE1-NZ 3.27Å; E9-K39 IonicContact OE2-NZ 3.59Å; E9-K39 PolarHBondContact OE2-NZ 3.33Å; G37-K39 VanDerWaalsContact C-N 3.26Å; G37-K39 PolarHBondContact O-N 3.49Å; K39-F60 HydrophobicContact CB-CE1 3.9Å; K39-F60 HydrophobicContact CB-CZ 4.18Å; K39-F60 HydrophobicContact CD-CE1 4.49Å; K39-F60 HydrophobicContact CD-CZ 4.24Å; K39-F60 HydrophobicContact CG-CE1 4.11Å; K39-F60 HydrophobicContact CG-CZ 4.34Å; K39-F60 WeakPolarHBondContact O-CE1 3.4Å; K39-G62 WeakPolarHBondContact CB-O 3.44Å; K39-G62 PolarHBondContact N-O 2.9Å
40V68.1Low75.1Confident143 Ų14372 Ų7287%0.86739%0.385SS*.  trans-90.5-23.6-165.2-176.30000114.3
41S62Low74.9Confident89 Ų8970.2 Ų70.262%0.62238%0.377SS*.  trans-153.7146.4-171.6620000115.3
42I62Low74.8Confident52 Ų5270.9 Ų70.927%0.26737%0.371SS..  trans-140.5168.3164.4-60.8165.9000109.6V11 F60V11-I42 HydrophobicContact CB-CD1 4.3Å; V11-I42 HydrophobicContact CG1-CD1 3.61Å; V11-I42 HydrophobicContact CG2-CD1 3.78Å; V11-I42 HydrophobicContact CG2-CG2 4.22Å; I42-F60 HydrophobicContact CD1-CD1 4.02Å; I42-F60 HydrophobicContact CD1-CD2 3.32Å; I42-F60 HydrophobicContact CD1-CE1 3.76Å; I42-F60 HydrophobicContact CD1-CE2 3.08Å; I42-F60 HydrophobicContact CD1-CG 3.81Å; I42-F60 HydrophobicContact CD1-CZ 3.31Å; I42-F60 HydrophobicContact CG1-CE1 4.22Å; I42-F60 HydrophobicContact CG1-CE2 4.32Å; I42-F60 HydrophobicContact CG1-CZ 4.14Å
43S54.2Low74.7Confident94 Ų9471.8 Ų71.866%0.65738%0.376SS*.PPolyproline II helixtrans-51143165.851.80000113.8Y45S43-Y45 PolarHBondContact O-N 3.47Å
44H53.3Low74.7Confident174 Ų17472.6 Ų72.681%0.80638%0.378SS*.PPolyproline II helixtrans-57.9125.5177.5-67.5-80.3000111.5
45Y66.7Low74.6Confident87 Ų8772.3 Ų72.334%0.34138%0.379SS..PPolyproline II helixtrans-87.6135.8161-176.3-98.4000109W13 S43 E47 E51 L58 R293W13-Y45 HydrophobicContact CZ2-CG 4.49Å; S43-Y45 PolarHBondContact O-N 3.47Å; Y45-E47 HydrophobicContact CD1-CG 4.1Å; Y45-E47 HydrophobicContact CE1-CG 4.09Å; Y45-E51 PolarHBondContact OH-OE1 2.77Å; Y45-L58 HydrophobicContact CD1-CD1 3.89Å; Y45-L58 HydrophobicContact CE1-CD1 3.52Å; Y45-R293 PolarHBondContact OH-NH2 2.65Å
46H63.1Low74.6Confident153 Ų15371.4 Ų71.471%0.70837%0.373SS*.  trans-103.3108.3174-73.3-63.6000109.6
47E74.3Confident74.4Confident57 Ų5768 Ų6827%0.26636%0.363SS..  trans-64.5134.4170.8-64.8171.4173.600110.7Y45 R52 L58Y45-E47 HydrophobicContact CD1-CG 4.1Å; Y45-E47 HydrophobicContact CE1-CG 4.09Å; E47-R52 HydrophobicContact CB-CG 4.01Å; E47-L58 PolarHBondContact OE1-N 3.47Å
48T82Confident74.6Confident68 Ų6868.4 Ų68.442%0.41736%0.362SS..  trans-74158.5173.963.80000111.3G50 E51 R52T48-G50 PolarHBondContact O-N 3.46Å; T48-E51 PolarHBondContact N-OE2 2.92Å; T48-E51 PolarHBondContact O-N 3.07Å; T48-E51 VanDerWaalsContact OG1-CD 3.29Å; T48-E51 VanDerWaalsContact OG1-CG 3.27Å; T48-E51 WeakPolarHBondContact OG1-CG 3.39Å; T48-E51 PolarHBondContact OG1-N 2.91Å; T48-E51 PolarHBondContact OG1-OE2 3.34Å; T48-R52 PolarHBondContact O-N 3.22Å
49L82.5Confident74.9Confident44 Ų4465 Ų6523%0.2334%0.339CS..Hα-helixtrans-53.5-39.2174.4176.664.8000112L53 I301 E369 I373L49-L53 HydrophobicContact CD1-CD1 4.26Å; L49-L53 HydrophobicContact CD1-CG 4.43Å; L49-L53 HydrophobicContact CG-CD1 4.21Å; L49-L53 WeakPolarHBondContact O-CG 3.45Å; L49-L53 PolarHBondContact O-N 2.85Å; L49-L53 VanDerWaalsContact O-N 3.15Å; L49-I301 HydrophobicContact CD2-CD1 4.28Å; L49-I301 HydrophobicContact CD2-CG2 4.48Å; L49-E369 WeakPolarHBondContact CD1-OE2 3.4Å; L49-I373 HydrophobicContact CD2-CD1 4.18Å
50G80.3Confident75.4Confident2 Ų263.3 Ų63.32%0.02133%0.332CS..Hα-helixtrans-65.7-39.1178.200000112.9T48 L54T48-G50 PolarHBondContact O-N 3.46Å; G50-L54 VanDerWaalsContact O-CG 3.29Å; G50-L54 WeakPolarHBondContact O-CG 3.47Å; G50-L54 PolarHBondContact O-N 2.96Å
51E84.5Confident76.3Confident6 Ų656.9 Ų56.93%0.02829%0.293CS..Hα-helixtrans-67.8-44.3177.1-75.4165150.600112Y45 T48 L53 L54 G55 V56 R293Y45-E51 PolarHBondContact OH-OE1 2.77Å; T48-E51 PolarHBondContact N-OE2 2.92Å; T48-E51 PolarHBondContact O-N 3.07Å; T48-E51 VanDerWaalsContact OG1-CD 3.29Å; T48-E51 VanDerWaalsContact OG1-CG 3.27Å; T48-E51 WeakPolarHBondContact OG1-CG 3.39Å; T48-E51 PolarHBondContact OG1-N 2.91Å; T48-E51 PolarHBondContact OG1-OE2 3.34Å; E51-L53 VanDerWaalsContact C-N 3.34Å; E51-L53 PolarHBondContact O-N 2.74Å; E51-L54 CarbonylContact O-C 3.55Å; E51-L54 WeakPolarHBondContact O-CA 3.49Å; E51-L54 WeakPolarHBondContact O-CB 3.45Å; E51-L54 PolarHBondContact O-N 2.98Å; E51-G55 PolarHBondContact O-N 3.45Å; E51-V56 HydrophobicContact CB-CB 4.09Å; E51-V56 HydrophobicContact CB-CG1 4.47Å; E51-V56 HydrophobicContact CB-CG2 4.49Å; E51-V56 PolarHBondContact O-N 3.17Å; E51-V56 VanDerWaalsContact O-N 3.12Å; E51-R293 HydrophobicContact CG-CB 3.93Å; E51-R293 WeakPolarHBondContact OE1-CB 3.33Å; E51-R293 IonicContact OE1-CZ 2.99Å; E51-R293 IonicContact OE1-NE 3.05Å; E51-R293 PolarHBondContact OE1-NE 3.35Å
52R85.4Confident77.3Confident72 Ų7252.7 Ų52.727%0.27226%0.264SS..Hα-helixtrans-61.1-42.3177.2-63.9-178.4-168.4157.62.1112.4E47 T48 L54 G55 T366 E369E47-R52 HydrophobicContact CB-CG 4.01Å; T48-R52 PolarHBondContact O-N 3.22Å; R52-L54 PolarHBondContact O-N 2.98Å; R52-G55 PolarHBondContact O-N 2.82Å; R52-T366 HydrophobicContact CB-CG2 3.79Å; R52-T366 HydrophobicContact CG-CG2 4.24Å; R52-E369 IonicContact NH1-OE1 3.59Å; R52-E369 PolarHBondContact NH1-OE1 3.43Å; R52-E369 IonicContact NH1-OE2 2.66Å; R52-E369 PolarHBondContact NH1-OE2 2.9Å
53L85.1Confident78.5Confident29 Ų2950.5 Ų50.515%0.15225%0.253CS..Hα-helixtrans-67.9-20.6175.9-71.6173.3000112.9L49 E51 G55 L297 I301 I362 V370L49-L53 HydrophobicContact CD1-CD1 4.26Å; L49-L53 HydrophobicContact CD1-CG 4.43Å; L49-L53 HydrophobicContact CG-CD1 4.21Å; L49-L53 WeakPolarHBondContact O-CG 3.45Å; L49-L53 PolarHBondContact O-N 2.85Å; L49-L53 VanDerWaalsContact O-N 3.15Å; E51-L53 VanDerWaalsContact C-N 3.34Å; E51-L53 PolarHBondContact O-N 2.74Å; L53-G55 VanDerWaalsContact C-N 3.33Å; L53-L297 HydrophobicContact CB-CD2 3.52Å; L53-L297 HydrophobicContact CD1-CD2 4.03Å; L53-L297 HydrophobicContact CD1-CG 4.49Å; L53-L297 HydrophobicContact CG-CD2 4.45Å; L53-I301 HydrophobicContact CD1-CD1 3.42Å; L53-I301 VanDerWaalsContact CD1-CD1 3.42Å; L53-I362 HydrophobicContact CD2-CD1 4.23Å; L53-I362 HydrophobicContact CD2-CG2 4.12Å; L53-V370 HydrophobicContact CD1-CG2 4.5Å
54L85.4Confident80Confident61 Ų6148.8 Ų48.832%0.31924%0.239SC..THydrogen-bonded Turntrans-86.2-1.5171.9-70.5177.5000113.3G50 E51 R52 V56 L297 R360G50-L54 VanDerWaalsContact O-CG 3.29Å; G50-L54 WeakPolarHBondContact O-CG 3.47Å; G50-L54 PolarHBondContact O-N 2.96Å; E51-L54 CarbonylContact O-C 3.55Å; E51-L54 WeakPolarHBondContact O-CA 3.49Å; E51-L54 WeakPolarHBondContact O-CB 3.45Å; E51-L54 PolarHBondContact O-N 2.98Å; R52-L54 PolarHBondContact O-N 2.98Å; L54-V56 HydrophobicContact CB-CG2 4.12Å; L54-V56 PolarHBondContact O-N 3.2Å; L54-L297 HydrophobicContact CD2-CD2 4.33Å; L54-L297 HydrophobicContact CG-CD2 4.24Å; L54-R360 VanDerWaalsContact O-CD 3.25Å; L54-R360 WeakPolarHBondContact O-CD 3.33Å; L54-R360 PolarHBondContact O-NE 3.35Å; L54-R360 PolarHBondContact O-NH1 3.33Å
55G82.8Confident81.7Confident8 Ų840.7 Ų40.78%0.08220%0.202CC..THydrogen-bonded Turntrans65.129-176.200000113E51 R52 L53 T359E51-G55 PolarHBondContact O-N 3.45Å; R52-G55 PolarHBondContact O-N 2.82Å; L53-G55 VanDerWaalsContact C-N 3.33Å; G55-T359 VanDerWaalsContact CA-O 3.24Å; G55-T359 WeakPolarHBondContact CA-O 3.2Å; G55-T359 PolarHBondContact O-OG1 2.85Å
56V83.5Confident82.9Confident16 Ų1638.7 Ų38.710%0.09720%0.201CC..  trans-75.9120.4170175.20000107N15 E51 L54 L58N15-V56 WeakPolarHBondContact OD1-CA 2.86Å; E51-V56 HydrophobicContact CB-CB 4.09Å; E51-V56 HydrophobicContact CB-CG1 4.47Å; E51-V56 HydrophobicContact CB-CG2 4.49Å; E51-V56 PolarHBondContact O-N 3.17Å; E51-V56 VanDerWaalsContact O-N 3.12Å; L54-V56 HydrophobicContact CB-CG2 4.12Å; L54-V56 PolarHBondContact O-N 3.2Å; V56-L58 HydrophobicContact CG1-CD1 4.32Å; V56-L58 HydrophobicContact CG1-CD2 3.95Å; V56-L58 HydrophobicContact CG1-CG 3.78Å
57E79.8Confident84.3Confident83 Ų8331.4 Ų31.439%0.38817%0.167SC..  trans-12797.1178.3-176.4169.5-158.700106.5N15 E59N15-E57 WeakPolarHBondContact CA-O 3.19Å; N15-E57 PolarHBondContact OD1-N 3.36Å; N15-E57 PolarHBondContact OD1-O 3.42Å; E57-E59 PolarHBondContact O-N 2.76Å
58L83.1Confident85.1Confident18 Ų1831.4 Ų31.49%0.09417%0.167CC..  trans-87.5112.6-175.4-64173.8000109.9W13 N15 Y45 E47 V56 F102W13-L58 HydrophobicContact CB-CB 4.42Å; W13-L58 HydrophobicContact CB-CD2 4.02Å; W13-L58 HydrophobicContact CD2-CB 4.36Å; W13-L58 HydrophobicContact CE3-CB 3.93Å; N15-L58 HydrophobicContact CB-CD2 4Å; Y45-L58 HydrophobicContact CD1-CD1 3.89Å; Y45-L58 HydrophobicContact CE1-CD1 3.52Å; E47-L58 PolarHBondContact OE1-N 3.47Å; V56-L58 HydrophobicContact CG1-CD1 4.32Å; V56-L58 HydrophobicContact CG1-CD2 3.95Å; V56-L58 HydrophobicContact CG1-CG 3.78Å; L58-F102 HydrophobicContact CD2-CD2 3.74Å; L58-F102 HydrophobicContact CD2-CE2 4.24Å
59E82.7Confident85.7Confident37 Ų3730.9 Ų30.917%0.17316%0.164CC..EExtended strand (participates in β ladder)trans-105.6153.1171.4-67.3-166.8-139.200111.2W13 V14 F30 R36 E57W13-E59 CarbonylContact C-O 3.26Å; W13-E59 WeakPolarHBondContact CA-O 3.01Å; V14-E59 HydrophobicContact CG2-CB 3.8Å; V14-E59 WeakPolarHBondContact CG2-O 3.41Å; V14-E59 PolarHBondContact N-O 2.91Å; V14-E59 PolarHBondContact O-N 2.68Å; F30-E59 HydrophobicContact CD2-CB 4.37Å; F30-E59 WeakPolarHBondContact CD2-OE2 3.32Å; F30-E59 HydrophobicContact CE2-CB 3.96Å; F30-E59 VanDerWaalsContact CE2-OE2 3.32Å; F30-E59 WeakPolarHBondContact CE2-OE2 3.35Å; R36-E59 IonicContact CZ-OE2 3.36Å; R36-E59 IonicContact NE-OE2 3.38Å; R36-E59 IonicContact NH2-OE2 3.74Å; R36-E59 PolarHBondContact NH2-OE2 3.45Å; E57-E59 PolarHBondContact O-N 2.76Å
60F83.2Confident86.2Confident36 Ų3633.5 Ų33.516%0.15818%0.178CC..EExtended strand (participates in β ladder)trans-77.2132.2177.5179.1-131.6000111.1V11 K39 I42 G62V11-F60 HydrophobicContact CG1-CD2 3.85Å; V11-F60 HydrophobicContact CG1-CE2 4.01Å; K39-F60 HydrophobicContact CB-CE1 3.9Å; K39-F60 HydrophobicContact CB-CZ 4.18Å; K39-F60 HydrophobicContact CD-CE1 4.49Å; K39-F60 HydrophobicContact CD-CZ 4.24Å; K39-F60 HydrophobicContact CG-CE1 4.11Å; K39-F60 HydrophobicContact CG-CZ 4.34Å; K39-F60 WeakPolarHBondContact O-CE1 3.4Å; I42-F60 HydrophobicContact CD1-CD1 4.02Å; I42-F60 HydrophobicContact CD1-CD2 3.32Å; I42-F60 HydrophobicContact CD1-CE1 3.76Å; I42-F60 HydrophobicContact CD1-CE2 3.08Å; I42-F60 HydrophobicContact CD1-CG 3.81Å; I42-F60 HydrophobicContact CD1-CZ 3.31Å; I42-F60 HydrophobicContact CG1-CE1 4.22Å; I42-F60 HydrophobicContact CG1-CE2 4.32Å; I42-F60 HydrophobicContact CG1-CZ 4.14Å; F60-G62 VanDerWaalsContact C-N 3.32Å; F60-G62 VanDerWaalsContact CZ-CA 3.49Å; F60-G62 PolarHBondContact O-N 2.91Å
61S85.5Confident86.7Confident9 Ų934.7 Ų34.76%0.06319%0.186CC..  trans-68.1-27177.261.40000114.1L12 G37 L63L12-S61 VanDerWaalsContact O-CB 3.26Å; L12-S61 WeakPolarHBondContact O-CB 3.19Å; L12-S61 PolarHBondContact O-N 3.32Å; L12-S61 PolarHBondContact O-OG 2.87Å; G37-S61 PolarHBondContact N-O 3.32Å; S61-L63 VanDerWaalsContact C-N 3.29Å; S61-L63 PolarHBondContact OG-N 3.44Å
62G84.7Confident87.1Confident1 Ų139 Ų391%0.0121%0.214CC..  trans82.2-0.3-173.600000114.9G37 T38 K39 F60G37-G62 CarbonylContact C-O 3.57Å; G37-G62 WeakPolarHBondContact CA-O 3.22Å; T38-G62 PolarHBondContact N-O 3.18Å; K39-G62 WeakPolarHBondContact CB-O 3.44Å; K39-G62 PolarHBondContact N-O 2.9Å; F60-G62 VanDerWaalsContact C-N 3.32Å; F60-G62 VanDerWaalsContact CZ-CA 3.49Å; F60-G62 PolarHBondContact O-N 2.91Å
63L86.3Confident87.4Confident6 Ų641.4 Ų41.43%0.03123%0.227CC..  trans-84124-176.5-60.8-177.6000111.1L12 S61 I65 Y76 F133 Y165L12-L63 HydrophobicContact CD2-CD1 3.91Å; S61-L63 VanDerWaalsContact C-N 3.29Å; S61-L63 PolarHBondContact OG-N 3.44Å; L63-I65 HydrophobicContact CB-CD1 4.48Å; L63-I65 HydrophobicContact CB-CG1 4.31Å; L63-I65 PolarHBondContact O-N 3.11Å; L63-Y76 HydrophobicContact CD2-CD1 3.89Å; L63-Y76 HydrophobicContact CD2-CD2 3.64Å; L63-Y76 HydrophobicContact CD2-CE1 4.37Å; L63-Y76 HydrophobicContact CD2-CE2 4.15Å; L63-Y76 HydrophobicContact CD2-CG 3.47Å; L63-Y76 VanDerWaalsContact CD2-CG 3.47Å; L63-F133 HydrophobicContact CD1-CE2 4.15Å; L63-Y165 HydrophobicContact CD1-CD2 4.28Å; L63-Y165 HydrophobicContact CD1-CG 4.29Å; L63-Y165 HydrophobicContact CD2-CD1 4.01Å; L63-Y165 HydrophobicContact CD2-CE1 4.19Å; L63-Y165 HydrophobicContact CD2-CG 4.22Å
64P86Confident87.7Confident57 Ų5742.2 Ų42.237%0.3723%0.233SC..  trans-75.4107.9173.428.9-29.2000109.1Y165P64-Y165 WeakPolarHBondContact CD-OH 3.41Å; P64-Y165 WeakPolarHBondContact CG-OH 3.41Å; P64-Y165 PolarHBondContact O-OH 2.7Å; P64-Y165 VanDerWaalsContact O-OH 3.08Å
65I89.6Confident88Confident4 Ų443.3 Ų43.32%0.02124%0.242CC..  trans-120.1126.3174.2-55.5179.8000107.5V10 L12 L63 M103 I135 V167 W169V10-I65 HydrophobicContact CB-CG2 4.17Å; V10-I65 PolarHBondContact N-O 3.17Å; L12-I65 HydrophobicContact CB-CD1 4.11Å; L12-I65 HydrophobicContact CD2-CD1 4.46Å; L63-I65 HydrophobicContact CB-CD1 4.48Å; L63-I65 HydrophobicContact CB-CG1 4.31Å; L63-I65 PolarHBondContact O-N 3.11Å; I65-M103 HydrophobicContact CD1-CE 3.8Å; I65-I135 HydrophobicContact CG2-CD1 4.22Å; I65-V167 HydrophobicContact CD1-CG2 4.3Å; I65-V167 HydrophobicContact CG1-CG2 4.15Å; I65-V167 HydrophobicContact CG2-CG1 4.21Å; I65-V167 HydrophobicContact CG2-CG2 4.43Å; I65-W169 HydrophobicContact CG2-CZ2 4.16Å
66S90.9Very high88.3Confident45 Ų4544 Ų4432%0.31524%0.242SC..BIsolated β-bridgetrans-115139.3177.4-750000110.2G7 E8 Q68 V69 W169G7-S66 PolarHBondContact O-OG 3.39Å; E8-S66 CarbonylContact O-C 3.36Å; E8-S66 WeakPolarHBondContact O-CA 3.26Å; S66-Q68 PolarHBondContact O-N 3.2Å; S66-V69 PolarHBondContact O-N 2.95Å; S66-V69 VanDerWaalsContact O-N 3.17Å; S66-W169 WeakPolarHBondContact O-CZ2 3.37Å; S66-W169 PolarHBondContact O-NE1 3.1Å; S66-W169 VanDerWaalsContact O-NE1 3.1Å
67F92Very high88.6Confident1 Ų144.3 Ų44.30%0.00425%0.245CC..THydrogen-bonded Turntrans-60.5128-178.3-174-108.9000111.3Y4 N5 G7 E8 V10 V69 Y137 I142 W169Y4-F67 HydrophobicContact CD2-CD2 4.44Å; Y4-F67 HydrophobicContact CG-CD2 4.13Å; Y4-F67 HydrophobicContact CG-CG 4.36Å; Y4-F67 WeakPolarHBondContact O-CE1 3.12Å; N5-F67 WeakPolarHBondContact O-CD1 3.41Å; G7-F67 PolarHBondContact N-O 3.01Å; E8-F67 PolarHBondContact O-N 2.79Å; V10-F67 HydrophobicContact CG2-CB 3.87Å; V10-F67 HydrophobicContact CG2-CD2 4.29Å; F67-V69 PolarHBondContact O-N 3.28Å; F67-Y137 HydrophobicContact CZ-CD2 4.47Å; F67-I142 HydrophobicContact CD2-CG1 4.27Å; F67-I142 HydrophobicContact CE2-CG1 4Å; F67-W169 HydrophobicContact CD2-CE3 4.42Å; F67-W169 AromaticContact CD2-CH2 3.49Å; F67-W169 HydrophobicContact CD2-CH2 3.49Å; F67-W169 VanDerWaalsContact CD2-CH2 3.49Å; F67-W169 HydrophobicContact CD2-CZ2 4.31Å; F67-W169 AromaticContact CD2-CZ3 3.53Å; F67-W169 HydrophobicContact CD2-CZ3 3.53Å; F67-W169 HydrophobicContact CE2-CE3 4.48Å; F67-W169 HydrophobicContact CE2-CH2 4.11Å; F67-W169 AromaticContact CE2-CZ3 3.68Å; F67-W169 HydrophobicContact CE2-CZ3 3.68Å; F67-W169 HydrophobicContact CG-CH2 4.36Å
68Q91.7Very high89.1Confident56 Ų5643.7 Ų43.726%0.26225%0.247SC..THydrogen-bonded Turntrans5818.2-176-61.9-178.82000115.8Y6 S66 Y137 G139 W169Y6-Q68 HydrophobicContact CD2-CB 3.75Å; Y6-Q68 HydrophobicContact CE2-CB 3.84Å; S66-Q68 PolarHBondContact O-N 3.2Å; Q68-Y137 HydrophobicContact CG-CD1 4.43Å; Q68-Y137 HydrophobicContact CG-CD2 4.06Å; Q68-Y137 HydrophobicContact CG-CE1 4.33Å; Q68-Y137 HydrophobicContact CG-CE2 3.95Å; Q68-Y137 HydrophobicContact CG-CG 4.3Å; Q68-Y137 VanDerWaalsContact NE2-CE2 3.32Å; Q68-G139 PolarHBondContact NE2-O 3.31Å; Q68-W169 VanDerWaalsContact N-CE2 3.3Å
69V93.7Very high89.3Confident58 Ų5843.2 Ų43.235%0.35224%0.244SC..  trans-109.8112.8174.2-178.20000109.1S66 F67 W169S66-V69 PolarHBondContact O-N 2.95Å; S66-V69 VanDerWaalsContact O-N 3.17Å; F67-V69 PolarHBondContact O-N 3.28Å; V69-W169 VanDerWaalsContact C-CD1 3.47Å; V69-W169 VanDerWaalsContact O-CD1 3.27Å; V69-W169 PolarHBondContact O-NE1 2.78Å; V69-W169 VanDerWaalsContact O-NE1 3.11Å
70N93.5Very high89.6Confident99 Ų9947.9 Ų47.953%0.52927%0.266SS..  trans-69.6134.6175.8-68.7-17.7000110.2V167 W169N70-V167 CarbonylContact C-O 3.6Å; N70-V167 WeakPolarHBondContact CA-O 3.47Å; N70-W169 WeakPolarHBondContact OD1-CB 3.45Å; N70-W169 PolarHBondContact OD1-N 3.07Å
71S91.1Very high89.7Confident26 Ų2646.4 Ų46.418%0.18226%0.26CS..EExtended strand (participates in β ladder)trans-110.3119.8173.1-172.80000108.9V167S71-V167 PolarHBondContact N-O 3.24Å; S71-V167 PolarHBondContact O-N 3.47Å
72P92.5Very high89.9Confident97 Ų9749.7 Ų49.763%0.6328%0.28SS*.EExtended strand (participates in β ladder)trans-64.9172.8173.530.2-34.3000110.4T74P72-T74 HydrophobicContact CG-CG2 4.38Å; P72-T74 WeakPolarHBondContact O-CG2 2.98Å; P72-T74 PolarHBondContact O-N 3.29Å; P72-T74 PolarHBondContact O-OG1 3.41Å
73K92.3Very high90.2Very high122 Ų12255.6 Ų55.653%0.5331%0.307SS..EExtended strand (participates in β ladder)trans-55.9108.3175.1-176.8169-174.2172.30110.2T164 Y165K73-T164 WeakPolarHBondContact CE-OG1 3.17Å; K73-T164 HydrophobicContact CG-CG2 4.37Å; K73-Y165 WeakPolarHBondContact CA-O 3.46Å
74T92Very high90.4Very high46 Ų4662.4 Ų62.428%0.28234%0.338SS..EExtended strand (participates in β ladder)trans-123.7137.1-175.8420000109.6P72 Y76 T164 Y165P72-T74 HydrophobicContact CG-CG2 4.38Å; P72-T74 WeakPolarHBondContact O-CG2 2.98Å; P72-T74 PolarHBondContact O-N 3.29Å; P72-T74 PolarHBondContact O-OG1 3.41Å; T74-Y76 PolarHBondContact O-N 3.43Å; T74-T164 CarbonylContact O-C 3.51Å; T74-T164 WeakPolarHBondContact O-CA 3.45Å; T74-T164 WeakPolarHBondContact O-CB 3.24Å; T74-Y165 PolarHBondContact N-O 2.82Å; T74-Y165 PolarHBondContact O-N 2.92Å; T74-Y165 WeakPolarHBondContact OG1-CD1 3.32Å; T74-Y165 WeakPolarHBondContact OG1-CE1 3.27Å; T74-Y165 PolarHBondContact OG1-O 3.44Å
75V91.3Very high90.5Very high84 Ų8459.7 Ų59.751%0.50932%0.321SS..EExtended strand (participates in β ladder)trans-78.4116.5172.4-178.30000107L163 T164V75-L163 WeakPolarHBondContact CA-O 3.37Å; V75-T164 HydrophobicContact CB-CG2 4.27Å; V75-T164 HydrophobicContact CG2-CG2 3.61Å
76Y89.9Confident90.5Very high23 Ų2360.2 Ų60.29%0.0933%0.326CS..EExtended strand (participates in β ladder)trans-95.5-23.917767-88.6000112.1L63 T74 L163 Y165L63-Y76 HydrophobicContact CD2-CD1 3.89Å; L63-Y76 HydrophobicContact CD2-CD2 3.64Å; L63-Y76 HydrophobicContact CD2-CE1 4.37Å; L63-Y76 HydrophobicContact CD2-CE2 4.15Å; L63-Y76 HydrophobicContact CD2-CG 3.47Å; L63-Y76 VanDerWaalsContact CD2-CG 3.47Å; T74-Y76 PolarHBondContact O-N 3.43Å; Y76-L163 HydrophobicContact CD1-CB 4.27Å; Y76-L163 VanDerWaalsContact CD1-O 3.25Å; Y76-L163 WeakPolarHBondContact CD1-O 3.37Å; Y76-L163 HydrophobicContact CE1-CB 3.52Å; Y76-L163 HydrophobicContact CE2-CB 4.12Å; Y76-L163 HydrophobicContact CE2-CD1 4.34Å; Y76-L163 VanDerWaalsContact CZ-CB 3.43Å; Y76-L163 PolarHBondContact N-O 2.99Å; Y76-L163 VanDerWaalsContact N-O 3.13Å; Y76-L163 WeakPolarHBondContact OH-CB 3.05Å; Y76-L163 WeakPolarHBondContact OH-CD1 3.02Å; Y76-Y165 AromaticContact CD1-CD1 3.76Å; Y76-Y165 HydrophobicContact CD1-CD1 3.76Å; Y76-Y165 HydrophobicContact CD1-CG 4.4Å; Y76-Y165 HydrophobicContact CG-CD1 4.21Å
77C89.2Confident90.5Very high23 Ų2362.9 Ų62.916%0.15534%0.336CS..EExtended strand (participates in β ladder)trans-160149.7177.9178.80000111.6C35 L163C35-C77 HydrophobicContact CB-CB 4.02Å; C35-C77 WeakPolarHBondContact CB-SG 3.27Å; C35-C77 WeakPolarHBondContact SG-CB 3.41Å; C35-C77 CovalentContact SG-SG 1.98Å; C35-C77 PolarHBondContact SG-SG 3.49Å; C77-L163 PolarHBondContact O-N 3.12Å
78T89.2Confident90.4Very high69 Ų6966.9 Ų66.942%0.42336%0.355SS..EExtended strand (participates in β ladder)trans-111.9119.3166.4-53.40000107.9D160T78-D160 HydrophobicContact CG2-CB 4.09Å
79M88.3Confident90.4Very high8 Ų864.3 Ų64.34%0.03934%0.343CS..EExtended strand (participates in β ladder)trans-94.5133.6178.465.8-176.1164.200110.4V81 F89 I127 D160 V161 L163M79-V81 HydrophobicContact CG-CG2 4.32Å; M79-F89 HydrophobicContact SD-CE2 4.22Å; M79-F89 HydrophobicContact SD-CZ 4.27Å; M79-I127 HydrophobicContact CE-CD1 3.39Å; M79-D160 WeakPolarHBondContact O-CA 3.43Å; M79-V161 HydrophobicContact CE-CB 3.48Å; M79-V161 VanDerWaalsContact CE-CB 3.48Å; M79-V161 HydrophobicContact CE-CG1 3.41Å; M79-V161 VanDerWaalsContact CE-CG1 3.41Å; M79-V161 HydrophobicContact CE-CG2 4.23Å; M79-V161 HydrophobicContact CG-CB 3.89Å; M79-V161 WeakPolarHBondContact CG-O 3.31Å; M79-V161 PolarHBondContact N-O 3.14Å; M79-V161 PolarHBondContact O-N 3.31Å; M79-L163 HydrophobicContact CE-CD1 4.4Å; M79-L163 HydrophobicContact CE-CD2 3.63Å; M79-L163 HydrophobicContact CE-CG 4.11Å; M79-L163 HydrophobicContact SD-CD1 4.04Å; M79-L163 HydrophobicContact SD-CD2 4.35Å; M79-L163 HydrophobicContact SD-CG 4.3Å
80H88.2Confident90.3Very high135 Ų13565.1 Ų65.163%0.62534%0.343SS*.EExtended strand (participates in β ladder)trans-88.9111.2169.6-65.1-65.9000108.5T82 D160H80-T82 PolarHBondContact O-N 3.23Å; H80-D160 VanDerWaalsContact CE1-CG 3.48Å; H80-D160 IonicContact CE1-OD1 2.75Å; H80-D160 PolarHBondContact CE1-OD1 3.29Å; H80-D160 IonicContact CE1-OD2 3.04Å; H80-D160 PolarHBondContact CE1-OD2 2.99Å; H80-D160 IonicContact CG-OD1 3.68Å; H80-D160 IonicContact ND1-OD1 3.03Å; H80-D160 PolarHBondContact ND1-OD1 3.03Å; H80-D160 IonicContact ND1-OD2 2.64Å; H80-D160 PolarHBondContact ND1-OD2 2.86Å
81V86.9Confident90.1Very high5 Ų564.2 Ų64.23%0.0334%0.338CS..  trans-80.5112.4-176.5-178.70000109.8M79 A86 V155 F158 T159 V161M79-V81 HydrophobicContact CG-CG2 4.32Å; V81-A86 HydrophobicContact CG1-CB 3.84Å; V81-V155 HydrophobicContact CG1-CG1 3.74Å; V81-F158 WeakPolarHBondContact O-CA 3.5Å; V81-F158 PolarHBondContact O-N 3.22Å; V81-T159 WeakPolarHBondContact CB-O 3.27Å; V81-T159 PolarHBondContact N-O 3.46Å; V81-V161 HydrophobicContact CG2-CG2 3.92Å
82T89.8Confident90.2Very high78 Ų7863 Ų6348%0.47933%0.33SS..  trans-76.3164.1170.2600000111H80 E84 G85 A86H80-T82 PolarHBondContact O-N 3.23Å; T82-E84 VanDerWaalsContact C-N 3.33Å; T82-E84 PolarHBondContact O-N 3.3Å; T82-G85 PolarHBondContact O-N 2.91Å; T82-G85 VanDerWaalsContact O-N 3.17Å; T82-G85 PolarHBondContact OG1-N 2.61Å; T82-G85 VanDerWaalsContact OG1-N 3.1Å; T82-A86 PolarHBondContact O-N 2.97Å
83E90.1Very high90.2Very high125 Ų12558.5 Ų58.558%0.58430%0.301SS*.Hα-helixtrans-57.4-45174.9-172.9176.9-176.400112.1G85 A86 L87 A157 F158E83-G85 PolarHBondContact O-N 2.86Å; E83-A86 PolarHBondContact O-N 3.03Å; E83-L87 PolarHBondContact O-N 3.39Å; E83-A157 HydrophobicContact CB-CB 4.31Å; E83-F158 HydrophobicContact CB-CZ 4.44Å
84E90.5Very high90.1Very high149 Ų14955.2 Ų55.270%0.69629%0.291SS*.Hα-helixtrans-62.7-41174.6-64.4-180177.800112.1T82 A86 L87 Q88T82-E84 VanDerWaalsContact C-N 3.33Å; T82-E84 PolarHBondContact O-N 3.3Å; E84-A86 VanDerWaalsContact C-N 3.34Å; E84-A86 PolarHBondContact O-N 2.98Å; E84-L87 PolarHBondContact O-N 3.12Å; E84-Q88 WeakPolarHBondContact O-CG 3.24Å; E84-Q88 PolarHBondContact O-N 2.85Å
85G87.9Confident90Very high1 Ų156.2 Ų56.21%0.0129%0.292CS..Hα-helixtrans-65-3717800000112.9T82 E83 Q88 F89T82-G85 PolarHBondContact O-N 2.91Å; T82-G85 VanDerWaalsContact O-N 3.17Å; T82-G85 PolarHBondContact OG1-N 2.61Å; T82-G85 VanDerWaalsContact OG1-N 3.1Å; E83-G85 PolarHBondContact O-N 2.86Å; G85-Q88 PolarHBondContact O-N 3.35Å; G85-F89 VanDerWaalsContact O-CD2 3.27Å; G85-F89 WeakPolarHBondContact O-CD2 2.99Å; G85-F89 PolarHBondContact O-N 3.02Å; G85-F89 VanDerWaalsContact O-N 3.07Å
86A89.2Confident90Very high14 Ų1457.7 Ų57.712%0.11629%0.293CS..Hα-helixtrans-62.8-45.7174.100000111.5V81 T82 E83 E84 Q88 F89 E90 V155 A157V81-A86 HydrophobicContact CG1-CB 3.84Å; T82-A86 PolarHBondContact O-N 2.97Å; E83-A86 PolarHBondContact O-N 3.03Å; E84-A86 VanDerWaalsContact C-N 3.34Å; E84-A86 PolarHBondContact O-N 2.98Å; A86-Q88 VanDerWaalsContact C-N 3.34Å; A86-Q88 PolarHBondContact O-N 3.44Å; A86-F89 PolarHBondContact O-N 3.32Å; A86-E90 PolarHBondContact O-N 2.88Å; A86-V155 HydrophobicContact CB-CG1 3.95Å; A86-A157 HydrophobicContact CB-CB 4.5Å
87L91.2Very high90.1Very high102 Ų10257.9 Ų57.953%0.53429%0.294SS..Hα-helixtrans-63.1-38.5176.4-69.8172.9000112.5E83 E84 E90 N91E83-L87 PolarHBondContact O-N 3.39Å; E84-L87 PolarHBondContact O-N 3.12Å; L87-E90 PolarHBondContact O-N 2.99Å; L87-N91 VanDerWaalsContact O-CB 3.31Å; L87-N91 WeakPolarHBondContact O-CB 3.3Å; L87-N91 PolarHBondContact O-N 3.33Å
88Q90.6Very high90.3Very high85 Ų8557.9 Ų57.940%0.39729%0.291SS..Hα-helixtrans-62.8-43.8175.4-74.4176.6-4.900111.8L32 E84 G85 A86 N91 A92L32-Q88 HydrophobicContact CD2-CB 4.2Å; E84-Q88 WeakPolarHBondContact O-CG 3.24Å; E84-Q88 PolarHBondContact O-N 2.85Å; G85-Q88 PolarHBondContact O-N 3.35Å; A86-Q88 VanDerWaalsContact C-N 3.34Å; A86-Q88 PolarHBondContact O-N 3.44Å; Q88-N91 PolarHBondContact O-N 2.8Å; Q88-A92 VanDerWaalsContact O-CB 3.28Å; Q88-A92 WeakPolarHBondContact O-CB 3.37Å; Q88-A92 PolarHBondContact O-N 2.86Å
89F91.5Very high90.5Very high1 Ų154.7 Ų54.70%0.00427%0.271CS..Hα-helixtrans-66.8-42.1175.4-78.4-54.2000112.4L32 P33 Y34 M79 G85 A86 N91 A92 V93 V112 I127 V155L32-F89 HydrophobicContact CB-CE1 4.2Å; L32-F89 HydrophobicContact CD1-CE1 4.3Å; L32-F89 HydrophobicContact CD2-CD1 4.46Å; P33-F89 HydrophobicContact CG-CD2 3.98Å; P33-F89 HydrophobicContact CG-CE2 3.4Å; P33-F89 HydrophobicContact CG-CZ 3.76Å; Y34-F89 HydrophobicContact CD1-CZ 4.4Å; Y34-F89 HydrophobicContact CD2-CE1 4.44Å; Y34-F89 HydrophobicContact CE1-CE1 4.19Å; Y34-F89 HydrophobicContact CE1-CZ 4.22Å; Y34-F89 AromaticContact CE2-CE1 3.92Å; Y34-F89 HydrophobicContact CE2-CE1 3.92Å; Y34-F89 HydrophobicContact CE2-CZ 4.48Å; Y34-F89 AromaticContact CZ-CE1 3.78Å; M79-F89 HydrophobicContact SD-CE2 4.22Å; M79-F89 HydrophobicContact SD-CZ 4.27Å; G85-F89 VanDerWaalsContact O-CD2 3.27Å; G85-F89 WeakPolarHBondContact O-CD2 2.99Å; G85-F89 PolarHBondContact O-N 3.02Å; G85-F89 VanDerWaalsContact O-N 3.07Å; A86-F89 PolarHBondContact O-N 3.32Å; F89-N91 VanDerWaalsContact C-N 3.3Å; F89-N91 PolarHBondContact O-N 2.89Å; F89-A92 PolarHBondContact O-N 2.94Å; F89-V93 VanDerWaalsContact O-CG2 3.3Å; F89-V93 WeakPolarHBondContact O-CG2 3.31Å; F89-V93 PolarHBondContact O-N 2.85Å; F89-V112 HydrophobicContact CD1-CG1 3.95Å; F89-V112 HydrophobicContact CE1-CG1 4.29Å; F89-I127 HydrophobicContact CB-CG2 4.2Å; F89-I127 HydrophobicContact CD1-CG2 4Å; F89-I127 HydrophobicContact CE2-CD1 4.32Å; F89-I127 HydrophobicContact CG-CG2 4.16Å; F89-I127 HydrophobicContact CZ-CD1 4.4Å; F89-V155 HydrophobicContact CB-CB 4.47Å; F89-V155 HydrophobicContact CB-CG1 4.08Å; F89-V155 HydrophobicContact CB-CG2 4.19Å; F89-V155 HydrophobicContact CD2-CG1 3.86Å; F89-V155 HydrophobicContact CD2-CG2 4.41Å; F89-V155 HydrophobicContact CG-CG1 4.39Å; F89-V155 HydrophobicContact CG-CG2 4.46Å
90E90.8Very high90.6Very high75 Ų7555.6 Ų55.635%0.3528%0.275SS..Hα-helixtrans-57.1-46174.6177.5174-175.700111.1A86 L87 V93 T94 Y125A86-E90 PolarHBondContact O-N 2.88Å; L87-E90 PolarHBondContact O-N 2.99Å; E90-V93 PolarHBondContact O-N 3.09Å; E90-T94 WeakPolarHBondContact O-CB 3.1Å; E90-T94 PolarHBondContact O-N 3.05Å; E90-T94 PolarHBondContact O-OG1 2.87Å; E90-Y125 HydrophobicContact CB-CD2 4.43Å; E90-Y125 HydrophobicContact CB-CG 4.44Å; E90-Y125 HydrophobicContact CG-CD1 4.17Å; E90-Y125 HydrophobicContact CG-CD2 3.55Å; E90-Y125 HydrophobicContact CG-CE1 4.23Å; E90-Y125 HydrophobicContact CG-CE2 3.62Å; E90-Y125 HydrophobicContact CG-CG 3.82Å; E90-Y125 WeakPolarHBondContact OE1-CE2 3.28Å
91N90.9Very high90.8Very high80 Ų8049.3 Ų49.343%0.42825%0.246SC..Hα-helixtrans-63.6-43.2177.2-171.623.6000112L87 Q88 F89 T94 H95L87-N91 VanDerWaalsContact O-CB 3.31Å; L87-N91 WeakPolarHBondContact O-CB 3.3Å; L87-N91 PolarHBondContact O-N 3.33Å; Q88-N91 PolarHBondContact O-N 2.8Å; F89-N91 VanDerWaalsContact C-N 3.3Å; F89-N91 PolarHBondContact O-N 2.89Å; N91-T94 PolarHBondContact O-N 2.83Å; N91-H95 PolarHBondContact O-N 3.4Å; N91-H95 VanDerWaalsContact O-N 3.07Å; N91-H95 PolarHBondContact O-ND1 3.45Å; N91-H95 PolarHBondContact OD1-CE1 2.95Å; N91-H95 PolarHBondContact OD1-ND1 2.76Å
92A91.7Very high91Very high1 Ų149.5 Ų49.51%0.00825%0.246CC..Hα-helixtrans-62.7-43.5177.900000111.9L32 Q88 F89 H95 H96 Y97 V112L32-A92 HydrophobicContact CD1-CB 4.38Å; L32-A92 HydrophobicContact CD2-CB 4.18Å; Q88-A92 VanDerWaalsContact O-CB 3.28Å; Q88-A92 WeakPolarHBondContact O-CB 3.37Å; Q88-A92 PolarHBondContact O-N 2.86Å; F89-A92 PolarHBondContact O-N 2.94Å; A92-H95 PolarHBondContact O-N 3.49Å; A92-H96 PolarHBondContact O-N 2.82Å; A92-Y97 HydrophobicContact CB-CD1 3.78Å; A92-Y97 HydrophobicContact CB-CD2 4.26Å; A92-Y97 HydrophobicContact CB-CE1 4.44Å; A92-Y97 HydrophobicContact CB-CG 3.7Å; A92-Y97 WeakPolarHBondContact O-CB 3.47Å; A92-Y97 WeakPolarHBondContact O-CD2 3.23Å; A92-Y97 PolarHBondContact O-N 2.84Å; A92-V112 HydrophobicContact CB-CG1 4.34Å
93V92.1Very high91Very high3 Ų345.8 Ų45.82%0.01822%0.224CC..Hα-helixtrans-67.3-42.4177174.80000110.8F89 E90 H95 H96 E114 K115 Y125 I127F89-V93 VanDerWaalsContact O-CG2 3.3Å; F89-V93 WeakPolarHBondContact O-CG2 3.31Å; F89-V93 PolarHBondContact O-N 2.85Å; E90-V93 PolarHBondContact O-N 3.09Å; V93-H95 VanDerWaalsContact C-N 3.29Å; V93-H95 PolarHBondContact O-N 2.86Å; V93-H96 PolarHBondContact O-N 3.43Å; V93-H96 VanDerWaalsContact O-N 3.12Å; V93-E114 VanDerWaalsContact CG1-C 3.41Å; V93-K115 HydrophobicContact CG1-CB 4.25Å; V93-Y125 HydrophobicContact CB-CD1 4.29Å; V93-Y125 HydrophobicContact CG1-CD1 3.99Å; V93-I127 HydrophobicContact CG2-CG2 4.15Å
94T90.7Very high90.9Very high53 Ų5340.3 Ų40.333%0.32520%0.198SC..Hα-helixtrans-57.3-42.5177.4-61.80000112E90 N91 H96 Y125E90-T94 WeakPolarHBondContact O-CB 3.1Å; E90-T94 PolarHBondContact O-N 3.05Å; E90-T94 PolarHBondContact O-OG1 2.87Å; N91-T94 PolarHBondContact O-N 2.83Å; T94-H96 VanDerWaalsContact C-N 3.33Å; T94-H96 PolarHBondContact O-N 2.73Å; T94-H96 PolarHBondContact O-ND1 3.21Å; T94-Y125 WeakPolarHBondContact OG1-CE1 3.49Å
95H90Very high90.7Very high67 Ų6735.3 Ų35.331%0.3118%0.176SC..THydrogen-bonded Turntrans-91.813.2-179.5-64.897.5000114.1N91 A92 V93 Y97 Y516N91-H95 PolarHBondContact O-N 3.4Å; N91-H95 VanDerWaalsContact O-N 3.07Å; N91-H95 PolarHBondContact O-ND1 3.45Å; N91-H95 PolarHBondContact OD1-CE1 2.95Å; N91-H95 PolarHBondContact OD1-ND1 2.76Å; A92-H95 PolarHBondContact O-N 3.49Å; V93-H95 VanDerWaalsContact C-N 3.29Å; V93-H95 PolarHBondContact O-N 2.86Å; H95-Y97 HydrophobicContact CB-CD2 3.85Å; H95-Y97 HydrophobicContact CB-CE2 3.65Å; H95-Y516 PolarHBondContact CD2-OH 2.97Å; H95-Y516 VanDerWaalsContact CD2-OH 3.31Å
96H91.1Very high90.9Very high114 Ų11435.2 Ų35.253%0.52818%0.176SC..THydrogen-bonded Turntrans53.756.5178.4-59.371.8000112.4Y20 A92 V93 T94Y20-H96 WeakPolarHBondContact CB-O 3.19Å; Y20-H96 PolarHBondContact N-O 2.98Å; A92-H96 PolarHBondContact O-N 2.82Å; V93-H96 PolarHBondContact O-N 3.43Å; V93-H96 VanDerWaalsContact O-N 3.12Å; T94-H96 VanDerWaalsContact C-N 3.33Å; T94-H96 PolarHBondContact O-N 2.73Å; T94-H96 PolarHBondContact O-ND1 3.21Å
97Y93Very high90.9Very high27 Ų2735.1 Ų35.111%0.10617%0.174CC..EExtended strand (participates in β ladder)trans-68.2135.4178.7-86.2-140.1000111.3V17 G18 P19 Y27 A92 H95 V112V17-Y97 HydrophobicContact CG2-CD1 3.92Å; G18-Y97 CarbonylContact O-C 3.5Å; G18-Y97 VanDerWaalsContact O-CA 3.26Å; G18-Y97 WeakPolarHBondContact O-CA 3.47Å; P19-Y97 HydrophobicContact CB-CD2 4.15Å; P19-Y97 HydrophobicContact CB-CE2 3.88Å; P19-Y97 HydrophobicContact CG-CD2 4.28Å; P19-Y97 HydrophobicContact CG-CE2 3.59Å; Y27-Y97 HydrophobicContact CD2-CE1 4.3Å; A92-Y97 HydrophobicContact CB-CD1 3.78Å; A92-Y97 HydrophobicContact CB-CD2 4.26Å; A92-Y97 HydrophobicContact CB-CE1 4.44Å; A92-Y97 HydrophobicContact CB-CG 3.7Å; A92-Y97 WeakPolarHBondContact O-CB 3.47Å; A92-Y97 WeakPolarHBondContact O-CD2 3.23Å; A92-Y97 PolarHBondContact O-N 2.84Å; H95-Y97 HydrophobicContact CB-CD2 3.85Å; H95-Y97 HydrophobicContact CB-CE2 3.65Å; Y97-V112 PolarHBondContact O-N 2.79Å; Y97-V112 VanDerWaalsContact O-N 3.07Å
98W92.5Very high91Very high24 Ų2430.5 Ų30.59%0.09115%0.15CC..EExtended strand (participates in β ladder)trans-120.4156171.766.5-71000108.9V17 G18 P19 Y20 R23 Q100 W109 G110V17-W98 CarbonylContact C-O 3.45Å; V17-W98 WeakPolarHBondContact CA-O 3.48Å; V17-W98 WeakPolarHBondContact CG2-O 2.9Å; G18-W98 PolarHBondContact N-O 2.93Å; G18-W98 PolarHBondContact O-N 2.98Å; G18-W98 PolarHBondContact O-NE1 2.9Å; P19-W98 PolarHBondContact O-NE1 1.98Å; Y20-W98 HydrophobicContact CD2-CG 4.48Å; R23-W98 HydrophobicContact CB-CZ2 4.42Å; R23-W98 HydrophobicContact CG-CZ2 4.29Å; W98-Q100 HydrophobicContact CZ3-CB 3.83Å; W98-Q100 HydrophobicContact CZ3-CG 4.34Å; W98-W109 AromaticContact CE3-CD1 3.52Å; W98-W109 HydrophobicContact CE3-CG 4.41Å; W98-W109 AromaticContact CZ3-CD1 3.22Å; W98-W109 HydrophobicContact CZ3-CG 4.4Å; W98-W109 AromaticContact CZ3-NE1 3.56Å; W98-G110 CarbonylContact C-O 3.43Å; W98-G110 WeakPolarHBondContact CA-O 3.4Å; W98-G110 WeakPolarHBondContact CB-O 3.34Å
99Y93.1Very high91Very high2 Ų232.4 Ų32.41%0.00815%0.153CC..EExtended strand (participates in β ladder)trans-124.6152.2175.558.7-90.9000111T16 F29 M101 W109 G110 V111 V112 K131 L147T16-Y99 CarbonylContact O-C 3.5Å; T16-Y99 VanDerWaalsContact O-CA 3.27Å; T16-Y99 WeakPolarHBondContact O-CA 3.3Å; F29-Y99 HydrophobicContact CD2-CD2 4.38Å; F29-Y99 HydrophobicContact CD2-CG 4.23Å; F29-Y99 HydrophobicContact CE2-CD1 4.27Å; F29-Y99 AromaticContact CE2-CD2 3.7Å; F29-Y99 HydrophobicContact CE2-CD2 3.7Å; F29-Y99 HydrophobicContact CE2-CE2 4.4Å; F29-Y99 AromaticContact CE2-CG 3.63Å; F29-Y99 HydrophobicContact CE2-CG 3.63Å; Y99-M101 HydrophobicContact CD2-CE 4.31Å; Y99-M101 HydrophobicContact CD2-CG 4.02Å; Y99-M101 HydrophobicContact CD2-SD 4.17Å; Y99-M101 HydrophobicContact CE2-CE 3.68Å; Y99-M101 HydrophobicContact CE2-CG 4.29Å; Y99-M101 HydrophobicContact CE2-SD 3.88Å; Y99-W109 WeakPolarHBondContact O-CA 3.48Å; Y99-G110 WeakPolarHBondContact CD1-O 3.49Å; Y99-G110 PolarHBondContact N-O 2.78Å; Y99-G110 PolarHBondContact O-N 2.92Å; Y99-V111 WeakPolarHBondContact CE1-O 3.39Å; Y99-V112 HydrophobicContact CD1-CG2 4.07Å; Y99-K131 VanDerWaalsContact OH-CE 3.3Å; Y99-K131 WeakPolarHBondContact OH-CE 3.34Å; Y99-L147 HydrophobicContact CE2-CD2 4.12Å
100Q91.4Very high91.1Very high27 Ų2732.7 Ų32.713%0.12616%0.156CC..EExtended strand (participates in β ladder)trans-112.2136.1177.8-164174.625.400110.8N15 T16 W98 F102 I108N15-Q100 HydrophobicContact CB-CB 4.34Å; N15-Q100 PolarHBondContact N-O 2.82Å; N15-Q100 PolarHBondContact ND2-OE1 3.1Å; N15-Q100 VanDerWaalsContact ND2-OE1 3.12Å; T16-Q100 PolarHBondContact O-N 2.96Å; W98-Q100 HydrophobicContact CZ3-CB 3.83Å; W98-Q100 HydrophobicContact CZ3-CG 4.34Å; Q100-F102 VanDerWaalsContact CD-CZ 3.44Å; Q100-F102 HydrophobicContact CG-CE2 3.92Å; Q100-F102 HydrophobicContact CG-CZ 4.04Å; Q100-I108 WeakPolarHBondContact CA-O 3.43Å
101M92.5Very high91.2Very high2 Ų232.4 Ų32.41%0.0116%0.159CC..EExtended strand (participates in β ladder)trans-128.6164.9170.2-55.2179.8-62.400109.4L12 W13 V14 Y99 I108 F133 L147L12-M101 HydrophobicContact CD1-CB 4.04Å; L12-M101 HydrophobicContact CD2-SD 4.12Å; W13-M101 CarbonylContact O-C 3.58Å; W13-M101 WeakPolarHBondContact O-CA 3.42Å; W13-M101 VanDerWaalsContact O-CB 3.29Å; W13-M101 WeakPolarHBondContact O-CB 3.43Å; V14-M101 HydrophobicContact CB-CG 4.49Å; V14-M101 HydrophobicContact CG1-CG 4.05Å; V14-M101 HydrophobicContact CG1-SD 4.13Å; Y99-M101 HydrophobicContact CD2-CE 4.31Å; Y99-M101 HydrophobicContact CD2-CG 4.02Å; Y99-M101 HydrophobicContact CD2-SD 4.17Å; Y99-M101 HydrophobicContact CE2-CE 3.68Å; Y99-M101 HydrophobicContact CE2-CG 4.29Å; Y99-M101 HydrophobicContact CE2-SD 3.88Å; M101-I108 HydrophobicContact CB-CB 4.24Å; M101-I108 HydrophobicContact CE-CB 4.41Å; M101-I108 HydrophobicContact CE-CG2 3.88Å; M101-I108 PolarHBondContact N-O 3.38Å; M101-I108 PolarHBondContact O-N 3.43Å; M101-F133 HydrophobicContact CE-CE1 3.66Å; M101-F133 HydrophobicContact CE-CZ 3.81Å; M101-F133 HydrophobicContact SD-CZ 4.45Å; M101-L147 HydrophobicContact CE-CD2 3.56Å
102F90.4Very high91.3Very high10 Ų1028.6 Ų28.64%0.04414%0.139CC..EExtended strand (participates in β ladder)trans-135.1138.1176.4-67-85.2000110.9W13 N15 L58 Q100 L106 P107 R293W13-F102 HydrophobicContact CB-CB 4.38Å; W13-F102 PolarHBondContact N-O 2.9Å; W13-F102 PolarHBondContact O-N 3.17Å; N15-F102 HydrophobicContact CB-CD2 4.06Å; N15-F102 HydrophobicContact CB-CE2 3.85Å; L58-F102 HydrophobicContact CD2-CD2 3.74Å; L58-F102 HydrophobicContact CD2-CE2 4.24Å; Q100-F102 VanDerWaalsContact CD-CZ 3.44Å; Q100-F102 HydrophobicContact CG-CE2 3.92Å; Q100-F102 HydrophobicContact CG-CZ 4.04Å; F102-L106 WeakPolarHBondContact CA-O 3.5Å; F102-P107 HydrophobicContact CD1-CB 4.13Å; F102-P107 HydrophobicContact CE1-CB 3.72Å; F102-R293 HydrophobicContact CE1-CG 4.33Å; F102-R293 HydrophobicContact CZ-CG 4.49Å
103M90.2Very high91.3Very high0 Ų028.9 Ų28.90%014%0.142CC..EExtended strand (participates in β ladder)trans-132.9119.2171.1-179.6-179.5-71.200107.5V10 L12 I65 D105 L106 I108 I135 I142 V145V10-M103 HydrophobicContact CG1-CE 4.39Å; V10-M103 HydrophobicContact CG1-CG 3.74Å; V10-M103 HydrophobicContact CG1-SD 3.98Å; L12-M103 HydrophobicContact CB-CE 4.34Å; L12-M103 HydrophobicContact CD1-CB 4.22Å; L12-M103 HydrophobicContact CD1-CE 4.03Å; I65-M103 HydrophobicContact CD1-CE 3.8Å; M103-D105 VanDerWaalsContact C-N 3.26Å; M103-D105 PolarHBondContact O-N 3.07Å; M103-L106 PolarHBondContact N-O 3.33Å; M103-L106 VanDerWaalsContact N-O 3.1Å; M103-L106 VanDerWaalsContact O-CB 3.28Å; M103-L106 WeakPolarHBondContact O-CB 3.38Å; M103-L106 PolarHBondContact O-N 2.9Å; M103-I108 HydrophobicContact CB-CD1 4Å; M103-I135 HydrophobicContact CE-CD1 3.77Å; M103-I135 HydrophobicContact CE-CG1 4.44Å; M103-I135 HydrophobicContact SD-CD1 3.6Å; M103-I135 HydrophobicContact SD-CG1 3.97Å; M103-I135 HydrophobicContact SD-CG2 4.26Å; M103-I142 HydrophobicContact CG-CD1 4.31Å; M103-I142 HydrophobicContact SD-CD1 4.4Å; M103-V145 HydrophobicContact CB-CG2 4.26Å; M103-V145 HydrophobicContact CG-CG2 4.33Å; M103-V145 HydrophobicContact SD-CG1 4.27Å; M103-V145 HydrophobicContact SD-CG2 3.84Å
104D88.2Confident91.2Very high9 Ų933.8 Ų33.85%0.04817%0.165CC..THydrogen-bonded Turntrans51.541.5-177.1-160.254.2000114.2F2 Y4 L106 I142 R179F2-D104 WeakPolarHBondContact CB-OD1 3.43Å; F2-D104 WeakPolarHBondContact CD2-OD1 3.35Å; Y4-D104 PolarHBondContact OH-OD1 3.46Å; D104-L106 PolarHBondContact O-N 3.44Å; D104-I142 HydrophobicContact CB-CB 4.39Å; D104-I142 HydrophobicContact CB-CD1 4.19Å; D104-R179 PolarHBondContact O-NH2 2.64Å; D104-R179 VanDerWaalsContact O-NH2 3.16Å; D104-R179 IonicContact OD2-CZ 3.52Å; D104-R179 IonicContact OD2-NH1 3.57Å; D104-R179 PolarHBondContact OD2-NH1 3.48Å
105D86.7Confident91.1Very high44 Ų4436 Ų3624%0.23517%0.17CC..THydrogen-bonded Turntrans66-1.2-172-61.7-46.8000116.1M103 R293M103-D105 VanDerWaalsContact C-N 3.26Å; M103-D105 PolarHBondContact O-N 3.07Å; D105-R293 IonicContact OD1-CZ 3.54Å; D105-R293 IonicContact OD1-NE 3.99Å; D105-R293 IonicContact OD1-NH2 3.43Å; D105-R293 PolarHBondContact OD1-NH2 3.47Å
106L90.4Very high90.9Very high0 Ų034.9 Ų34.90%017%0.168CC..EExtended strand (participates in β ladder)trans-77.9124.8174.7-58.3173.3000110.3F102 M103 D104 I142 V145 R179 F180 Y183F102-L106 WeakPolarHBondContact CA-O 3.5Å; M103-L106 PolarHBondContact N-O 3.33Å; M103-L106 VanDerWaalsContact N-O 3.1Å; M103-L106 VanDerWaalsContact O-CB 3.28Å; M103-L106 WeakPolarHBondContact O-CB 3.38Å; M103-L106 PolarHBondContact O-N 2.9Å; D104-L106 PolarHBondContact O-N 3.44Å; L106-I142 HydrophobicContact CD1-CG2 3.98Å; L106-V145 HydrophobicContact CB-CG2 4.43Å; L106-V145 HydrophobicContact CD1-CG2 3.92Å; L106-R179 HydrophobicContact CD2-CG 4.1Å; L106-F180 HydrophobicContact CD2-CD1 4.45Å; L106-F180 HydrophobicContact CD2-CE1 4.1Å; L106-F180 HydrophobicContact CD2-CE2 4.41Å; L106-F180 HydrophobicContact CD2-CZ 4.08Å; L106-Y183 HydrophobicContact CD2-CE2 4.02Å
107P90.3Very high90.6Very high12 Ų1233.9 Ų33.98%0.07817%0.169CC..EExtended strand (participates in β ladder)trans-76.1135.6179.930.1-33.4000111.4F102 W109 Y183F102-P107 HydrophobicContact CD1-CB 4.13Å; F102-P107 HydrophobicContact CE1-CB 3.72Å; P107-W109 HydrophobicContact CB-CH2 3.95Å; P107-W109 HydrophobicContact CB-CZ2 3.67Å; P107-W109 HydrophobicContact CG-CH2 3.66Å; P107-W109 HydrophobicContact CG-CZ2 3.86Å; P107-W109 HydrophobicContact CG-CZ3 4.39Å; P107-Y183 HydrophobicContact CG-CD1 3.94Å; P107-Y183 HydrophobicContact CG-CD2 4.49Å; P107-Y183 HydrophobicContact CG-CE1 3.83Å; P107-Y183 HydrophobicContact CG-CE2 4.44Å; P107-Y183 HydrophobicContact CG-CG 4.26Å; P107-Y183 WeakPolarHBondContact O-CE1 3.37Å; P107-Y183 PolarHBondContact O-OH 3.18Å
108I92.6Very high90Very high5 Ų535.6 Ų35.63%0.02618%0.18CC..EExtended strand (participates in β ladder)trans-121.1133.3175.3-54165.1000107.6L12 Q100 M101 M103 F133 V145 L147L12-I108 HydrophobicContact CD1-CD1 3.81Å; Q100-I108 WeakPolarHBondContact CA-O 3.43Å; M101-I108 HydrophobicContact CB-CB 4.24Å; M101-I108 HydrophobicContact CE-CB 4.41Å; M101-I108 HydrophobicContact CE-CG2 3.88Å; M101-I108 PolarHBondContact N-O 3.38Å; M101-I108 PolarHBondContact O-N 3.43Å; M103-I108 HydrophobicContact CB-CD1 4Å; I108-F133 HydrophobicContact CD1-CE1 4.35Å; I108-V145 HydrophobicContact CD1-CB 4.17Å; I108-V145 HydrophobicContact CD1-CG1 3.41Å; I108-V145 VanDerWaalsContact CD1-CG1 3.41Å; I108-V145 HydrophobicContact CG1-CB 4.13Å; I108-V145 HydrophobicContact CG1-CG1 3.78Å; I108-L147 HydrophobicContact CG2-CB 3.4Å; I108-L147 HydrophobicContact CG2-CD2 3.78Å; I108-L147 HydrophobicContact CG2-CG 4.22Å
109W91.5Very high89.5Confident125 Ų12542.7 Ų42.747%0.47322%0.22SC..EExtended strand (participates in β ladder)trans-115.8136.2177.6-59.7-68000110.4W98 Y99 P107 Y183W98-W109 AromaticContact CE3-CD1 3.52Å; W98-W109 HydrophobicContact CE3-CG 4.41Å; W98-W109 AromaticContact CZ3-CD1 3.22Å; W98-W109 HydrophobicContact CZ3-CG 4.4Å; W98-W109 AromaticContact CZ3-NE1 3.56Å; Y99-W109 WeakPolarHBondContact O-CA 3.48Å; P107-W109 HydrophobicContact CB-CH2 3.95Å; P107-W109 HydrophobicContact CB-CZ2 3.67Å; P107-W109 HydrophobicContact CG-CH2 3.66Å; P107-W109 HydrophobicContact CG-CZ2 3.86Å; P107-W109 HydrophobicContact CG-CZ3 4.39Å; W109-Y183 AromaticContact CH2-CD1 3.55Å; W109-Y183 HydrophobicContact CH2-CD1 3.55Å; W109-Y183 AromaticContact CH2-CE1 3.99Å; W109-Y183 HydrophobicContact CH2-CE1 3.99Å; W109-Y183 AromaticContact CZ3-CD1 3.47Å; W109-Y183 HydrophobicContact CZ3-CD1 3.47Å; W109-Y183 VanDerWaalsContact CZ3-CD1 3.47Å; W109-Y183 AromaticContact CZ3-CE1 3.62Å; W109-Y183 HydrophobicContact CZ3-CE1 3.62Å
110G92.5Very high89Confident6 Ų649.3 Ų49.36%0.06226%0.255CS..EExtended strand (participates in β ladder)trans-134.8158.6172.500000111.1W98 Y99W98-G110 CarbonylContact C-O 3.43Å; W98-G110 WeakPolarHBondContact CA-O 3.4Å; W98-G110 WeakPolarHBondContact CB-O 3.34Å; Y99-G110 WeakPolarHBondContact CD1-O 3.49Å; Y99-G110 PolarHBondContact N-O 2.78Å; Y99-G110 PolarHBondContact O-N 2.92Å
111V92.9Very high88.5Confident69 Ų6950.4 Ų50.442%0.41827%0.274SS..EExtended strand (participates in β ladder)trans-103.6141175.1-1760000108.2Y99 G113 F128Y99-V111 WeakPolarHBondContact CE1-O 3.39Å; V111-G113 VanDerWaalsContact CG1-O 3.32Å; V111-G113 WeakPolarHBondContact CG1-O 3.37Å; V111-F128 HydrophobicContact CB-CE2 4.46Å; V111-F128 WeakPolarHBondContact O-CD2 3.49Å
112V92.8Very high88.1Confident0 Ų055.1 Ų55.10%030%0.299CS..  trans-65.8-43.9-179.21710000111.1V17 L32 F89 A92 Y97 Y99 I127 F128V17-V112 HydrophobicContact CG2-CG2 4.01Å; L32-V112 HydrophobicContact CD1-CG1 4.27Å; L32-V112 HydrophobicContact CD1-CG2 3.92Å; F89-V112 HydrophobicContact CD1-CG1 3.95Å; F89-V112 HydrophobicContact CE1-CG1 4.29Å; A92-V112 HydrophobicContact CB-CG1 4.34Å; Y97-V112 PolarHBondContact O-N 2.79Å; Y97-V112 VanDerWaalsContact O-N 3.07Å; Y99-V112 HydrophobicContact CD1-CG2 4.07Å; V112-I127 HydrophobicContact CG1-CG2 4.26Å; V112-I127 WeakPolarHBondContact O-CA 3.33Å; V112-F128 PolarHBondContact O-N 2.84Å
113G91.9Very high87.8Confident7 Ų757.4 Ų57.47%0.07232%0.315CS..EExtended strand (participates in β ladder)trans-174.4-175.5-176.100000113.1V111 K126V111-G113 VanDerWaalsContact CG1-O 3.32Å; V111-G113 WeakPolarHBondContact CG1-O 3.37Å; G113-K126 CarbonylContact C-O 3.56Å; G113-K126 WeakPolarHBondContact CA-O 3.42Å
114E91Very high87.6Confident107 Ų10758.6 Ų58.650%0.532%0.322SS..EExtended strand (participates in β ladder)trans-135.4142.2-178.3-171.7173.5-17600110.6V93 V116 K126 L152V93-E114 VanDerWaalsContact CG1-C 3.41Å; E114-V116 PolarHBondContact O-N 3.12Å; E114-K126 PolarHBondContact N-O 3.07Å; E114-K126 PolarHBondContact O-N 2.91Å; E114-K126 VanDerWaalsContact O-N 3.14Å; E114-L152 HydrophobicContact CB-CD2 4.35Å
115K87.3Confident87.6Confident100 Ų10060.8 Ų60.844%0.43533%0.33SS..EExtended strand (participates in β ladder)trans-82.2109.6171.4-177.6-178.9-178.2174.50108.5V93 P123 Y125V93-K115 HydrophobicContact CG1-CB 4.25Å; K115-P123 HydrophobicContact CD-CB 4.38Å; K115-P123 HydrophobicContact CG-CB 4.27Å; K115-Y125 HydrophobicContact CB-CD1 4.47Å; K115-Y125 HydrophobicContact CD-CE1 4.11Å; K115-Y125 HydrophobicContact CG-CD1 4.28Å; K115-Y125 HydrophobicContact CG-CE1 4.1Å
116V86.9Confident87.8Confident43 Ų4360.8 Ų60.826%0.26133%0.328SS..EExtended strand (participates in β ladder)trans-99.1137.6176.9-178.10000108.2E114 T124 K126 L152E114-V116 PolarHBondContact O-N 3.12Å; V116-T124 PolarHBondContact N-O 3.35Å; V116-T124 PolarHBondContact O-N 3.12Å; V116-T124 VanDerWaalsContact O-O 3.08Å; V116-T124 PolarHBondContact O-OG1 2.99Å; V116-K126 HydrophobicContact CB-CD 4.41Å; V116-K126 HydrophobicContact CG2-CD 4.07Å; V116-K126 HydrophobicContact CG2-CG 4.36Å; V116-L152 HydrophobicContact CG2-CD1 4.47Å
117V83.6Confident87.9Confident92 Ų9260.8 Ų60.856%0.55833%0.328SS*.EExtended strand (participates in β ladder)trans-97.3119.2172.8-177.60000107.4
118D80.9Confident88.1Confident64 Ų6461.9 Ų61.934%0.34233%0.332SS..PPolyproline II helixtrans-68.7166177-72.6-3.4000110.9N120 G121 N122 T124D118-N120 PolarHBondContact O-N 3.22Å; D118-G121 PolarHBondContact O-N 3.13Å; D118-N122 PolarHBondContact N-O 3.41Å; D118-T124 VanDerWaalsContact CG-CG2 3.44Å; D118-T124 WeakPolarHBondContact OD1-CG2 3.42Å; D118-T124 PolarHBondContact OD1-OG1 2.95Å; D118-T124 WeakPolarHBondContact OD2-CG2 3.2Å
119N83.1Confident88.1Confident173 Ų17362.1 Ų62.193%0.92533%0.334SS*.THydrogen-bonded Turntrans-54.5-24.5177.8-67.6-10.2000113.7G121N119-G121 VanDerWaalsContact C-N 3.28Å; N119-G121 PolarHBondContact O-N 2.91Å
120N82.3Confident88.2Confident140 Ų14056.6 Ų56.675%0.74931%0.313SS*.THydrogen-bonded Turntrans-83.30.2178.7-64.3-6.2000113.3D118 N122D118-N120 PolarHBondContact O-N 3.22Å; N120-N122 PolarHBondContact O-N 3.18Å
121G81.4Confident88.3Confident50 Ų5057 Ų5752%0.51531%0.313SS..SBendtrans79.6-0.4-174.600000114.2D118 N119D118-G121 PolarHBondContact O-N 3.13Å; N119-G121 VanDerWaalsContact C-N 3.28Å; N119-G121 PolarHBondContact O-N 2.91Å
122N84Confident88.4Confident102 Ų10255.2 Ų55.255%0.54530%0.3SS..  trans-79.6130.7177.8-69.7-10.8000110.2D118 N120 T124D118-N122 PolarHBondContact N-O 3.41Å; N120-N122 PolarHBondContact O-N 3.18Å; N122-T124 PolarHBondContact O-N 3.29Å
123P83.4Confident88.5Confident57 Ų5755.2 Ų55.237%0.3730%0.3SS..EExtended strand (participates in β ladder)trans-73.1125.6174.829.2-32.5000110.9K115K115-P123 HydrophobicContact CD-CB 4.38Å; K115-P123 HydrophobicContact CG-CB 4.27Å
124T86.7Confident88.7Confident26 Ų2657.6 Ų57.616%0.1631%0.309CS..EExtended strand (participates in β ladder)trans-106.7136.3166.853.30000110.4V116 D118 N122 K126V116-T124 PolarHBondContact N-O 3.35Å; V116-T124 PolarHBondContact O-N 3.12Å; V116-T124 VanDerWaalsContact O-O 3.08Å; V116-T124 PolarHBondContact O-OG1 2.99Å; D118-T124 VanDerWaalsContact CG-CG2 3.44Å; D118-T124 WeakPolarHBondContact OD1-CG2 3.42Å; D118-T124 PolarHBondContact OD1-OG1 2.95Å; D118-T124 WeakPolarHBondContact OD2-CG2 3.2Å; N122-T124 PolarHBondContact O-N 3.29Å; T124-K126 VanDerWaalsContact OG1-CE 3.32Å; T124-K126 WeakPolarHBondContact OG1-CE 3.35Å
125Y88Confident88.9Confident54 Ų5452.5 Ų52.521%0.21229%0.286CS..EExtended strand (participates in β ladder)trans-100.6116.2-179.5-56.6-82.7000108.8E90 V93 T94 K115 V155E90-Y125 HydrophobicContact CB-CD2 4.43Å; E90-Y125 HydrophobicContact CB-CG 4.44Å; E90-Y125 HydrophobicContact CG-CD1 4.17Å; E90-Y125 HydrophobicContact CG-CD2 3.55Å; E90-Y125 HydrophobicContact CG-CE1 4.23Å; E90-Y125 HydrophobicContact CG-CE2 3.62Å; E90-Y125 HydrophobicContact CG-CG 3.82Å; E90-Y125 WeakPolarHBondContact OE1-CE2 3.28Å; V93-Y125 HydrophobicContact CB-CD1 4.29Å; V93-Y125 HydrophobicContact CG1-CD1 3.99Å; T94-Y125 WeakPolarHBondContact OG1-CE1 3.49Å; K115-Y125 HydrophobicContact CB-CD1 4.47Å; K115-Y125 HydrophobicContact CD-CE1 4.11Å; K115-Y125 HydrophobicContact CG-CD1 4.28Å; K115-Y125 HydrophobicContact CG-CE1 4.1Å; Y125-V155 PolarHBondContact O-N 3.03Å
126K91Very high89.2Confident45 Ų4548.1 Ų48.120%0.19627%0.269CS..EExtended strand (participates in β ladder)trans-120.2142.8-175.8-53.5-166.1-169.9-1650110.5G113 E114 V116 T124 L152 V153 N154G113-K126 CarbonylContact C-O 3.56Å; G113-K126 WeakPolarHBondContact CA-O 3.42Å; E114-K126 PolarHBondContact N-O 3.07Å; E114-K126 PolarHBondContact O-N 2.91Å; E114-K126 VanDerWaalsContact O-N 3.14Å; V116-K126 HydrophobicContact CB-CD 4.41Å; V116-K126 HydrophobicContact CG2-CD 4.07Å; V116-K126 HydrophobicContact CG2-CG 4.36Å; T124-K126 VanDerWaalsContact OG1-CE 3.32Å; T124-K126 WeakPolarHBondContact OG1-CE 3.35Å; K126-L152 HydrophobicContact CB-CB 4.06Å; K126-L152 HydrophobicContact CB-CD2 3.99Å; K126-L152 HydrophobicContact CD-CB 4.23Å; K126-V153 CarbonylContact C-O 3.43Å; K126-V153 VanDerWaalsContact CA-O 3.22Å; K126-V153 WeakPolarHBondContact CA-O 3.29Å; K126-N154 VanDerWaalsContact CD-OD1 3.24Å; K126-N154 WeakPolarHBondContact CD-OD1 3.48Å; K126-N154 WeakPolarHBondContact CE-OD1 3.34Å; K126-N154 VanDerWaalsContact CG-OD1 3.31Å; K126-N154 WeakPolarHBondContact CG-OD1 3.36Å; K126-N154 PolarHBondContact NZ-OD1 3.19Å
127I92.4Very high89.6Confident0 Ų048.6 Ų48.60%027%0.266CS..EExtended strand (participates in β ladder)trans-110.1151177.261.7172.8000111.3M79 F89 V93 V112 T129 L152 V153 V155M79-I127 HydrophobicContact CE-CD1 3.39Å; F89-I127 HydrophobicContact CB-CG2 4.2Å; F89-I127 HydrophobicContact CD1-CG2 4Å; F89-I127 HydrophobicContact CE2-CD1 4.32Å; F89-I127 HydrophobicContact CG-CG2 4.16Å; F89-I127 HydrophobicContact CZ-CD1 4.4Å; V93-I127 HydrophobicContact CG2-CG2 4.15Å; V112-I127 HydrophobicContact CG1-CG2 4.26Å; V112-I127 WeakPolarHBondContact O-CA 3.33Å; I127-T129 HydrophobicContact CG1-CG2 4.31Å; I127-L152 WeakPolarHBondContact O-CA 3.34Å; I127-V153 PolarHBondContact N-O 3.08Å; I127-V153 PolarHBondContact O-N 2.93Å; I127-V155 HydrophobicContact CB-CG2 4.01Å; I127-V155 HydrophobicContact CD1-CG2 3.54Å; I127-V155 HydrophobicContact CG1-CG2 3.47Å; I127-V155 VanDerWaalsContact CG1-CG2 3.47Å; I127-V155 HydrophobicContact CG2-CG2 3.48Å; I127-V155 VanDerWaalsContact CG2-CG2 3.48Å
128F93.6Very high90Very high35 Ų3546.9 Ų46.915%0.15425%0.254CS..EExtended strand (participates in β ladder)trans-79.1122.9172.5-66.5-76000110.3V111 V112 L152V111-F128 HydrophobicContact CB-CE2 4.46Å; V111-F128 WeakPolarHBondContact O-CD2 3.49Å; V112-F128 PolarHBondContact O-N 2.84Å; F128-L152 HydrophobicContact CD1-CD2 3.66Å; F128-L152 HydrophobicContact CD1-CG 3.97Å; F128-L152 HydrophobicContact CD2-CD2 4.18Å; F128-L152 HydrophobicContact CE1-CD1 4.24Å; F128-L152 HydrophobicContact CE1-CD2 3.48Å; F128-L152 VanDerWaalsContact CE1-CD2 3.48Å; F128-L152 HydrophobicContact CE1-CG 3.66Å; F128-L152 HydrophobicContact CE2-CD2 4.01Å; F128-L152 HydrophobicContact CG-CD2 4.01Å; F128-L152 HydrophobicContact CZ-CD2 3.67Å; F128-L152 HydrophobicContact CZ-CG 4.21Å
129T92.1Very high90.5Very high10 Ų1046.1 Ų46.16%0.06126%0.261CS..EExtended strand (participates in β ladder)trans-103.8-17.1-17757.50000113.3I127 E150 S151 V153 V161 L163 T164I127-T129 HydrophobicContact CG1-CG2 4.31Å; T129-E150 PolarHBondContact N-O 2.89Å; T129-S151 PolarHBondContact N-O 2.93Å; T129-S151 VanDerWaalsContact OG1-CB 3.27Å; T129-S151 WeakPolarHBondContact OG1-CB 3.36Å; T129-S151 PolarHBondContact OG1-O 3.22Å; T129-V153 HydrophobicContact CG2-CB 3.76Å; T129-V153 HydrophobicContact CG2-CG2 3.57Å; T129-V161 HydrophobicContact CG2-CG1 3.43Å; T129-V161 VanDerWaalsContact CG2-CG1 3.43Å; T129-L163 HydrophobicContact CG2-CD2 4.34Å; T129-T164 PolarHBondContact O-N 3.41Å
130H94Very high90.9Very high9 Ų942.4 Ų42.44%0.04224%0.238CC..EExtended strand (participates in β ladder)trans-111.9129179.1-172.251000111.6S149 E150 T164H130-S149 WeakPolarHBondContact O-CA 3.32Å; H130-E150 HydrophobicContact CB-CB 4.09Å; H130-E150 WeakPolarHBondContact CB-O 3.16Å; H130-E150 IonicContact CD2-OE2 2.67Å; H130-E150 PolarHBondContact N-O 3.19Å; H130-E150 PolarHBondContact O-N 2.86Å; H130-T164 WeakPolarHBondContact CA-O 3.49Å; H130-T164 WeakPolarHBondContact CB-OG1 3.41Å; H130-T164 PolarHBondContact ND1-O 2.81Å; H130-T164 PolarHBondContact ND1-OG1 2.83Å
131K94.4Very high91.4Very high13 Ų1337.6 Ų37.66%0.05721%0.211CC..EExtended strand (participates in β ladder)trans-114.8111.2174.6-65.6-178.6-173.7-1800109.8Y99 F133 L147 T164 Y165 A166Y99-K131 VanDerWaalsContact OH-CE 3.3Å; Y99-K131 WeakPolarHBondContact OH-CE 3.34Å; K131-F133 HydrophobicContact CB-CD2 4.49Å; K131-F133 HydrophobicContact CB-CE2 3.84Å; K131-F133 HydrophobicContact CB-CZ 4.25Å; K131-F133 HydrophobicContact CD-CZ 4.35Å; K131-L147 HydrophobicContact CB-CD1 3.78Å; K131-L147 HydrophobicContact CG-CD1 4.21Å; K131-T164 PolarHBondContact N-O 3.1Å; K131-Y165 CarbonylContact O-C 3.57Å; K131-Y165 WeakPolarHBondContact O-CA 3.29Å; K131-A166 PolarHBondContact O-N 2.95Å
132H95.6Very high91.9Very high33 Ų3335.2 Ų35.215%0.15319%0.187CC..EExtended strand (participates in β ladder)trans-101.9116.1175.6-178.270.5000109.8L147 T148 A166 E168H132-L147 WeakPolarHBondContact O-CA 3.06Å; H132-T148 WeakPolarHBondContact CB-OG1 3.44Å; H132-T148 PolarHBondContact N-O 2.94Å; H132-T148 PolarHBondContact O-N 2.86Å; H132-A166 VanDerWaalsContact ND1-CB 3.35Å; H132-A166 WeakPolarHBondContact ND1-CB 3.44Å; H132-E168 IonicContact CE1-OE2 2.63Å; H132-E168 IonicContact NE2-OE2 3.87Å; H132-E168 PolarHBondContact NE2-OE2 2.8Å
133F95.6Very high92.3Very high0 Ų030.5 Ų30.50%016%0.161CC..EExtended strand (participates in β ladder)trans-99.4117.3-179-66.4-83.5000109.8L12 L63 M101 I108 K131 I135 N146 L147 A166 V167 E168L12-F133 HydrophobicContact CD1-CE1 4.3Å; L12-F133 HydrophobicContact CD2-CE1 4Å; L12-F133 HydrophobicContact CD2-CE2 4.3Å; L12-F133 HydrophobicContact CD2-CZ 3.6Å; L63-F133 HydrophobicContact CD1-CE2 4.15Å; M101-F133 HydrophobicContact CE-CE1 3.66Å; M101-F133 HydrophobicContact CE-CZ 3.81Å; M101-F133 HydrophobicContact SD-CZ 4.45Å; I108-F133 HydrophobicContact CD1-CE1 4.35Å; K131-F133 HydrophobicContact CB-CD2 4.49Å; K131-F133 HydrophobicContact CB-CE2 3.84Å; K131-F133 HydrophobicContact CB-CZ 4.25Å; K131-F133 HydrophobicContact CD-CZ 4.35Å; F133-I135 HydrophobicContact CB-CG1 4.48Å; F133-N146 WeakPolarHBondContact CA-O 3.45Å; F133-L147 HydrophobicContact CD1-CD1 4.02Å; F133-L147 HydrophobicContact CE1-CD1 3.77Å; F133-L147 HydrophobicContact CE2-CD1 4.42Å; F133-L147 HydrophobicContact CG-CD1 4.46Å; F133-L147 HydrophobicContact CZ-CD1 3.98Å; F133-A166 PolarHBondContact N-O 2.86Å; F133-V167 HydrophobicContact CB-CG2 4.41Å; F133-V167 WeakPolarHBondContact O-CA 3.49Å; F133-E168 PolarHBondContact O-N 2.81Å
134Q95.3Very high92.7Very high57 Ų5729.2 Ų29.227%0.26615%0.152SC..EExtended strand (participates in β ladder)trans-103113.7171.2-68.5-175.6-34.300109V145 N146 E168 I170Q134-V145 WeakPolarHBondContact O-CA 3.32Å; Q134-N146 HydrophobicContact CB-CB 4.09Å; Q134-N146 PolarHBondContact N-O 3.03Å; Q134-N146 PolarHBondContact O-N 3.17Å; Q134-E168 CarbonylContact C-O 3.58Å; Q134-E168 WeakPolarHBondContact CA-O 3.42Å; Q134-E168 HydrophobicContact CG-CB 4.38Å; Q134-E168 PolarHBondContact NE2-OE2 3.22Å; Q134-I170 HydrophobicContact CB-CD1 4.13Å; Q134-I170 HydrophobicContact CG-CD1 4.32Å
135I95.4Very high93Very high0 Ų028.2 Ų28.20%015%0.145CC..EExtended strand (participates in β ladder)trans-112113.1-173.5-51.9168.6000109.1I65 M103 F133 I142 D144 V145 V167 E168 W169 I170I65-I135 HydrophobicContact CG2-CD1 4.22Å; M103-I135 HydrophobicContact CE-CD1 3.77Å; M103-I135 HydrophobicContact CE-CG1 4.44Å; M103-I135 HydrophobicContact SD-CD1 3.6Å; M103-I135 HydrophobicContact SD-CG1 3.97Å; M103-I135 HydrophobicContact SD-CG2 4.26Å; F133-I135 HydrophobicContact CB-CG1 4.48Å; I135-I142 HydrophobicContact CG2-CG1 4.47Å; I135-I142 HydrophobicContact CG2-CG2 3.7Å; I135-D144 CarbonylContact C-O 3.55Å; I135-D144 WeakPolarHBondContact CA-O 3.47Å; I135-V145 HydrophobicContact CG1-CG1 4.39Å; I135-V145 HydrophobicContact CG2-CG2 4.31Å; I135-V167 HydrophobicContact CD1-CG1 3.61Å; I135-V167 HydrophobicContact CG1-CG1 4.43Å; I135-E168 PolarHBondContact N-O 2.87Å; I135-W169 HydrophobicContact CB-CD2 4.08Å; I135-W169 HydrophobicContact CB-CE3 3.77Å; I135-W169 HydrophobicContact CB-CH2 4.18Å; I135-W169 HydrophobicContact CB-CZ2 4.47Å; I135-W169 HydrophobicContact CB-CZ3 3.85Å; I135-W169 HydrophobicContact CD1-CD2 4.43Å; I135-W169 HydrophobicContact CD1-CH2 3.89Å; I135-W169 HydrophobicContact CD1-CZ2 3.62Å; I135-W169 HydrophobicContact CD1-CZ3 4.42Å; I135-W169 HydrophobicContact CG2-CD2 4.36Å; I135-W169 HydrophobicContact CG2-CE3 3.62Å; I135-W169 HydrophobicContact CG2-CH2 3.6Å; I135-W169 HydrophobicContact CG2-CZ2 4.35Å; I135-W169 HydrophobicContact CG2-CZ3 3.2Å; I135-W169 CarbonylContact O-C 3.43Å; I135-W169 WeakPolarHBondContact O-CA 3.34Å; I135-I170 PolarHBondContact O-N 3.47Å
136G94.7Very high93.3Very high8 Ų828.8 Ų28.88%0.08215%0.152CC..EExtended strand (participates in β ladder)trans-78.8126.9173.100000110.8V143 D144 I170G136-V143 WeakPolarHBondContact O-CG2 3.2Å; G136-V143 PolarHBondContact O-N 2.79Å; G136-D144 PolarHBondContact N-O 2.71Å; G136-D144 PolarHBondContact O-N 2.79Å; G136-I170 VanDerWaalsContact CA-O 3.28Å; G136-I170 WeakPolarHBondContact CA-O 3.45Å
137Y93.9Very high93.5Very high53 Ų5328 Ų2821%0.20815%0.149CC..EExtended strand (participates in β ladder)trans-124.2146175.173.5-82.1000111.9F67 Q68 Q141 W169 I170 P171 S172F67-Y137 HydrophobicContact CZ-CD2 4.47Å; Q68-Y137 HydrophobicContact CG-CD1 4.43Å; Q68-Y137 HydrophobicContact CG-CD2 4.06Å; Q68-Y137 HydrophobicContact CG-CE1 4.33Å; Q68-Y137 HydrophobicContact CG-CE2 3.95Å; Q68-Y137 HydrophobicContact CG-CG 4.3Å; Q68-Y137 VanDerWaalsContact NE2-CE2 3.32Å; Y137-Q141 VanDerWaalsContact CA-O 3.31Å; Y137-Q141 WeakPolarHBondContact CA-O 3.36Å; Y137-W169 HydrophobicContact CD1-CB 4.18Å; Y137-W169 AromaticContact CD1-CE3 3.96Å; Y137-W169 HydrophobicContact CD1-CE3 3.96Å; Y137-W169 HydrophobicContact CE1-CB 4.12Å; Y137-W169 HydrophobicContact CG-CE3 4.34Å; Y137-I170 VanDerWaalsContact CD1-O 3.3Å; Y137-I170 WeakPolarHBondContact CD1-O 3.27Å; Y137-I170 PolarHBondContact N-O 3.13Å; Y137-P171 HydrophobicContact CE1-CB 4.28Å; Y137-S172 PolarHBondContact O-N 3.04Å
138N93Very high93.6Very high56 Ų5630.5 Ų30.530%0.29917%0.165SC..EExtended strand (participates in β ladder)trans-127.2109.3171.2-171.9-3.5000108.4Q140 Q141 V143 S172 I174N138-Q140 PolarHBondContact O-N 2.84Å; N138-Q141 PolarHBondContact N-O 2.9Å; N138-Q141 PolarHBondContact O-N 2.88Å; N138-V143 HydrophobicContact CB-CG1 3.74Å; N138-V143 HydrophobicContact CB-CG2 4.28Å; N138-S172 WeakPolarHBondContact CB-O 3.26Å; N138-I174 PolarHBondContact ND2-O 2.79Å
139G90.5Very high93.5Very high47 Ų4730.3 Ų30.349%0.48517%0.168SC..THydrogen-bonded Turntrans61.3-119.3-172.100000112.2Q68Q68-G139 PolarHBondContact NE2-O 3.31Å
140Q91.7Very high93.4Very high95 Ų9534.2 Ų34.244%0.44419%0.186SC..THydrogen-bonded Turntrans-9918.4-179.1-68.8178.6-1700113.1Q3 Y4 N138Q3-Q140 HydrophobicContact CB-CB 4.44Å; Y4-Q140 PolarHBondContact N-O 3.42Å; Y4-Q140 WeakPolarHBondContact O-CB 3.49Å; N138-Q140 PolarHBondContact O-N 2.84Å
141Q91.9Very high93.2Very high40 Ų4036 Ų3619%0.18720%0.2CC..EExtended strand (participates in β ladder)trans-131.5145.2-172.9-61-178.1-50.300111.9Y137 N138 F176Y137-Q141 VanDerWaalsContact CA-O 3.31Å; Y137-Q141 WeakPolarHBondContact CA-O 3.36Å; N138-Q141 PolarHBondContact N-O 2.9Å; N138-Q141 PolarHBondContact O-N 2.88Å; Q141-F176 HydrophobicContact CB-CD2 3.68Å; Q141-F176 HydrophobicContact CB-CE2 4.08Å; Q141-F176 HydrophobicContact CG-CD2 4.12Å; Q141-F176 HydrophobicContact CG-CE2 4.39Å; Q141-F176 VanDerWaalsContact OE1-CB 3.26Å
142I92.5Very high93Very high0 Ų038.6 Ų38.60%021%0.213CC..EExtended strand (participates in β ladder)trans-84.7128.5173.8-56.7176.4000108.4Y4 V10 F67 M103 D104 L106 I135 V145 W169 R179Y4-I142 HydrophobicContact CD2-CD1 4.37Å; Y4-I142 HydrophobicContact CD2-CG1 4.29Å; Y4-I142 HydrophobicContact CE2-CD1 4.01Å; Y4-I142 HydrophobicContact CE2-CG1 4.22Å; V10-I142 HydrophobicContact CG1-CD1 3.65Å; V10-I142 HydrophobicContact CG2-CD1 4.17Å; F67-I142 HydrophobicContact CD2-CG1 4.27Å; F67-I142 HydrophobicContact CE2-CG1 4Å; M103-I142 HydrophobicContact CG-CD1 4.31Å; M103-I142 HydrophobicContact SD-CD1 4.4Å; D104-I142 HydrophobicContact CB-CB 4.39Å; D104-I142 HydrophobicContact CB-CD1 4.19Å; L106-I142 HydrophobicContact CD1-CG2 3.98Å; I135-I142 HydrophobicContact CG2-CG1 4.47Å; I135-I142 HydrophobicContact CG2-CG2 3.7Å; I142-V145 HydrophobicContact CG2-CG2 3.96Å; I142-W169 HydrophobicContact CD1-CH2 4Å; I142-W169 HydrophobicContact CD1-CZ3 4.39Å; I142-W169 HydrophobicContact CG1-CH2 4.21Å; I142-W169 HydrophobicContact CG1-CZ3 4.1Å; I142-R179 PolarHBondContact O-NH1 2.88Å
143V92.2Very high92.7Very high2 Ų239.6 Ų39.61%0.01222%0.222CC..EExtended strand (participates in β ladder)trans-120.9-24-175.5-62.50000113.6G136 N138 I174 R179G136-V143 WeakPolarHBondContact O-CG2 3.2Å; G136-V143 PolarHBondContact O-N 2.79Å; N138-V143 HydrophobicContact CB-CG1 3.74Å; N138-V143 HydrophobicContact CB-CG2 4.28Å; V143-I174 HydrophobicContact CG2-CB 4.46Å; V143-R179 HydrophobicContact CB-CB 4.44Å; V143-R179 WeakPolarHBondContact O-CB 3.44Å
144D92.7Very high92.3Very high31 Ų3142.4 Ų42.417%0.16624%0.237CC..EExtended strand (participates in β ladder)trans-146.3149.1175.7-166.720000111.1I135 G136 K182I135-D144 CarbonylContact C-O 3.55Å; I135-D144 WeakPolarHBondContact CA-O 3.47Å; G136-D144 PolarHBondContact N-O 2.71Å; G136-D144 PolarHBondContact O-N 2.79Å; D144-K182 VanDerWaalsContact OD1-CD 3.25Å; D144-K182 WeakPolarHBondContact OD1-CD 3.31Å; D144-K182 IonicContact OD1-NZ 3.49Å; D144-K182 PolarHBondContact OD1-NZ 2.87Å; D144-K182 IonicContact OD2-NZ 2.79Å; D144-K182 PolarHBondContact OD2-NZ 2.85Å
145V93.3Very high91.7Very high4 Ų440.9 Ų40.92%0.02423%0.231CC..EExtended strand (participates in β ladder)trans-139127.1170.5-170.30000109.1M103 L106 I108 Q134 I135 I142M103-V145 HydrophobicContact CB-CG2 4.26Å; M103-V145 HydrophobicContact CG-CG2 4.33Å; M103-V145 HydrophobicContact SD-CG1 4.27Å; M103-V145 HydrophobicContact SD-CG2 3.84Å; L106-V145 HydrophobicContact CB-CG2 4.43Å; L106-V145 HydrophobicContact CD1-CG2 3.92Å; I108-V145 HydrophobicContact CD1-CB 4.17Å; I108-V145 HydrophobicContact CD1-CG1 3.41Å; I108-V145 VanDerWaalsContact CD1-CG1 3.41Å; I108-V145 HydrophobicContact CG1-CB 4.13Å; I108-V145 HydrophobicContact CG1-CG1 3.78Å; Q134-V145 WeakPolarHBondContact O-CA 3.32Å; I135-V145 HydrophobicContact CG1-CG1 4.39Å; I135-V145 HydrophobicContact CG2-CG2 4.31Å; I142-V145 HydrophobicContact CG2-CG2 3.96Å
146N94Very high91.2Very high67 Ų6746.3 Ų46.336%0.35826%0.257SS..EExtended strand (participates in β ladder)trans-119.1139.7172.8-91.6-24.2000109.6F133 Q134 K182F133-N146 WeakPolarHBondContact CA-O 3.45Å; Q134-N146 HydrophobicContact CB-CB 4.09Å; Q134-N146 PolarHBondContact N-O 3.03Å; Q134-N146 PolarHBondContact O-N 3.17Å; N146-K182 VanDerWaalsContact CG-NZ 3.27Å; N146-K182 PolarHBondContact ND2-NZ 3.42Å; N146-K182 PolarHBondContact OD1-NZ 3.12Å
147L94.2Very high90.8Very high27 Ų2747.9 Ų47.914%0.14127%0.269CS..EExtended strand (participates in β ladder)trans-117.4121.5171.817268.3000108.7Y99 M101 I108 K131 H132 F133Y99-L147 HydrophobicContact CE2-CD2 4.12Å; M101-L147 HydrophobicContact CE-CD2 3.56Å; I108-L147 HydrophobicContact CG2-CB 3.4Å; I108-L147 HydrophobicContact CG2-CD2 3.78Å; I108-L147 HydrophobicContact CG2-CG 4.22Å; K131-L147 HydrophobicContact CB-CD1 3.78Å; K131-L147 HydrophobicContact CG-CD1 4.21Å; H132-L147 WeakPolarHBondContact O-CA 3.06Å; F133-L147 HydrophobicContact CD1-CD1 4.02Å; F133-L147 HydrophobicContact CE1-CD1 3.77Å; F133-L147 HydrophobicContact CE2-CD1 4.42Å; F133-L147 HydrophobicContact CG-CD1 4.46Å; F133-L147 HydrophobicContact CZ-CD1 3.98Å
148T94.1Very high90.4Very high53 Ų5353.2 Ų53.233%0.32529%0.293SS..EExtended strand (participates in β ladder)trans-105.2127.416553.80000108.9H132H132-T148 WeakPolarHBondContact CB-OG1 3.44Å; H132-T148 PolarHBondContact N-O 2.94Å; H132-T148 PolarHBondContact O-N 2.86Å
149S92Very high90.1Very high32 Ų3252.5 Ų52.522%0.22429%0.291CS..EExtended strand (participates in β ladder)trans-98.6125.5177.2-60.50000108.7H130H130-S149 WeakPolarHBondContact O-CA 3.32Å
150E91.1Very high90Very high91 Ų9155.2 Ų55.243%0.42530%0.295SS..EExtended strand (participates in β ladder)trans-134.7175.1-173-64.6178.9-167.100111.2T129 H130T129-E150 PolarHBondContact N-O 2.89Å; H130-E150 HydrophobicContact CB-CB 4.09Å; H130-E150 WeakPolarHBondContact CB-O 3.16Å; H130-E150 IonicContact CD2-OE2 2.67Å; H130-E150 PolarHBondContact N-O 3.19Å; H130-E150 PolarHBondContact O-N 2.86Å
151S88.9Confident89.9Confident48 Ų4851 Ų5134%0.33628%0.275SS..EExtended strand (participates in β ladder)trans6078.8176.8-52.80000112.7T129T129-S151 PolarHBondContact N-O 2.93Å; T129-S151 VanDerWaalsContact OG1-CB 3.27Å; T129-S151 WeakPolarHBondContact OG1-CB 3.36Å; T129-S151 PolarHBondContact OG1-O 3.22Å
152L90.2Very high89.9Confident66 Ų6651.9 Ų51.935%0.34629%0.286SS..EExtended strand (participates in β ladder)trans-73.2121.4174-75.5170.3000111E114 V116 K126 I127 F128E114-L152 HydrophobicContact CB-CD2 4.35Å; V116-L152 HydrophobicContact CG2-CD1 4.47Å; K126-L152 HydrophobicContact CB-CB 4.06Å; K126-L152 HydrophobicContact CB-CD2 3.99Å; K126-L152 HydrophobicContact CD-CB 4.23Å; I127-L152 WeakPolarHBondContact O-CA 3.34Å; F128-L152 HydrophobicContact CD1-CD2 3.66Å; F128-L152 HydrophobicContact CD1-CG 3.97Å; F128-L152 HydrophobicContact CD2-CD2 4.18Å; F128-L152 HydrophobicContact CE1-CD1 4.24Å; F128-L152 HydrophobicContact CE1-CD2 3.48Å; F128-L152 VanDerWaalsContact CE1-CD2 3.48Å; F128-L152 HydrophobicContact CE1-CG 3.66Å; F128-L152 HydrophobicContact CE2-CD2 4.01Å; F128-L152 HydrophobicContact CG-CD2 4.01Å; F128-L152 HydrophobicContact CZ-CD2 3.67Å; F128-L152 HydrophobicContact CZ-CG 4.21Å
153V90.3Very high89.9Confident55 Ų5552 Ų5233%0.33329%0.286SS..EExtended strand (participates in β ladder)trans-123.4139.8179.8-1790000109.7K126 I127 T129 V161K126-V153 CarbonylContact C-O 3.43Å; K126-V153 VanDerWaalsContact CA-O 3.22Å; K126-V153 WeakPolarHBondContact CA-O 3.29Å; I127-V153 PolarHBondContact N-O 3.08Å; I127-V153 PolarHBondContact O-N 2.93Å; T129-V153 HydrophobicContact CG2-CB 3.76Å; T129-V153 HydrophobicContact CG2-CG2 3.57Å; V153-V161 HydrophobicContact CG1-CG1 4.4Å
154N87.1Confident89.9Confident59 Ų5952.3 Ų52.332%0.31629%0.288SS..EExtended strand (participates in β ladder)trans-66.4135.7175.3-66.6-1.9000109.9K126 E156K126-N154 VanDerWaalsContact CD-OD1 3.24Å; K126-N154 WeakPolarHBondContact CD-OD1 3.48Å; K126-N154 WeakPolarHBondContact CE-OD1 3.34Å; K126-N154 VanDerWaalsContact CG-OD1 3.31Å; K126-N154 WeakPolarHBondContact CG-OD1 3.36Å; K126-N154 PolarHBondContact NZ-OD1 3.19Å; N154-E156 PolarHBondContact O-N 3.4Å
155V81.9Confident90Very high24 Ų2451.4 Ų51.415%0.14528%0.283CS..  trans-94.497.8174.2-173.30000108.7V81 A86 F89 Y125 I127V81-V155 HydrophobicContact CG1-CG1 3.74Å; A86-V155 HydrophobicContact CB-CG1 3.95Å; F89-V155 HydrophobicContact CB-CB 4.47Å; F89-V155 HydrophobicContact CB-CG1 4.08Å; F89-V155 HydrophobicContact CB-CG2 4.19Å; F89-V155 HydrophobicContact CD2-CG1 3.86Å; F89-V155 HydrophobicContact CD2-CG2 4.41Å; F89-V155 HydrophobicContact CG-CG1 4.39Å; F89-V155 HydrophobicContact CG-CG2 4.46Å; Y125-V155 PolarHBondContact O-N 3.03Å; I127-V155 HydrophobicContact CB-CG2 4.01Å; I127-V155 HydrophobicContact CD1-CG2 3.54Å; I127-V155 HydrophobicContact CG1-CG2 3.47Å; I127-V155 VanDerWaalsContact CG1-CG2 3.47Å; I127-V155 HydrophobicContact CG2-CG2 3.48Å; I127-V155 VanDerWaalsContact CG2-CG2 3.48Å
156E84.7Confident90.1Very high115 Ų11551.6 Ų51.654%0.53729%0.285SS..  trans-107.5144.8174-69.2173.7-162.500109.5N154 T159N154-E156 PolarHBondContact O-N 3.4Å; E156-T159 HydrophobicContact CB-CG2 3.73Å; E156-T159 PolarHBondContact O-N 3.44Å; E156-T159 PolarHBondContact O-OG1 2.69Å
157A86.3Confident90.1Very high41 Ų4148.6 Ų48.634%0.33927%0.269SS..THydrogen-bonded Turntrans-61.3142.6177.200000110.7E83 A86 T159E83-A157 HydrophobicContact CB-CB 4.31Å; A86-A157 HydrophobicContact CB-CB 4.5Å; A157-T159 VanDerWaalsContact C-N 3.29Å; A157-T159 PolarHBondContact O-N 3.31Å
158F85.8Confident90.2Very high164 Ų16450.8 Ų50.872%0.71928%0.278SS*.THydrogen-bonded Turntrans63.629180-46.4-76.5000114.6V81 E83V81-F158 WeakPolarHBondContact O-CA 3.5Å; V81-F158 PolarHBondContact O-N 3.22Å; E83-F158 HydrophobicContact CB-CZ 4.44Å
159T87.5Confident90.3Very high41 Ų4149.1 Ų49.125%0.25227%0.266SS..  trans-106.5149.1173.262.10000112.3V81 E156 A157V81-T159 WeakPolarHBondContact CB-O 3.27Å; V81-T159 PolarHBondContact N-O 3.46Å; E156-T159 HydrophobicContact CB-CG2 3.73Å; E156-T159 PolarHBondContact O-N 3.44Å; E156-T159 PolarHBondContact O-OG1 2.69Å; A157-T159 VanDerWaalsContact C-N 3.29Å; A157-T159 PolarHBondContact O-N 3.31Å
160D88.5Confident90.5Very high104 Ų10450.7 Ų50.756%0.55627%0.271SS*.EExtended strand (participates in β ladder)trans-97.4117.9176.5-69.93.5000109T78 M79 H80T78-D160 HydrophobicContact CG2-CB 4.09Å; M79-D160 WeakPolarHBondContact O-CA 3.43Å; H80-D160 VanDerWaalsContact CE1-CG 3.48Å; H80-D160 IonicContact CE1-OD1 2.75Å; H80-D160 PolarHBondContact CE1-OD1 3.29Å; H80-D160 IonicContact CE1-OD2 3.04Å; H80-D160 PolarHBondContact CE1-OD2 2.99Å; H80-D160 IonicContact CG-OD1 3.68Å; H80-D160 IonicContact ND1-OD1 3.03Å; H80-D160 PolarHBondContact ND1-OD1 3.03Å; H80-D160 IonicContact ND1-OD2 2.64Å; H80-D160 PolarHBondContact ND1-OD2 2.86Å
161V89.1Confident90.6Very high7 Ų750.7 Ų50.74%0.04228%0.279CS..EExtended strand (participates in β ladder)trans-113.9116.7-178.3-176.70000109.4M79 V81 T129 V153 L163M79-V161 HydrophobicContact CE-CB 3.48Å; M79-V161 VanDerWaalsContact CE-CB 3.48Å; M79-V161 HydrophobicContact CE-CG1 3.41Å; M79-V161 VanDerWaalsContact CE-CG1 3.41Å; M79-V161 HydrophobicContact CE-CG2 4.23Å; M79-V161 HydrophobicContact CG-CB 3.89Å; M79-V161 WeakPolarHBondContact CG-O 3.31Å; M79-V161 PolarHBondContact N-O 3.14Å; M79-V161 PolarHBondContact O-N 3.31Å; V81-V161 HydrophobicContact CG2-CG2 3.92Å; T129-V161 HydrophobicContact CG2-CG1 3.43Å; T129-V161 VanDerWaalsContact CG2-CG1 3.43Å; V153-V161 HydrophobicContact CG1-CG1 4.4Å; V161-L163 PolarHBondContact O-N 3.06Å
162S91.2Very high90.8Very high58 Ų5849.5 Ų49.541%0.40627%0.271SS..EExtended strand (participates in β ladder)trans-80.1118.9176.361.60000110.8
163L92.2Very high90.9Very high2 Ų254.6 Ų54.61%0.0129%0.293CS..EExtended strand (participates in β ladder)trans-90.3130.6173.4-60.8175.9000110Y34 V75 Y76 C77 M79 T129 V161Y34-L163 HydrophobicContact CD1-CD1 3.89Å; V75-L163 WeakPolarHBondContact CA-O 3.37Å; Y76-L163 HydrophobicContact CD1-CB 4.27Å; Y76-L163 VanDerWaalsContact CD1-O 3.25Å; Y76-L163 WeakPolarHBondContact CD1-O 3.37Å; Y76-L163 HydrophobicContact CE1-CB 3.52Å; Y76-L163 HydrophobicContact CE2-CB 4.12Å; Y76-L163 HydrophobicContact CE2-CD1 4.34Å; Y76-L163 VanDerWaalsContact CZ-CB 3.43Å; Y76-L163 PolarHBondContact N-O 2.99Å; Y76-L163 VanDerWaalsContact N-O 3.13Å; Y76-L163 WeakPolarHBondContact OH-CB 3.05Å; Y76-L163 WeakPolarHBondContact OH-CD1 3.02Å; C77-L163 PolarHBondContact O-N 3.12Å; M79-L163 HydrophobicContact CE-CD1 4.4Å; M79-L163 HydrophobicContact CE-CD2 3.63Å; M79-L163 HydrophobicContact CE-CG 4.11Å; M79-L163 HydrophobicContact SD-CD1 4.04Å; M79-L163 HydrophobicContact SD-CD2 4.35Å; M79-L163 HydrophobicContact SD-CG 4.3Å; T129-L163 HydrophobicContact CG2-CD2 4.34Å; V161-L163 PolarHBondContact O-N 3.06Å
164T93.7Very high90.9Very high9 Ų955.3 Ų55.36%0.05529%0.294CS..EExtended strand (participates in β ladder)trans-125151.1-175.855.10000111.7K73 T74 V75 T129 H130 K131K73-T164 WeakPolarHBondContact CE-OG1 3.17Å; K73-T164 HydrophobicContact CG-CG2 4.37Å; T74-T164 CarbonylContact O-C 3.51Å; T74-T164 WeakPolarHBondContact O-CA 3.45Å; T74-T164 WeakPolarHBondContact O-CB 3.24Å; V75-T164 HydrophobicContact CB-CG2 4.27Å; V75-T164 HydrophobicContact CG2-CG2 3.61Å; T129-T164 PolarHBondContact O-N 3.41Å; H130-T164 WeakPolarHBondContact CA-O 3.49Å; H130-T164 WeakPolarHBondContact CB-OG1 3.41Å; H130-T164 PolarHBondContact ND1-O 2.81Å; H130-T164 PolarHBondContact ND1-OG1 2.83Å; K131-T164 PolarHBondContact N-O 3.1Å
165Y94.1Very high91Very high13 Ų1355.7 Ų55.75%0.05130%0.3CS..EExtended strand (participates in β ladder)trans-134.3157.2171.580.9-69000110.8L63 P64 K73 T74 Y76 K131 V167L63-Y165 HydrophobicContact CD1-CD2 4.28Å; L63-Y165 HydrophobicContact CD1-CG 4.29Å; L63-Y165 HydrophobicContact CD2-CD1 4.01Å; L63-Y165 HydrophobicContact CD2-CE1 4.19Å; L63-Y165 HydrophobicContact CD2-CG 4.22Å; P64-Y165 WeakPolarHBondContact CD-OH 3.41Å; P64-Y165 WeakPolarHBondContact CG-OH 3.41Å; P64-Y165 PolarHBondContact O-OH 2.7Å; P64-Y165 VanDerWaalsContact O-OH 3.08Å; K73-Y165 WeakPolarHBondContact CA-O 3.46Å; T74-Y165 PolarHBondContact N-O 2.82Å; T74-Y165 PolarHBondContact O-N 2.92Å; T74-Y165 WeakPolarHBondContact OG1-CD1 3.32Å; T74-Y165 WeakPolarHBondContact OG1-CE1 3.27Å; T74-Y165 PolarHBondContact OG1-O 3.44Å; Y76-Y165 AromaticContact CD1-CD1 3.76Å; Y76-Y165 HydrophobicContact CD1-CD1 3.76Å; Y76-Y165 HydrophobicContact CD1-CG 4.4Å; Y76-Y165 HydrophobicContact CG-CD1 4.21Å; K131-Y165 CarbonylContact O-C 3.57Å; K131-Y165 WeakPolarHBondContact O-CA 3.29Å; Y165-V167 HydrophobicContact CD2-CG2 3.83Å; Y165-V167 HydrophobicContact CE2-CG2 3.83Å
166A94.9Very high91.2Very high7 Ų756.3 Ų56.36%0.05830%0.301CS..EExtended strand (participates in β ladder)trans-138.9148.4170.900000108.5K131 H132 F133K131-A166 PolarHBondContact O-N 2.95Å; H132-A166 VanDerWaalsContact ND1-CB 3.35Å; H132-A166 WeakPolarHBondContact ND1-CB 3.44Å; F133-A166 PolarHBondContact N-O 2.86Å
167V95.5Very high91.3Very high5 Ų554.2 Ų54.23%0.0330%0.299CS..EExtended strand (participates in β ladder)trans-130.1124.6179.7-176.60000109I65 N70 S71 F133 I135 Y165I65-V167 HydrophobicContact CD1-CG2 4.3Å; I65-V167 HydrophobicContact CG1-CG2 4.15Å; I65-V167 HydrophobicContact CG2-CG1 4.21Å; I65-V167 HydrophobicContact CG2-CG2 4.43Å; N70-V167 CarbonylContact C-O 3.6Å; N70-V167 WeakPolarHBondContact CA-O 3.47Å; S71-V167 PolarHBondContact N-O 3.24Å; S71-V167 PolarHBondContact O-N 3.47Å; F133-V167 HydrophobicContact CB-CG2 4.41Å; F133-V167 WeakPolarHBondContact O-CA 3.49Å; I135-V167 HydrophobicContact CD1-CG1 3.61Å; I135-V167 HydrophobicContact CG1-CG1 4.43Å; Y165-V167 HydrophobicContact CD2-CG2 3.83Å; Y165-V167 HydrophobicContact CE2-CG2 3.83Å
168E96.1Very high91.3Very high73 Ų7354.1 Ų54.134%0.34130%0.296SS..EExtended strand (participates in β ladder)trans-123.8119.7179-178.3-179.9-16200109.3H132 F133 Q134 I135 I170H132-E168 IonicContact CE1-OE2 2.63Å; H132-E168 IonicContact NE2-OE2 3.87Å; H132-E168 PolarHBondContact NE2-OE2 2.8Å; F133-E168 PolarHBondContact O-N 2.81Å; Q134-E168 CarbonylContact C-O 3.58Å; Q134-E168 WeakPolarHBondContact CA-O 3.42Å; Q134-E168 HydrophobicContact CG-CB 4.38Å; Q134-E168 PolarHBondContact NE2-OE2 3.22Å; I135-E168 PolarHBondContact N-O 2.87Å; E168-I170 HydrophobicContact CG-CG1 4.17Å
169W95.9Very high91.4Very high17 Ų1747.4 Ų47.46%0.06427%0.265CS..EExtended strand (participates in β ladder)trans-93.6127.4176.1-69.290.1000110.6V10 I65 S66 F67 Q68 V69 N70 I135 Y137 I142V10-W169 HydrophobicContact CG2-CH2 4.07Å; V10-W169 HydrophobicContact CG2-CZ2 4.26Å; I65-W169 HydrophobicContact CG2-CZ2 4.16Å; S66-W169 WeakPolarHBondContact O-CZ2 3.37Å; S66-W169 PolarHBondContact O-NE1 3.1Å; S66-W169 VanDerWaalsContact O-NE1 3.1Å; F67-W169 HydrophobicContact CD2-CE3 4.42Å; F67-W169 AromaticContact CD2-CH2 3.49Å; F67-W169 HydrophobicContact CD2-CH2 3.49Å; F67-W169 VanDerWaalsContact CD2-CH2 3.49Å; F67-W169 HydrophobicContact CD2-CZ2 4.31Å; F67-W169 AromaticContact CD2-CZ3 3.53Å; F67-W169 HydrophobicContact CD2-CZ3 3.53Å; F67-W169 HydrophobicContact CE2-CE3 4.48Å; F67-W169 HydrophobicContact CE2-CH2 4.11Å; F67-W169 AromaticContact CE2-CZ3 3.68Å; F67-W169 HydrophobicContact CE2-CZ3 3.68Å; F67-W169 HydrophobicContact CG-CH2 4.36Å; Q68-W169 VanDerWaalsContact N-CE2 3.3Å; V69-W169 VanDerWaalsContact C-CD1 3.47Å; V69-W169 VanDerWaalsContact O-CD1 3.27Å; V69-W169 PolarHBondContact O-NE1 2.78Å; V69-W169 VanDerWaalsContact O-NE1 3.11Å; N70-W169 WeakPolarHBondContact OD1-CB 3.45Å; N70-W169 PolarHBondContact OD1-N 3.07Å; I135-W169 HydrophobicContact CB-CD2 4.08Å; I135-W169 HydrophobicContact CB-CE3 3.77Å; I135-W169 HydrophobicContact CB-CH2 4.18Å; I135-W169 HydrophobicContact CB-CZ2 4.47Å; I135-W169 HydrophobicContact CB-CZ3 3.85Å; I135-W169 HydrophobicContact CD1-CD2 4.43Å; I135-W169 HydrophobicContact CD1-CH2 3.89Å; I135-W169 HydrophobicContact CD1-CZ2 3.62Å; I135-W169 HydrophobicContact CD1-CZ3 4.42Å; I135-W169 HydrophobicContact CG2-CD2 4.36Å; I135-W169 HydrophobicContact CG2-CE3 3.62Å; I135-W169 HydrophobicContact CG2-CH2 3.6Å; I135-W169 HydrophobicContact CG2-CZ2 4.35Å; I135-W169 HydrophobicContact CG2-CZ3 3.2Å; I135-W169 CarbonylContact O-C 3.43Å; I135-W169 WeakPolarHBondContact O-CA 3.34Å; Y137-W169 HydrophobicContact CD1-CB 4.18Å; Y137-W169 AromaticContact CD1-CE3 3.96Å; Y137-W169 HydrophobicContact CD1-CE3 3.96Å; Y137-W169 HydrophobicContact CE1-CB 4.12Å; Y137-W169 HydrophobicContact CG-CE3 4.34Å; I142-W169 HydrophobicContact CD1-CH2 4Å; I142-W169 HydrophobicContact CD1-CZ3 4.39Å; I142-W169 HydrophobicContact CG1-CH2 4.21Å; I142-W169 HydrophobicContact CG1-CZ3 4.1Å
170I95.4Very high91.4Very high66 Ų6645.9 Ų45.934%0.33826%0.255SS..EExtended strand (participates in β ladder)trans-121.5127.1-176.4-54.8174.9000109Q134 I135 G136 Y137 E168 S172Q134-I170 HydrophobicContact CB-CD1 4.13Å; Q134-I170 HydrophobicContact CG-CD1 4.32Å; I135-I170 PolarHBondContact O-N 3.47Å; G136-I170 VanDerWaalsContact CA-O 3.28Å; G136-I170 WeakPolarHBondContact CA-O 3.45Å; Y137-I170 VanDerWaalsContact CD1-O 3.3Å; Y137-I170 WeakPolarHBondContact CD1-O 3.27Å; Y137-I170 PolarHBondContact N-O 3.13Å; E168-I170 HydrophobicContact CG-CG1 4.17Å; I170-S172 PolarHBondContact O-N 3.2Å
171P94.5Very high91.2Very high90 Ų9044.8 Ų44.858%0.58425%0.25SC*.EExtended strand (participates in β ladder)trans-67.9130.1174.328.1-33.4000110.3Y137Y137-P171 HydrophobicContact CE1-CB 4.28Å
172S92.3Very high91Very high24 Ų2449.2 Ų49.217%0.16827%0.268CS..  trans-124.9145.7-179.7177.70000111.2Y137 N138 I170 I174Y137-S172 PolarHBondContact O-N 3.04Å; N138-S172 WeakPolarHBondContact CB-O 3.26Å; I170-S172 PolarHBondContact O-N 3.2Å; S172-I174 WeakPolarHBondContact OG-CG1 3.43Å; S172-I174 PolarHBondContact OG-N 3.35Å
173Q91.4Very high90.7Very high173 Ų17347.8 Ų47.881%0.80825%0.254SS*.  trans-944.1178-60.2-60.9-37.200112.8
174I90.1Very high90.2Very high70 Ų7048.6 Ų48.636%0.35926%0.258SS..  trans-69.9127.4-178.8-61.2168.7000108.8N138 V143 S172N138-I174 PolarHBondContact ND2-O 2.79Å; V143-I174 HydrophobicContact CG2-CB 4.46Å; S172-I174 WeakPolarHBondContact OG-CG1 3.43Å; S172-I174 PolarHBondContact OG-N 3.35Å
175P89.7Confident89.3Confident67 Ų6750.7 Ų50.744%0.43527%0.269SS..  trans-68.2145.6175.228.2-32.6000110.4S177 S178P175-S177 PolarHBondContact O-N 3.39Å; P175-S177 VanDerWaalsContact O-N 3.13Å; P175-S178 PolarHBondContact O-N 3.15Å
176F87.2Confident88.3Confident37 Ų3753 Ų5316%0.16229%0.291CS..G310 helixtrans-55.3-34.8-176.5-177.4-97.3000113.8M1 Q141 S178 R179M1-F176 HydrophobicContact CE-CE1 4.26Å; M1-F176 HydrophobicContact CG-CE1 4.28Å; Q141-F176 HydrophobicContact CB-CD2 3.68Å; Q141-F176 HydrophobicContact CB-CE2 4.08Å; Q141-F176 HydrophobicContact CG-CD2 4.12Å; Q141-F176 HydrophobicContact CG-CE2 4.39Å; Q141-F176 VanDerWaalsContact OE1-CB 3.26Å; F176-S178 VanDerWaalsContact C-N 3.29Å; F176-S178 PolarHBondContact O-N 3.24Å; F176-R179 VanDerWaalsContact CZ-CZ 3.46Å; F176-R179 WeakPolarHBondContact O-CB 3.44Å; F176-R179 WeakPolarHBondContact O-CD 3.28Å; F176-R179 WeakPolarHBondContact O-CG 3.44Å; F176-R179 PolarHBondContact O-N 3.16Å
177S85.6Confident87.3Confident70 Ų7056.7 Ų56.749%0.4932%0.316SS..G310 helixtrans-62.1-33.917753.50000113.3P175 M291P175-S177 PolarHBondContact O-N 3.39Å; P175-S177 VanDerWaalsContact O-N 3.13Å; S177-M291 WeakPolarHBondContact O-CE 3.2Å
178S86.7Confident86.3Confident40 Ų4058.5 Ų58.528%0.2832%0.324SS..G310 helixtrans-92.47.5-177.4-66.30000113.4P175 F176 F180 D181P175-S178 PolarHBondContact O-N 3.15Å; F176-S178 VanDerWaalsContact C-N 3.29Å; F176-S178 PolarHBondContact O-N 3.24Å; S178-F180 PolarHBondContact O-N 2.77Å; S178-F180 VanDerWaalsContact O-N 3.15Å; S178-D181 VanDerWaalsContact CB-OD2 3.23Å; S178-D181 WeakPolarHBondContact CB-OD2 3.49Å; S178-D181 VanDerWaalsContact O-CB 3.32Å; S178-D181 WeakPolarHBondContact O-CB 3.35Å; S178-D181 PolarHBondContact O-N 3.2Å; S178-D181 VanDerWaalsContact O-N 3.07Å; S178-D181 PolarHBondContact OG-OD2 2.99Å
179R88.3Confident85Confident22 Ų2255 Ų558%0.08331%0.308CS..THydrogen-bonded Turntrans-60.4-27-176.673.7-174.7-169.5155.24113.8D104 L106 I142 V143 F176D104-R179 PolarHBondContact O-NH2 2.64Å; D104-R179 VanDerWaalsContact O-NH2 3.16Å; D104-R179 IonicContact OD2-CZ 3.52Å; D104-R179 IonicContact OD2-NH1 3.57Å; D104-R179 PolarHBondContact OD2-NH1 3.48Å; L106-R179 HydrophobicContact CD2-CG 4.1Å; I142-R179 PolarHBondContact O-NH1 2.88Å; V143-R179 HydrophobicContact CB-CB 4.44Å; V143-R179 WeakPolarHBondContact O-CB 3.44Å; F176-R179 VanDerWaalsContact CZ-CZ 3.46Å; F176-R179 WeakPolarHBondContact O-CB 3.44Å; F176-R179 WeakPolarHBondContact O-CD 3.28Å; F176-R179 WeakPolarHBondContact O-CG 3.44Å; F176-R179 PolarHBondContact O-N 3.16Å
180F87.4Confident83.9Confident9 Ų959 Ų594%0.03933%0.327CS..THydrogen-bonded Turntrans-84.2-12.1179.5-79.2-80.7000113.9L106 S178 K182 Y183 L184 Y290 M291L106-F180 HydrophobicContact CD2-CD1 4.45Å; L106-F180 HydrophobicContact CD2-CE1 4.1Å; L106-F180 HydrophobicContact CD2-CE2 4.41Å; L106-F180 HydrophobicContact CD2-CZ 4.08Å; S178-F180 PolarHBondContact O-N 2.77Å; S178-F180 VanDerWaalsContact O-N 3.15Å; F180-K182 PolarHBondContact O-N 3.19Å; F180-K182 VanDerWaalsContact O-N 3.11Å; F180-Y183 AromaticContact CD1-CD2 3.99Å; F180-Y183 HydrophobicContact CD1-CD2 3.99Å; F180-Y183 PolarHBondContact O-N 2.72Å; F180-L184 PolarHBondContact O-N 3.21Å; F180-Y290 HydrophobicContact CB-CE2 4.08Å; F180-M291 HydrophobicContact CD2-CB 4.14Å; F180-M291 HydrophobicContact CD2-CE 4.3Å; F180-M291 HydrophobicContact CD2-CG 3.72Å; F180-M291 HydrophobicContact CD2-SD 4.22Å; F180-M291 HydrophobicContact CE2-CB 3.82Å; F180-M291 HydrophobicContact CE2-CG 3.92Å; F180-M291 HydrophobicContact CE2-SD 4.44Å; F180-M291 HydrophobicContact CG-CG 4.43Å; F180-M291 HydrophobicContact CZ-CB 4.37Å; F180-M291 WeakPolarHBondContact CZ-O 3.19Å
181D85.1Confident83Confident82 Ų8260.1 Ų60.144%0.43933%0.331SS..THydrogen-bonded Turntrans-58.7-30.7-174.6-69.4-9.7000112.4S178 Y183 L184S178-D181 VanDerWaalsContact CB-OD2 3.23Å; S178-D181 WeakPolarHBondContact CB-OD2 3.49Å; S178-D181 VanDerWaalsContact O-CB 3.32Å; S178-D181 WeakPolarHBondContact O-CB 3.35Å; S178-D181 PolarHBondContact O-N 3.2Å; S178-D181 VanDerWaalsContact O-N 3.07Å; S178-D181 PolarHBondContact OG-OD2 2.99Å; D181-Y183 PolarHBondContact O-N 2.94Å; D181-L184 PolarHBondContact O-N 3.24Å
182K84.8Confident82.4Confident100 Ų10066 Ų6644%0.43534%0.341SS..THydrogen-bonded Turntrans-60.3-31.9174.6-179.3179.4174.2-176.20113.5D144 N146 F180D144-K182 VanDerWaalsContact OD1-CD 3.25Å; D144-K182 WeakPolarHBondContact OD1-CD 3.31Å; D144-K182 IonicContact OD1-NZ 3.49Å; D144-K182 PolarHBondContact OD1-NZ 2.87Å; D144-K182 IonicContact OD2-NZ 2.79Å; D144-K182 PolarHBondContact OD2-NZ 2.85Å; N146-K182 VanDerWaalsContact CG-NZ 3.27Å; N146-K182 PolarHBondContact ND2-NZ 3.42Å; N146-K182 PolarHBondContact OD1-NZ 3.12Å; F180-K182 PolarHBondContact O-N 3.19Å; F180-K182 VanDerWaalsContact O-N 3.11Å
183Y83.6Confident81.8Confident27 Ų2767.9 Ų67.911%0.10635%0.349CS..THydrogen-bonded Turntrans-90-15.9179.8-53.7-72.4000112.4L106 P107 W109 F180 D181 D185L106-Y183 HydrophobicContact CD2-CE2 4.02Å; P107-Y183 HydrophobicContact CG-CD1 3.94Å; P107-Y183 HydrophobicContact CG-CD2 4.49Å; P107-Y183 HydrophobicContact CG-CE1 3.83Å; P107-Y183 HydrophobicContact CG-CE2 4.44Å; P107-Y183 HydrophobicContact CG-CG 4.26Å; P107-Y183 WeakPolarHBondContact O-CE1 3.37Å; P107-Y183 PolarHBondContact O-OH 3.18Å; W109-Y183 AromaticContact CH2-CD1 3.55Å; W109-Y183 HydrophobicContact CH2-CD1 3.55Å; W109-Y183 AromaticContact CH2-CE1 3.99Å; W109-Y183 HydrophobicContact CH2-CE1 3.99Å; W109-Y183 AromaticContact CZ3-CD1 3.47Å; W109-Y183 HydrophobicContact CZ3-CD1 3.47Å; W109-Y183 VanDerWaalsContact CZ3-CD1 3.47Å; W109-Y183 AromaticContact CZ3-CE1 3.62Å; W109-Y183 HydrophobicContact CZ3-CE1 3.62Å; F180-Y183 AromaticContact CD1-CD2 3.99Å; F180-Y183 HydrophobicContact CD1-CD2 3.99Å; F180-Y183 PolarHBondContact O-N 2.72Å; D181-Y183 PolarHBondContact O-N 2.94Å; Y183-D185 PolarHBondContact O-N 3.3Å
184L82.5Confident81.3Confident19 Ų1959.7 Ų59.710%0.09931%0.31CS..SBendtrans-80.5100.6173.4-56.9-175.7000107.9F180 D181 A186 Y290 I449 Y451F180-L184 PolarHBondContact O-N 3.21Å; D181-L184 PolarHBondContact O-N 3.24Å; L184-A186 PolarHBondContact O-N 3.31Å; L184-Y290 HydrophobicContact CD1-CE2 4.14Å; L184-Y290 HydrophobicContact CD2-CD2 4.28Å; L184-Y290 HydrophobicContact CD2-CE2 4.44Å; L184-I449 HydrophobicContact CD2-CB 3.92Å; L184-I449 HydrophobicContact CD2-CD1 4.37Å; L184-I449 HydrophobicContact CD2-CG2 3.6Å; L184-Y451 HydrophobicContact CB-CD1 4.18Å; L184-Y451 HydrophobicContact CB-CE1 4.41Å; L184-Y451 HydrophobicContact CD1-CG 4.25Å; L184-Y451 HydrophobicContact CD2-CD1 4.24Å; L184-Y451 HydrophobicContact CD2-CG 4.3Å
185D74.2Confident81.1Confident53 Ų5363.9 Ų63.928%0.28332%0.322SS..  trans-68.174.7179.8-173.21.4000111.5Y183 S187 F188 F189 K448Y183-D185 PolarHBondContact O-N 3.3Å; D185-S187 PolarHBondContact O-N 3.5Å; D185-S187 VanDerWaalsContact O-N 3.16Å; D185-S187 PolarHBondContact OD1-OG 2.82Å; D185-F188 HydrophobicContact CB-CB 4.26Å; D185-F188 VanDerWaalsContact CG-CB 3.5Å; D185-F188 PolarHBondContact O-N 3.09Å; D185-F188 PolarHBondContact OD1-N 3.21Å; D185-F188 VanDerWaalsContact OD2-CB 3.26Å; D185-F188 WeakPolarHBondContact OD2-CB 3.3Å; D185-F189 WeakPolarHBondContact O-CD2 3.28Å; D185-F189 PolarHBondContact O-N 3.01Å; D185-F189 VanDerWaalsContact O-N 3.1Å; D185-K448 WeakPolarHBondContact OD2-CE 3.14Å; D185-K448 IonicContact OD2-NZ 3.39Å; D185-K448 PolarHBondContact OD2-NZ 3.45Å
186A72.5Confident80.9Confident62 Ų6266.7 Ų66.751%0.51233%0.327SS..THydrogen-bonded Turntrans-60.1-26.1-178.300000112L184 F188L184-A186 PolarHBondContact O-N 3.31Å; A186-F188 VanDerWaalsContact C-N 3.29Å; A186-F188 PolarHBondContact O-N 3.39Å
187S74.3Confident80.7Confident84 Ų8465.2 Ų65.259%0.58732%0.322SS*.THydrogen-bonded Turntrans-67.8-30.9177.2840000112.6D185 Q190D185-S187 PolarHBondContact O-N 3.5Å; D185-S187 VanDerWaalsContact O-N 3.16Å; D185-S187 PolarHBondContact OD1-OG 2.82Å; S187-Q190 WeakPolarHBondContact O-CG 3.18Å; S187-Q190 PolarHBondContact O-NE2 3.24Å
188F74.5Confident80.7Confident43 Ų4362.5 Ų62.519%0.18930%0.302CS..THydrogen-bonded Turntrans-88.8-44.1179.1178.9-101.1000112.1D185 A186 Q190 Y438 F439 T442 K448D185-F188 HydrophobicContact CB-CB 4.26Å; D185-F188 VanDerWaalsContact CG-CB 3.5Å; D185-F188 PolarHBondContact O-N 3.09Å; D185-F188 PolarHBondContact OD1-N 3.21Å; D185-F188 VanDerWaalsContact OD2-CB 3.26Å; D185-F188 WeakPolarHBondContact OD2-CB 3.3Å; A186-F188 VanDerWaalsContact C-N 3.29Å; A186-F188 PolarHBondContact O-N 3.39Å; F188-Q190 PolarHBondContact O-N 2.93Å; F188-Y438 HydrophobicContact CZ-CE1 4.34Å; F188-F439 HydrophobicContact CD1-CD1 4.43Å; F188-F439 HydrophobicContact CD1-CE1 4.44Å; F188-F439 AromaticContact CE1-CD1 3.71Å; F188-F439 HydrophobicContact CE1-CD1 3.71Å; F188-F439 AromaticContact CE1-CE1 3.99Å; F188-F439 HydrophobicContact CE1-CE1 3.99Å; F188-F439 HydrophobicContact CZ-CD1 4.07Å; F188-F439 HydrophobicContact CZ-CE1 4.15Å; F188-T442 WeakPolarHBondContact CE1-OG1 3.36Å; F188-T442 HydrophobicContact CZ-CG2 3.98Å; F188-T442 WeakPolarHBondContact CZ-OG1 3.39Å; F188-K448 HydrophobicContact CB-CD 4.38Å; F188-K448 HydrophobicContact CD1-CD 3.51Å; F188-K448 HydrophobicContact CD2-CD 4.37Å; F188-K448 HydrophobicContact CE1-CD 3.77Å; F188-K448 HydrophobicContact CG-CD 3.84Å; F188-K448 HydrophobicContact CZ-CD 4.31Å
189F69.6Low80.8Confident1 Ų166 Ų660%0.00431%0.312CS..SBendtrans-81.850.4175.3-63.9-72.2000111.6D185 H191 H194 F439 S443 K448 I449 Y450 Y451 V452D185-F189 WeakPolarHBondContact O-CD2 3.28Å; D185-F189 PolarHBondContact O-N 3.01Å; D185-F189 VanDerWaalsContact O-N 3.1Å; F189-H191 PolarHBondContact O-N 3.26Å; F189-H194 AromaticContact CD1-NE2 3.92Å; F189-F439 HydrophobicContact CD1-CD1 4.2Å; F189-F439 HydrophobicContact CE1-CD1 4.25Å; F189-S443 WeakPolarHBondContact CZ-OG 3.38Å; F189-K448 HydrophobicContact CE2-CB 4.11Å; F189-K448 HydrophobicContact CZ-CB 4.06Å; F189-I449 WeakPolarHBondContact CE2-O 3.39Å; F189-Y450 AromaticContact CE1-CD2 3.81Å; F189-Y450 HydrophobicContact CE1-CD2 3.81Å; F189-Y450 HydrophobicContact CE1-CE2 4.37Å; F189-Y450 HydrophobicContact CZ-CD2 4.38Å; F189-Y451 HydrophobicContact CB-CE1 3.57Å; F189-Y451 AromaticContact CD2-CD1 3.92Å; F189-Y451 HydrophobicContact CD2-CD1 3.92Å; F189-Y451 AromaticContact CD2-CE1 3.59Å; F189-Y451 HydrophobicContact CD2-CE1 3.59Å; F189-Y451 HydrophobicContact CE2-CD1 4.46Å; F189-Y451 HydrophobicContact CG-CD1 4.31Å; F189-Y451 AromaticContact CG-CE1 3.79Å; F189-Y451 HydrophobicContact CG-CE1 3.79Å; F189-V452 HydrophobicContact CB-CG2 4.02Å; F189-V452 HydrophobicContact CD1-CG2 4.29Å; F189-V452 HydrophobicContact CG-CG2 4.25Å
190Q73.5Confident80.6Confident100 Ų10068 Ų6847%0.46733%0.325SS..  trans-59.3114177.1-67.9-177.16.700109.3S187 F188 R192 I193S187-Q190 WeakPolarHBondContact O-CG 3.18Å; S187-Q190 PolarHBondContact O-NE2 3.24Å; F188-Q190 PolarHBondContact O-N 2.93Å; Q190-R192 PolarHBondContact O-N 3.35Å; Q190-I193 HydrophobicContact CB-CD1 4.24Å; Q190-I193 HydrophobicContact CB-CG1 4.25Å; Q190-I193 PolarHBondContact O-N 2.99Å
191H74.6Confident80.6Confident90 Ų9067.9 Ų67.942%0.41733%0.325SS..Hα-helixtrans-51.1-28.1177.3-66.2-61.9000112.6F189 I193 H194 W195 F455F189-H191 PolarHBondContact O-N 3.26Å; H191-I193 PolarHBondContact O-N 3.47Å; H191-H194 PolarHBondContact O-N 2.93Å; H191-W195 PolarHBondContact O-N 2.8Å; H191-F455 AromaticContact ND1-CE2 3.78Å
192R81.8Confident80.8Confident212 Ų21268.9 Ų68.980%0.833%0.326SS*.Hα-helixtrans-57.7-42.1175.7-67.2-82.9-82.4-96.2-3.1113.2Q190 F196Q190-R192 PolarHBondContact O-N 3.35Å; R192-F196 WeakPolarHBondContact O-CB 3.49Å; R192-F196 PolarHBondContact O-N 3.42Å
193I80.7Confident81Confident65 Ų6568.6 Ų68.633%0.33333%0.327SS..Hα-helixtrans-71.4-41.3-178.4-56.6173.1000109.8Q190 H191 F196 S197 I435 F439Q190-I193 HydrophobicContact CB-CD1 4.24Å; Q190-I193 HydrophobicContact CB-CG1 4.25Å; Q190-I193 PolarHBondContact O-N 2.99Å; H191-I193 PolarHBondContact O-N 3.47Å; I193-F196 PolarHBondContact O-N 2.98Å; I193-S197 WeakPolarHBondContact O-CB 3.4Å; I193-S197 PolarHBondContact O-N 3.31Å; I193-I435 HydrophobicContact CG2-CG2 4.13Å; I193-F439 HydrophobicContact CB-CE2 4.4Å; I193-F439 HydrophobicContact CB-CZ 4.12Å; I193-F439 HydrophobicContact CD1-CZ 4.3Å; I193-F439 HydrophobicContact CG2-CE2 3.72Å; I193-F439 HydrophobicContact CG2-CZ 3.73Å
194H81.2Confident81.1Confident0 Ų070.7 Ų70.70%034%0.339CS..Hα-helixtrans-62.9-43.7175.8-66.2-69.2000112.2F189 H191 F196 S197 L198 E436 F439 F455F189-H194 AromaticContact CD1-NE2 3.92Å; H191-H194 PolarHBondContact O-N 2.93Å; H194-F196 VanDerWaalsContact C-N 3.35Å; H194-F196 PolarHBondContact O-N 3.21Å; H194-S197 WeakPolarHBondContact O-CB 3.06Å; H194-S197 PolarHBondContact O-N 3.49Å; H194-L198 WeakPolarHBondContact O-CB 3.48Å; H194-L198 PolarHBondContact O-N 3.41Å; H194-E436 IonicContact CE1-OE1 3.74Å; H194-E436 IonicContact CE1-OE2 3.56Å; H194-E436 IonicContact CG-OE1 2.78Å; H194-E436 IonicContact ND1-OE1 3.81Å; H194-E436 PolarHBondContact ND1-OE1 3.42Å; H194-E436 IonicContact ND1-OE2 3.99Å; H194-E436 PolarHBondContact ND1-OE2 2.95Å; H194-E436 VanDerWaalsContact ND1-OE2 3.16Å; H194-F439 AromaticContact CE1-CD2 3.48Å; H194-F439 VanDerWaalsContact CE1-CD2 3.48Å; H194-F439 WeakPolarHBondContact CE1-CD2 3.42Å; H194-F439 AromaticContact CE1-CE2 3.76Å; H194-F439 AromaticContact CE1-CG 3.67Å; H194-F439 AromaticContact ND1-CD2 3.96Å; H194-F455 HydrophobicContact CB-CD1 3.57Å; H194-F455 HydrophobicContact CB-CE1 3.57Å; H194-F455 HydrophobicContact CB-CG 4.11Å; H194-F455 HydrophobicContact CB-CZ 4.09Å
195W85.7Confident81.4Confident159 Ų15970.4 Ų70.460%0.60234%0.337SS*.Hα-helixtrans-62.8-39.1174.8-81.8112.3000112.8H191 L198 F199 F455H191-W195 PolarHBondContact O-N 2.8Å; W195-L198 HydrophobicContact CE3-CD2 3.66Å; W195-L198 HydrophobicContact CH2-CD2 4.49Å; W195-L198 HydrophobicContact CZ3-CD2 3.63Å; W195-F199 WeakPolarHBondContact O-CB 3.31Å; W195-F199 PolarHBondContact O-N 2.68Å; W195-F455 AromaticContact CD1-CZ 3.92Å; W195-F455 HydrophobicContact CD2-CE1 4.08Å; W195-F455 HydrophobicContact CD2-CZ 4.45Å; W195-F455 AromaticContact CE2-CE1 3.96Å; W195-F455 AromaticContact CE2-CZ 3.92Å; W195-F455 HydrophobicContact CG-CE1 4.14Å; W195-F455 HydrophobicContact CG-CZ 4.43Å; W195-F455 HydrophobicContact CZ2-CZ 4.44Å; W195-F455 AromaticContact NE1-CE1 3.96Å; W195-F455 AromaticContact NE1-CZ 3.58Å
196F85Confident82.1Confident125 Ų12572.3 Ų72.355%0.54835%0.347SS..Hα-helixtrans-64.8-46.8175.3177.7-102.9000112R192 I193 H194 L198 F199 N200 I435R192-F196 WeakPolarHBondContact O-CB 3.49Å; R192-F196 PolarHBondContact O-N 3.42Å; I193-F196 PolarHBondContact O-N 2.98Å; H194-F196 VanDerWaalsContact C-N 3.35Å; H194-F196 PolarHBondContact O-N 3.21Å; F196-L198 VanDerWaalsContact C-N 3.33Å; F196-L198 PolarHBondContact O-N 3.22Å; F196-F199 PolarHBondContact O-N 3.15Å; F196-N200 WeakPolarHBondContact CD1-ND2 3.39Å; F196-N200 WeakPolarHBondContact CE1-ND2 3.44Å; F196-N200 WeakPolarHBondContact CZ-ND2 3.48Å; F196-N200 PolarHBondContact O-N 2.97Å; F196-N200 VanDerWaalsContact O-N 3.07Å; F196-N200 PolarHBondContact O-ND2 3.2Å; F196-N200 VanDerWaalsContact O-ND2 3.08Å; F196-I435 HydrophobicContact CD1-CD1 4.47Å
197S83.5Confident82.9Confident6 Ų675.6 Ų75.64%0.04235%0.35CS..Hα-helixtrans-55-50.1174.5174.70000111.4I193 H194 F199 N200 A201 I435 E436I193-S197 WeakPolarHBondContact O-CB 3.4Å; I193-S197 PolarHBondContact O-N 3.31Å; H194-S197 WeakPolarHBondContact O-CB 3.06Å; H194-S197 PolarHBondContact O-N 3.49Å; S197-F199 PolarHBondContact O-N 2.85Å; S197-N200 PolarHBondContact O-N 2.78Å; S197-A201 PolarHBondContact O-N 3.02Å; S197-I435 WeakPolarHBondContact OG-CB 3.35Å; S197-E436 PolarHBondContact OG-OE1 3.17Å
198L86.3Confident83.6Confident14 Ų1472 Ų727%0.07332%0.324CS..Hα-helixtrans-61.3-43.5-179.717969.5000112.7H194 W195 F196 A201 F202 L458 L462H194-L198 WeakPolarHBondContact O-CB 3.48Å; H194-L198 PolarHBondContact O-N 3.41Å; W195-L198 HydrophobicContact CE3-CD2 3.66Å; W195-L198 HydrophobicContact CH2-CD2 4.49Å; W195-L198 HydrophobicContact CZ3-CD2 3.63Å; F196-L198 VanDerWaalsContact C-N 3.33Å; F196-L198 PolarHBondContact O-N 3.22Å; L198-A201 PolarHBondContact O-N 3.03Å; L198-F202 VanDerWaalsContact O-CB 3.28Å; L198-F202 WeakPolarHBondContact O-CB 3.21Å; L198-F202 PolarHBondContact O-N 3.45Å; L198-L458 HydrophobicContact CD1-CB 4.42Å; L198-L458 HydrophobicContact CD1-CD2 3.22Å; L198-L458 HydrophobicContact CD1-CG 3.53Å; L198-L458 HydrophobicContact CD2-CD2 3.22Å; L198-L458 HydrophobicContact CD2-CG 4.43Å; L198-L458 HydrophobicContact CG-CD2 3.78Å; L198-L462 HydrophobicContact CD1-CD1 3.27Å; L198-L462 HydrophobicContact CG-CD1 4.46Å
199F87.8Confident84.3Confident113 Ų11373.1 Ų73.150%0.49633%0.334SS..Hα-helixtrans-63.4-42.7178.3-176.7-99.1000111.8W195 F196 S197 F202 M203W195-F199 WeakPolarHBondContact O-CB 3.31Å; W195-F199 PolarHBondContact O-N 2.68Å; F196-F199 PolarHBondContact O-N 3.15Å; S197-F199 PolarHBondContact O-N 2.85Å; F199-F202 PolarHBondContact O-N 3.32Å; F199-M203 HydrophobicContact CD1-CG 4.31Å; F199-M203 HydrophobicContact CE1-CE 3.59Å; F199-M203 HydrophobicContact CE1-CG 4.07Å; F199-M203 HydrophobicContact CE2-CE 3.85Å; F199-M203 HydrophobicContact CZ-CE 3.15Å; F199-M203 HydrophobicContact CZ-CG 4.37Å; F199-M203 WeakPolarHBondContact O-CG 3.16Å; F199-M203 PolarHBondContact O-N 2.87Å
200N84.7Confident85.2Confident65 Ų6574.4 Ų74.435%0.34835%0.347SS..Hα-helixtrans-62.8-44.2174.9-71.4-41.8000111.9F196 S197 F202 M203 M204F196-N200 WeakPolarHBondContact CD1-ND2 3.39Å; F196-N200 WeakPolarHBondContact CE1-ND2 3.44Å; F196-N200 WeakPolarHBondContact CZ-ND2 3.48Å; F196-N200 PolarHBondContact O-N 2.97Å; F196-N200 VanDerWaalsContact O-N 3.07Å; F196-N200 PolarHBondContact O-ND2 3.2Å; F196-N200 VanDerWaalsContact O-ND2 3.08Å; S197-N200 PolarHBondContact O-N 2.78Å; N200-F202 VanDerWaalsContact C-N 3.32Å; N200-F202 PolarHBondContact O-N 2.62Å; N200-M203 PolarHBondContact O-N 3.01Å; N200-M204 WeakPolarHBondContact O-CG 3.33Å; N200-M204 PolarHBondContact O-N 3.14Å; N200-M204 VanDerWaalsContact O-N 3.1Å
201A86.4Confident85.7Confident5 Ų572.3 Ų72.34%0.04134%0.339CS..Hα-helixtrans-62.5-40.1175.900000111.9S197 L198 M204 V205 S432 L462S197-A201 PolarHBondContact O-N 3.02Å; L198-A201 PolarHBondContact O-N 3.03Å; A201-M204 WeakPolarHBondContact O-CB 3.22Å; A201-M204 PolarHBondContact O-N 3.11Å; A201-V205 WeakPolarHBondContact O-CG2 3.12Å; A201-V205 PolarHBondContact O-N 3.46Å; A201-S432 WeakPolarHBondContact CB-O 3.47Å; A201-L462 HydrophobicContact CB-CD1 4.02Å
202F89Confident86.1Confident103 Ų10369.5 Ų69.545%0.45233%0.328SS..Hα-helixtrans-64.4-42.6176.7-177.8-105.7000112.5L198 F199 N200 M204 V205 I206 L462L198-F202 VanDerWaalsContact O-CB 3.28Å; L198-F202 WeakPolarHBondContact O-CB 3.21Å; L198-F202 PolarHBondContact O-N 3.45Å; F199-F202 PolarHBondContact O-N 3.32Å; N200-F202 VanDerWaalsContact C-N 3.32Å; N200-F202 PolarHBondContact O-N 2.62Å; F202-M204 VanDerWaalsContact C-N 3.32Å; F202-M204 PolarHBondContact O-N 3.4Å; F202-V205 WeakPolarHBondContact O-CB 3.18Å; F202-V205 PolarHBondContact O-N 3.22Å; F202-I206 HydrophobicContact CD1-CD1 3.79Å; F202-I206 HydrophobicContact CE1-CD1 3.27Å; F202-I206 HydrophobicContact CE1-CG1 4.18Å; F202-I206 HydrophobicContact CE2-CD1 4.49Å; F202-I206 HydrophobicContact CZ-CD1 3.67Å; F202-I206 HydrophobicContact CZ-CG1 4.23Å; F202-I206 PolarHBondContact O-N 3.47Å; F202-L462 HydrophobicContact CD2-CD2 4.38Å
203M88.9Confident86.3Confident95 Ų9561.7 Ų61.747%0.46831%0.306SS..Hα-helixtrans-59.4-42.5173.7-74.5-67.1-168.300112F199 N200 V205 I206 F207F199-M203 HydrophobicContact CD1-CG 4.31Å; F199-M203 HydrophobicContact CE1-CE 3.59Å; F199-M203 HydrophobicContact CE1-CG 4.07Å; F199-M203 HydrophobicContact CE2-CE 3.85Å; F199-M203 HydrophobicContact CZ-CE 3.15Å; F199-M203 HydrophobicContact CZ-CG 4.37Å; F199-M203 WeakPolarHBondContact O-CG 3.16Å; F199-M203 PolarHBondContact O-N 2.87Å; N200-M203 PolarHBondContact O-N 3.01Å; M203-V205 VanDerWaalsContact C-N 3.34Å; M203-V205 PolarHBondContact O-N 3.49Å; M203-I206 PolarHBondContact O-N 3.49Å; M203-F207 PolarHBondContact O-N 3.32Å
204M86.1Confident86.6Confident71 Ų7163.9 Ų63.935%0.3532%0.318SS..Hα-helixtrans-62.4-40.1174.9-68.8-65.4-7100112.2N200 A201 F202 F207 L208 L428N200-M204 WeakPolarHBondContact O-CG 3.33Å; N200-M204 PolarHBondContact O-N 3.14Å; N200-M204 VanDerWaalsContact O-N 3.1Å; A201-M204 WeakPolarHBondContact O-CB 3.22Å; A201-M204 PolarHBondContact O-N 3.11Å; F202-M204 VanDerWaalsContact C-N 3.32Å; F202-M204 PolarHBondContact O-N 3.4Å; M204-F207 PolarHBondContact O-N 2.98Å; M204-L208 WeakPolarHBondContact O-CB 3.37Å; M204-L208 WeakPolarHBondContact O-CG 3.29Å; M204-L208 PolarHBondContact O-N 3.03Å; M204-L428 HydrophobicContact CE-CD2 3.75Å
205V88.6Confident86.6Confident12 Ų1265.6 Ų65.67%0.07333%0.327CS..Hα-helixtrans-61.5-49.3174.71670000111.3A201 F202 M203 F207 L208 V209 L462 I465 V466A201-V205 WeakPolarHBondContact O-CG2 3.12Å; A201-V205 PolarHBondContact O-N 3.46Å; F202-V205 WeakPolarHBondContact O-CB 3.18Å; F202-V205 PolarHBondContact O-N 3.22Å; M203-V205 VanDerWaalsContact C-N 3.34Å; M203-V205 PolarHBondContact O-N 3.49Å; V205-F207 VanDerWaalsContact C-N 3.28Å; V205-F207 PolarHBondContact O-N 3.28Å; V205-L208 PolarHBondContact O-N 2.84Å; V205-V209 HydrophobicContact CG1-CG2 4.09Å; V205-V209 WeakPolarHBondContact O-CB 3.38Å; V205-V209 VanDerWaalsContact O-CG2 3.31Å; V205-V209 WeakPolarHBondContact O-CG2 3.25Å; V205-V209 PolarHBondContact O-N 2.71Å; V205-L462 HydrophobicContact CG2-CD2 4Å; V205-I465 HydrophobicContact CG1-CB 4.4Å; V205-I465 HydrophobicContact CG1-CG2 3.56Å; V205-I465 HydrophobicContact CG2-CG2 4.37Å; V205-V466 HydrophobicContact CG2-CG2 3.28Å
206I90.4Very high86.2Confident93 Ų9360.8 Ų60.848%0.47731%0.313SS..Hα-helixtrans-57.1-46.3179-71.6172.7000110.3F202 M203 L208 G210F202-I206 HydrophobicContact CD1-CD1 3.79Å; F202-I206 HydrophobicContact CE1-CD1 3.27Å; F202-I206 HydrophobicContact CE1-CG1 4.18Å; F202-I206 HydrophobicContact CE2-CD1 4.49Å; F202-I206 HydrophobicContact CZ-CD1 3.67Å; F202-I206 HydrophobicContact CZ-CG1 4.23Å; F202-I206 PolarHBondContact O-N 3.47Å; M203-I206 PolarHBondContact O-N 3.49Å; I206-L208 PolarHBondContact O-N 3.31Å; I206-G210 PolarHBondContact O-N 3.26Å
207F89.2Confident85.9Confident132 Ų13260 Ų6058%0.57931%0.312SS*.Hα-helixtrans-59.9-46.5178.5176.3-103.4000112.1M203 M204 V205 G210 L211M203-F207 PolarHBondContact O-N 3.32Å; M204-F207 PolarHBondContact O-N 2.98Å; V205-F207 VanDerWaalsContact C-N 3.28Å; V205-F207 PolarHBondContact O-N 3.28Å; F207-G210 PolarHBondContact O-N 2.91Å; F207-L211 HydrophobicContact CE1-CD1 4.46Å; F207-L211 HydrophobicContact CZ-CD1 4.44Å; F207-L211 WeakPolarHBondContact O-CB 3.25Å; F207-L211 PolarHBondContact O-N 3.31Å
208L87.8Confident85.8Confident8 Ų869.3 Ų69.34%0.04235%0.346CS..Hα-helixtrans-70-39.6-178.8-74.3172.4000113.3M204 V205 I206 G210 L211 V212 L428 V466 C469 V470M204-L208 WeakPolarHBondContact O-CB 3.37Å; M204-L208 WeakPolarHBondContact O-CG 3.29Å; M204-L208 PolarHBondContact O-N 3.03Å; V205-L208 PolarHBondContact O-N 2.84Å; I206-L208 PolarHBondContact O-N 3.31Å; L208-G210 VanDerWaalsContact C-N 3.31Å; L208-L211 PolarHBondContact O-N 3.44Å; L208-V212 WeakPolarHBondContact O-CG2 3.39Å; L208-V212 PolarHBondContact O-N 2.85Å; L208-L428 HydrophobicContact CD1-CD1 4.39Å; L208-L428 HydrophobicContact CD2-CD1 3.97Å; L208-V466 HydrophobicContact CD1-CG1 3.78Å; L208-C469 HydrophobicContact CB-CB 3.89Å; L208-V470 HydrophobicContact CD1-CG2 3.82Å; L208-V470 HydrophobicContact CD2-CG2 4.34Å
209V88.6Confident85.1Confident66 Ų6669.1 Ų69.140%0.435%0.346SS..Hα-helixtrans-63.9-41.3172.5173.10000110V205 L211 V212 S213 I465 C469V205-V209 HydrophobicContact CG1-CG2 4.09Å; V205-V209 WeakPolarHBondContact O-CB 3.38Å; V205-V209 VanDerWaalsContact O-CG2 3.31Å; V205-V209 WeakPolarHBondContact O-CG2 3.25Å; V205-V209 PolarHBondContact O-N 2.71Å; V209-L211 VanDerWaalsContact C-N 3.33Å; V209-L211 PolarHBondContact O-N 3.01Å; V209-V212 PolarHBondContact O-N 3.12Å; V209-S213 VanDerWaalsContact O-CB 3.29Å; V209-S213 WeakPolarHBondContact O-CB 3.39Å; V209-S213 PolarHBondContact O-N 2.95Å; V209-S213 PolarHBondContact O-OG 3.49Å; V209-I465 HydrophobicContact CG2-CG2 4.24Å; V209-C469 VanDerWaalsContact CG2-SG 3.55Å
210G89Confident84.3Confident28 Ų2866.7 Ų66.729%0.28934%0.338SS..Hα-helixtrans-56.6-45.2171.400000112.2I206 F207 L208 S213 L214I206-G210 PolarHBondContact O-N 3.26Å; F207-G210 PolarHBondContact O-N 2.91Å; L208-G210 VanDerWaalsContact C-N 3.31Å; G210-S213 WeakPolarHBondContact CA-OG 3.39Å; G210-S213 PolarHBondContact O-OG 2.89Å; G210-L214 WeakPolarHBondContact O-CB 3.39Å; G210-L214 WeakPolarHBondContact O-CG 3.47Å; G210-L214 PolarHBondContact O-N 3.3Å
211L84.5Confident83.9Confident57 Ų5772.7 Ų72.730%0.29836%0.355SS..Hα-helixtrans-67.2-44.8177.8-175.7146000112.6F207 L208 V209 L214 I215 V473F207-L211 HydrophobicContact CE1-CD1 4.46Å; F207-L211 HydrophobicContact CZ-CD1 4.44Å; F207-L211 WeakPolarHBondContact O-CB 3.25Å; F207-L211 PolarHBondContact O-N 3.31Å; L208-L211 PolarHBondContact O-N 3.44Å; V209-L211 VanDerWaalsContact C-N 3.33Å; V209-L211 PolarHBondContact O-N 3.01Å; L211-L214 PolarHBondContact O-N 3.32Å; L211-I215 HydrophobicContact CD2-CD1 3.52Å; L211-I215 HydrophobicContact CD2-CG1 4.41Å; L211-I215 HydrophobicContact CG-CD1 4.35Å; L211-I215 VanDerWaalsContact O-CG1 3.32Å; L211-I215 WeakPolarHBondContact O-CG1 3.39Å; L211-I215 PolarHBondContact O-N 3.21Å; L211-V473 HydrophobicContact CD2-CB 4.43Å; L211-V473 HydrophobicContact CD2-CG1 4.08Å; L211-V473 HydrophobicContact CD2-CG2 3.42Å; L211-V473 VanDerWaalsContact CD2-CG2 3.42Å
212V83.7Confident83.1Confident30 Ų3080 Ų8018%0.18239%0.386CS..Hα-helixtrans-63.2-44.1176.7171.20000111.1L208 V209 I215 L216 C469 V473L208-V212 WeakPolarHBondContact O-CG2 3.39Å; L208-V212 PolarHBondContact O-N 2.85Å; V209-V212 PolarHBondContact O-N 3.12Å; V212-I215 PolarHBondContact O-N 2.93Å; V212-L216 WeakPolarHBondContact O-CB 3.38Å; V212-L216 PolarHBondContact O-N 3.29Å; V212-C469 HydrophobicContact CG2-CB 4.02Å; V212-V473 HydrophobicContact CG2-CG2 3.55Å
213S84.8Confident81.8Confident49 Ų4976 Ų7634%0.34337%0.37SS..Hα-helixtrans-65.1-39.3177.262.50000111.8V209 G210 L216 M217V209-S213 VanDerWaalsContact O-CB 3.29Å; V209-S213 WeakPolarHBondContact O-CB 3.39Å; V209-S213 PolarHBondContact O-N 2.95Å; V209-S213 PolarHBondContact O-OG 3.49Å; G210-S213 WeakPolarHBondContact CA-OG 3.39Å; G210-S213 PolarHBondContact O-OG 2.89Å; S213-L216 PolarHBondContact O-N 3.29Å; S213-M217 VanDerWaalsContact O-CB 3.27Å; S213-M217 WeakPolarHBondContact O-CB 3.44Å; S213-M217 VanDerWaalsContact O-CG 3.27Å; S213-M217 WeakPolarHBondContact O-CG 3.27Å; S213-M217 PolarHBondContact O-N 2.81Å
214L86.7Confident80.8Confident111 Ų11179.6 Ų79.658%0.58138%0.379SS*.Hα-helixtrans-61.9-44.2171.6-86.8168000112.3G210 L211 M217 R218G210-L214 WeakPolarHBondContact O-CB 3.39Å; G210-L214 WeakPolarHBondContact O-CG 3.47Å; G210-L214 PolarHBondContact O-N 3.3Å; L211-L214 PolarHBondContact O-N 3.32Å; L214-M217 HydrophobicContact CD2-CE 4.22Å; L214-M217 PolarHBondContact O-N 3.46Å; L214-R218 WeakPolarHBondContact O-CB 3.44Å; L214-R218 PolarHBondContact O-N 3.42Å
215I81.3Confident79.9Confident36 Ų3679.2 Ų79.219%0.18539%0.388CS..Hα-helixtrans-61.2-48.5175.9-71.5170.6000110L211 V212 R218 T219 V473 Y476L211-I215 HydrophobicContact CD2-CD1 3.52Å; L211-I215 HydrophobicContact CD2-CG1 4.41Å; L211-I215 HydrophobicContact CG-CD1 4.35Å; L211-I215 VanDerWaalsContact O-CG1 3.32Å; L211-I215 WeakPolarHBondContact O-CG1 3.39Å; L211-I215 PolarHBondContact O-N 3.21Å; V212-I215 PolarHBondContact O-N 2.93Å; I215-R218 PolarHBondContact O-N 3.5Å; I215-T219 WeakPolarHBondContact O-CB 3.39Å; I215-T219 PolarHBondContact O-N 3.49Å; I215-T219 PolarHBondContact O-OG1 3.41Å; I215-V473 HydrophobicContact CD1-CG1 4.26Å; I215-V473 HydrophobicContact CD1-CG2 4.21Å; I215-Y476 HydrophobicContact CD1-CD1 4.48Å; I215-Y476 HydrophobicContact CG2-CD1 3.5Å; I215-Y476 HydrophobicContact CG2-CD2 4.24Å; I215-Y476 HydrophobicContact CG2-CE1 3.49Å; I215-Y476 VanDerWaalsContact CG2-CE1 3.49Å; I215-Y476 HydrophobicContact CG2-CE2 4.24Å; I215-Y476 HydrophobicContact CG2-CG 3.89Å
216L78.2Confident78.8Confident58 Ų5882.9 Ų82.930%0.30440%0.4SS..Hα-helixtrans-62.5-47.4179.5-175.165.7000111.1V212 S213 R218 T219 L220 F550 I554V212-L216 WeakPolarHBondContact O-CB 3.38Å; V212-L216 PolarHBondContact O-N 3.29Å; S213-L216 PolarHBondContact O-N 3.29Å; L216-R218 PolarHBondContact O-N 3.3Å; L216-T219 PolarHBondContact O-N 3.09Å; L216-L220 HydrophobicContact CD1-CD1 4.08Å; L216-L220 HydrophobicContact CD1-CG 4.28Å; L216-L220 HydrophobicContact CG-CD1 3.9Å; L216-L220 HydrophobicContact CG-CG 4.44Å; L216-L220 WeakPolarHBondContact O-CB 3.29Å; L216-L220 VanDerWaalsContact O-CG 3.24Å; L216-L220 WeakPolarHBondContact O-CG 3.36Å; L216-L220 PolarHBondContact O-N 2.84Å; L216-F550 HydrophobicContact CD1-CE2 4.42Å; L216-I554 HydrophobicContact CD1-CG2 4.39Å
217M79.5Confident77.4Confident109 Ų10982.6 Ų82.654%0.53739%0.394SS..Hα-helixtrans-60.9-43.2176.3-77.7-163.8-71.500112.1S213 L214 R221S213-M217 VanDerWaalsContact O-CB 3.27Å; S213-M217 WeakPolarHBondContact O-CB 3.44Å; S213-M217 VanDerWaalsContact O-CG 3.27Å; S213-M217 WeakPolarHBondContact O-CG 3.27Å; S213-M217 PolarHBondContact O-N 2.81Å; L214-M217 HydrophobicContact CD2-CE 4.22Å; L214-M217 PolarHBondContact O-N 3.46Å; M217-R221 WeakPolarHBondContact O-CB 3.4Å; M217-R221 PolarHBondContact O-N 3.18Å
218R80.8Confident76.2Confident200 Ų20082.9 Ų82.976%0.75540%0.397SS*.Hα-helixtrans-65.3-42.4178.6-175.5177.9-178.6179.11111.2L214 I215 L216 K222L214-R218 WeakPolarHBondContact O-CB 3.44Å; L214-R218 PolarHBondContact O-N 3.42Å; I215-R218 PolarHBondContact O-N 3.5Å; L216-R218 PolarHBondContact O-N 3.3Å; R218-K222 WeakPolarHBondContact O-CB 3.47Å; R218-K222 PolarHBondContact O-N 3.01Å
219T70.5Confident75Confident11 Ų1188.3 Ų88.37%0.06742%0.42CS..Hα-helixtrans-64.4-50.9178.3-50.80000109.9I215 L216 R221 K222 D223 W246 Y476I215-T219 WeakPolarHBondContact O-CB 3.39Å; I215-T219 PolarHBondContact O-N 3.49Å; I215-T219 PolarHBondContact O-OG1 3.41Å; L216-T219 PolarHBondContact O-N 3.09Å; T219-R221 PolarHBondContact O-N 2.86Å; T219-K222 PolarHBondContact O-N 2.83Å; T219-D223 WeakPolarHBondContact O-CB 3.45Å; T219-D223 PolarHBondContact O-N 3.47Å; T219-W246 HydrophobicContact CG2-CZ2 3.56Å; T219-Y476 HydrophobicContact CG2-CE2 4.35Å; T219-Y476 PolarHBondContact OG1-OH 3.24Å
220L71.5Confident73.7Confident61 Ų6187.6 Ų87.632%0.31941%0.414SS..Hα-helixtrans-63.3-43.7178.7-67.8174.3000112.5L216 D223 Y224L216-L220 HydrophobicContact CD1-CD1 4.08Å; L216-L220 HydrophobicContact CD1-CG 4.28Å; L216-L220 HydrophobicContact CG-CD1 3.9Å; L216-L220 HydrophobicContact CG-CG 4.44Å; L216-L220 WeakPolarHBondContact O-CB 3.29Å; L216-L220 VanDerWaalsContact O-CG 3.24Å; L216-L220 WeakPolarHBondContact O-CG 3.36Å; L216-L220 PolarHBondContact O-N 2.84Å; L220-D223 WeakPolarHBondContact O-CB 3.27Å; L220-D223 PolarHBondContact O-N 3.42Å; L220-Y224 WeakPolarHBondContact O-CD2 3.36Å; L220-Y224 PolarHBondContact O-N 3.31Å
221R77Confident72.3Confident192 Ų19297.2 Ų97.273%0.72544%0.441SS*.Hα-helixtrans-66.8-43179.8-174.7-175.2-72.8-163.7-2.3112M217 T219 D223 Y224 A225M217-R221 WeakPolarHBondContact O-CB 3.4Å; M217-R221 PolarHBondContact O-N 3.18Å; T219-R221 PolarHBondContact O-N 2.86Å; R221-D223 PolarHBondContact O-N 2.85Å; R221-Y224 PolarHBondContact O-N 3.03Å; R221-A225 WeakPolarHBondContact O-CB 3.22Å; R221-A225 PolarHBondContact O-N 3.42Å
222K68.1Low71.2Confident157 Ų157101.7 Ų101.768%0.68346%0.461SS*.Hα-helixtrans-61.8-35.6176.2-172179.3177.9-173.90110.7R218 T219 R226R218-K222 WeakPolarHBondContact O-CB 3.47Å; R218-K222 PolarHBondContact O-N 3.01Å; T219-K222 PolarHBondContact O-N 2.83Å; K222-R226 WeakPolarHBondContact O-CB 3.43Å; K222-R226 PolarHBondContact O-N 3.49Å; K222-R226 VanDerWaalsContact O-N 3.14Å
223D63.5Low69.9Low20 Ų20103 Ų10311%0.10747%0.466CS..Hα-helixtrans-68.3-49.8175.4-70.3-10.6000111.9T219 L220 R221 A225 R226 Y227 K247T219-D223 WeakPolarHBondContact O-CB 3.45Å; T219-D223 PolarHBondContact O-N 3.47Å; L220-D223 WeakPolarHBondContact O-CB 3.27Å; L220-D223 PolarHBondContact O-N 3.42Å; R221-D223 PolarHBondContact O-N 2.85Å; D223-A225 PolarHBondContact O-N 3.13Å; D223-R226 PolarHBondContact O-N 3.33Å; D223-Y227 HydrophobicContact CB-CE2 4.29Å; D223-Y227 WeakPolarHBondContact O-CD2 3.32Å; D223-Y227 PolarHBondContact O-N 2.89Å; D223-K247 VanDerWaalsContact OD1-CE 3.26Å; D223-K247 WeakPolarHBondContact OD1-CE 3.25Å; D223-K247 IonicContact OD1-NZ 3.82Å; D223-K247 PolarHBondContact OD1-NZ 2.74Å; D223-K247 WeakPolarHBondContact OD2-CE 3.32Å; D223-K247 IonicContact OD2-NZ 3.87Å; D223-K247 PolarHBondContact OD2-NZ 3.33Å
224Y66.9Low68.6Low170 Ų170107.3 Ų107.367%0.66749%0.486SS*.Hα-helixtrans-57.1-48175.9-83.5-68.5000112.7L220 R221 R226 Y227 E228L220-Y224 WeakPolarHBondContact O-CD2 3.36Å; L220-Y224 PolarHBondContact O-N 3.31Å; R221-Y224 PolarHBondContact O-N 3.03Å; Y224-R226 VanDerWaalsContact C-N 3.27Å; Y224-R226 PolarHBondContact O-N 3.41Å; Y224-Y227 PolarHBondContact O-N 3.45Å; Y224-E228 PolarHBondContact O-N 3.16Å
225A67.9Low67.3Low64 Ų64109.7 Ų109.753%0.52949%0.494SS..Hα-helixtrans-64.2-32.2-179.900000112.7R221 D223 K229R221-A225 WeakPolarHBondContact O-CB 3.22Å; R221-A225 PolarHBondContact O-N 3.42Å; D223-A225 PolarHBondContact O-N 3.13Å; A225-K229 PolarHBondContact O-N 3.46Å
226R64Low66Low88 Ų88115 Ų11533%0.33252%0.522SS..Hα-helixtrans-71.9-41174.4-174.4177.2174.7176.6-0.2111.6K222 D223 Y224 E228 K229 D230 G241K222-R226 WeakPolarHBondContact O-CB 3.43Å; K222-R226 PolarHBondContact O-N 3.49Å; K222-R226 VanDerWaalsContact O-N 3.14Å; D223-R226 PolarHBondContact O-N 3.33Å; Y224-R226 VanDerWaalsContact C-N 3.27Å; Y224-R226 PolarHBondContact O-N 3.41Å; R226-E228 VanDerWaalsContact C-N 3.33Å; R226-E228 PolarHBondContact O-N 2.95Å; R226-K229 CarbonylContact O-C 3.6Å; R226-K229 WeakPolarHBondContact O-CB 3.38Å; R226-K229 PolarHBondContact O-N 3.25Å; R226-K229 VanDerWaalsContact O-N 3.17Å; R226-D230 IonicContact NE-OD2 3.77Å; R226-D230 PolarHBondContact O-N 2.9Å; R226-G241 PolarHBondContact NH2-O 3.43Å
227Y61.2Low64.9Low88 Ų88118 Ų11835%0.34554%0.535SS..Hα-helixtrans-64.5-35.4176.3-74-62.9000113.4D223 Y224 K229 D230 R231D223-Y227 HydrophobicContact CB-CE2 4.29Å; D223-Y227 WeakPolarHBondContact O-CD2 3.32Å; D223-Y227 PolarHBondContact O-N 2.89Å; Y224-Y227 PolarHBondContact O-N 3.45Å; Y227-K229 VanDerWaalsContact C-N 3.28Å; Y227-D230 PolarHBondContact O-N 3.35Å; Y227-R231 WeakPolarHBondContact O-CG 3.47Å; Y227-R231 PolarHBondContact O-N 3.38Å
228E64.5Low63.6Low137 Ų137121.1 Ų121.164%0.6454%0.54SS*.Hα-helixtrans-58-46.7172.4-159.2101.6-151.100109.8Y224 R226 R231Y224-E228 PolarHBondContact O-N 3.16Å; R226-E228 VanDerWaalsContact C-N 3.33Å; R226-E228 PolarHBondContact O-N 2.95Å; E228-R231 PolarHBondContact O-N 3.47Å
229K63.4Low62.2Low122 Ų122118.6 Ų118.653%0.5354%0.542SS..Hα-helixtrans-68-41.7178.3-172.9173.3-179-174.50113A225 R226 Y227 R231 E232 L233A225-K229 PolarHBondContact O-N 3.46Å; R226-K229 CarbonylContact O-C 3.6Å; R226-K229 WeakPolarHBondContact O-CB 3.38Å; R226-K229 PolarHBondContact O-N 3.25Å; R226-K229 VanDerWaalsContact O-N 3.17Å; Y227-K229 VanDerWaalsContact C-N 3.28Å; K229-R231 PolarHBondContact O-N 3.35Å; K229-E232 WeakPolarHBondContact O-CB 3.15Å; K229-E232 PolarHBondContact O-N 2.97Å; K229-L233 HydrophobicContact CG-CD1 3.73Å; K229-L233 WeakPolarHBondContact O-CD1 3.23Å; K229-L233 PolarHBondContact O-N 3.15Å; K229-L233 VanDerWaalsContact O-N 3.16Å
230D61.6Low61.1Low51 Ų51126.4 Ų126.427%0.27358%0.575SS.*Hα-helixtrans-68.6-16.2179.1-71.5-9000112.8R226 Y227R226-D230 IonicContact NE-OD2 3.77Å; R226-D230 PolarHBondContact O-N 2.9Å; Y227-D230 PolarHBondContact O-N 3.35Å
231R57.9Low60.1Low230 Ų230124.9 Ų124.987%0.86857%0.574SS**THydrogen-bonded Turntrans-79.6-21.1168.3-71.9-178.695.6-173.25.7113Y227 E228 K229Y227-R231 WeakPolarHBondContact O-CG 3.47Å; Y227-R231 PolarHBondContact O-N 3.38Å; E228-R231 PolarHBondContact O-N 3.47Å; K229-R231 PolarHBondContact O-N 3.35Å
232E62.1Low58.8Low152 Ų152119.9 Ų119.971%0.7156%0.562SS**THydrogen-bonded Turntrans-92.6-20.9-179.4-65.8178.8164.900112.9K229K229-E232 WeakPolarHBondContact O-CB 3.15Å; K229-E232 PolarHBondContact O-N 2.97Å
233L56.4Low58.3Low56 Ų56115.8 Ų115.829%0.29355%0.545SS..SBendtrans-88.2138.4-179.2-93.568.1000112.5K229 E237K229-L233 HydrophobicContact CG-CD1 3.73Å; K229-L233 WeakPolarHBondContact O-CD1 3.23Å; K229-L233 PolarHBondContact O-N 3.15Å; K229-L233 VanDerWaalsContact O-N 3.16Å; L233-E237 HydrophobicContact CD2-CB 3.92Å; L233-E237 WeakPolarHBondContact CD2-OE2 3.2Å; L233-E237 WeakPolarHBondContact CG-OE2 3.24Å
234D57.2Low58.4Low140 Ų140123.2 Ų123.275%0.74957%0.573SS**  trans-63154176.8-78-31.5000112.7L236 E237D234-L236 PolarHBondContact O-N 3.07Å; D234-E237 PolarHBondContact O-N 3.11Å
235E58.9Low58.9Low162 Ų162115.5 Ų115.576%0.75755%0.545SS*.THydrogen-bonded Turntrans-51-26.5-173.1-67-178.4162.500114.9R238E235-R238 VanDerWaalsContact O-CB 3.24Å; E235-R238 WeakPolarHBondContact O-CB 3.31Å; E235-R238 PolarHBondContact O-N 3.39Å
236L53.9Low59.6Low146 Ų146113 Ų11376%0.76452%0.522SS*.THydrogen-bonded Turntrans-76.1-29.3-178.5-160.579.5000113.8D234 R238D234-L236 PolarHBondContact O-N 3.07Å; L236-R238 VanDerWaalsContact C-N 3.29Å
237E54.9Low60.5Low123 Ų123109.7 Ų109.758%0.57551%0.51SS*.THydrogen-bonded Turntrans-81.8-12.2175.7-74.4-170.9150.200112.4L233 D234 D239 F240L233-E237 HydrophobicContact CD2-CB 3.92Å; L233-E237 WeakPolarHBondContact CD2-OE2 3.2Å; L233-E237 WeakPolarHBondContact CG-OE2 3.24Å; D234-E237 PolarHBondContact O-N 3.11Å; E237-D239 VanDerWaalsContact C-N 3.32Å; E237-D239 PolarHBondContact O-N 3.01Å; E237-F240 PolarHBondContact O-N 3.22Å
238R53.6Low61.6Low173 Ų173107.6 Ų107.665%0.65350%0.504SS*.THydrogen-bonded Turntrans-64.4-33.5179.3-135.3174.6-174178.80.2112.9E235 L236E235-R238 VanDerWaalsContact O-CB 3.24Å; E235-R238 WeakPolarHBondContact O-CB 3.31Å; E235-R238 PolarHBondContact O-N 3.39Å; L236-R238 VanDerWaalsContact C-N 3.29Å
239D51Low62.7Low147 Ų147101.1 Ų101.179%0.78647%0.473SS*.THydrogen-bonded Turntrans-80.1-22.9-178.4-84.1-9.4000114E237E237-D239 VanDerWaalsContact C-N 3.32Å; E237-D239 PolarHBondContact O-N 3.01Å
240F46.5Very low63.7Low176 Ų17697.6 Ų97.677%0.77246%0.458SS*.THydrogen-bonded Turntrans-94.1-4.1-177.7-74.6-74.3000114.2E237 D242E237-F240 PolarHBondContact O-N 3.22Å; F240-D242 PolarHBondContact O-N 2.86Å
241G50.8Low65Low29 Ų2995.2 Ų95.230%0.29945%0.446SS..  trans-75.257175.200000112.3R226 E243R226-G241 PolarHBondContact NH2-O 3.43Å; G241-E243 PolarHBondContact O-N 2.94Å
242D50.9Low66.5Low87 Ų8784.5 Ų84.547%0.46541%0.406SS..  trans-35.7111.9173.6-81.7-28.4000109.8F240 Y244F240-D242 PolarHBondContact O-N 2.86Å; D242-Y244 VanDerWaalsContact C-N 3.3Å; D242-Y244 HydrophobicContact CB-CD2 3.96Å; D242-Y244 HydrophobicContact CB-CE1 4.45Å; D242-Y244 HydrophobicContact CB-CE2 3.36Å; D242-Y244 WeakPolarHBondContact O-CD2 3.39Å; D242-Y244 PolarHBondContact O-N 3.49Å; D242-Y244 PolarHBondContact OD2-OH 3Å; D242-Y244 VanDerWaalsContact OD2-OH 3.04Å
243E57Low67.9Low71 Ų7177.3 Ų77.333%0.33237%0.373SS..  trans-66.186.5177.9-65.7-169.6143.500108.3G241 K247 Q248G241-E243 PolarHBondContact O-N 2.94Å; E243-K247 HydrophobicContact CB-CB 4.16Å; E243-Q248 HydrophobicContact CB-CG 4.34Å; E243-Q248 WeakPolarHBondContact O-CG 3.5Å; E243-Q248 PolarHBondContact O-NE2 3.13Å
244Y65.3Low69.6Low175 Ų17575.1 Ų75.169%0.68636%0.361SS*.THydrogen-bonded Turntrans-69141.2-176.2-71.9-87.1000113.1D242D242-Y244 VanDerWaalsContact C-N 3.3Å; D242-Y244 HydrophobicContact CB-CD2 3.96Å; D242-Y244 HydrophobicContact CB-CE1 4.45Å; D242-Y244 HydrophobicContact CB-CE2 3.36Å; D242-Y244 WeakPolarHBondContact O-CD2 3.39Å; D242-Y244 PolarHBondContact O-N 3.49Å; D242-Y244 PolarHBondContact OD2-OH 3Å; D242-Y244 VanDerWaalsContact OD2-OH 3.04Å
245G77.5Confident71.3Confident9 Ų971.8 Ų71.89%0.09334%0.338CS..THydrogen-bonded Turntrans88.1-135.8167.500000115K247 Q248G245-K247 PolarHBondContact O-N 2.83Å; G245-K247 VanDerWaalsContact O-N 3.1Å; G245-Q248 PolarHBondContact O-N 3.38Å
246W83.1Confident72.9Confident12 Ų1267.1 Ų67.15%0.04532%0.321CS..G310 helixtrans-59.3-27.5-169.767.1-85.2000114.7T219 Q248 I249 L479 N480 I554 Y555 V558T219-W246 HydrophobicContact CG2-CZ2 3.56Å; W246-Q248 PolarHBondContact O-N 2.97Å; W246-I249 WeakPolarHBondContact O-CG1 3.45Å; W246-I249 PolarHBondContact O-N 2.84Å; W246-L479 WeakPolarHBondContact CA-O 3.3Å; W246-L479 HydrophobicContact CB-CB 3.65Å; W246-L479 WeakPolarHBondContact CB-O 3.21Å; W246-L479 PolarHBondContact N-O 3.04Å; W246-N480 VanDerWaalsContact CD1-OD1 3.25Å; W246-I554 HydrophobicContact CD2-CD1 4.5Å; W246-I554 HydrophobicContact CE3-CD1 3.93Å; W246-I554 HydrophobicContact CE3-CG1 4.34Å; W246-I554 HydrophobicContact CH2-CB 4Å; W246-I554 HydrophobicContact CH2-CG1 4.47Å; W246-I554 HydrophobicContact CZ3-CB 3.96Å; W246-I554 HydrophobicContact CZ3-CD1 4.01Å; W246-I554 HydrophobicContact CZ3-CG1 3.93Å; W246-Y555 AromaticContact CE3-CE1 3.85Å; W246-Y555 HydrophobicContact CE3-CE1 3.85Å; W246-Y555 HydrophobicContact CE3-CE2 4.12Å; W246-Y555 AromaticContact CE3-CZ 3.64Å; W246-Y555 HydrophobicContact CZ3-CD1 4.16Å; W246-Y555 AromaticContact CZ3-CE1 3.95Å; W246-Y555 HydrophobicContact CZ3-CE1 3.95Å; W246-Y555 HydrophobicContact CZ3-CE2 4.35Å; W246-Y555 HydrophobicContact CZ3-CG 4.46Å; W246-Y555 PolarHBondContact O-OH 3.46Å; W246-V558 HydrophobicContact CH2-CG2 3.71Å; W246-V558 HydrophobicContact CZ3-CG2 3.84Å
247K82.7Confident74.8Confident18 Ų1860.9 Ų60.98%0.07829%0.29CS..G310 helixtrans-66.8-34.3-178.6-65.8-172.2-177.7-175.10113.3D223 E243 G245 I249 H250D223-K247 VanDerWaalsContact OD1-CE 3.26Å; D223-K247 WeakPolarHBondContact OD1-CE 3.25Å; D223-K247 IonicContact OD1-NZ 3.82Å; D223-K247 PolarHBondContact OD1-NZ 2.74Å; D223-K247 WeakPolarHBondContact OD2-CE 3.32Å; D223-K247 IonicContact OD2-NZ 3.87Å; D223-K247 PolarHBondContact OD2-NZ 3.33Å; E243-K247 HydrophobicContact CB-CB 4.16Å; G245-K247 PolarHBondContact O-N 2.83Å; G245-K247 VanDerWaalsContact O-N 3.1Å; K247-I249 PolarHBondContact O-N 3.13Å; K247-H250 WeakPolarHBondContact O-CB 3.46Å; K247-H250 PolarHBondContact O-CD2 3.04Å; K247-H250 PolarHBondContact O-N 2.87Å
248Q83.6Confident76.5Confident44 Ų4458.2 Ų58.221%0.20629%0.289CS..G310 helixtrans-60.3-26-178.6-57.5-163.8-12.400114E243 G245 W246 H250 E482E243-Q248 HydrophobicContact CB-CG 4.34Å; E243-Q248 WeakPolarHBondContact O-CG 3.5Å; E243-Q248 PolarHBondContact O-NE2 3.13Å; G245-Q248 PolarHBondContact O-N 3.38Å; W246-Q248 PolarHBondContact O-N 2.97Å; Q248-H250 VanDerWaalsContact C-N 3.32Å; Q248-E482 PolarHBondContact OE1-OE1 2.9Å
249I87.7Confident78.5Confident1 Ų157.2 Ų57.21%0.00529%0.291CS..G310 helixtrans-93.212.6-176.856.5165.9000112.5W246 K247 G251 D252 V253 L479 E482W246-I249 WeakPolarHBondContact O-CG1 3.45Å; W246-I249 PolarHBondContact O-N 2.84Å; K247-I249 PolarHBondContact O-N 3.13Å; I249-G251 PolarHBondContact O-N 3.01Å; I249-D252 PolarHBondContact O-N 3.23Å; I249-V253 HydrophobicContact CB-CG2 4.06Å; I249-V253 HydrophobicContact CD1-CG2 3.75Å; I249-V253 HydrophobicContact CG1-CG2 3.66Å; I249-V253 WeakPolarHBondContact O-CG2 3.31Å; I249-V253 PolarHBondContact O-N 3.07Å; I249-L479 HydrophobicContact CD1-CB 4.32Å; I249-L479 HydrophobicContact CD1-CD2 3.49Å; I249-L479 VanDerWaalsContact CD1-CD2 3.49Å; I249-E482 HydrophobicContact CG2-CB 4.17Å
250H86.2Confident80.5Confident47 Ų4753 Ų5322%0.21827%0.267CS..THydrogen-bonded Turntrans-49.8-35.9178.475.483.3000112.9K247 Q248 Y555 I560K247-H250 WeakPolarHBondContact O-CB 3.46Å; K247-H250 PolarHBondContact O-CD2 3.04Å; K247-H250 PolarHBondContact O-N 2.87Å; Q248-H250 VanDerWaalsContact C-N 3.32Å; H250-Y555 VanDerWaalsContact CA-CE1 3.48Å; H250-Y555 HydrophobicContact CB-CD1 3.86Å; H250-Y555 HydrophobicContact CB-CE1 3.72Å; H250-I560 HydrophobicContact CB-CD1 3.82Å; H250-I560 WeakPolarHBondContact CD2-CD1 3.36Å
251G87.1Confident82.9Confident2 Ų247 Ų472%0.02124%0.243CC..THydrogen-bonded Turntrans-76.5-12.8179.200000115I249 V402 N403I249-G251 PolarHBondContact O-N 3.01Å; G251-V402 CarbonylContact O-C 3.58Å; G251-V402 WeakPolarHBondContact O-CA 3.25Å; G251-N403 PolarHBondContact O-N 3.37Å
252D90.6Very high85Confident4 Ų449.1 Ų49.12%0.02125%0.246CC..THydrogen-bonded Turntrans-119.5-17.1-176.9-81.8-47.8000113.9I249 F254 R255 R407 Y484I249-D252 PolarHBondContact O-N 3.23Å; D252-F254 VanDerWaalsContact C-N 3.26Å; D252-F254 PolarHBondContact O-N 2.7Å; D252-R255 WeakPolarHBondContact O-CB 3.47Å; D252-R255 PolarHBondContact O-N 2.88Å; D252-R255 VanDerWaalsContact O-N 3.11Å; D252-R255 IonicContact OD1-NE 3.95Å; D252-R255 IonicContact OD1-NH2 3.16Å; D252-R407 PolarHBondContact OD2-N 3.02Å; D252-Y484 HydrophobicContact CB-CD1 3.99Å; D252-Y484 HydrophobicContact CB-CD2 4.33Å; D252-Y484 HydrophobicContact CB-CG 3.84Å
253V90.9Very high87.3Confident1 Ų145 Ų451%0.00622%0.224CC..THydrogen-bonded Turntrans-60-31.8-175.9170.20000113.8I249 R255 L479 W486 V551 Y555I249-V253 HydrophobicContact CB-CG2 4.06Å; I249-V253 HydrophobicContact CD1-CG2 3.75Å; I249-V253 HydrophobicContact CG1-CG2 3.66Å; I249-V253 WeakPolarHBondContact O-CG2 3.31Å; I249-V253 PolarHBondContact O-N 3.07Å; V253-R255 VanDerWaalsContact C-N 3.35Å; V253-L479 HydrophobicContact CG2-CD2 4.11Å; V253-W486 PolarHBondContact O-NE1 3.05Å; V253-V551 HydrophobicContact CG1-CG1 3.34Å; V253-Y555 HydrophobicContact CB-CE2 4.11Å; V253-Y555 HydrophobicContact CG1-CD2 4.03Å; V253-Y555 HydrophobicContact CG1-CE2 3.58Å; V253-Y555 HydrophobicContact CG2-CE1 4.23Å; V253-Y555 HydrophobicContact CG2-CE2 3.84Å; V253-Y555 VanDerWaalsContact CG2-CZ 3.48Å; V253-Y555 WeakPolarHBondContact CG2-OH 3.38Å
254F92.7Very high89.2Confident11 Ų1141.6 Ų41.65%0.04821%0.208CC..THydrogen-bonded Turntrans-917.3-178.4-63.6-70.4000114.3D252 Y398 P399 C400 V402 R487 V551 Y555D252-F254 VanDerWaalsContact C-N 3.26Å; D252-F254 PolarHBondContact O-N 2.7Å; F254-Y398 HydrophobicContact CB-CD1 3.89Å; F254-Y398 HydrophobicContact CB-CD2 4.22Å; F254-Y398 HydrophobicContact CB-CE1 4.35Å; F254-Y398 HydrophobicContact CB-CG 3.82Å; F254-Y398 AromaticContact CD1-CD1 3.37Å; F254-Y398 HydrophobicContact CD1-CD1 3.37Å; F254-Y398 AromaticContact CD1-CE1 3.96Å; F254-Y398 HydrophobicContact CD1-CE1 3.96Å; F254-Y398 HydrophobicContact CD1-CG 4.04Å; F254-Y398 HydrophobicContact CE1-CD1 4.16Å; F254-Y398 AromaticContact CG-CD1 3.79Å; F254-Y398 HydrophobicContact CG-CD1 3.79Å; F254-Y398 AromaticContact CG-CG 3.98Å; F254-Y398 HydrophobicContact CG-CG 3.98Å; F254-P399 HydrophobicContact CD2-CG 4.48Å; F254-P399 HydrophobicContact CE1-CG 4.2Å; F254-P399 HydrophobicContact CE2-CG 3.49Å; F254-P399 VanDerWaalsContact CE2-CG 3.49Å; F254-P399 VanDerWaalsContact CZ-CD 3.41Å; F254-P399 HydrophobicContact CZ-CG 3.32Å; F254-C400 HydrophobicContact CD2-CB 4.16Å; F254-C400 HydrophobicContact CE2-CB 4.14Å; F254-V402 HydrophobicContact CB-CG2 3.8Å; F254-R487 PolarHBondContact O-NH2 3.45Å; F254-V551 HydrophobicContact CE1-CG1 4.03Å; F254-V551 HydrophobicContact CZ-CG1 4.1Å; F254-Y555 HydrophobicContact CE2-CD2 4.32Å; F254-Y555 HydrophobicContact CE2-CG 4.11Å; F254-Y555 HydrophobicContact CZ-CD2 4.17Å; F254-Y555 HydrophobicContact CZ-CG 4.26Å
255R92.3Very high90.7Very high70 Ų7033.2 Ų33.226%0.26418%0.176SC..SBendtrans-60.6140.3176.6-171.2174.8-78.4-91.62112D252 V253 V402 N403 A404 R487D252-R255 WeakPolarHBondContact O-CB 3.47Å; D252-R255 PolarHBondContact O-N 2.88Å; D252-R255 VanDerWaalsContact O-N 3.11Å; D252-R255 IonicContact OD1-NE 3.95Å; D252-R255 IonicContact OD1-NH2 3.16Å; V253-R255 VanDerWaalsContact C-N 3.35Å; R255-V402 HydrophobicContact CB-CG1 4.33Å; R255-N403 PolarHBondContact NH2-O 3.1Å; R255-A404 PolarHBondContact NH2-O 2.96Å; R255-R487 PolarHBondContact O-NE 2.9Å; R255-R487 PolarHBondContact O-NH1 3.23Å; R255-R487 PolarHBondContact O-NH2 3Å
256P92.4Very high91.7Very high63 Ų6334.1 Ų34.141%0.40918%0.178SC..PPolyproline II helixtrans-56.9143173.423.7-35.2000111.7F322P256-F322 HydrophobicContact CB-CB 4.1Å; P256-F322 HydrophobicContact CB-CG 4.43Å
257P93.4Very high92.4Very high15 Ų1533.8 Ų33.810%0.09718%0.177CC..PPolyproline II helixtrans-69.4157.1178.631.6-35000111H259 Q260 F263 F322 R487P257-H259 PolarHBondContact O-N 3.35Å; P257-Q260 PolarHBondContact O-N 3.48Å; P257-F263 HydrophobicContact CB-CG 4.4Å; P257-F263 HydrophobicContact CG-CB 4.06Å; P257-F263 HydrophobicContact CG-CD1 3.86Å; P257-F263 HydrophobicContact CG-CE1 4.47Å; P257-F263 HydrophobicContact CG-CG 3.91Å; P257-F322 HydrophobicContact CG-CD2 4.16Å; P257-F322 HydrophobicContact CG-CE2 3.74Å; P257-F322 HydrophobicContact CG-CZ 4.16Å; P257-R487 HydrophobicContact CB-CB 4.2Å
258A91.3Very high93.1Very high67 Ų6732.9 Ų32.955%0.55417%0.174SC*.THydrogen-bonded Turntrans-54.7140.5165.800000109.7Q260 W488A258-Q260 PolarHBondContact O-N 2.96Å; A258-W488 PolarHBondContact O-NE1 3.32Å
259H94.6Very high93.8Very high152 Ų15230.8 Ų30.870%0.70416%0.164SC*.THydrogen-bonded Turntrans51.549.7-175.9-54.8-70.6000114.2P257 L261 L262 F263P257-H259 PolarHBondContact O-N 3.35Å; H259-L261 PolarHBondContact O-N 3.24Å; H259-L262 HydrophobicContact CB-CB 4.36Å; H259-L262 PolarHBondContact O-N 2.98Å; H259-F263 PolarHBondContact O-N 3.18Å; H259-F263 VanDerWaalsContact O-N 3.11Å
260Q94.3Very high94.3Very high60 Ų6030.8 Ų30.828%0.2816%0.163SC..Hα-helixtrans-46.5-29.6178.655.5172-14.100115.9P257 A258 A264 Y319 F322P257-Q260 PolarHBondContact O-N 3.48Å; A258-Q260 PolarHBondContact O-N 2.96Å; Q260-A264 VanDerWaalsContact O-CB 3.26Å; Q260-A264 WeakPolarHBondContact O-CB 3.28Å; Q260-A264 PolarHBondContact O-N 3.4Å; Q260-A264 VanDerWaalsContact O-N 3.09Å; Q260-Y319 HydrophobicContact CG-CE2 4.1Å; Q260-F322 HydrophobicContact CB-CB 4.42Å; Q260-F322 HydrophobicContact CB-CD2 4.08Å; Q260-F322 PolarHBondContact OE1-O 2.82Å
261L96.3Very high94.8Very high50 Ų5029.6 Ų29.626%0.26216%0.161SC..Hα-helixtrans-63.6-56175.4-175.372.8000111.2H259 A264 S265 Y319 R329 Q330 V333H259-L261 PolarHBondContact O-N 3.24Å; L261-A264 PolarHBondContact O-N 3.46Å; L261-S265 WeakPolarHBondContact O-CB 3.23Å; L261-S265 PolarHBondContact O-N 2.88Å; L261-S265 PolarHBondContact O-OG 3.37Å; L261-S265 VanDerWaalsContact O-OG 3.12Å; L261-Y319 HydrophobicContact CB-CE2 4.2Å; L261-Y319 HydrophobicContact CD1-CE2 3.93Å; L261-R329 HydrophobicContact CD1-CB 4.44Å; L261-Q330 HydrophobicContact CD1-CB 3.48Å; L261-Q330 VanDerWaalsContact CD1-CB 3.48Å; L261-Q330 HydrophobicContact CD1-CG 4.08Å; L261-V333 HydrophobicContact CD2-CG2 4.28Å
262L96.2Very high95.4Very high72 Ų7229.5 Ų29.538%0.37716%0.16SC..Hα-helixtrans-64.2-44.6-178.5178.463.9000110.6H259 A264 S265 L266 L337 W488H259-L262 HydrophobicContact CB-CB 4.36Å; H259-L262 PolarHBondContact O-N 2.98Å; L262-A264 PolarHBondContact O-N 3.15Å; L262-S265 PolarHBondContact O-N 2.94Å; L262-L266 HydrophobicContact CD1-CD1 4.2Å; L262-L266 HydrophobicContact CD1-CG 4.17Å; L262-L266 HydrophobicContact CG-CD1 3.96Å; L262-L266 HydrophobicContact CG-CG 4.36Å; L262-L266 WeakPolarHBondContact O-CB 3.42Å; L262-L266 WeakPolarHBondContact O-CG 3.35Å; L262-L266 PolarHBondContact O-N 3.31Å; L262-L337 HydrophobicContact CD1-CD1 4.28Å; L262-L337 HydrophobicContact CD1-CD2 4.22Å; L262-W488 HydrophobicContact CD2-CH2 4.26Å; L262-W488 HydrophobicContact CG-CH2 4.33Å
263F97.5Very high95.7Very high0 Ų029.9 Ų29.90%016%0.162CC..Hα-helixtrans-59.3-48.7179.4-171.3-92.5000112P257 H259 S265 L266 V267 L318 F322 R487 W488 F491 F544P257-F263 HydrophobicContact CB-CG 4.4Å; P257-F263 HydrophobicContact CG-CB 4.06Å; P257-F263 HydrophobicContact CG-CD1 3.86Å; P257-F263 HydrophobicContact CG-CE1 4.47Å; P257-F263 HydrophobicContact CG-CG 3.91Å; H259-F263 PolarHBondContact O-N 3.18Å; H259-F263 VanDerWaalsContact O-N 3.11Å; F263-S265 VanDerWaalsContact C-N 3.33Å; F263-S265 PolarHBondContact O-N 3.39Å; F263-L266 PolarHBondContact O-N 2.97Å; F263-V267 HydrophobicContact CD1-CG2 4.15Å; F263-V267 HydrophobicContact CE1-CG2 3.81Å; F263-V267 HydrophobicContact CZ-CG2 4.11Å; F263-V267 WeakPolarHBondContact O-CG2 3.39Å; F263-V267 PolarHBondContact O-N 3.02Å; F263-L318 HydrophobicContact CD1-CD2 4.4Å; F263-L318 HydrophobicContact CE1-CD2 4.32Å; F263-F322 AromaticContact CD1-CE2 3.82Å; F263-F322 HydrophobicContact CD1-CE2 3.82Å; F263-F322 HydrophobicContact CD1-CZ 4.21Å; F263-F322 HydrophobicContact CE1-CE2 4.32Å; F263-F322 HydrophobicContact CE1-CZ 4.25Å; F263-R487 HydrophobicContact CE1-CB 4.5Å; F263-R487 HydrophobicContact CE2-CB 4.41Å; F263-R487 WeakPolarHBondContact CE2-O 2.97Å; F263-R487 HydrophobicContact CZ-CB 4Å; F263-R487 WeakPolarHBondContact CZ-O 3.17Å; F263-W488 HydrophobicContact CB-CH2 4.08Å; F263-W488 HydrophobicContact CB-CZ2 3.68Å; F263-W488 AromaticContact CD2-CD2 3.57Å; F263-W488 HydrophobicContact CD2-CD2 3.57Å; F263-W488 AromaticContact CD2-CE2 3.56Å; F263-W488 AromaticContact CD2-CE3 3.68Å; F263-W488 HydrophobicContact CD2-CE3 3.68Å; F263-W488 HydrophobicContact CD2-CG 4.23Å; F263-W488 AromaticContact CD2-CH2 3.84Å; F263-W488 HydrophobicContact CD2-CH2 3.84Å; F263-W488 AromaticContact CD2-CZ2 3.72Å; F263-W488 HydrophobicContact CD2-CZ2 3.72Å; F263-W488 AromaticContact CD2-CZ3 3.81Å; F263-W488 HydrophobicContact CD2-CZ3 3.81Å; F263-W488 HydrophobicContact CE2-CD2 4.03Å; F263-W488 HydrophobicContact CE2-CE3 4.05Å; F263-W488 HydrophobicContact CE2-CG 4.39Å; F263-W488 HydrophobicContact CE2-CZ3 4.49Å; F263-W488 HydrophobicContact CG-CH2 4.48Å; F263-W488 HydrophobicContact CG-CZ2 4.19Å; F263-F491 HydrophobicContact CE2-CB 3.92Å; F263-F491 HydrophobicContact CE2-CG 4.36Å; F263-F491 HydrophobicContact CZ-CB 4.46Å; F263-F544 HydrophobicContact CE1-CD1 4.27Å; F263-F544 AromaticContact CE1-CD2 3.87Å; F263-F544 HydrophobicContact CE1-CD2 3.87Å; F263-F544 HydrophobicContact CE1-CE1 4.06Å; F263-F544 AromaticContact CE1-CE2 3.63Å; F263-F544 HydrophobicContact CE1-CE2 3.63Å; F263-F544 HydrophobicContact CE1-CG 4.17Å; F263-F544 AromaticContact CE1-CZ 3.74Å; F263-F544 HydrophobicContact CE1-CZ 3.74Å; F263-F544 HydrophobicContact CZ-CD1 4.35Å; F263-F544 AromaticContact CZ-CD2 3.45Å; F263-F544 HydrophobicContact CZ-CD2 3.45Å; F263-F544 VanDerWaalsContact CZ-CD2 3.45Å; F263-F544 AromaticContact CZ-CE2 3.65Å; F263-F544 HydrophobicContact CZ-CE2 3.65Å; F263-F544 AromaticContact CZ-CG 3.82Å; F263-F544 HydrophobicContact CZ-CG 3.82Å; F263-F544 HydrophobicContact CZ-CZ 4.2Å
264A97.2Very high96Very high0 Ų032.4 Ų32.40%017%0.173CC..Hα-helixtrans-64.8-38.2179.100000112.3Q260 L261 L262 V267 G268 G315 L318 Y319Q260-A264 VanDerWaalsContact O-CB 3.26Å; Q260-A264 WeakPolarHBondContact O-CB 3.28Å; Q260-A264 PolarHBondContact O-N 3.4Å; Q260-A264 VanDerWaalsContact O-N 3.09Å; L261-A264 PolarHBondContact O-N 3.46Å; L262-A264 PolarHBondContact O-N 3.15Å; A264-V267 PolarHBondContact O-N 3.38Å; A264-G268 PolarHBondContact O-N 2.63Å; A264-G315 WeakPolarHBondContact O-CA 3.38Å; A264-L318 HydrophobicContact CB-CB 4.45Å; A264-L318 HydrophobicContact CB-CG 4.46Å; A264-Y319 HydrophobicContact CB-CD2 4.19Å; A264-Y319 HydrophobicContact CB-CG 4.45Å
265S97.7Very high96.2Very high0 Ų034 Ų340%018%0.183CC..Hα-helixtrans-67.2-39.1175.6-67.80000113.1L261 L262 F263 T269 Q330 G334L261-S265 WeakPolarHBondContact O-CB 3.23Å; L261-S265 PolarHBondContact O-N 2.88Å; L261-S265 PolarHBondContact O-OG 3.37Å; L261-S265 VanDerWaalsContact O-OG 3.12Å; L262-S265 PolarHBondContact O-N 2.94Å; F263-S265 VanDerWaalsContact C-N 3.33Å; F263-S265 PolarHBondContact O-N 3.39Å; S265-T269 WeakPolarHBondContact O-CB 3.29Å; S265-T269 PolarHBondContact O-N 3.18Å; S265-T269 PolarHBondContact O-OG1 3.15Å; S265-Q330 PolarHBondContact OG-NE2 3.34Å; S265-Q330 PolarHBondContact OG-O 3.46Å; S265-G334 PolarHBondContact OG-N 2.85Å
266L97.9Very high96.4Very high27 Ų2731.1 Ų31.114%0.14117%0.174CC..Hα-helixtrans-64.4-44.7173.7-75.6171.3000111.4L262 F263 T269 G270 L337 W488 F491 I537L262-L266 HydrophobicContact CD1-CD1 4.2Å; L262-L266 HydrophobicContact CD1-CG 4.17Å; L262-L266 HydrophobicContact CG-CD1 3.96Å; L262-L266 HydrophobicContact CG-CG 4.36Å; L262-L266 WeakPolarHBondContact O-CB 3.42Å; L262-L266 WeakPolarHBondContact O-CG 3.35Å; L262-L266 PolarHBondContact O-N 3.31Å; F263-L266 PolarHBondContact O-N 2.97Å; L266-T269 PolarHBondContact O-N 3.11Å; L266-G270 PolarHBondContact O-N 3Å; L266-L337 HydrophobicContact CD2-CD1 4.23Å; L266-L337 HydrophobicContact CG-CD1 4.4Å; L266-W488 HydrophobicContact CD1-CH2 3.95Å; L266-W488 HydrophobicContact CD1-CZ3 4.01Å; L266-F491 HydrophobicContact CB-CE2 4.25Å; L266-F491 HydrophobicContact CB-CZ 4.01Å; L266-F491 HydrophobicContact CD1-CE1 4.38Å; L266-F491 HydrophobicContact CD1-CZ 4.38Å; L266-I537 HydrophobicContact CD2-CD1 4.25Å; L266-I537 HydrophobicContact CD2-CG1 4.26Å; L266-I537 WeakPolarHBondContact O-CG2 3.24Å
267V97.8Very high96.6Very high5 Ų530.1 Ų30.13%0.0317%0.166CC..Hα-helixtrans-63-44.8177.7173.10000111.3F263 A264 T269 G270 C271 L318 F491 T541 F544F263-V267 HydrophobicContact CD1-CG2 4.15Å; F263-V267 HydrophobicContact CE1-CG2 3.81Å; F263-V267 HydrophobicContact CZ-CG2 4.11Å; F263-V267 WeakPolarHBondContact O-CG2 3.39Å; F263-V267 PolarHBondContact O-N 3.02Å; A264-V267 PolarHBondContact O-N 3.38Å; V267-T269 VanDerWaalsContact C-N 3.34Å; V267-T269 PolarHBondContact O-N 3.47Å; V267-G270 PolarHBondContact O-N 3.29Å; V267-C271 PolarHBondContact O-N 3.27Å; V267-L318 HydrophobicContact CB-CD2 3.77Å; V267-L318 HydrophobicContact CG1-CD2 3.67Å; V267-L318 HydrophobicContact CG2-CD2 4.03Å; V267-F491 HydrophobicContact CG2-CD2 4.27Å; V267-F491 HydrophobicContact CG2-CE2 4.44Å; V267-T541 WeakPolarHBondContact CA-OG1 3.42Å; V267-T541 HydrophobicContact CG1-CG2 4Å; V267-T541 WeakPolarHBondContact O-CG2 3.41Å; V267-T541 PolarHBondContact O-OG1 2.71Å; V267-F544 HydrophobicContact CG1-CD1 3.93Å; V267-F544 HydrophobicContact CG1-CE1 4.2Å; V267-F544 HydrophobicContact CG2-CD1 3.74Å; V267-F544 HydrophobicContact CG2-CE1 4.23Å; V267-F544 HydrophobicContact CG2-CG 4.27Å
268G97.8Very high96.7Very high0 Ų031.8 Ų31.80%017%0.174CC..Hα-helixtrans-57.7-45.8174.300000112.6A264 G270 C271 H272 N311A264-G268 PolarHBondContact O-N 2.63Å; G268-G270 PolarHBondContact O-N 3.05Å; G268-C271 PolarHBondContact O-N 2.87Å; G268-H272 PolarHBondContact O-N 3.33Å; G268-N311 VanDerWaalsContact C-OD1 3.26Å
269T97.9Very high96.8Very high0 Ų031.4 Ų31.40%017%0.165CC..Hα-helixtrans-61.1-42.3176.2-560000111.4S265 L266 V267 H272 V273 N311 G334 L338 I537S265-T269 WeakPolarHBondContact O-CB 3.29Å; S265-T269 PolarHBondContact O-N 3.18Å; S265-T269 PolarHBondContact O-OG1 3.15Å; L266-T269 PolarHBondContact O-N 3.11Å; V267-T269 VanDerWaalsContact C-N 3.34Å; V267-T269 PolarHBondContact O-N 3.47Å; T269-H272 WeakPolarHBondContact O-CB 3.46Å; T269-H272 PolarHBondContact O-N 3.02Å; T269-V273 HydrophobicContact CG2-CG2 4.38Å; T269-V273 WeakPolarHBondContact O-CG2 3.28Å; T269-V273 PolarHBondContact O-N 3.44Å; T269-N311 PolarHBondContact N-OD1 3.41Å; T269-G334 PolarHBondContact OG1-O 3.28Å; T269-L338 HydrophobicContact CG2-CB 3.8Å; T269-L338 HydrophobicContact CG2-CD2 4.27Å; T269-I537 HydrophobicContact CG2-CG2 4.1Å
270G97.9Very high96.8Very high0 Ų024.8 Ų24.80%014%0.135CC..Hα-helixtrans-69.7-35.5179.700000114L266 V267 G268 H272 F274 T541L266-G270 PolarHBondContact O-N 3Å; V267-G270 PolarHBondContact O-N 3.29Å; G268-G270 PolarHBondContact O-N 3.05Å; G270-H272 VanDerWaalsContact C-N 3.31Å; G270-F274 VanDerWaalsContact O-CB 3.31Å; G270-F274 WeakPolarHBondContact O-CB 3.38Å; G270-F274 PolarHBondContact O-N 3.32Å; G270-T541 WeakPolarHBondContact CA-OG1 3.5Å
271C97.8Very high96.7Very high23 Ų2322.2 Ų22.216%0.15512%0.123CC..Hα-helixtrans-61.2-44.2170.5-74.90000110.8V267 G268 F274 V275 V310 A314 T541V267-C271 PolarHBondContact O-N 3.27Å; G268-C271 PolarHBondContact O-N 2.87Å; C271-F274 PolarHBondContact O-N 3.03Å; C271-V275 WeakPolarHBondContact O-CG2 3.48Å; C271-V275 PolarHBondContact O-N 3.39Å; C271-V310 HydrophobicContact CB-CG1 4.2Å; C271-A314 HydrophobicContact CB-CB 3.82Å; C271-T541 HydrophobicContact CB-CG2 4.47Å; C271-T541 WeakPolarHBondContact SG-CG2 3.38Å
272H98Very high96.4Very high0 Ų021.5 Ų21.50%013%0.125CC..Hα-helixtrans-62.7-49.8178.3177.5-152.8000111.7G268 T269 G270 F274 V275 V276 Y304 L307 S308 N311G268-H272 PolarHBondContact O-N 3.33Å; T269-H272 WeakPolarHBondContact O-CB 3.46Å; T269-H272 PolarHBondContact O-N 3.02Å; G270-H272 VanDerWaalsContact C-N 3.31Å; H272-F274 VanDerWaalsContact C-N 3.32Å; H272-F274 PolarHBondContact O-N 3.39Å; H272-V275 PolarHBondContact O-N 3.25Å; H272-V276 WeakPolarHBondContact O-CB 3.47Å; H272-V276 WeakPolarHBondContact O-CG2 3.48Å; H272-V276 PolarHBondContact O-N 3.32Å; H272-Y304 AromaticContact CE1-CD1 3.87Å; H272-Y304 AromaticContact CE1-CD2 3.45Å; H272-Y304 VanDerWaalsContact CE1-CD2 3.45Å; H272-Y304 WeakPolarHBondContact CE1-CD2 3.41Å; H272-Y304 AromaticContact CE1-CE1 3.66Å; H272-Y304 AromaticContact CE1-CE2 3.19Å; H272-Y304 WeakPolarHBondContact CE1-CE2 3.34Å; H272-Y304 AromaticContact CE1-CG 3.77Å; H272-Y304 AromaticContact CE1-CZ 3.3Å; H272-Y304 PolarHBondContact CE1-O 3.45Å; H272-Y304 VanDerWaalsContact CE1-O 3.23Å; H272-Y304 AromaticContact ND1-CE2 3.44Å; H272-Y304 WeakPolarHBondContact ND1-CE2 3.42Å; H272-Y304 AromaticContact ND1-CZ 3.58Å; H272-Y304 AromaticContact NE2-CD2 3.76Å; H272-Y304 AromaticContact NE2-CE2 3.92Å; H272-Y304 PolarHBondContact NE2-O 3.12Å; H272-L307 PolarHBondContact CD2-O 3.34Å; H272-L307 VanDerWaalsContact CD2-O 3.23Å; H272-S308 PolarHBondContact NE2-N 2.71Å; H272-N311 HydrophobicContact CB-CB 3.76Å
273V97.7Very high96.2Very high12 Ų1221 Ų217%0.07312%0.124CC..Hα-helixtrans-57.8-44.2175.5172.30000111.2T269 V275 V276 V277 L338 A534 M538T269-V273 HydrophobicContact CG2-CG2 4.38Å; T269-V273 WeakPolarHBondContact O-CG2 3.28Å; T269-V273 PolarHBondContact O-N 3.44Å; V273-V275 PolarHBondContact O-N 2.85Å; V273-V276 PolarHBondContact O-N 3.46Å; V273-V277 HydrophobicContact CG1-CG2 4.24Å; V273-V277 WeakPolarHBondContact O-CB 3.13Å; V273-V277 VanDerWaalsContact O-CG2 3.29Å; V273-V277 WeakPolarHBondContact O-CG2 3.11Å; V273-V277 PolarHBondContact O-N 3.49Å; V273-L338 HydrophobicContact CG2-CD2 3.54Å; V273-A534 HydrophobicContact CG1-CB 4.5Å; V273-M538 HydrophobicContact CG1-CB 4.06Å; V273-M538 HydrophobicContact CG1-CG 4.47Å; V273-M538 HydrophobicContact CG1-SD 4.4Å
274F97.3Very high95.8Very high53 Ų5321.2 Ų21.223%0.23213%0.126CC..Hα-helixtrans-59.8-48179.1-176.3-115.7000112.4G270 C271 H272 V277 L278 A464 M538 I542G270-F274 VanDerWaalsContact O-CB 3.31Å; G270-F274 WeakPolarHBondContact O-CB 3.38Å; G270-F274 PolarHBondContact O-N 3.32Å; C271-F274 PolarHBondContact O-N 3.03Å; H272-F274 VanDerWaalsContact C-N 3.32Å; H272-F274 PolarHBondContact O-N 3.39Å; F274-V277 PolarHBondContact O-N 2.68Å; F274-L278 HydrophobicContact CD1-CD1 4.02Å; F274-L278 HydrophobicContact CE1-CD1 3.51Å; F274-L278 HydrophobicContact CE1-CG 4.41Å; F274-L278 HydrophobicContact CE2-CD1 4.25Å; F274-L278 HydrophobicContact CE2-CG 4.36Å; F274-L278 HydrophobicContact CZ-CD1 3.65Å; F274-L278 HydrophobicContact CZ-CG 4.23Å; F274-L278 WeakPolarHBondContact O-CG 3.24Å; F274-L278 PolarHBondContact O-N 3.29Å; F274-A464 HydrophobicContact CE2-CB 4.27Å; F274-A464 HydrophobicContact CZ-CB 4.33Å; F274-M538 HydrophobicContact CB-CG 3.91Å; F274-M538 HydrophobicContact CB-SD 4.37Å; F274-M538 HydrophobicContact CD2-CG 3.93Å; F274-M538 HydrophobicContact CD2-SD 3.85Å; F274-M538 HydrophobicContact CG-CG 4.4Å; F274-I542 HydrophobicContact CD2-CD1 3.69Å; F274-I542 HydrophobicContact CD2-CG1 4.35Å; F274-I542 HydrophobicContact CE2-CD1 3.72Å; F274-I542 HydrophobicContact CE2-CG1 4.5Å; F274-I542 HydrophobicContact CG-CD1 4.4Å; F274-I542 HydrophobicContact CZ-CD1 4.45Å
275V97.1Very high95.2Very high45 Ų4526.5 Ų26.527%0.27315%0.152SC..Hα-helixtrans-66.1-39.6178.7178.20000111C271 H272 V273 L278 V279 L307 V310C271-V275 WeakPolarHBondContact O-CG2 3.48Å; C271-V275 PolarHBondContact O-N 3.39Å; H272-V275 PolarHBondContact O-N 3.25Å; V273-V275 PolarHBondContact O-N 2.85Å; V275-L278 PolarHBondContact O-N 3Å; V275-V279 HydrophobicContact CG1-CG2 4.3Å; V275-V279 WeakPolarHBondContact O-CB 3.26Å; V275-V279 WeakPolarHBondContact O-CG2 3.1Å; V275-V279 PolarHBondContact O-N 2.71Å; V275-L307 HydrophobicContact CG1-CD1 4.05Å; V275-L307 HydrophobicContact CG1-CD2 4.1Å; V275-V310 HydrophobicContact CG2-CG1 4.18Å
276V97.4Very high94.7Very high10 Ų1033.8 Ų33.86%0.06119%0.19CC..Hα-helixtrans-60.9-47175.3171.40000110.8H272 V273 L278 V279 V280 A303 Y304 L307H272-V276 WeakPolarHBondContact O-CB 3.47Å; H272-V276 WeakPolarHBondContact O-CG2 3.48Å; H272-V276 PolarHBondContact O-N 3.32Å; V273-V276 PolarHBondContact O-N 3.46Å; V276-L278 PolarHBondContact O-N 3.49Å; V276-V279 PolarHBondContact O-N 3.3Å; V276-V280 HydrophobicContact CG1-CG2 4.06Å; V276-V280 WeakPolarHBondContact O-CB 3.25Å; V276-V280 VanDerWaalsContact O-CG2 3.23Å; V276-V280 WeakPolarHBondContact O-CG2 3.37Å; V276-V280 PolarHBondContact O-N 3.32Å; V276-A303 HydrophobicContact CG1-CB 4.37Å; V276-Y304 HydrophobicContact CG2-CD2 4.15Å; V276-L307 HydrophobicContact CB-CD1 4.37Å; V276-L307 HydrophobicContact CG2-CB 4Å; V276-L307 HydrophobicContact CG2-CD1 3.74Å
277V95.5Very high93.8Very high41 Ų4133.7 Ų33.725%0.24820%0.196CC..Hα-helixtrans-59.8-47.1177.8169.30000110.8V273 F274 V279 V280 V281 M538V273-V277 HydrophobicContact CG1-CG2 4.24Å; V273-V277 WeakPolarHBondContact O-CB 3.13Å; V273-V277 VanDerWaalsContact O-CG2 3.29Å; V273-V277 WeakPolarHBondContact O-CG2 3.11Å; V273-V277 PolarHBondContact O-N 3.49Å; F274-V277 PolarHBondContact O-N 2.68Å; V277-V279 PolarHBondContact O-N 3.44Å; V277-V280 PolarHBondContact O-N 3.23Å; V277-V281 HydrophobicContact CG1-CG2 4.26Å; V277-V281 VanDerWaalsContact O-CB 3.31Å; V277-V281 WeakPolarHBondContact O-CB 3.43Å; V277-V281 WeakPolarHBondContact O-CG2 3.24Å; V277-V281 PolarHBondContact O-N 2.89Å; V277-M538 HydrophobicContact CB-SD 4.41Å; V277-M538 HydrophobicContact CG2-SD 4.22Å
278L94.8Very high92.7Very high50 Ų5038.6 Ų38.626%0.26222%0.218SC..Hα-helixtrans-60.9-44.9178.3-73178.6000112.5F274 V275 V276 A282 L457F274-L278 HydrophobicContact CD1-CD1 4.02Å; F274-L278 HydrophobicContact CE1-CD1 3.51Å; F274-L278 HydrophobicContact CE1-CG 4.41Å; F274-L278 HydrophobicContact CE2-CD1 4.25Å; F274-L278 HydrophobicContact CE2-CG 4.36Å; F274-L278 HydrophobicContact CZ-CD1 3.65Å; F274-L278 HydrophobicContact CZ-CG 4.23Å; F274-L278 WeakPolarHBondContact O-CG 3.24Å; F274-L278 PolarHBondContact O-N 3.29Å; V275-L278 PolarHBondContact O-N 3Å; V276-L278 PolarHBondContact O-N 3.49Å; L278-A282 VanDerWaalsContact O-CB 3.25Å; L278-A282 WeakPolarHBondContact O-CB 3.34Å; L278-A282 PolarHBondContact O-N 2.92Å; L278-L457 HydrophobicContact CD2-CD1 4.01Å
279V94.5Very high91.7Very high60 Ų6039.9 Ų39.936%0.36423%0.225SC..Hα-helixtrans-67.8-47180170.50000111V275 V276 V277 V281 A282 V283 L307V275-V279 HydrophobicContact CG1-CG2 4.3Å; V275-V279 WeakPolarHBondContact O-CB 3.26Å; V275-V279 WeakPolarHBondContact O-CG2 3.1Å; V275-V279 PolarHBondContact O-N 2.71Å; V276-V279 PolarHBondContact O-N 3.3Å; V277-V279 PolarHBondContact O-N 3.44Å; V279-V281 PolarHBondContact O-N 2.84Å; V279-A282 PolarHBondContact O-N 3.47Å; V279-V283 HydrophobicContact CG1-CG2 4.26Å; V279-V283 WeakPolarHBondContact O-CB 3.22Å; V279-V283 VanDerWaalsContact O-CG2 3.27Å; V279-V283 WeakPolarHBondContact O-CG2 3.22Å; V279-V283 PolarHBondContact O-N 2.98Å; V279-L307 HydrophobicContact CB-CD1 4.12Å; V279-L307 HydrophobicContact CG1-CD1 4.43Å; V279-L307 HydrophobicContact CG2-CD1 4.05Å
280V93.8Very high90.7Very high12 Ų1242 Ų427%0.07323%0.234CC..Hα-helixtrans-61.7-45.7179.2170.40000110.4V276 V277 A282 V283 S284 I300 A303V276-V280 HydrophobicContact CG1-CG2 4.06Å; V276-V280 WeakPolarHBondContact O-CB 3.25Å; V276-V280 VanDerWaalsContact O-CG2 3.23Å; V276-V280 WeakPolarHBondContact O-CG2 3.37Å; V276-V280 PolarHBondContact O-N 3.32Å; V277-V280 PolarHBondContact O-N 3.23Å; V280-A282 VanDerWaalsContact C-N 3.34Å; V280-A282 PolarHBondContact O-N 2.82Å; V280-V283 PolarHBondContact O-N 2.76Å; V280-S284 WeakPolarHBondContact O-CB 3.48Å; V280-S284 PolarHBondContact O-N 3.34Å; V280-S284 PolarHBondContact O-OG 2.96Å; V280-I300 HydrophobicContact CG1-CG1 3.8Å; V280-I300 HydrophobicContact CG2-CG1 4.05Å; V280-A303 HydrophobicContact CG2-CB 3.78Å
281V91.9Very high89.5Confident6 Ų643.9 Ų43.94%0.03624%0.243CC..Hα-helixtrans-64.4-39.9178.5174.10000111.3V277 V279 S284 M285 M456 L457V277-V281 HydrophobicContact CG1-CG2 4.26Å; V277-V281 VanDerWaalsContact O-CB 3.31Å; V277-V281 WeakPolarHBondContact O-CB 3.43Å; V277-V281 WeakPolarHBondContact O-CG2 3.24Å; V277-V281 PolarHBondContact O-N 2.89Å; V279-V281 PolarHBondContact O-N 2.84Å; V281-S284 PolarHBondContact O-N 3.16Å; V281-M285 WeakPolarHBondContact O-CB 3.16Å; V281-M285 PolarHBondContact O-N 3.49Å; V281-M456 HydrophobicContact CG1-CB 4.34Å; V281-M456 HydrophobicContact CG1-CG 4.44Å; V281-M456 HydrophobicContact CG2-CE 4.13Å; V281-M456 HydrophobicContact CG2-CG 4.2Å; V281-M456 HydrophobicContact CG2-SD 4.06Å; V281-L457 HydrophobicContact CB-CD1 4.48Å; V281-L457 HydrophobicContact CG1-CB 3.67Å; V281-L457 HydrophobicContact CG1-CD1 4.04Å; V281-L457 HydrophobicContact CG1-CG 4.44Å
282A91Very high88.5Confident35 Ų3548.9 Ų48.929%0.28926%0.264SS..Hα-helixtrans-65.2-42.9175.900000112.2L278 V279 V280 M285 L286L278-A282 VanDerWaalsContact O-CB 3.25Å; L278-A282 WeakPolarHBondContact O-CB 3.34Å; L278-A282 PolarHBondContact O-N 2.92Å; V279-A282 PolarHBondContact O-N 3.47Å; V280-A282 VanDerWaalsContact C-N 3.34Å; V280-A282 PolarHBondContact O-N 2.82Å; A282-M285 PolarHBondContact O-N 3.11Å; A282-L286 WeakPolarHBondContact O-CG 3.44Å; A282-L286 PolarHBondContact O-N 3.4Å
283V91.9Very high87.4Confident62 Ų6250.6 Ų50.638%0.37627%0.271SS..Hα-helixtrans-66.8-39.1176.1176.90000110.8V279 V280 M285 L286 G287 L289 T299V279-V283 HydrophobicContact CG1-CG2 4.26Å; V279-V283 WeakPolarHBondContact O-CB 3.22Å; V279-V283 VanDerWaalsContact O-CG2 3.27Å; V279-V283 WeakPolarHBondContact O-CG2 3.22Å; V279-V283 PolarHBondContact O-N 2.98Å; V280-V283 PolarHBondContact O-N 2.76Å; V283-M285 VanDerWaalsContact C-N 3.26Å; V283-M285 PolarHBondContact O-N 3.39Å; V283-L286 PolarHBondContact O-N 3.33Å; V283-G287 WeakPolarHBondContact O-CA 3.31Å; V283-G287 PolarHBondContact O-N 2.75Å; V283-L289 HydrophobicContact CG1-CD1 4.07Å; V283-T299 HydrophobicContact CG1-CG2 4.45Å
284S88.6Confident86.6Confident5 Ų550.5 Ų50.54%0.03527%0.271CS..Hα-helixtrans-67.3-24.2173.7-61.40000113.8V280 V281 G287 Y453V280-S284 WeakPolarHBondContact O-CB 3.48Å; V280-S284 PolarHBondContact O-N 3.34Å; V280-S284 PolarHBondContact O-OG 2.96Å; V281-S284 PolarHBondContact O-N 3.16Å; S284-G287 CarbonylContact C-O 3.45Å; S284-Y453 VanDerWaalsContact O-CD2 3.29Å; S284-Y453 WeakPolarHBondContact O-CD2 3.4Å
285M85.6Confident86.1Confident111 Ų11149 Ų4955%0.54727%0.267SS..Hα-helixtrans-78.8-39.5173.7178-177.7165.700111.5V281 A282 V283 L457V281-M285 WeakPolarHBondContact O-CB 3.16Å; V281-M285 PolarHBondContact O-N 3.49Å; A282-M285 PolarHBondContact O-N 3.11Å; V283-M285 VanDerWaalsContact C-N 3.26Å; V283-M285 PolarHBondContact O-N 3.39Å; M285-L457 HydrophobicContact SD-CD2 4.42Å
286L86.8Confident85.6Confident152 Ų15249.6 Ų49.680%0.79627%0.269SS*.Hα-helixtrans-84-33.1-177.6-66174000113A282 V283A282-L286 WeakPolarHBondContact O-CG 3.44Å; A282-L286 PolarHBondContact O-N 3.4Å; V283-L286 PolarHBondContact O-N 3.33Å
287G79Confident85.3Confident26 Ų2651.7 Ų51.727%0.26828%0.279SS..SBendtrans-105.1135.617700000110.1V283 S284 L289V283-G287 WeakPolarHBondContact O-CA 3.31Å; V283-G287 PolarHBondContact O-N 2.75Å; S284-G287 CarbonylContact C-O 3.45Å; G287-L289 PolarHBondContact O-N 3.46Å
288E74.8Confident85Confident107 Ų10750.9 Ų50.950%0.528%0.279SS..  trans-73.554.3174.8-60.1-179.2143.300110.9Y290 M291E288-Y290 HydrophobicContact CB-CD1 4.28Å; E288-Y290 HydrophobicContact CB-CE1 3.7Å; E288-Y290 HydrophobicContact CG-CE1 3.99Å; E288-Y290 PolarHBondContact O-N 3.49Å; E288-M291 HydrophobicContact CB-CE 4.06Å; E288-M291 HydrophobicContact CB-CG 3.97Å; E288-M291 HydrophobicContact CB-SD 3.91Å; E288-M291 VanDerWaalsContact CD-CE 3.49Å; E288-M291 HydrophobicContact CG-CE 4.34Å; E288-M291 WeakPolarHBondContact O-CB 3.44Å; E288-M291 WeakPolarHBondContact O-CG 3.45Å; E288-M291 PolarHBondContact O-N 3.06Å; E288-M291 WeakPolarHBondContact OE2-CE 3.18Å
289L77Confident84.9Confident27 Ų2750 Ų5014%0.14128%0.276CS..G310 helixtrans-60.7-18.2-175.7-67.5-177.7000112.8V283 G287 M291 Q292 S295 I296 T299V283-L289 HydrophobicContact CG1-CD1 4.07Å; G287-L289 PolarHBondContact O-N 3.46Å; L289-M291 PolarHBondContact O-N 3.2Å; L289-Q292 PolarHBondContact O-N 3.43Å; L289-S295 WeakPolarHBondContact CD2-OG 3.43Å; L289-I296 HydrophobicContact CB-CG1 4.23Å; L289-T299 HydrophobicContact CD1-CG2 4.27Å
290Y75.5Confident84.9Confident45 Ų4550.4 Ų50.418%0.17628%0.275CS..G310 helixtrans-68.1-16.9174.667.1-92.8000113.2F180 L184 E288 Q292 Y453F180-Y290 HydrophobicContact CB-CE2 4.08Å; L184-Y290 HydrophobicContact CD1-CE2 4.14Å; L184-Y290 HydrophobicContact CD2-CD2 4.28Å; L184-Y290 HydrophobicContact CD2-CE2 4.44Å; E288-Y290 HydrophobicContact CB-CD1 4.28Å; E288-Y290 HydrophobicContact CB-CE1 3.7Å; E288-Y290 HydrophobicContact CG-CE1 3.99Å; E288-Y290 PolarHBondContact O-N 3.49Å; Y290-Q292 VanDerWaalsContact C-N 3.34Å; Y290-Y453 HydrophobicContact CD1-CE2 4.43Å
291M73.5Confident84.9Confident39 Ų3951.5 Ų51.519%0.19228%0.281CS..G310 helixtrans-75.3-22.1178.9-65.7-170.217000113.4S177 F180 E288 L289S177-M291 WeakPolarHBondContact O-CE 3.2Å; F180-M291 HydrophobicContact CD2-CB 4.14Å; F180-M291 HydrophobicContact CD2-CE 4.3Å; F180-M291 HydrophobicContact CD2-CG 3.72Å; F180-M291 HydrophobicContact CD2-SD 4.22Å; F180-M291 HydrophobicContact CE2-CB 3.82Å; F180-M291 HydrophobicContact CE2-CG 3.92Å; F180-M291 HydrophobicContact CE2-SD 4.44Å; F180-M291 HydrophobicContact CG-CG 4.43Å; F180-M291 HydrophobicContact CZ-CB 4.37Å; F180-M291 WeakPolarHBondContact CZ-O 3.19Å; E288-M291 HydrophobicContact CB-CE 4.06Å; E288-M291 HydrophobicContact CB-CG 3.97Å; E288-M291 HydrophobicContact CB-SD 3.91Å; E288-M291 VanDerWaalsContact CD-CE 3.49Å; E288-M291 HydrophobicContact CG-CE 4.34Å; E288-M291 WeakPolarHBondContact O-CB 3.44Å; E288-M291 WeakPolarHBondContact O-CG 3.45Å; E288-M291 PolarHBondContact O-N 3.06Å; E288-M291 WeakPolarHBondContact OE2-CE 3.18Å; L289-M291 PolarHBondContact O-N 3.2Å
292Q77.3Confident84.9Confident129 Ų12958.4 Ų58.460%0.60331%0.31SS*.SBendtrans-112.8135.9-177.7-72.3-177.7-8.400111.7L289 Y290L289-Q292 PolarHBondContact O-N 3.43Å; Y290-Q292 VanDerWaalsContact C-N 3.34Å
293R75.4Confident85.1Confident36 Ų3657.1 Ų57.114%0.13630%0.3CS..THydrogen-bonded Turntrans-66.5138178.1-63173.1-70.3-162.6-8110.5Y45 E51 F102 D105 S295Y45-R293 PolarHBondContact OH-NH2 2.65Å; E51-R293 HydrophobicContact CG-CB 3.93Å; E51-R293 WeakPolarHBondContact OE1-CB 3.33Å; E51-R293 IonicContact OE1-CZ 2.99Å; E51-R293 IonicContact OE1-NE 3.05Å; E51-R293 PolarHBondContact OE1-NE 3.35Å; F102-R293 HydrophobicContact CE1-CG 4.33Å; F102-R293 HydrophobicContact CZ-CG 4.49Å; D105-R293 IonicContact OD1-CZ 3.54Å; D105-R293 IonicContact OD1-NE 3.99Å; D105-R293 IonicContact OD1-NH2 3.43Å; D105-R293 PolarHBondContact OD1-NH2 3.47Å; R293-S295 PolarHBondContact O-N 3.33Å
294G80.3Confident85.4Confident9 Ų955.6 Ų55.69%0.09329%0.287CS..THydrogen-bonded Turntrans66.6-4177.400000116I296 L297 G298G294-I296 PolarHBondContact O-N 3.41Å; G294-L297 PolarHBondContact O-N 2.91Å; G294-L297 VanDerWaalsContact O-N 3.16Å; G294-G298 PolarHBondContact O-N 3.11Å
295S85.8Confident85.7Confident21 Ų2155.8 Ų55.815%0.14729%0.289CS..Hα-helixtrans-64-39.6-172.6-171.80000112.8L289 R293 L297 G298 T299L289-S295 WeakPolarHBondContact CD2-OG 3.43Å; R293-S295 PolarHBondContact O-N 3.33Å; S295-L297 PolarHBondContact O-N 2.89Å; S295-G298 PolarHBondContact O-N 2.72Å; S295-T299 VanDerWaalsContact O-CB 3.28Å; S295-T299 WeakPolarHBondContact O-CB 3.23Å; S295-T299 PolarHBondContact O-N 3.39Å; S295-T299 PolarHBondContact O-OG1 2.9Å
296I88.1Confident86.2Confident59 Ų5952.8 Ų52.830%0.30328%0.282SS..Hα-helixtrans-61-45.5175.4-60.6170.1000110.7L289 G294 T299 I300 Y453L289-I296 HydrophobicContact CB-CG1 4.23Å; G294-I296 PolarHBondContact O-N 3.41Å; I296-T299 PolarHBondContact O-N 2.91Å; I296-I300 HydrophobicContact CG2-CD1 3.92Å; I296-I300 VanDerWaalsContact O-CG1 3.25Å; I296-I300 WeakPolarHBondContact O-CG1 3.43Å; I296-I300 PolarHBondContact O-N 3.01Å; I296-Y453 WeakPolarHBondContact CD1-OH 3.31Å
297L89.4Confident86.7Confident53 Ų5347.4 Ų47.428%0.27725%0.254SS..Hα-helixtrans-66.4-44.6-179.8-176.663.1000111.4L53 L54 G294 S295 T299 I300 I301L53-L297 HydrophobicContact CB-CD2 3.52Å; L53-L297 HydrophobicContact CD1-CD2 4.03Å; L53-L297 HydrophobicContact CD1-CG 4.49Å; L53-L297 HydrophobicContact CG-CD2 4.45Å; L54-L297 HydrophobicContact CD2-CD2 4.33Å; L54-L297 HydrophobicContact CG-CD2 4.24Å; G294-L297 PolarHBondContact O-N 2.91Å; G294-L297 VanDerWaalsContact O-N 3.16Å; S295-L297 PolarHBondContact O-N 2.89Å; L297-T299 VanDerWaalsContact C-N 3.32Å; L297-T299 PolarHBondContact O-N 3.21Å; L297-I300 PolarHBondContact O-N 3.46Å; L297-I301 HydrophobicContact CG-CD1 4.27Å; L297-I301 WeakPolarHBondContact O-CG1 3.19Å; L297-I301 PolarHBondContact O-N 2.91Å
298G90.2Very high87.6Confident24 Ų2446.2 Ų46.225%0.24724%0.241CC..Hα-helixtrans-59.6-42.7174.200000112.2G294 S295 I300 I301 F302G294-G298 PolarHBondContact O-N 3.11Å; S295-G298 PolarHBondContact O-N 2.72Å; G298-I300 PolarHBondContact O-N 3.32Å; G298-I301 PolarHBondContact O-N 3.18Å; G298-F302 WeakPolarHBondContact O-CB 3Å; G298-F302 PolarHBondContact O-N 2.72Å
299T91.9Very high88.7Confident31 Ų3143.1 Ų43.119%0.1923%0.23CC..Hα-helixtrans-63.2-41.1176.2-58.10000111.5V283 L289 S295 I296 L297 F302 A303V283-T299 HydrophobicContact CG1-CG2 4.45Å; L289-T299 HydrophobicContact CD1-CG2 4.27Å; S295-T299 VanDerWaalsContact O-CB 3.28Å; S295-T299 WeakPolarHBondContact O-CB 3.23Å; S295-T299 PolarHBondContact O-N 3.39Å; S295-T299 PolarHBondContact O-OG1 2.9Å; I296-T299 PolarHBondContact O-N 2.91Å; L297-T299 VanDerWaalsContact C-N 3.32Å; L297-T299 PolarHBondContact O-N 3.21Å; T299-F302 PolarHBondContact O-N 3.41Å; T299-A303 WeakPolarHBondContact O-CB 3.5Å; T299-A303 PolarHBondContact O-N 3.48Å
300I94.3Very high89.7Confident70 Ų7043.8 Ų43.836%0.35924%0.236SC..Hα-helixtrans-61.3-48.2175.4-71.2163.7000110.9V280 I296 L297 G298 A303 Y304V280-I300 HydrophobicContact CG1-CG1 3.8Å; V280-I300 HydrophobicContact CG2-CG1 4.05Å; I296-I300 HydrophobicContact CG2-CD1 3.92Å; I296-I300 VanDerWaalsContact O-CG1 3.25Å; I296-I300 WeakPolarHBondContact O-CG1 3.43Å; I296-I300 PolarHBondContact O-N 3.01Å; L297-I300 PolarHBondContact O-N 3.46Å; G298-I300 PolarHBondContact O-N 3.32Å; I300-A303 PolarHBondContact O-N 3.18Å; I300-Y304 WeakPolarHBondContact O-CB 3.23Å; I300-Y304 PolarHBondContact O-N 3.48Å
301I93.6Very high90.7Very high35 Ų3541.8 Ų41.818%0.17923%0.228CC..Hα-helixtrans-62.3-46.5-179.3-66.4167.3000110.3L49 L53 L297 G298 Y304 A305 I373L49-I301 HydrophobicContact CD2-CD1 4.28Å; L49-I301 HydrophobicContact CD2-CG2 4.48Å; L53-I301 HydrophobicContact CD1-CD1 3.42Å; L53-I301 VanDerWaalsContact CD1-CD1 3.42Å; L297-I301 HydrophobicContact CG-CD1 4.27Å; L297-I301 WeakPolarHBondContact O-CG1 3.19Å; L297-I301 PolarHBondContact O-N 2.91Å; G298-I301 PolarHBondContact O-N 3.18Å; I301-Y304 PolarHBondContact O-N 3.46Å; I301-A305 WeakPolarHBondContact O-CB 3.3Å; I301-A305 PolarHBondContact O-N 3.48Å; I301-I373 HydrophobicContact CG2-CD1 4.08Å
302F93.4Very high91.8Very high151 Ų15140 Ų4066%0.66222%0.22SC*.Hα-helixtrans-62.8-49.4178.1178.1-98.6000112G298 T299 Y304 A305 A306G298-F302 WeakPolarHBondContact O-CB 3Å; G298-F302 PolarHBondContact O-N 2.72Å; T299-F302 PolarHBondContact O-N 3.41Å; F302-Y304 VanDerWaalsContact C-N 3.33Å; F302-Y304 PolarHBondContact O-N 3.03Å; F302-A305 PolarHBondContact O-N 3.43Å; F302-A306 WeakPolarHBondContact O-CB 3.33Å; F302-A306 PolarHBondContact O-N 2.87Å
303A95.6Very high92.8Very high8 Ų838.5 Ų38.57%0.06621%0.209CC..Hα-helixtrans-62.2-41178.800000111.5V276 V280 T299 I300 A305 A306 L307V276-A303 HydrophobicContact CG1-CB 4.37Å; V280-A303 HydrophobicContact CG2-CB 3.78Å; T299-A303 WeakPolarHBondContact O-CB 3.5Å; T299-A303 PolarHBondContact O-N 3.48Å; I300-A303 PolarHBondContact O-N 3.18Å; A303-A305 PolarHBondContact O-N 3.31Å; A303-A306 PolarHBondContact O-N 3.29Å; A303-L307 HydrophobicContact CB-CD1 4.48Å; A303-L307 WeakPolarHBondContact O-CB 3.22Å; A303-L307 WeakPolarHBondContact O-CD1 3.14Å; A303-L307 VanDerWaalsContact O-CG 3.3Å; A303-L307 WeakPolarHBondContact O-CG 3.3Å; A303-L307 PolarHBondContact O-N 2.93Å
304Y96.5Very high93.8Very high30 Ų3037.5 Ų37.512%0.11821%0.209CC..Hα-helixtrans-60.7-44.9175.4-171-94.4000111.5H272 V276 I300 I301 F302 S308 L338 P339 I378H272-Y304 AromaticContact CE1-CD1 3.87Å; H272-Y304 AromaticContact CE1-CD2 3.45Å; H272-Y304 VanDerWaalsContact CE1-CD2 3.45Å; H272-Y304 WeakPolarHBondContact CE1-CD2 3.41Å; H272-Y304 AromaticContact CE1-CE1 3.66Å; H272-Y304 AromaticContact CE1-CE2 3.19Å; H272-Y304 WeakPolarHBondContact CE1-CE2 3.34Å; H272-Y304 AromaticContact CE1-CG 3.77Å; H272-Y304 AromaticContact CE1-CZ 3.3Å; H272-Y304 PolarHBondContact CE1-O 3.45Å; H272-Y304 VanDerWaalsContact CE1-O 3.23Å; H272-Y304 AromaticContact ND1-CE2 3.44Å; H272-Y304 WeakPolarHBondContact ND1-CE2 3.42Å; H272-Y304 AromaticContact ND1-CZ 3.58Å; H272-Y304 AromaticContact NE2-CD2 3.76Å; H272-Y304 AromaticContact NE2-CE2 3.92Å; H272-Y304 PolarHBondContact NE2-O 3.12Å; V276-Y304 HydrophobicContact CG2-CD2 4.15Å; I300-Y304 WeakPolarHBondContact O-CB 3.23Å; I300-Y304 PolarHBondContact O-N 3.48Å; I301-Y304 PolarHBondContact O-N 3.46Å; F302-Y304 VanDerWaalsContact C-N 3.33Å; F302-Y304 PolarHBondContact O-N 3.03Å; Y304-S308 PolarHBondContact O-N 3.1Å; Y304-L338 HydrophobicContact CE2-CD2 3.83Å; Y304-P339 HydrophobicContact CE1-CG 3.98Å; Y304-I378 HydrophobicContact CD1-CD1 3.79Å; Y304-I378 HydrophobicContact CE1-CD1 3.84Å
305A96.1Very high94.6Very high8 Ų837.1 Ų37.17%0.06620%0.204CC..Hα-helixtrans-65.6-48177.400000112.4I301 F302 A303 L307 S308 I373 V377 I378I301-A305 WeakPolarHBondContact O-CB 3.3Å; I301-A305 PolarHBondContact O-N 3.48Å; F302-A305 PolarHBondContact O-N 3.43Å; A303-A305 PolarHBondContact O-N 3.31Å; A305-L307 PolarHBondContact O-N 2.87Å; A305-S308 WeakPolarHBondContact O-CB 3.32Å; A305-S308 PolarHBondContact O-N 3.34Å; A305-S308 PolarHBondContact O-OG 3.47Å; A305-I373 HydrophobicContact CB-CG2 3.97Å; A305-V377 HydrophobicContact CB-CG1 4Å; A305-I378 HydrophobicContact CB-CG1 4.16Å
306A96.4Very high95.1Very high48 Ų4836.1 Ų36.140%0.39720%0.197SC..Hα-helixtrans-64.1-36.6-179.100000113F302 A303 S308 P309F302-A306 WeakPolarHBondContact O-CB 3.33Å; F302-A306 PolarHBondContact O-N 2.87Å; A303-A306 PolarHBondContact O-N 3.29Å; A306-S308 VanDerWaalsContact C-N 3.34Å; A306-P309 VanDerWaalsContact O-CD 3.3Å; A306-P309 WeakPolarHBondContact O-CD 3.49Å
307L97.5Very high95.5Very high40 Ų4033.7 Ų33.721%0.20919%0.186CC..THydrogen-bonded Turntrans-89.45.3-178.5-64.6166.7000113.9H272 V275 V276 V279 A303 A305 P309 V310H272-L307 PolarHBondContact CD2-O 3.34Å; H272-L307 VanDerWaalsContact CD2-O 3.23Å; V275-L307 HydrophobicContact CG1-CD1 4.05Å; V275-L307 HydrophobicContact CG1-CD2 4.1Å; V276-L307 HydrophobicContact CB-CD1 4.37Å; V276-L307 HydrophobicContact CG2-CB 4Å; V276-L307 HydrophobicContact CG2-CD1 3.74Å; V279-L307 HydrophobicContact CB-CD1 4.12Å; V279-L307 HydrophobicContact CG1-CD1 4.43Å; V279-L307 HydrophobicContact CG2-CD1 4.05Å; A303-L307 HydrophobicContact CB-CD1 4.48Å; A303-L307 WeakPolarHBondContact O-CB 3.22Å; A303-L307 WeakPolarHBondContact O-CD1 3.14Å; A303-L307 VanDerWaalsContact O-CG 3.3Å; A303-L307 WeakPolarHBondContact O-CG 3.3Å; A303-L307 PolarHBondContact O-N 2.93Å; A305-L307 PolarHBondContact O-N 2.87Å; L307-P309 VanDerWaalsContact C-N 3.28Å; L307-V310 VanDerWaalsContact O-CB 3.3Å; L307-V310 WeakPolarHBondContact O-CB 3.23Å; L307-V310 WeakPolarHBondContact O-CG2 3.5Å; L307-V310 PolarHBondContact O-N 2.91Å
308S97.1Very high95.8Very high0 Ų032 Ų320%018%0.177CC..Hα-helixtrans-56.1-26.6177.260.20000116H272 Y304 A305 A306 V310 N311 G312 L381H272-S308 PolarHBondContact NE2-N 2.71Å; Y304-S308 PolarHBondContact O-N 3.1Å; A305-S308 WeakPolarHBondContact O-CB 3.32Å; A305-S308 PolarHBondContact O-N 3.34Å; A305-S308 PolarHBondContact O-OG 3.47Å; A306-S308 VanDerWaalsContact C-N 3.34Å; S308-V310 PolarHBondContact O-N 3.03Å; S308-V310 VanDerWaalsContact O-N 3.16Å; S308-N311 WeakPolarHBondContact O-CB 3.48Å; S308-N311 PolarHBondContact O-N 3.16Å; S308-N311 VanDerWaalsContact O-N 3.11Å; S308-G312 PolarHBondContact O-N 3.06Å; S308-L381 WeakPolarHBondContact OG-CB 3.33Å
309P97.6Very high96.1Very high42 Ų4231.1 Ų31.127%0.27317%0.166SC..Hα-helixtrans-59.2-26.2171.9-2536000113.7A306 L307 N311 G312 Y313 L381 G385A306-P309 VanDerWaalsContact O-CD 3.3Å; A306-P309 WeakPolarHBondContact O-CD 3.49Å; L307-P309 VanDerWaalsContact C-N 3.28Å; P309-N311 VanDerWaalsContact C-N 3.34Å; P309-N311 PolarHBondContact O-N 3.43Å; P309-G312 PolarHBondContact O-N 3.41Å; P309-Y313 WeakPolarHBondContact O-CB 3.38Å; P309-Y313 PolarHBondContact O-N 2.79Å; P309-L381 HydrophobicContact CG-CB 3.98Å; P309-L381 HydrophobicContact CG-CD2 4.3Å; P309-L381 HydrophobicContact CG-CG 4.32Å; P309-G385 WeakPolarHBondContact O-CA 3.42Å
310V97.8Very high96.3Very high42 Ų4230.6 Ų30.626%0.25517%0.165SC..Hα-helixtrans-63.5-41.1176.7178.90000111C271 V275 L307 S308 Y313 A314C271-V310 HydrophobicContact CB-CG1 4.2Å; V275-V310 HydrophobicContact CG2-CG1 4.18Å; L307-V310 VanDerWaalsContact O-CB 3.3Å; L307-V310 WeakPolarHBondContact O-CB 3.23Å; L307-V310 WeakPolarHBondContact O-CG2 3.5Å; L307-V310 PolarHBondContact O-N 2.91Å; S308-V310 PolarHBondContact O-N 3.03Å; S308-V310 VanDerWaalsContact O-N 3.16Å; V310-Y313 PolarHBondContact O-N 2.64Å; V310-A314 WeakPolarHBondContact O-CB 3.26Å; V310-A314 PolarHBondContact O-N 3.41Å
311N97.5Very high96.3Very high2 Ų232.1 Ų32.11%0.01117%0.166CC..Hα-helixtrans-60.2-52.4176.5-173.6-6.3000110.4G268 T269 H272 S308 P309 Y313 G315 G334G268-N311 VanDerWaalsContact C-OD1 3.26Å; T269-N311 PolarHBondContact N-OD1 3.41Å; H272-N311 HydrophobicContact CB-CB 3.76Å; S308-N311 WeakPolarHBondContact O-CB 3.48Å; S308-N311 PolarHBondContact O-N 3.16Å; S308-N311 VanDerWaalsContact O-N 3.11Å; P309-N311 VanDerWaalsContact C-N 3.34Å; P309-N311 PolarHBondContact O-N 3.43Å; N311-Y313 PolarHBondContact O-N 3.33Å; N311-G315 PolarHBondContact O-N 3.23Å; N311-G334 PolarHBondContact ND2-O 2.97Å
312G96.7Very high96.3Very high2 Ų231.3 Ų31.32%0.02116%0.161CC..Hα-helixtrans-57.4-46.8177.200000112.4S308 P309 G316 S382 G385 T386S308-G312 PolarHBondContact O-N 3.06Å; P309-G312 PolarHBondContact O-N 3.41Å; G312-G316 VanDerWaalsContact O-CA 3.3Å; G312-G316 WeakPolarHBondContact O-CA 3.34Å; G312-G316 PolarHBondContact O-N 3.38Å; G312-S382 WeakPolarHBondContact CA-O 3.09Å; G312-G385 CarbonylContact C-O 3.56Å; G312-T386 VanDerWaalsContact CA-OG1 3.28Å; G312-T386 WeakPolarHBondContact CA-OG1 3.44Å; G312-T386 VanDerWaalsContact O-CA 3.3Å; G312-T386 WeakPolarHBondContact O-CA 3.06Å
313Y97.6Very high96.2Very high97 Ų9726.7 Ų26.738%0.3816%0.156SC..Hα-helixtrans-64-52.1-178.4-178-85.2000112.3P309 V310 N311 S317 G385 L388 S393P309-Y313 WeakPolarHBondContact O-CB 3.38Å; P309-Y313 PolarHBondContact O-N 2.79Å; V310-Y313 PolarHBondContact O-N 2.64Å; N311-Y313 PolarHBondContact O-N 3.33Å; Y313-S317 WeakPolarHBondContact O-CB 3.31Å; Y313-S317 PolarHBondContact O-N 2.87Å; Y313-S317 PolarHBondContact O-OG 3.33Å; Y313-G385 WeakPolarHBondContact CA-O 3.38Å; Y313-G385 VanDerWaalsContact N-C 3.32Å; Y313-G385 PolarHBondContact N-O 3.15Å; Y313-L388 HydrophobicContact CD2-CB 4.28Å; Y313-S393 PolarHBondContact OH-OG 3.25Å; Y313-S393 VanDerWaalsContact OH-OG 3.14Å
314A96.9Very high96Very high16 Ų1626.4 Ų26.413%0.13216%0.155CC..Hα-helixtrans-68.7-45.1-177.200000112.1C271 V310 S317 L318C271-A314 HydrophobicContact CB-CB 3.82Å; V310-A314 WeakPolarHBondContact O-CB 3.26Å; V310-A314 PolarHBondContact O-N 3.41Å; A314-S317 PolarHBondContact O-OG 3.15Å; A314-S317 VanDerWaalsContact O-OG 3.09Å; A314-L318 VanDerWaalsContact O-CB 3.31Å; A314-L318 WeakPolarHBondContact O-CB 3.33Å; A314-L318 PolarHBondContact O-N 3.12Å
315G96.9Very high95.7Very high0 Ų036 Ų360%019%0.19CC..Hα-helixtrans-70.5-43.4178.800000112.8A264 N311 L318 Y319A264-G315 WeakPolarHBondContact O-CA 3.38Å; N311-G315 PolarHBondContact O-N 3.23Å; G315-L318 PolarHBondContact O-N 2.84Å; G315-Y319 VanDerWaalsContact O-CB 3.32Å; G315-Y319 WeakPolarHBondContact O-CB 3.46Å; G315-Y319 PolarHBondContact O-N 3.43Å
316G96.9Very high95.7Very high0 Ų042.7 Ų42.70%021%0.214CC..Hα-helixtrans-65.8-43.5-179.400000113.1G312 A320 R390G312-G316 VanDerWaalsContact O-CA 3.3Å; G312-G316 WeakPolarHBondContact O-CA 3.34Å; G312-G316 PolarHBondContact O-N 3.38Å; G316-A320 WeakPolarHBondContact O-CB 3.36Å; G316-A320 PolarHBondContact O-N 2.75Å; G316-R390 VanDerWaalsContact O-CG 3.32Å; G316-R390 WeakPolarHBondContact O-CG 3.47Å
317S96Very high95.6Very high9 Ų944.3 Ų44.36%0.06321%0.21CC..Hα-helixtrans-64.1-45.6175.760.60000111.9Y313 A314 Y319 A320 R321 G389 S393Y313-S317 WeakPolarHBondContact O-CB 3.31Å; Y313-S317 PolarHBondContact O-N 2.87Å; Y313-S317 PolarHBondContact O-OG 3.33Å; A314-S317 PolarHBondContact O-OG 3.15Å; A314-S317 VanDerWaalsContact O-OG 3.09Å; S317-Y319 PolarHBondContact O-N 3.26Å; S317-A320 PolarHBondContact O-N 3.48Å; S317-R321 WeakPolarHBondContact O-CG 3.33Å; S317-R321 PolarHBondContact O-N 2.86Å; S317-G389 VanDerWaalsContact CB-O 3.25Å; S317-G389 WeakPolarHBondContact CB-O 3.31Å; S317-S393 WeakPolarHBondContact CB-OG 3.43Å
318L95.8Very high95.5Very high16 Ų1646.5 Ų46.58%0.08422%0.221CC..Hα-helixtrans-64.9-41.6179.6-173.360.8000112.1F263 A264 V267 A314 G315 A320 R321 F322 F544F263-L318 HydrophobicContact CD1-CD2 4.4Å; F263-L318 HydrophobicContact CE1-CD2 4.32Å; A264-L318 HydrophobicContact CB-CB 4.45Å; A264-L318 HydrophobicContact CB-CG 4.46Å; V267-L318 HydrophobicContact CB-CD2 3.77Å; V267-L318 HydrophobicContact CG1-CD2 3.67Å; V267-L318 HydrophobicContact CG2-CD2 4.03Å; A314-L318 VanDerWaalsContact O-CB 3.31Å; A314-L318 WeakPolarHBondContact O-CB 3.33Å; A314-L318 PolarHBondContact O-N 3.12Å; G315-L318 PolarHBondContact O-N 2.84Å; L318-A320 VanDerWaalsContact C-N 3.34Å; L318-A320 PolarHBondContact O-N 3.3Å; L318-R321 PolarHBondContact O-N 3.37Å; L318-F322 HydrophobicContact CD1-CE1 3.71Å; L318-F322 HydrophobicContact CD1-CE2 4Å; L318-F322 HydrophobicContact CD1-CZ 3.42Å; L318-F322 VanDerWaalsContact CD1-CZ 3.42Å; L318-F322 HydrophobicContact CD2-CE2 4.17Å; L318-F322 HydrophobicContact CD2-CZ 4.15Å; L318-F322 HydrophobicContact CG-CD2 4.4Å; L318-F322 HydrophobicContact CG-CE1 4.31Å; L318-F322 HydrophobicContact CG-CE2 3.69Å; L318-F322 HydrophobicContact CG-CZ 3.65Å; L318-F322 WeakPolarHBondContact O-CG 3.32Å; L318-F322 PolarHBondContact O-N 3.02Å; L318-F544 HydrophobicContact CD1-CE1 4.12Å; L318-F544 HydrophobicContact CD1-CZ 4.11Å; L318-F544 HydrophobicContact CD2-CE1 3.67Å; L318-F544 HydrophobicContact CD2-CZ 4.17Å
319Y96.8Very high95.5Very high7 Ų753.6 Ų53.63%0.02725%0.248CC..Hα-helixtrans-65.3-37.1176.4-172.9-112.5000112.6Q260 L261 A264 G315 S317 F322 G324 Q330Q260-Y319 HydrophobicContact CG-CE2 4.1Å; L261-Y319 HydrophobicContact CB-CE2 4.2Å; L261-Y319 HydrophobicContact CD1-CE2 3.93Å; A264-Y319 HydrophobicContact CB-CD2 4.19Å; A264-Y319 HydrophobicContact CB-CG 4.45Å; G315-Y319 VanDerWaalsContact O-CB 3.32Å; G315-Y319 WeakPolarHBondContact O-CB 3.46Å; G315-Y319 PolarHBondContact O-N 3.43Å; S317-Y319 PolarHBondContact O-N 3.26Å; Y319-F322 PolarHBondContact O-N 2.95Å; Y319-G324 VanDerWaalsContact CE1-CA 3.43Å; Y319-G324 WeakPolarHBondContact CE1-O 3.4Å; Y319-G324 WeakPolarHBondContact O-CA 3.37Å; Y319-G324 PolarHBondContact O-N 2.91Å; Y319-Q330 HydrophobicContact CD1-CB 3.8Å; Y319-Q330 HydrophobicContact CD1-CG 4.05Å; Y319-Q330 HydrophobicContact CD2-CB 4.44Å; Y319-Q330 HydrophobicContact CD2-CG 4.15Å; Y319-Q330 HydrophobicContact CE1-CB 4.08Å; Y319-Q330 HydrophobicContact CG-CB 4.01Å; Y319-Q330 HydrophobicContact CG-CG 3.75Å
320A95.5Very high95.4Very high20 Ų2051.6 Ų51.617%0.16524%0.235CC..Hα-helixtrans-63-44.1172.800000111.7G316 S317 L318 F322 G323 R390 G394G316-A320 WeakPolarHBondContact O-CB 3.36Å; G316-A320 PolarHBondContact O-N 2.75Å; S317-A320 PolarHBondContact O-N 3.48Å; L318-A320 VanDerWaalsContact C-N 3.34Å; L318-A320 PolarHBondContact O-N 3.3Å; A320-F322 PolarHBondContact O-N 2.71Å; A320-G323 PolarHBondContact O-N 3.44Å; A320-R390 HydrophobicContact CB-CG 4.23Å; A320-G394 CarbonylContact C-O 3.46Å
321R93.8Very high95.4Very high101 Ų10150.1 Ų50.138%0.38123%0.225SC..Hα-helixtrans-60.5-31.8177.4-70.6174.4-173.6-178.12.5113.3S317 L318 G323 S393 G394 A396 Y398S317-R321 WeakPolarHBondContact O-CG 3.33Å; S317-R321 PolarHBondContact O-N 2.86Å; L318-R321 PolarHBondContact O-N 3.37Å; R321-G323 PolarHBondContact O-N 3.4Å; R321-S393 VanDerWaalsContact CZ-O 3.31Å; R321-S393 PolarHBondContact NE-O 3.37Å; R321-S393 PolarHBondContact NH2-O 2.89Å; R321-G394 PolarHBondContact N-O 2.98Å; R321-A396 HydrophobicContact CB-CB 4.42Å; R321-Y398 PolarHBondContact O-OH 2.99Å
322F93.5Very high95.3Very high18 Ų1854.9 Ų54.98%0.07925%0.246CC..THydrogen-bonded Turntrans-78.1-1.7175.7-62.4-19.9000114.2P256 P257 Q260 F263 L318 Y319 A320 F544P256-F322 HydrophobicContact CB-CB 4.1Å; P256-F322 HydrophobicContact CB-CG 4.43Å; P257-F322 HydrophobicContact CG-CD2 4.16Å; P257-F322 HydrophobicContact CG-CE2 3.74Å; P257-F322 HydrophobicContact CG-CZ 4.16Å; Q260-F322 HydrophobicContact CB-CB 4.42Å; Q260-F322 HydrophobicContact CB-CD2 4.08Å; Q260-F322 PolarHBondContact OE1-O 2.82Å; F263-F322 AromaticContact CD1-CE2 3.82Å; F263-F322 HydrophobicContact CD1-CE2 3.82Å; F263-F322 HydrophobicContact CD1-CZ 4.21Å; F263-F322 HydrophobicContact CE1-CE2 4.32Å; F263-F322 HydrophobicContact CE1-CZ 4.25Å; L318-F322 HydrophobicContact CD1-CE1 3.71Å; L318-F322 HydrophobicContact CD1-CE2 4Å; L318-F322 HydrophobicContact CD1-CZ 3.42Å; L318-F322 VanDerWaalsContact CD1-CZ 3.42Å; L318-F322 HydrophobicContact CD2-CE2 4.17Å; L318-F322 HydrophobicContact CD2-CZ 4.15Å; L318-F322 HydrophobicContact CG-CD2 4.4Å; L318-F322 HydrophobicContact CG-CE1 4.31Å; L318-F322 HydrophobicContact CG-CE2 3.69Å; L318-F322 HydrophobicContact CG-CZ 3.65Å; L318-F322 WeakPolarHBondContact O-CG 3.32Å; L318-F322 PolarHBondContact O-N 3.02Å; Y319-F322 PolarHBondContact O-N 2.95Å; A320-F322 PolarHBondContact O-N 2.71Å; F322-F544 HydrophobicContact CZ-CZ 4.44Å
323G91.2Very high95.3Very high54 Ų5456.8 Ų56.856%0.55726%0.257SS*.THydrogen-bonded Turntrans81.718.6-176.300000113.6A320 R321 R325A320-G323 PolarHBondContact O-N 3.44Å; R321-G323 PolarHBondContact O-N 3.4Å; G323-R325 PolarHBondContact O-N 3.42Å
324G91.3Very high95.2Very high3 Ų352.2 Ų52.23%0.03124%0.24CC..  trans-68.4115.6178.400000113.1Y319Y319-G324 VanDerWaalsContact CE1-CA 3.43Å; Y319-G324 WeakPolarHBondContact CE1-O 3.4Å; Y319-G324 WeakPolarHBondContact O-CA 3.37Å; Y319-G324 PolarHBondContact O-N 2.91Å
325R91.4Very high95.1Very high230 Ų23052.1 Ų52.187%0.86824%0.238SC*.  trans-84.3-33.5-179.7-62.7-175.2-176.6-110.51.7114G323 W327G323-R325 PolarHBondContact O-N 3.42Å; R325-W327 VanDerWaalsContact C-N 3.28Å; R325-W327 PolarHBondContact O-N 3.23Å
326R94.8Very high95Very high150 Ų15054.1 Ų54.157%0.56625%0.252SS*.  trans-86.661.3-174-66.2-177.1-68-174.2-4.7112I328 R329 Q330R326-I328 PolarHBondContact O-N 3.11Å; R326-R329 HydrophobicContact CB-CB 4.42Å; R326-R329 HydrophobicContact CB-CG 4.43Å; R326-R329 VanDerWaalsContact NH1-NH1 3.16Å; R326-R329 PolarHBondContact O-N 3.49Å; R326-Q330 PolarHBondContact O-N 3.16Å
327W94.6Very high94.9Very high82 Ų8256.5 Ų56.531%0.31127%0.265SS..Hα-helixtrans-67.2-33.2-170.865-93.1000114.3R325 R329 Q330 M331 L383 T386R325-W327 VanDerWaalsContact C-N 3.28Å; R325-W327 PolarHBondContact O-N 3.23Å; W327-R329 VanDerWaalsContact C-N 3.28Å; W327-R329 PolarHBondContact O-N 3.31Å; W327-Q330 WeakPolarHBondContact O-CB 3.27Å; W327-Q330 PolarHBondContact O-N 3.5Å; W327-M331 PolarHBondContact O-N 3.01Å; W327-L383 HydrophobicContact CH2-CD1 4.41Å; W327-L383 HydrophobicContact CZ3-CD1 3.99Å; W327-T386 HydrophobicContact CE3-CG2 4.13Å
328I96.4Very high94.9Very high85 Ų8556.8 Ų56.844%0.43627%0.266SS..Hα-helixtrans-60.1-41.7175.1-62.3172.3000110.3R326 Q330 M331 F332R326-I328 PolarHBondContact O-N 3.11Å; I328-Q330 VanDerWaalsContact C-N 3.29Å; I328-Q330 PolarHBondContact O-N 2.84Å; I328-M331 WeakPolarHBondContact O-CB 3.26Å; I328-M331 PolarHBondContact O-N 2.93Å; I328-F332 HydrophobicContact CG2-CD2 3.73Å; I328-F332 HydrophobicContact CG2-CE2 3.57Å; I328-F332 VanDerWaalsContact O-CD2 3.24Å; I328-F332 WeakPolarHBondContact O-CD2 3.49Å; I328-F332 PolarHBondContact O-N 3.47Å
329R96.3Very high94.9Very high149 Ų14956.8 Ų56.856%0.56227%0.267SS*.Hα-helixtrans-63.9-36.9175.8-65.7-170.7-178.9-167.6-2.6111.7L261 R326 W327 V333L261-R329 HydrophobicContact CD1-CB 4.44Å; R326-R329 HydrophobicContact CB-CB 4.42Å; R326-R329 HydrophobicContact CB-CG 4.43Å; R326-R329 VanDerWaalsContact NH1-NH1 3.16Å; R326-R329 PolarHBondContact O-N 3.49Å; W327-R329 VanDerWaalsContact C-N 3.28Å; W327-R329 PolarHBondContact O-N 3.31Å; R329-V333 WeakPolarHBondContact O-CB 3.39Å; R329-V333 VanDerWaalsContact O-CG2 3.27Å; R329-V333 WeakPolarHBondContact O-CG2 3.42Å; R329-V333 PolarHBondContact O-N 3.42Å
330Q96.3Very high94.8Very high1 Ų161.5 Ų61.51%0.00529%0.291CS..Hα-helixtrans-64.7-43.9176.9-174.6-81.7-36.300111.2L261 S265 Y319 R326 W327 I328 V333 G334L261-Q330 HydrophobicContact CD1-CB 3.48Å; L261-Q330 VanDerWaalsContact CD1-CB 3.48Å; L261-Q330 HydrophobicContact CD1-CG 4.08Å; S265-Q330 PolarHBondContact OG-NE2 3.34Å; S265-Q330 PolarHBondContact OG-O 3.46Å; Y319-Q330 HydrophobicContact CD1-CB 3.8Å; Y319-Q330 HydrophobicContact CD1-CG 4.05Å; Y319-Q330 HydrophobicContact CD2-CB 4.44Å; Y319-Q330 HydrophobicContact CD2-CG 4.15Å; Y319-Q330 HydrophobicContact CE1-CB 4.08Å; Y319-Q330 HydrophobicContact CG-CB 4.01Å; Y319-Q330 HydrophobicContact CG-CG 3.75Å; R326-Q330 PolarHBondContact O-N 3.16Å; W327-Q330 WeakPolarHBondContact O-CB 3.27Å; W327-Q330 PolarHBondContact O-N 3.5Å; I328-Q330 VanDerWaalsContact C-N 3.29Å; I328-Q330 PolarHBondContact O-N 2.84Å; Q330-V333 PolarHBondContact O-N 2.83Å; Q330-G334 PolarHBondContact O-N 3.46Å
331M96.4Very high94.8Very high10 Ų1063.4 Ų63.45%0.04930%0.295CS..Hα-helixtrans-57.5-51.5175.9-178.8-161.982.500111.2W327 I328 V333 G334 A335 L383 T386W327-M331 PolarHBondContact O-N 3.01Å; I328-M331 WeakPolarHBondContact O-CB 3.26Å; I328-M331 PolarHBondContact O-N 2.93Å; M331-V333 PolarHBondContact O-N 3.34Å; M331-G334 PolarHBondContact O-N 2.94Å; M331-A335 VanDerWaalsContact O-CB 3.31Å; M331-A335 WeakPolarHBondContact O-CB 3.19Å; M331-A335 PolarHBondContact O-N 2.92Å; M331-L383 VanDerWaalsContact SD-CA 3.56Å; M331-L383 HydrophobicContact SD-CB 3.6Å; M331-L383 VanDerWaalsContact SD-CB 3.6Å; M331-L383 HydrophobicContact SD-CD1 3.43Å; M331-L383 WeakPolarHBondContact SD-CD1 3.38Å; M331-L383 HydrophobicContact SD-CG 4.1Å; M331-T386 HydrophobicContact CB-CG2 4.23Å
332F96.8Very high94.9Very high103 Ų10361.2 Ų61.245%0.45229%0.292SS..Hα-helixtrans-60.6-46.1179.1-83.7-71.9000112.3I328 S336 L379I328-F332 HydrophobicContact CG2-CD2 3.73Å; I328-F332 HydrophobicContact CG2-CE2 3.57Å; I328-F332 VanDerWaalsContact O-CD2 3.24Å; I328-F332 WeakPolarHBondContact O-CD2 3.49Å; I328-F332 PolarHBondContact O-N 3.47Å; F332-S336 VanDerWaalsContact O-CB 3.25Å; F332-S336 WeakPolarHBondContact O-CB 3.33Å; F332-S336 PolarHBondContact O-N 3.38Å; F332-S336 VanDerWaalsContact O-N 3.15Å; F332-S336 PolarHBondContact O-OG 3.37Å; F332-L379 HydrophobicContact CD1-CD1 4.28Å; F332-L379 HydrophobicContact CE1-CD1 3.73Å; F332-L379 HydrophobicContact CE1-CG 4.4Å
333V96.6Very high94.8Very high42 Ų4262.3 Ų62.326%0.25530%0.302SS..Hα-helixtrans-63.4-47.4177.5174.10000110.2L261 R329 Q330 M331 A335 S336 L337L261-V333 HydrophobicContact CD2-CG2 4.28Å; R329-V333 WeakPolarHBondContact O-CB 3.39Å; R329-V333 VanDerWaalsContact O-CG2 3.27Å; R329-V333 WeakPolarHBondContact O-CG2 3.42Å; R329-V333 PolarHBondContact O-N 3.42Å; Q330-V333 PolarHBondContact O-N 2.83Å; M331-V333 PolarHBondContact O-N 3.34Å; V333-A335 PolarHBondContact O-N 2.95Å; V333-S336 PolarHBondContact O-N 3.47Å; V333-S336 PolarHBondContact O-OG 3.08Å; V333-L337 HydrophobicContact CG1-CD1 3.87Å; V333-L337 HydrophobicContact CG1-CD2 4.29Å; V333-L337 HydrophobicContact CG1-CG 3.87Å; V333-L337 WeakPolarHBondContact O-CG 3.5Å; V333-L337 PolarHBondContact O-N 2.89Å
334G95.4Very high94.9Very high1 Ų163.2 Ų63.21%0.0130%0.3CS..Hα-helixtrans-60.2-45.3179.700000113.4S265 T269 N311 Q330 M331 S336S265-G334 PolarHBondContact OG-N 2.85Å; T269-G334 PolarHBondContact OG1-O 3.28Å; N311-G334 PolarHBondContact ND2-O 2.97Å; Q330-G334 PolarHBondContact O-N 3.46Å; M331-G334 PolarHBondContact O-N 2.94Å; G334-S336 VanDerWaalsContact C-N 3.28Å; G334-S336 PolarHBondContact O-N 3.23Å
335A95.6Very high95.1Very high13 Ų1365.3 Ų65.311%0.10731%0.309CS..Hα-helixtrans-70.1-23.3-179.800000113.3M331 V333 P339M331-A335 VanDerWaalsContact O-CB 3.31Å; M331-A335 WeakPolarHBondContact O-CB 3.19Å; M331-A335 PolarHBondContact O-N 2.92Å; V333-A335 PolarHBondContact O-N 2.95Å; A335-P339 WeakPolarHBondContact O-CG 3.4Å
336S94.4Very high95.1Very high42 Ų4255.2 Ų55.229%0.29428%0.275SS..Hα-helixtrans-106.5-21-17264.80000115.1F332 V333 G334 L338 P339 I340F332-S336 VanDerWaalsContact O-CB 3.25Å; F332-S336 WeakPolarHBondContact O-CB 3.33Å; F332-S336 PolarHBondContact O-N 3.38Å; F332-S336 VanDerWaalsContact O-N 3.15Å; F332-S336 PolarHBondContact O-OG 3.37Å; V333-S336 PolarHBondContact O-N 3.47Å; V333-S336 PolarHBondContact O-OG 3.08Å; G334-S336 VanDerWaalsContact C-N 3.28Å; G334-S336 PolarHBondContact O-N 3.23Å; S336-L338 PolarHBondContact O-N 3.4Å; S336-P339 WeakPolarHBondContact O-CD 3.46Å; S336-I340 WeakPolarHBondContact O-CB 3.29Å; S336-I340 VanDerWaalsContact O-CG1 3.24Å; S336-I340 WeakPolarHBondContact O-CG1 3.18Å; S336-I340 PolarHBondContact O-N 2.87Å
337L94.7Very high95Very high51 Ų5151 Ų5127%0.26727%0.265SS..Hα-helixtrans-51.1-56-175.2-87.2169.7000113.6L262 L266 V333 Y341L262-L337 HydrophobicContact CD1-CD1 4.28Å; L262-L337 HydrophobicContact CD1-CD2 4.22Å; L266-L337 HydrophobicContact CD2-CD1 4.23Å; L266-L337 HydrophobicContact CG-CD1 4.4Å; V333-L337 HydrophobicContact CG1-CD1 3.87Å; V333-L337 HydrophobicContact CG1-CD2 4.29Å; V333-L337 HydrophobicContact CG1-CG 3.87Å; V333-L337 WeakPolarHBondContact O-CG 3.5Å; V333-L337 PolarHBondContact O-N 2.89Å; L337-Y341 PolarHBondContact O-N 2.86Å
338L95.7Very high94.9Very high15 Ų1551.2 Ų51.28%0.07927%0.272CS..Hα-helixtrans-76.3-45.9-178.2-173.669.3000112.4T269 V273 Y304 S336 I340 Y341 V342T269-L338 HydrophobicContact CG2-CB 3.8Å; T269-L338 HydrophobicContact CG2-CD2 4.27Å; V273-L338 HydrophobicContact CG2-CD2 3.54Å; Y304-L338 HydrophobicContact CE2-CD2 3.83Å; S336-L338 PolarHBondContact O-N 3.4Å; L338-I340 PolarHBondContact O-N 3.39Å; L338-Y341 PolarHBondContact O-N 3.01Å; L338-V342 HydrophobicContact CD1-CG2 4.42Å; L338-V342 HydrophobicContact CG-CG2 4.38Å; L338-V342 WeakPolarHBondContact O-CG2 3.41Å; L338-V342 PolarHBondContact O-N 3.14Å
339P95Very high94.7Very high15 Ų1547.4 Ų47.410%0.09725%0.253CS..Hα-helixtrans-59.7-41177.6-28.438.4000113.8Y304 A335 S336 Y341 V342 C343Y304-P339 HydrophobicContact CE1-CG 3.98Å; A335-P339 WeakPolarHBondContact O-CG 3.4Å; S336-P339 WeakPolarHBondContact O-CD 3.46Å; P339-Y341 VanDerWaalsContact C-N 3.34Å; P339-Y341 PolarHBondContact O-N 3.36Å; P339-V342 PolarHBondContact O-N 3.43Å; P339-C343 VanDerWaalsContact O-CB 3.31Å; P339-C343 WeakPolarHBondContact O-CB 3.28Å; P339-C343 PolarHBondContact O-N 3.29Å; P339-C343 PolarHBondContact O-SG 3.11Å
340I94.7Very high94.6Very high106 Ų10640.9 Ų40.954%0.54423%0.229SC..Hα-helixtrans-63.4-42.2176.4-71.4176.5000110.5S336 L338 C343 S344S336-I340 WeakPolarHBondContact O-CB 3.29Å; S336-I340 VanDerWaalsContact O-CG1 3.24Å; S336-I340 WeakPolarHBondContact O-CG1 3.18Å; S336-I340 PolarHBondContact O-N 2.87Å; L338-I340 PolarHBondContact O-N 3.39Å; I340-C343 PolarHBondContact O-N 3.24Å; I340-S344 WeakPolarHBondContact O-CB 3.3Å; I340-S344 PolarHBondContact O-N 3.49Å
341Y95.9Very high94.5Very high61 Ų6147.8 Ų47.824%0.23926%0.26CS..Hα-helixtrans-62.4-47178-176.1-105.3000111.9L337 L338 P339 S344 M345 S529 I530 V533L337-Y341 PolarHBondContact O-N 2.86Å; L338-Y341 PolarHBondContact O-N 3.01Å; P339-Y341 VanDerWaalsContact C-N 3.34Å; P339-Y341 PolarHBondContact O-N 3.36Å; Y341-S344 PolarHBondContact O-N 3.5Å; Y341-M345 HydrophobicContact CE1-CG 4.26Å; Y341-M345 HydrophobicContact CE2-CE 3.72Å; Y341-M345 HydrophobicContact CE2-CG 4.27Å; Y341-M345 WeakPolarHBondContact O-CG 3.3Å; Y341-M345 PolarHBondContact O-N 2.91Å; Y341-S529 PolarHBondContact OH-OG 3.08Å; Y341-I530 HydrophobicContact CE1-CG1 4.2Å; Y341-V533 HydrophobicContact CD1-CB 4.32Å; Y341-V533 HydrophobicContact CD1-CG1 4.11Å; Y341-V533 HydrophobicContact CE1-CB 3.81Å; Y341-V533 HydrophobicContact CE1-CG1 4.05Å; Y341-V533 HydrophobicContact CE1-CG2 3.7Å
342V95.1Very high94.3Very high54 Ų5448.1 Ų48.133%0.32726%0.262SS..Hα-helixtrans-61.7-47.9177.2174.10000110.9L338 P339 S344 M345 A346 I530L338-V342 HydrophobicContact CD1-CG2 4.42Å; L338-V342 HydrophobicContact CG-CG2 4.38Å; L338-V342 WeakPolarHBondContact O-CG2 3.41Å; L338-V342 PolarHBondContact O-N 3.14Å; P339-V342 PolarHBondContact O-N 3.43Å; V342-S344 PolarHBondContact O-N 3.45Å; V342-M345 PolarHBondContact O-N 3.44Å; V342-A346 VanDerWaalsContact O-CB 3.23Å; V342-A346 WeakPolarHBondContact O-CB 3.29Å; V342-A346 PolarHBondContact O-N 3.34Å; V342-I530 HydrophobicContact CG2-CG2 3.9Å
343C93.4Very high94.1Very high41 Ų4143.3 Ų43.328%0.27724%0.241SC..Hα-helixtrans-64.9-40.1179.7-66.60000111.8P339 I340 A346 V347P339-C343 VanDerWaalsContact O-CB 3.31Å; P339-C343 WeakPolarHBondContact O-CB 3.28Å; P339-C343 PolarHBondContact O-N 3.29Å; P339-C343 PolarHBondContact O-SG 3.11Å; I340-C343 PolarHBondContact O-N 3.24Å; C343-A346 PolarHBondContact O-N 3.16Å; C343-V347 WeakPolarHBondContact O-CB 3.5Å; C343-V347 WeakPolarHBondContact O-CG2 3.4Å; C343-V347 PolarHBondContact O-N 3.34Å
344S92.9Very high93.9Very high74 Ų7445.5 Ų45.552%0.51725%0.251SS..Hα-helixtrans-61.7-48.2177-179.20000111.5I340 Y341 V342 V347 L348I340-S344 WeakPolarHBondContact O-CB 3.3Å; I340-S344 PolarHBondContact O-N 3.49Å; Y341-S344 PolarHBondContact O-N 3.5Å; V342-S344 PolarHBondContact O-N 3.45Å; S344-V347 PolarHBondContact O-N 3.13Å; S344-L348 WeakPolarHBondContact O-CB 3.3Å; S344-L348 PolarHBondContact O-N 3.26Å
345M94.2Very high93.7Very high46 Ų4654.1 Ų54.123%0.22728%0.284CS..Hα-helixtrans-65.5-41.9176.5-73.6-62.6172.300112Y341 V342 V347 L348 V349 I530Y341-M345 HydrophobicContact CE1-CG 4.26Å; Y341-M345 HydrophobicContact CE2-CE 3.72Å; Y341-M345 HydrophobicContact CE2-CG 4.27Å; Y341-M345 WeakPolarHBondContact O-CG 3.3Å; Y341-M345 PolarHBondContact O-N 2.91Å; V342-M345 PolarHBondContact O-N 3.44Å; M345-V347 PolarHBondContact O-N 2.91Å; M345-L348 PolarHBondContact O-N 3.36Å; M345-V349 WeakPolarHBondContact O-CG2 3.21Å; M345-V349 PolarHBondContact O-N 2.91Å; M345-I530 HydrophobicContact CB-CD1 3.78Å; M345-I530 HydrophobicContact CB-CG1 3.96Å; M345-I530 HydrophobicContact CG-CG1 4.22Å
346A92.4Very high93.4Very high18 Ų1857.2 Ų57.215%0.14929%0.294CS..Hα-helixtrans-61.4-44.2176.600000111.5V342 C343 V349 N350V342-A346 VanDerWaalsContact O-CB 3.23Å; V342-A346 WeakPolarHBondContact O-CB 3.29Å; V342-A346 PolarHBondContact O-N 3.34Å; C343-A346 PolarHBondContact O-N 3.16Å; A346-V349 PolarHBondContact O-N 3.46Å; A346-N350 WeakPolarHBondContact O-CB 3.48Å; A346-N350 PolarHBondContact O-N 3.25Å
347V92.2Very high93.2Very high61 Ų6163 Ų6337%0.3732%0.316SS..Hα-helixtrans-63.8-41.9176.6166.50000111.3C343 S344 M345 N350 F351 M367C343-V347 WeakPolarHBondContact O-CB 3.5Å; C343-V347 WeakPolarHBondContact O-CG2 3.4Å; C343-V347 PolarHBondContact O-N 3.34Å; S344-V347 PolarHBondContact O-N 3.13Å; M345-V347 PolarHBondContact O-N 2.91Å; V347-N350 WeakPolarHBondContact O-CB 3.39Å; V347-N350 PolarHBondContact O-N 2.98Å; V347-F351 HydrophobicContact CG1-CD2 3.8Å; V347-F351 HydrophobicContact CG1-CE2 3.35Å; V347-F351 HydrophobicContact CG1-CZ 4.21Å; V347-F351 WeakPolarHBondContact O-CD2 3.33Å; V347-F351 PolarHBondContact O-N 2.78Å; V347-M367 HydrophobicContact CG2-CE 4.5Å
348L92.6Very high93Very high87 Ų8760.8 Ų60.846%0.45531%0.305SS..Hα-helixtrans-59.8-50176-175.9156.7000111.4S344 M345 N350 F351 I522S344-L348 WeakPolarHBondContact O-CB 3.3Å; S344-L348 PolarHBondContact O-N 3.26Å; M345-L348 PolarHBondContact O-N 3.36Å; L348-N350 VanDerWaalsContact C-N 3.26Å; L348-N350 PolarHBondContact O-N 3.33Å; L348-F351 PolarHBondContact O-N 3.29Å; L348-I522 HydrophobicContact CD2-CG2 3.83Å
349V93.2Very high92.6Very high5 Ų561 Ų613%0.0331%0.306CS..Hα-helixtrans-63.2-37.5176.5177.40000110.4M345 A346 F351 V352 A353 I522 F523 Y527M345-V349 WeakPolarHBondContact O-CG2 3.21Å; M345-V349 PolarHBondContact O-N 2.91Å; A346-V349 PolarHBondContact O-N 3.46Å; V349-F351 PolarHBondContact O-N 2.97Å; V349-V352 PolarHBondContact O-N 3.32Å; V349-A353 PolarHBondContact O-N 3.4Å; V349-I522 HydrophobicContact CG2-CG2 4.01Å; V349-F523 HydrophobicContact CG1-CB 4.3Å; V349-F523 HydrophobicContact CG1-CD2 3.64Å; V349-F523 HydrophobicContact CG1-CE2 4.42Å; V349-F523 HydrophobicContact CG1-CG 4.33Å; V349-Y527 HydrophobicContact CG1-CE2 4.14Å; V349-Y527 HydrophobicContact CG2-CE2 4.45Å
350N93.1Very high92.1Very high12 Ų1261.5 Ų61.56%0.06431%0.306CS..Hα-helixtrans-66.4-36.2-179.3-165.466.1000113.3A346 V347 L348 V352 A353 I354 A361 I362 M367A346-N350 WeakPolarHBondContact O-CB 3.48Å; A346-N350 PolarHBondContact O-N 3.25Å; V347-N350 WeakPolarHBondContact O-CB 3.39Å; V347-N350 PolarHBondContact O-N 2.98Å; L348-N350 VanDerWaalsContact C-N 3.26Å; L348-N350 PolarHBondContact O-N 3.33Å; N350-V352 VanDerWaalsContact C-N 3.26Å; N350-V352 PolarHBondContact O-N 2.8Å; N350-A353 WeakPolarHBondContact O-CB 3.34Å; N350-A353 PolarHBondContact O-N 3.47Å; N350-I354 VanDerWaalsContact ND2-CD1 3.31Å; N350-I354 WeakPolarHBondContact ND2-CD1 3.41Å; N350-I354 WeakPolarHBondContact O-CG1 3.47Å; N350-I354 PolarHBondContact O-N 2.85Å; N350-A361 WeakPolarHBondContact OD1-CA 3.33Å; N350-I362 PolarHBondContact OD1-N 3.49Å; N350-M367 HydrophobicContact CB-CE 3.8Å; N350-M367 WeakPolarHBondContact ND2-CE 3.31Å
351F93.8Very high91.8Very high147 Ų14757.8 Ų57.865%0.64529%0.292SS*.Hα-helixtrans-59.2-40.6173.4-81.5-61.4000111.7V347 L348 V349 Y355V347-F351 HydrophobicContact CG1-CD2 3.8Å; V347-F351 HydrophobicContact CG1-CE2 3.35Å; V347-F351 HydrophobicContact CG1-CZ 4.21Å; V347-F351 WeakPolarHBondContact O-CD2 3.33Å; V347-F351 PolarHBondContact O-N 2.78Å; L348-F351 PolarHBondContact O-N 3.29Å; V349-F351 PolarHBondContact O-N 2.97Å; F351-Y355 PolarHBondContact O-N 3.39Å; F351-Y355 VanDerWaalsContact O-N 3.13Å
352V93.2Very high91.5Very high17 Ų1755.7 Ų55.710%0.10328%0.284CS..Hα-helixtrans-70.4-39.9175.5-168.90000110.5V349 N350 I354 Y355 Y356 F518 F519 I522V349-V352 PolarHBondContact O-N 3.32Å; N350-V352 VanDerWaalsContact C-N 3.26Å; N350-V352 PolarHBondContact O-N 2.8Å; V352-I354 VanDerWaalsContact C-N 3.32Å; V352-I354 PolarHBondContact O-N 3.49Å; V352-Y355 PolarHBondContact O-N 3.32Å; V352-Y356 HydrophobicContact CG1-CD2 3.98Å; V352-Y356 HydrophobicContact CG1-CE2 4.03Å; V352-Y356 WeakPolarHBondContact O-CD2 3.27Å; V352-Y356 PolarHBondContact O-N 3.39Å; V352-Y356 VanDerWaalsContact O-N 3.12Å; V352-F518 HydrophobicContact CG1-CD1 3.84Å; V352-F518 HydrophobicContact CG1-CE1 3.89Å; V352-F518 HydrophobicContact CG2-CE1 4.22Å; V352-F519 HydrophobicContact CB-CD2 4.2Å; V352-F519 HydrophobicContact CG1-CB 4.24Å; V352-F519 HydrophobicContact CG1-CD2 3.84Å; V352-I522 HydrophobicContact CG2-CD1 4Å; V352-I522 HydrophobicContact CG2-CG2 4.43Å
353A92Very high91.2Very high1 Ų155.9 Ų55.91%0.00829%0.287CS..Hα-helixtrans-58.3-43.9176.300000112.3V349 N350 Y356 H357 A358 A361 F519V349-A353 PolarHBondContact O-N 3.4Å; N350-A353 WeakPolarHBondContact O-CB 3.34Å; N350-A353 PolarHBondContact O-N 3.47Å; A353-Y356 PolarHBondContact O-N 2.97Å; A353-H357 PolarHBondContact O-N 2.99Å; A353-H357 VanDerWaalsContact O-N 3.12Å; A353-A358 PolarHBondContact O-N 2.87Å; A353-A361 HydrophobicContact CB-CB 3.96Å; A353-F519 VanDerWaalsContact CA-CE2 3.49Å; A353-F519 HydrophobicContact CB-CE2 3.62Å; A353-F519 HydrophobicContact CB-CZ 4.14Å
354I91.9Very high91Very high88 Ų8860.9 Ų60.945%0.45130%0.304SS..Hα-helixtrans-64.6-42.8176.9-68.2167.3000110.8N350 V352 Y356 H357 A361N350-I354 VanDerWaalsContact ND2-CD1 3.31Å; N350-I354 WeakPolarHBondContact ND2-CD1 3.41Å; N350-I354 WeakPolarHBondContact O-CG1 3.47Å; N350-I354 PolarHBondContact O-N 2.85Å; V352-I354 VanDerWaalsContact C-N 3.32Å; V352-I354 PolarHBondContact O-N 3.49Å; I354-Y356 PolarHBondContact O-N 3.13Å; I354-H357 PolarHBondContact O-N 3.26Å; I354-A361 HydrophobicContact CG1-CB 3.97Å
355Y92Very high90.8Very high183 Ų18361.4 Ų61.472%0.71830%0.304SS*.Hα-helixtrans-58.9-36.3178.1177.8-95.1000112.5F351 V352F351-Y355 PolarHBondContact O-N 3.39Å; F351-Y355 VanDerWaalsContact O-N 3.13Å; V352-Y355 PolarHBondContact O-N 3.32Å
356Y89.3Confident90.6Very high78 Ų7859.2 Ų59.231%0.30629%0.293SS..THydrogen-bonded Turntrans-85.4-3.9175.6-81.6-93.4000113.8Y27 V352 A353 I354 A358 F518 F519Y27-Y356 WeakPolarHBondContact CE1-O 3.38Å; V352-Y356 HydrophobicContact CG1-CD2 3.98Å; V352-Y356 HydrophobicContact CG1-CE2 4.03Å; V352-Y356 WeakPolarHBondContact O-CD2 3.27Å; V352-Y356 PolarHBondContact O-N 3.39Å; V352-Y356 VanDerWaalsContact O-N 3.12Å; A353-Y356 PolarHBondContact O-N 2.97Å; I354-Y356 PolarHBondContact O-N 3.13Å; Y356-A358 PolarHBondContact O-N 3.18Å; Y356-F518 HydrophobicContact CE2-CD1 4.42Å; Y356-F519 HydrophobicContact CD2-CB 4.02Å; Y356-F519 HydrophobicContact CE2-CB 4.1Å; Y356-F519 HydrophobicContact CG-CB 4.37Å
357H89.4Confident90.5Very high163 Ų16360.1 Ų60.176%0.75530%0.295SS*.THydrogen-bonded Turntrans53.934-169.7-57.5-78.7000113.5A353 I354A353-H357 PolarHBondContact O-N 2.99Å; A353-H357 VanDerWaalsContact O-N 3.12Å; I354-H357 PolarHBondContact O-N 3.26Å
358A90Very high90.5Very high5 Ų561 Ų614%0.04130%0.298CS..  trans-74.3144.3177.800000111.1T26 A353 Y356 R360 A361 F519T26-A358 CarbonylContact O-C 3.55Å; T26-A358 VanDerWaalsContact O-CA 3.29Å; T26-A358 WeakPolarHBondContact O-CA 3.49Å; A353-A358 PolarHBondContact O-N 2.87Å; Y356-A358 PolarHBondContact O-N 3.18Å; A358-R360 PolarHBondContact O-N 2.93Å; A358-A361 WeakPolarHBondContact O-CB 3.34Å; A358-A361 PolarHBondContact O-N 3.05Å; A358-F519 HydrophobicContact CB-CE1 4.33Å; A358-F519 HydrophobicContact CB-CZ 4.2Å
359T87.4Confident90.4Very high18 Ų1860.3 Ų60.311%0.1129%0.292CS..THydrogen-bonded Turntrans-66.5-17.7175.359.80000112.9T16 T26 A28 G55 A361T16-T359 HydrophobicContact CG2-CG2 4.12Å; T16-T359 WeakPolarHBondContact CG2-OG1 3.45Å; T26-T359 WeakPolarHBondContact CB-OG1 3.37Å; T26-T359 PolarHBondContact O-N 3.11Å; T26-T359 PolarHBondContact O-OG1 3.29Å; T26-T359 PolarHBondContact OG1-OG1 3.47Å; A28-T359 HydrophobicContact CB-CG2 4.1Å; G55-T359 VanDerWaalsContact CA-O 3.24Å; G55-T359 WeakPolarHBondContact CA-O 3.2Å; G55-T359 PolarHBondContact O-OG1 2.85Å; T359-A361 PolarHBondContact O-N 3.07Å
360R85.8Confident90.4Very high26 Ų2661.9 Ų61.910%0.09830%0.301CS..THydrogen-bonded Turntrans-66.4-7.8168.4-74-58.8-163.2152.7-7.2113.4Q24 L54 A358 I362 Y447 F519Q24-R360 WeakPolarHBondContact O-CG 3.17Å; L54-R360 VanDerWaalsContact O-CD 3.25Å; L54-R360 WeakPolarHBondContact O-CD 3.33Å; L54-R360 PolarHBondContact O-NE 3.35Å; L54-R360 PolarHBondContact O-NH1 3.33Å; A358-R360 PolarHBondContact O-N 2.93Å; R360-I362 PolarHBondContact O-N 3.42Å; R360-I362 VanDerWaalsContact O-N 3.17Å; R360-Y447 PolarHBondContact NH2-OH 3Å; R360-F519 HydrophobicContact CB-CZ 4.15Å
361A88.7Confident90.3Very high28 Ų2865 Ų6523%0.23132%0.317CS..SBendtrans-63.6114.7171.200000109.6N350 A353 I354 A358 T359 P363N350-A361 WeakPolarHBondContact OD1-CA 3.33Å; A353-A361 HydrophobicContact CB-CB 3.96Å; I354-A361 HydrophobicContact CG1-CB 3.97Å; A358-A361 WeakPolarHBondContact O-CB 3.34Å; A358-A361 PolarHBondContact O-N 3.05Å; T359-A361 PolarHBondContact O-N 3.07Å; A361-P363 WeakPolarHBondContact O-CD 3.48Å
362I88.9Confident90.3Very high17 Ų1760.5 Ų60.59%0.08730%0.304CS..  trans-68.3120178.8-60.6174.6000108.1L53 N350 R360 T366 M367L53-I362 HydrophobicContact CD2-CD1 4.23Å; L53-I362 HydrophobicContact CD2-CG2 4.12Å; N350-I362 PolarHBondContact OD1-N 3.49Å; R360-I362 PolarHBondContact O-N 3.42Å; R360-I362 VanDerWaalsContact O-N 3.17Å; I362-T366 WeakPolarHBondContact CG2-OG1 3.37Å; I362-M367 HydrophobicContact CB-CE 3.9Å; I362-M367 HydrophobicContact CG2-CE 4.09Å; I362-M367 HydrophobicContact CG2-CG 3.72Å
363P88.9Confident90.3Very high59 Ų5961.7 Ų61.738%0.38331%0.309SS..  trans-66.1144.8179.525.5-32.3000110.5A361 T365 T366 M367A361-P363 WeakPolarHBondContact O-CD 3.48Å; P363-T365 PolarHBondContact O-N 3.16Å; P363-T365 VanDerWaalsContact O-N 3.09Å; P363-T366 WeakPolarHBondContact CD-OG1 3.48Å; P363-T366 HydrophobicContact CG-CG2 3.77Å; P363-T366 WeakPolarHBondContact CG-OG1 3.39Å; P363-T366 PolarHBondContact O-N 2.94Å; P363-T366 PolarHBondContact O-OG1 3.45Å; P363-M367 PolarHBondContact O-N 3.05Å
364F88.9Confident90.4Very high146 Ų14663 Ų6364%0.6432%0.318SS*.Hα-helixtrans-54.6-35.1-175177.8-108.4000113.7T366 M367 L368F364-T366 PolarHBondContact O-N 2.88Å; F364-M367 WeakPolarHBondContact O-CB 3.47Å; F364-M367 PolarHBondContact O-N 3.23Å; F364-L368 HydrophobicContact CD1-CD1 3.99Å; F364-L368 HydrophobicContact CD1-CG 4.4Å; F364-L368 HydrophobicContact CE1-CD1 3.41Å; F364-L368 VanDerWaalsContact CE1-CD1 3.41Å; F364-L368 HydrophobicContact CE1-CD2 4.44Å; F364-L368 HydrophobicContact CE1-CG 3.95Å; F364-L368 HydrophobicContact CE2-CD2 4.42Å; F364-L368 HydrophobicContact CE2-CG 4.37Å; F364-L368 HydrophobicContact CZ-CD1 3.81Å; F364-L368 HydrophobicContact CZ-CD2 3.97Å; F364-L368 HydrophobicContact CZ-CG 3.92Å; F364-L368 PolarHBondContact O-N 2.98Å; F364-L368 VanDerWaalsContact O-N 3.08Å
365T88.9Confident90.5Very high84 Ų8463.1 Ų63.152%0.51532%0.319SS..Hα-helixtrans-59.1-44.5176.650.50000112.2P363 M367 L368 E369P363-T365 PolarHBondContact O-N 3.16Å; P363-T365 VanDerWaalsContact O-N 3.09Å; T365-M367 VanDerWaalsContact C-N 3.33Å; T365-M367 PolarHBondContact O-N 2.94Å; T365-L368 WeakPolarHBondContact O-CB 3.29Å; T365-L368 PolarHBondContact O-N 3.45Å; T365-E369 WeakPolarHBondContact O-CG 3.41Å; T365-E369 PolarHBondContact O-N 3.36Å
366T90Very high90.7Very high0 Ų061.8 Ų61.80%032%0.317CS..Hα-helixtrans-69.5-30.8178.159.80000112.7R52 I362 P363 F364 L368 E369 V370R52-T366 HydrophobicContact CB-CG2 3.79Å; R52-T366 HydrophobicContact CG-CG2 4.24Å; I362-T366 WeakPolarHBondContact CG2-OG1 3.37Å; P363-T366 WeakPolarHBondContact CD-OG1 3.48Å; P363-T366 HydrophobicContact CG-CG2 3.77Å; P363-T366 WeakPolarHBondContact CG-OG1 3.39Å; P363-T366 PolarHBondContact O-N 2.94Å; P363-T366 PolarHBondContact O-OG1 3.45Å; F364-T366 PolarHBondContact O-N 2.88Å; T366-L368 VanDerWaalsContact C-N 3.33Å; T366-E369 WeakPolarHBondContact O-CB 3.28Å; T366-E369 PolarHBondContact O-N 2.96Å; T366-V370 WeakPolarHBondContact O-CG2 3.46Å; T366-V370 PolarHBondContact O-N 3.09Å
367M90.3Very high91Very high38 Ų3860.8 Ų60.819%0.18732%0.319CS..Hα-helixtrans-62.4-43.6171-62-170.5162.100111.1V347 N350 I362 P363 F364 T365 V370 I371V347-M367 HydrophobicContact CG2-CE 4.5Å; N350-M367 HydrophobicContact CB-CE 3.8Å; N350-M367 WeakPolarHBondContact ND2-CE 3.31Å; I362-M367 HydrophobicContact CB-CE 3.9Å; I362-M367 HydrophobicContact CG2-CE 4.09Å; I362-M367 HydrophobicContact CG2-CG 3.72Å; P363-M367 PolarHBondContact O-N 3.05Å; F364-M367 WeakPolarHBondContact O-CB 3.47Å; F364-M367 PolarHBondContact O-N 3.23Å; T365-M367 VanDerWaalsContact C-N 3.33Å; T365-M367 PolarHBondContact O-N 2.94Å; M367-V370 PolarHBondContact O-N 3.49Å; M367-I371 VanDerWaalsContact O-CG1 3.27Å; M367-I371 WeakPolarHBondContact O-CG1 3.46Å; M367-I371 PolarHBondContact O-N 3.48Å
368L91.4Very high91.3Very high80 Ų8053.3 Ų53.342%0.41928%0.284SS..Hα-helixtrans-64.3-38174.8-68.5178.8000112.3F364 T365 T366 I371 S372F364-L368 HydrophobicContact CD1-CD1 3.99Å; F364-L368 HydrophobicContact CD1-CG 4.4Å; F364-L368 HydrophobicContact CE1-CD1 3.41Å; F364-L368 VanDerWaalsContact CE1-CD1 3.41Å; F364-L368 HydrophobicContact CE1-CD2 4.44Å; F364-L368 HydrophobicContact CE1-CG 3.95Å; F364-L368 HydrophobicContact CE2-CD2 4.42Å; F364-L368 HydrophobicContact CE2-CG 4.37Å; F364-L368 HydrophobicContact CZ-CD1 3.81Å; F364-L368 HydrophobicContact CZ-CD2 3.97Å; F364-L368 HydrophobicContact CZ-CG 3.92Å; F364-L368 PolarHBondContact O-N 2.98Å; F364-L368 VanDerWaalsContact O-N 3.08Å; T365-L368 WeakPolarHBondContact O-CB 3.29Å; T365-L368 PolarHBondContact O-N 3.45Å; T366-L368 VanDerWaalsContact C-N 3.33Å; L368-I371 PolarHBondContact O-N 3.29Å; L368-S372 VanDerWaalsContact O-CB 3.27Å; L368-S372 WeakPolarHBondContact O-CB 3.38Å; L368-S372 PolarHBondContact O-N 2.96Å; L368-S372 PolarHBondContact O-OG 3.4Å
369E91.5Very high91.6Very high72 Ų7255.5 Ų55.534%0.33630%0.295SS..Hα-helixtrans-59.1-49.3174.6-71.7171.4176.400111L49 R52 T365 T366 I371 S372 I373L49-E369 WeakPolarHBondContact CD1-OE2 3.4Å; R52-E369 IonicContact NH1-OE1 3.59Å; R52-E369 PolarHBondContact NH1-OE1 3.43Å; R52-E369 IonicContact NH1-OE2 2.66Å; R52-E369 PolarHBondContact NH1-OE2 2.9Å; T365-E369 WeakPolarHBondContact O-CG 3.41Å; T365-E369 PolarHBondContact O-N 3.36Å; T366-E369 WeakPolarHBondContact O-CB 3.28Å; T366-E369 PolarHBondContact O-N 2.96Å; E369-I371 PolarHBondContact O-N 2.88Å; E369-S372 WeakPolarHBondContact O-CB 3.26Å; E369-S372 PolarHBondContact O-N 3.06Å; E369-I373 WeakPolarHBondContact O-CG1 3.1Å; E369-I373 PolarHBondContact O-N 3.32Å
370V92.1Very high92Very high38 Ų3857.2 Ų57.223%0.2331%0.306CS..Hα-helixtrans-64.2-42.2179.2175.30000112L53 T366 M367 S372 I373 C374L53-V370 HydrophobicContact CD1-CG2 4.5Å; T366-V370 WeakPolarHBondContact O-CG2 3.46Å; T366-V370 PolarHBondContact O-N 3.09Å; M367-V370 PolarHBondContact O-N 3.49Å; V370-S372 VanDerWaalsContact C-N 3.3Å; V370-S372 PolarHBondContact O-N 3.39Å; V370-I373 PolarHBondContact O-N 3Å; V370-C374 PolarHBondContact O-N 3.14Å; V370-C374 VanDerWaalsContact O-N 3.11Å; V370-C374 PolarHBondContact O-SG 3.22Å
371I91.8Very high92.5Very high78 Ų7858.6 Ų58.640%0.432%0.316SS..Hα-helixtrans-63.5-39.8175.8-68.7166.9000110.6M367 L368 E369 I373 C374 I375M367-I371 VanDerWaalsContact O-CG1 3.27Å; M367-I371 WeakPolarHBondContact O-CG1 3.46Å; M367-I371 PolarHBondContact O-N 3.48Å; L368-I371 PolarHBondContact O-N 3.29Å; E369-I371 PolarHBondContact O-N 2.88Å; I371-I373 PolarHBondContact O-N 3.38Å; I371-C374 WeakPolarHBondContact O-CB 3.3Å; I371-C374 PolarHBondContact O-N 2.92Å; I371-C374 VanDerWaalsContact O-N 3.14Å; I371-I375 HydrophobicContact CG2-CD1 3.8Å; I371-I375 HydrophobicContact CG2-CG1 4.46Å; I371-I375 WeakPolarHBondContact O-CG1 3.19Å; I371-I375 PolarHBondContact O-N 3.45Å
372S93.7Very high92.9Very high51 Ų5157.3 Ų57.336%0.35731%0.305SS..Hα-helixtrans-63.4-41.1177.2-61.40000111.6L368 E369 V370 C374 I375 F376L368-S372 VanDerWaalsContact O-CB 3.27Å; L368-S372 WeakPolarHBondContact O-CB 3.38Å; L368-S372 PolarHBondContact O-N 2.96Å; L368-S372 PolarHBondContact O-OG 3.4Å; E369-S372 WeakPolarHBondContact O-CB 3.26Å; E369-S372 PolarHBondContact O-N 3.06Å; V370-S372 VanDerWaalsContact C-N 3.3Å; V370-S372 PolarHBondContact O-N 3.39Å; S372-C374 VanDerWaalsContact C-N 3.29Å; S372-C374 PolarHBondContact O-N 3.37Å; S372-I375 PolarHBondContact O-N 3.49Å; S372-F376 WeakPolarHBondContact O-CB 3.36Å; S372-F376 WeakPolarHBondContact O-CD2 3.38Å; S372-F376 PolarHBondContact O-N 3.02Å
373I94.2Very high93.2Very high42 Ų4259.9 Ų59.922%0.21532%0.318CS..Hα-helixtrans-59.4-41.9173-66.6166.5000110.6L49 I301 A305 E369 V370 I371 V377 I378L49-I373 HydrophobicContact CD2-CD1 4.18Å; I301-I373 HydrophobicContact CG2-CD1 4.08Å; A305-I373 HydrophobicContact CB-CG2 3.97Å; E369-I373 WeakPolarHBondContact O-CG1 3.1Å; E369-I373 PolarHBondContact O-N 3.32Å; V370-I373 PolarHBondContact O-N 3Å; I371-I373 PolarHBondContact O-N 3.38Å; I373-V377 HydrophobicContact CG2-CB 4.43Å; I373-V377 WeakPolarHBondContact O-CA 3.48Å; I373-V377 VanDerWaalsContact O-CB 3.31Å; I373-V377 WeakPolarHBondContact O-CB 3.4Å; I373-V377 PolarHBondContact O-N 2.95Å; I373-I378 HydrophobicContact CG2-CD1 4.36Å; I373-I378 HydrophobicContact CG2-CG1 4.34Å; I373-I378 PolarHBondContact O-N 3.44Å
374C93.7Very high93.6Very high30 Ų3061.1 Ų61.120%0.20332%0.324CS..Iπ-helixtrans-63.1-43.8178.4-64.10000112.7V370 I371 S372 I378 L379V370-C374 PolarHBondContact O-N 3.14Å; V370-C374 VanDerWaalsContact O-N 3.11Å; V370-C374 PolarHBondContact O-SG 3.22Å; I371-C374 WeakPolarHBondContact O-CB 3.3Å; I371-C374 PolarHBondContact O-N 2.92Å; I371-C374 VanDerWaalsContact O-N 3.14Å; S372-C374 VanDerWaalsContact C-N 3.29Å; S372-C374 PolarHBondContact O-N 3.37Å; C374-I378 HydrophobicContact CB-CD1 4.47Å; C374-I378 WeakPolarHBondContact O-CB 3.45Å; C374-L379 PolarHBondContact O-N 3.4Å; C374-L379 VanDerWaalsContact O-N 3.11Å
375I93.8Very high94Very high90 Ų9054.2 Ų54.246%0.46229%0.294SS..Iπ-helixtrans-79.3-45.5-175.6-64.9172.5000111.9I371 S372 P380I371-I375 HydrophobicContact CG2-CD1 3.8Å; I371-I375 HydrophobicContact CG2-CG1 4.46Å; I371-I375 WeakPolarHBondContact O-CG1 3.19Å; I371-I375 PolarHBondContact O-N 3.45Å; S372-I375 PolarHBondContact O-N 3.49Å; I375-P380 VanDerWaalsContact O-CD 3.29Å; I375-P380 WeakPolarHBondContact O-CD 3.17Å
376F95.7Very high94.4Very high155 Ų15550.2 Ų50.268%0.6827%0.27SS*.Iπ-helixtrans-93.6-20-170.7-67.5-70.9000114.2S372 P380S372-F376 WeakPolarHBondContact O-CB 3.36Å; S372-F376 WeakPolarHBondContact O-CD2 3.38Å; S372-F376 PolarHBondContact O-N 3.02Å; F376-P380 WeakPolarHBondContact O-CG 3.46Å
377V95.4Very high94.8Very high56 Ų5653 Ų5334%0.33929%0.287SS..Iπ-helixtrans-113-61.3180-172.30000110.7A305 I373 L379 P380 L381A305-V377 HydrophobicContact CB-CG1 4Å; I373-V377 HydrophobicContact CG2-CB 4.43Å; I373-V377 WeakPolarHBondContact O-CA 3.48Å; I373-V377 VanDerWaalsContact O-CB 3.31Å; I373-V377 WeakPolarHBondContact O-CB 3.4Å; I373-V377 PolarHBondContact O-N 2.95Å; V377-L379 PolarHBondContact O-N 3.4Å; V377-P380 WeakPolarHBondContact O-CD 3.26Å; V377-L381 HydrophobicContact CG1-CD1 4.21Å; V377-L381 HydrophobicContact CG1-CD2 4.42Å; V377-L381 WeakPolarHBondContact O-CB 3.34Å; V377-L381 VanDerWaalsContact O-CD1 3.23Å; V377-L381 WeakPolarHBondContact O-CD1 3.36Å; V377-L381 PolarHBondContact O-N 3.32Å; V377-L381 VanDerWaalsContact O-N 3.13Å
378I96.2Very high95.1Very high7 Ų755.4 Ų55.44%0.03630%0.3CS..Iπ-helixtrans-62.5-45.9-171.7-59.9-179.6000111.4Y304 A305 I373 C374 S382Y304-I378 HydrophobicContact CD1-CD1 3.79Å; Y304-I378 HydrophobicContact CE1-CD1 3.84Å; A305-I378 HydrophobicContact CB-CG1 4.16Å; I373-I378 HydrophobicContact CG2-CD1 4.36Å; I373-I378 HydrophobicContact CG2-CG1 4.34Å; I373-I378 PolarHBondContact O-N 3.44Å; C374-I378 HydrophobicContact CB-CD1 4.47Å; C374-I378 WeakPolarHBondContact O-CB 3.45Å; I378-S382 WeakPolarHBondContact O-CB 3.36Å; I378-S382 PolarHBondContact O-N 3.17Å; I378-S382 PolarHBondContact O-OG 3.23Å
379L95.6Very high95.3Very high51 Ų5151.6 Ų51.627%0.26728%0.28SS..Hα-helixtrans-66.1-50.2-176.6-178.7169.1000112.6F332 C374 V377 L381 S382 L383F332-L379 HydrophobicContact CD1-CD1 4.28Å; F332-L379 HydrophobicContact CE1-CD1 3.73Å; F332-L379 HydrophobicContact CE1-CG 4.4Å; C374-L379 PolarHBondContact O-N 3.4Å; C374-L379 VanDerWaalsContact O-N 3.11Å; V377-L379 PolarHBondContact O-N 3.4Å; L379-L381 PolarHBondContact O-N 3.2Å; L379-S382 PolarHBondContact O-N 3.3Å; L379-L383 PolarHBondContact O-N 3.26Å
380P96.4Very high95.4Very high53 Ų5350.8 Ų50.834%0.34427%0.274SS..Hα-helixtrans-61.6-41.7175.7-27.937000113.9I375 F376 V377 S382 L383 V384I375-P380 VanDerWaalsContact O-CD 3.29Å; I375-P380 WeakPolarHBondContact O-CD 3.17Å; F376-P380 WeakPolarHBondContact O-CG 3.46Å; V377-P380 WeakPolarHBondContact O-CD 3.26Å; P380-S382 VanDerWaalsContact C-N 3.34Å; P380-S382 PolarHBondContact O-N 2.96Å; P380-L383 WeakPolarHBondContact O-CB 3.45Å; P380-L383 PolarHBondContact O-N 3.09Å; P380-V384 PolarHBondContact O-N 3.45Å; P380-V384 VanDerWaalsContact O-N 3.16Å
381L96.5Very high95.5Very high56 Ų5654.5 Ų54.529%0.29329%0.292SS..Hα-helixtrans-68.1-35.6178.1-88.470.7000111.6S308 P309 V377 L379 L383 V384 G385S308-L381 WeakPolarHBondContact OG-CB 3.33Å; P309-L381 HydrophobicContact CG-CB 3.98Å; P309-L381 HydrophobicContact CG-CD2 4.3Å; P309-L381 HydrophobicContact CG-CG 4.32Å; V377-L381 HydrophobicContact CG1-CD1 4.21Å; V377-L381 HydrophobicContact CG1-CD2 4.42Å; V377-L381 WeakPolarHBondContact O-CB 3.34Å; V377-L381 VanDerWaalsContact O-CD1 3.23Å; V377-L381 WeakPolarHBondContact O-CD1 3.36Å; V377-L381 PolarHBondContact O-N 3.32Å; V377-L381 VanDerWaalsContact O-N 3.13Å; L379-L381 PolarHBondContact O-N 3.2Å; L381-L383 VanDerWaalsContact C-N 3.31Å; L381-L383 PolarHBondContact O-N 2.96Å; L381-V384 PolarHBondContact O-N 3.49Å; L381-G385 PolarHBondContact O-N 3.04Å
382S96.3Very high95.6Very high1 Ų156.9 Ų56.91%0.00731%0.305CS..Hα-helixtrans-64.6-33.9172.2-61.90000112.3G312 I378 L379 P380 G385 T386G312-S382 WeakPolarHBondContact CA-O 3.09Å; I378-S382 WeakPolarHBondContact O-CB 3.36Å; I378-S382 PolarHBondContact O-N 3.17Å; I378-S382 PolarHBondContact O-OG 3.23Å; L379-S382 PolarHBondContact O-N 3.3Å; P380-S382 VanDerWaalsContact C-N 3.34Å; P380-S382 PolarHBondContact O-N 2.96Å; S382-G385 PolarHBondContact O-N 3.48Å; S382-T386 WeakPolarHBondContact O-CB 3.4Å; S382-T386 PolarHBondContact O-N 3.04Å; S382-T386 PolarHBondContact O-OG1 2.95Å
383L97.1Very high95.5Very high70 Ų7055.3 Ų55.337%0.36629%0.294SS..Hα-helixtrans-62.4-49.3173.2173.666.5000110.9W327 M331 L379 P380 L381 G385 T386 V387W327-L383 HydrophobicContact CH2-CD1 4.41Å; W327-L383 HydrophobicContact CZ3-CD1 3.99Å; M331-L383 VanDerWaalsContact SD-CA 3.56Å; M331-L383 HydrophobicContact SD-CB 3.6Å; M331-L383 VanDerWaalsContact SD-CB 3.6Å; M331-L383 HydrophobicContact SD-CD1 3.43Å; M331-L383 WeakPolarHBondContact SD-CD1 3.38Å; M331-L383 HydrophobicContact SD-CG 4.1Å; L379-L383 PolarHBondContact O-N 3.26Å; P380-L383 WeakPolarHBondContact O-CB 3.45Å; P380-L383 PolarHBondContact O-N 3.09Å; L381-L383 VanDerWaalsContact C-N 3.31Å; L381-L383 PolarHBondContact O-N 2.96Å; L383-G385 VanDerWaalsContact C-N 3.32Å; L383-G385 PolarHBondContact O-N 3.41Å; L383-T386 PolarHBondContact O-N 3.06Å; L383-T386 VanDerWaalsContact O-N 3.11Å; L383-V387 HydrophobicContact CD1-CG2 4.17Å; L383-V387 WeakPolarHBondContact O-CG2 3.35Å; L383-V387 PolarHBondContact O-N 3.01Å
384V97.1Very high95.2Very high85 Ų8553.7 Ų53.752%0.51529%0.288SS..Hα-helixtrans-55.8-49.1176.9175.90000110.4P380 L381 T386 V387 L388P380-V384 PolarHBondContact O-N 3.45Å; P380-V384 VanDerWaalsContact O-N 3.16Å; L381-V384 PolarHBondContact O-N 3.49Å; V384-T386 VanDerWaalsContact C-N 3.33Å; V384-T386 PolarHBondContact O-N 2.72Å; V384-V387 PolarHBondContact O-N 3.26Å; V384-L388 HydrophobicContact CG1-CD1 4.04Å; V384-L388 WeakPolarHBondContact O-CG 3.31Å; V384-L388 PolarHBondContact O-N 3.09Å; V384-L388 VanDerWaalsContact O-N 3.08Å
385G97.2Very high94.9Very high1 Ų159.1 Ų59.11%0.0131%0.31CS..Hα-helixtrans-57.4-44.3175.600000113P309 G312 Y313 L381 S382 L383 L388 G389P309-G385 WeakPolarHBondContact O-CA 3.42Å; G312-G385 CarbonylContact C-O 3.56Å; Y313-G385 WeakPolarHBondContact CA-O 3.38Å; Y313-G385 VanDerWaalsContact N-C 3.32Å; Y313-G385 PolarHBondContact N-O 3.15Å; L381-G385 PolarHBondContact O-N 3.04Å; S382-G385 PolarHBondContact O-N 3.48Å; L383-G385 VanDerWaalsContact C-N 3.32Å; L383-G385 PolarHBondContact O-N 3.41Å; G385-L388 PolarHBondContact O-N 3.06Å; G385-G389 PolarHBondContact O-N 3.08Å
386T97.2Very high94.4Very high1 Ų157.3 Ų57.31%0.00631%0.309CS..Hα-helixtrans-63.4-44.1-179.2-57.30000112G312 W327 M331 S382 L383 V384 R390G312-T386 VanDerWaalsContact CA-OG1 3.28Å; G312-T386 WeakPolarHBondContact CA-OG1 3.44Å; G312-T386 VanDerWaalsContact O-CA 3.3Å; G312-T386 WeakPolarHBondContact O-CA 3.06Å; W327-T386 HydrophobicContact CE3-CG2 4.13Å; M331-T386 HydrophobicContact CB-CG2 4.23Å; S382-T386 WeakPolarHBondContact O-CB 3.4Å; S382-T386 PolarHBondContact O-N 3.04Å; S382-T386 PolarHBondContact O-OG1 2.95Å; L383-T386 PolarHBondContact O-N 3.06Å; L383-T386 VanDerWaalsContact O-N 3.11Å; V384-T386 VanDerWaalsContact C-N 3.33Å; V384-T386 PolarHBondContact O-N 2.72Å; T386-R390 HydrophobicContact CG2-CG 4.45Å; T386-R390 WeakPolarHBondContact O-CB 3.43Å; T386-R390 WeakPolarHBondContact O-CG 3.32Å; T386-R390 PolarHBondContact O-N 3.43Å; T386-R390 VanDerWaalsContact O-N 3.08Å
387V96.8Very high93.7Very high59 Ų5955.3 Ų55.336%0.35831%0.314SS..Hα-helixtrans-63.4-46.9178174.50000110.5L383 V384 R390 N391L383-V387 HydrophobicContact CD1-CG2 4.17Å; L383-V387 WeakPolarHBondContact O-CG2 3.35Å; L383-V387 PolarHBondContact O-N 3.01Å; V384-V387 PolarHBondContact O-N 3.26Å; V387-R390 PolarHBondContact O-N 3.47Å; V387-N391 WeakPolarHBondContact O-CB 3.32Å; V387-N391 PolarHBondContact O-N 3.31Å; V387-N391 VanDerWaalsContact O-N 3.14Å; V387-N391 PolarHBondContact O-ND2 2.79Å
388L96.6Very high93.2Very high87 Ų8756.5 Ų56.546%0.45531%0.313SS..Hα-helixtrans-62.5-45.6178.1-68.9175.4000112.4Y313 V384 G385 R390 N391 L392Y313-L388 HydrophobicContact CD2-CB 4.28Å; V384-L388 HydrophobicContact CG1-CD1 4.04Å; V384-L388 WeakPolarHBondContact O-CG 3.31Å; V384-L388 PolarHBondContact O-N 3.09Å; V384-L388 VanDerWaalsContact O-N 3.08Å; G385-L388 PolarHBondContact O-N 3.06Å; L388-R390 PolarHBondContact O-N 3.15Å; L388-N391 PolarHBondContact O-N 3.42Å; L388-L392 VanDerWaalsContact O-CB 3.3Å; L388-L392 WeakPolarHBondContact O-CB 3.36Å; L388-L392 WeakPolarHBondContact O-CG 3.38Å; L388-L392 PolarHBondContact O-N 2.84Å
389G96.1Very high92.6Very high0 Ų059.2 Ų59.20%033%0.331CS..Hα-helixtrans-63.1-41-179.400000112.9S317 G385 S393 G394S317-G389 VanDerWaalsContact CB-O 3.25Å; S317-G389 WeakPolarHBondContact CB-O 3.31Å; G385-G389 PolarHBondContact O-N 3.08Å; G389-S393 CarbonylContact O-C 3.59Å; G389-S393 PolarHBondContact O-N 3.44Å; G389-S393 VanDerWaalsContact O-N 3.08Å; G389-S393 PolarHBondContact O-OG 3.32Å; G389-S393 VanDerWaalsContact O-OG 3.06Å; G389-G394 PolarHBondContact O-N 3.09Å; G389-G394 VanDerWaalsContact O-N 3.15Å
390R94.4Very high91.9Very high56 Ų5657.5 Ų57.521%0.21132%0.324CS..Hα-helixtrans-67.3-43.4178.5-70.4178.264732.9112.5G316 A320 T386 V387 L388 G394G316-R390 VanDerWaalsContact O-CG 3.32Å; G316-R390 WeakPolarHBondContact O-CG 3.47Å; A320-R390 HydrophobicContact CB-CG 4.23Å; T386-R390 HydrophobicContact CG2-CG 4.45Å; T386-R390 WeakPolarHBondContact O-CB 3.43Å; T386-R390 WeakPolarHBondContact O-CG 3.32Å; T386-R390 PolarHBondContact O-N 3.43Å; T386-R390 VanDerWaalsContact O-N 3.08Å; V387-R390 PolarHBondContact O-N 3.47Å; L388-R390 PolarHBondContact O-N 3.15Å; R390-G394 VanDerWaalsContact O-CA 3.25Å; R390-G394 WeakPolarHBondContact O-CA 3.25Å; R390-G394 PolarHBondContact O-N 3.26Å; R390-G394 VanDerWaalsContact O-N 3.16Å
391N93.7Very high91.4Very high115 Ų11565.7 Ų65.762%0.61535%0.348SS*.Hα-helixtrans-76.5-41.4-175.1-68.4-17.3000112.2V387 L388V387-N391 WeakPolarHBondContact O-CB 3.32Å; V387-N391 PolarHBondContact O-N 3.31Å; V387-N391 VanDerWaalsContact O-N 3.14Å; V387-N391 PolarHBondContact O-ND2 2.79Å; L388-N391 PolarHBondContact O-N 3.42Å
392L93.5Very high91Very high128 Ų12865.4 Ų65.467%0.6735%0.348SS*.Hα-helixtrans-83.4-37.8-175.6-63.5176.2000112.9L388L388-L392 VanDerWaalsContact O-CB 3.3Å; L388-L392 WeakPolarHBondContact O-CB 3.36Å; L388-L392 WeakPolarHBondContact O-CG 3.38Å; L388-L392 PolarHBondContact O-N 2.84Å
393S91.8Very high90.6Very high18 Ų1869.3 Ų69.313%0.12637%0.369CS..Hα-helixtrans-134.413.4-169.265.90000114.1Y313 S317 R321 G389Y313-S393 PolarHBondContact OH-OG 3.25Å; Y313-S393 VanDerWaalsContact OH-OG 3.14Å; S317-S393 WeakPolarHBondContact CB-OG 3.43Å; R321-S393 VanDerWaalsContact CZ-O 3.31Å; R321-S393 PolarHBondContact NE-O 3.37Å; R321-S393 PolarHBondContact NH2-O 2.89Å; G389-S393 CarbonylContact O-C 3.59Å; G389-S393 PolarHBondContact O-N 3.44Å; G389-S393 VanDerWaalsContact O-N 3.08Å; G389-S393 PolarHBondContact O-OG 3.32Å; G389-S393 VanDerWaalsContact O-OG 3.06Å
394G87.7Confident90.1Very high9 Ų970.6 Ų70.69%0.09339%0.389CS..  trans-80.7-10.3179.900000115.8A320 R321 G389 R390A320-G394 CarbonylContact C-O 3.46Å; R321-G394 PolarHBondContact N-O 2.98Å; G389-G394 PolarHBondContact O-N 3.09Å; G389-G394 VanDerWaalsContact O-N 3.15Å; R390-G394 VanDerWaalsContact O-CA 3.25Å; R390-G394 WeakPolarHBondContact O-CA 3.25Å; R390-G394 PolarHBondContact O-N 3.26Å; R390-G394 VanDerWaalsContact O-N 3.16Å
395H88.8Confident89.7Confident143 Ų14372.1 Ų72.166%0.66240%0.399SS*.SBendtrans-71.1130.3174.9-62.192.2000110.5
396A83.1Confident89.3Confident52 Ų5274.8 Ų74.843%0.4342%0.416SS..  trans-79.4126174.600000110.2R321 Y398R321-A396 HydrophobicContact CB-CB 4.42Å; A396-Y398 HydrophobicContact CB-CD2 3.94Å; A396-Y398 HydrophobicContact CB-CE2 3.62Å
397S80.7Confident88.8Confident114 Ų11479.2 Ų79.280%0.79743%0.432SS*.  trans-120.274.1172.2-53.60000108.3
398Y84.8Confident88.4Confident81 Ų8181.7 Ų81.732%0.31845%0.45SS..  trans-84.7136.8176.6-61.3-52.6000110F254 R321 A396 C400F254-Y398 HydrophobicContact CB-CD1 3.89Å; F254-Y398 HydrophobicContact CB-CD2 4.22Å; F254-Y398 HydrophobicContact CB-CE1 4.35Å; F254-Y398 HydrophobicContact CB-CG 3.82Å; F254-Y398 AromaticContact CD1-CD1 3.37Å; F254-Y398 HydrophobicContact CD1-CD1 3.37Å; F254-Y398 AromaticContact CD1-CE1 3.96Å; F254-Y398 HydrophobicContact CD1-CE1 3.96Å; F254-Y398 HydrophobicContact CD1-CG 4.04Å; F254-Y398 HydrophobicContact CE1-CD1 4.16Å; F254-Y398 AromaticContact CG-CD1 3.79Å; F254-Y398 HydrophobicContact CG-CD1 3.79Å; F254-Y398 AromaticContact CG-CG 3.98Å; F254-Y398 HydrophobicContact CG-CG 3.98Å; R321-Y398 PolarHBondContact O-OH 2.99Å; A396-Y398 HydrophobicContact CB-CD2 3.94Å; A396-Y398 HydrophobicContact CB-CE2 3.62Å; Y398-C400 VanDerWaalsContact C-N 3.3Å; Y398-C400 PolarHBondContact O-N 3.16Å
399P82.5Confident88Confident63 Ų6380.2 Ų80.241%0.40944%0.441SS..SBendtrans-69.8-27.9-178.727.8-34.2000112.7F254F254-P399 HydrophobicContact CD2-CG 4.48Å; F254-P399 HydrophobicContact CE1-CG 4.2Å; F254-P399 HydrophobicContact CE2-CG 3.49Å; F254-P399 VanDerWaalsContact CE2-CG 3.49Å; F254-P399 VanDerWaalsContact CZ-CD 3.41Å; F254-P399 HydrophobicContact CZ-CG 3.32Å
400C82.3Confident87.5Confident16 Ų1682.7 Ų82.711%0.10846%0.458CS..SBendtrans-120.5145.5-179.3-53.40000110.8F254 Y398F254-C400 HydrophobicContact CD2-CB 4.16Å; F254-C400 HydrophobicContact CE2-CB 4.14Å; Y398-C400 VanDerWaalsContact C-N 3.3Å; Y398-C400 PolarHBondContact O-N 3.16Å
401R85.7Confident87.1Confident225 Ų22589.8 Ų89.885%0.84949%0.493SS*.PPolyproline II helixtrans-69.2141.3172-175177179.5177.40.3110.2
402V87.4Confident86.7Confident49 Ų4986.4 Ų86.430%0.29747%0.473SS..PPolyproline II helixtrans-87.7129177.4-177.60000110.3G251 F254 R255G251-V402 CarbonylContact O-C 3.58Å; G251-V402 WeakPolarHBondContact O-CA 3.25Å; F254-V402 HydrophobicContact CB-CG2 3.8Å; R255-V402 HydrophobicContact CB-CG1 4.33Å
403N87.7Confident86.3Confident84 Ų8487 Ų8745%0.44947%0.47SS..PPolyproline II helixtrans-67.8146.5174.5-73.9-18.3000111G251 R255G251-N403 PolarHBondContact O-N 3.37Å; R255-N403 PolarHBondContact NH2-O 3.1Å
404A86.8Confident86Confident96 Ų9690.4 Ų90.479%0.79349%0.493SS*.SBendtrans-66.7-48.1-179.100000111.5R255R255-A404 PolarHBondContact NH2-O 2.96Å
405V88.7Confident85.8Confident118 Ų11895.9 Ų95.972%0.71551%0.512SS*.SBendtrans-95.8127.4-178.5-177.20000109.6
406P88.8Confident85.6Confident56 Ų5691.4 Ų91.436%0.36449%0.492SS..PPolyproline II helixtrans-72.1137.4176.429.3-33000111.2
407R86.5Confident85.9Confident95 Ų9593 Ų9336%0.35849%0.49SS..PPolyproline II helixtrans-66.6143.1173.7-171.6-178.3160.3154.5-11.4111.7D252 E482D252-R407 PolarHBondContact OD2-N 3.02Å; R407-E482 IonicContact CZ-OE2 2.94Å; R407-E482 IonicContact NE-OE2 3.82Å; R407-E482 IonicContact NH2-OE2 3.67Å; R407-E482 PolarHBondContact NH2-OE2 2.92Å
408P87.9Confident86.4Confident111 Ų11189.2 Ų89.272%0.72146%0.463SS*.PPolyproline II helixtrans-62.8138169.526.2-34.7000111.1
409I88.1Confident86.7Confident55 Ų5591 Ų9128%0.28248%0.477SS..PPolyproline II helixtrans-84.8126.1-179.9-58.5165.9000107.9D483 Y484I409-D483 HydrophobicContact CG2-CB 4.08Å; I409-Y484 HydrophobicContact CD1-CE1 4.15Å; I409-Y484 HydrophobicContact CG1-CD1 4.4Å; I409-Y484 HydrophobicContact CG1-CE1 3.92Å
410P87.3Confident87.3Confident53 Ų5389.4 Ų89.434%0.34447%0.468SS..PPolyproline II helixtrans-68158.9178.529.1-35000111.7E482P410-E482 HydrophobicContact CG-CB 3.8Å; P410-E482 HydrophobicContact CG-CG 4.48Å
411E85.6Confident87.7Confident204 Ų20489.5 Ų89.595%0.95347%0.467SS*.PPolyproline II helixtrans-64.4135.9170.1-65.4-175.9179.800110
412K83.9Confident88.2Confident45 Ų4579.9 Ų79.920%0.19643%0.433CS..  trans-128.8156.2-17759.2-174.7167179.60110.7M416 E417 A481 D483K412-M416 HydrophobicContact CB-CB 4.25Å; K412-M416 HydrophobicContact CD-CB 4.18Å; K412-M416 WeakPolarHBondContact CD-O 3.19Å; K412-M416 HydrophobicContact CG-CB 4.47Å; K412-M416 PolarHBondContact NZ-O 3.22Å; K412-E417 HydrophobicContact CG-CG 4.36Å; K412-A481 HydrophobicContact CB-CB 4.36Å; K412-A481 HydrophobicContact CD-CB 4.02Å; K412-D483 IonicContact NZ-OD2 3.31Å; K412-D483 PolarHBondContact NZ-OD2 3.25Å
413K86.7Confident88.5Confident140 Ų14081 Ų8161%0.60944%0.437SS*.  trans-65.2149.3175.9-62.8179.5-177.2178.70110Y415 M416K413-Y415 HydrophobicContact CB-CD1 3.86Å; K413-Y415 HydrophobicContact CB-CE1 3.52Å; K413-Y415 HydrophobicContact CD-CE1 3.46Å; K413-Y415 VanDerWaalsContact CD-CE1 3.46Å; K413-Y415 WeakPolarHBondContact CD-OH 3.3Å; K413-Y415 HydrophobicContact CG-CE1 4.13Å; K413-Y415 PolarHBondContact O-N 3.39Å; K413-Y415 VanDerWaalsContact O-N 3.09Å; K413-M416 WeakPolarHBondContact O-CB 3.37Å; K413-M416 PolarHBondContact O-N 3.48Å
414C84.9Confident88.7Confident89 Ų8981.6 Ų81.660%0.60144%0.443SS*.G310 helixtrans-49-41.2-177.3178.10000113.7M416 E417 S420C414-M416 PolarHBondContact O-N 2.91Å; C414-E417 VanDerWaalsContact O-CB 3.3Å; C414-E417 WeakPolarHBondContact O-CB 3.5Å; C414-E417 PolarHBondContact O-N 3.29Å; C414-S420 WeakPolarHBondContact O-CB 3.24Å
415Y83.9Confident88.9Confident125 Ų12577.2 Ų77.249%0.4941%0.408SS..G310 helixtrans-69.3-13.8179.566.3-98.3000115K413K413-Y415 HydrophobicContact CB-CD1 3.86Å; K413-Y415 HydrophobicContact CB-CE1 3.52Å; K413-Y415 HydrophobicContact CD-CE1 3.46Å; K413-Y415 VanDerWaalsContact CD-CE1 3.46Å; K413-Y415 WeakPolarHBondContact CD-OH 3.3Å; K413-Y415 HydrophobicContact CG-CE1 4.13Å; K413-Y415 PolarHBondContact O-N 3.39Å; K413-Y415 VanDerWaalsContact O-N 3.09Å
416M83.9Confident89.1Confident49 Ų4971.6 Ų71.624%0.24137%0.373CS..G310 helixtrans-96.9-1.9173.8-62.8-175.1167.200112.3K412 K413 C414 V477 A481K412-M416 HydrophobicContact CB-CB 4.25Å; K412-M416 HydrophobicContact CD-CB 4.18Å; K412-M416 WeakPolarHBondContact CD-O 3.19Å; K412-M416 HydrophobicContact CG-CB 4.47Å; K412-M416 PolarHBondContact NZ-O 3.22Å; K413-M416 WeakPolarHBondContact O-CB 3.37Å; K413-M416 PolarHBondContact O-N 3.48Å; C414-M416 PolarHBondContact O-N 2.91Å; M416-V477 HydrophobicContact CG-CG1 4.24Å; M416-A481 HydrophobicContact CB-CB 4.13Å; M416-A481 HydrophobicContact SD-CB 3.94Å
417E89.8Confident89.3Confident86 Ų8673.2 Ų73.240%0.40238%0.379SS..SBendtrans-67.5147.4175.8-69.4-173.6179.700111.7K412 C414 L419 S420 L421K412-E417 HydrophobicContact CG-CG 4.36Å; C414-E417 VanDerWaalsContact O-CB 3.3Å; C414-E417 WeakPolarHBondContact O-CB 3.5Å; C414-E417 PolarHBondContact O-N 3.29Å; E417-L419 PolarHBondContact O-N 3.25Å; E417-S420 PolarHBondContact O-N 2.86Å; E417-L421 WeakPolarHBondContact O-CG 3.34Å; E417-L421 PolarHBondContact O-N 3.35Å
418P90.8Very high89.5Confident34 Ų3471.8 Ų71.822%0.22138%0.378CS..Hα-helixtrans-57.1-40-179.1-23.936.2000112.2L421 V422 L478 T489P418-L421 PolarHBondContact O-N 3.49Å; P418-V422 WeakPolarHBondContact O-CB 3.42Å; P418-V422 WeakPolarHBondContact O-CG2 3.31Å; P418-V422 PolarHBondContact O-N 3.47Å; P418-L478 HydrophobicContact CG-CD1 4.19Å; P418-T489 HydrophobicContact CB-CG2 3.99Å
419L92.1Very high89.8Confident118 Ų11866.6 Ų66.662%0.61834%0.344SS*.Hα-helixtrans-66.8-45.2-179.6-175.365.6000112E417 L421 V422 L423E417-L419 PolarHBondContact O-N 3.25Å; L419-L421 VanDerWaalsContact C-N 3.31Å; L419-L421 PolarHBondContact O-N 2.89Å; L419-V422 PolarHBondContact O-N 3.44Å; L419-L423 HydrophobicContact CG-CD1 4.46Å; L419-L423 WeakPolarHBondContact O-CG 3.4Å; L419-L423 PolarHBondContact O-N 3.36Å
420S93.7Very high90Very high30 Ų3065.2 Ų65.221%0.2134%0.336CS..Hα-helixtrans-61.8-41.3176.2-174.20000111.3C414 E417 L423 V424C414-S420 WeakPolarHBondContact O-CB 3.24Å; E417-S420 PolarHBondContact O-N 2.86Å; S420-L423 PolarHBondContact O-N 3.45Å; S420-V424 WeakPolarHBondContact O-CB 3.41Å; S420-V424 WeakPolarHBondContact O-CG2 3.17Å; S420-V424 PolarHBondContact O-N 3.45Å
421L92.6Very high90.2Very high18 Ų1865 Ų659%0.09434%0.344CS..Hα-helixtrans-64.8-40.3176.7-71.1171.4000112.1E417 P418 L419 G425 V477 L478E417-L421 WeakPolarHBondContact O-CG 3.34Å; E417-L421 PolarHBondContact O-N 3.35Å; P418-L421 PolarHBondContact O-N 3.49Å; L419-L421 VanDerWaalsContact C-N 3.31Å; L419-L421 PolarHBondContact O-N 2.89Å; L421-G425 PolarHBondContact O-N 2.92Å; L421-V477 HydrophobicContact CD1-CG1 4.49Å; L421-V477 HydrophobicContact CD2-CB 4.37Å; L421-V477 HydrophobicContact CD2-CG1 4.01Å; L421-L478 HydrophobicContact CD1-CB 4.04Å; L421-L478 HydrophobicContact CD1-CD1 4.12Å
422V94.8Very high90.4Very high22 Ų2255.8 Ų55.813%0.13330%0.301CS..Hα-helixtrans-61.3-47.7176.8164.90000111.1P418 L419 G426 T489 F492 V493 S496P418-V422 WeakPolarHBondContact O-CB 3.42Å; P418-V422 WeakPolarHBondContact O-CG2 3.31Å; P418-V422 PolarHBondContact O-N 3.47Å; L419-V422 PolarHBondContact O-N 3.44Å; V422-G426 PolarHBondContact O-N 3.39Å; V422-T489 HydrophobicContact CG2-CG2 4.28Å; V422-F492 HydrophobicContact CB-CB 4.42Å; V422-F492 HydrophobicContact CG1-CB 3.91Å; V422-F492 HydrophobicContact CG2-CB 3.54Å; V422-V493 HydrophobicContact CB-CG2 4.47Å; V422-V493 HydrophobicContact CG2-CG2 3.92Å; V422-S496 WeakPolarHBondContact O-CB 3.2Å; V422-S496 PolarHBondContact O-OG 2.94Å
423L93.7Very high90.7Very high73 Ų7354.1 Ų54.138%0.38230%0.295SS..Hα-helixtrans-64.6-54179.2-67.9174.4000110.9L419 S420 G425 G426 F499 Y500L419-L423 HydrophobicContact CG-CD1 4.46Å; L419-L423 WeakPolarHBondContact O-CG 3.4Å; L419-L423 PolarHBondContact O-N 3.36Å; S420-L423 PolarHBondContact O-N 3.45Å; L423-G425 VanDerWaalsContact C-N 3.33Å; L423-G425 PolarHBondContact O-N 2.88Å; L423-G426 PolarHBondContact O-N 3.36Å; L423-F499 HydrophobicContact CD2-CE1 4.37Å; L423-Y500 VanDerWaalsContact O-CE2 3.32Å; L423-Y500 WeakPolarHBondContact O-CE2 3.44Å; L423-Y500 PolarHBondContact O-OH 2.98Å
424V92.1Very high90.9Very high96 Ų9651.5 Ų51.558%0.58228%0.283SS*.Hα-helixtrans-62.8-39.4-177.6174.40000112.2S420 G426 L427S420-V424 WeakPolarHBondContact O-CB 3.41Å; S420-V424 WeakPolarHBondContact O-CG2 3.17Å; S420-V424 PolarHBondContact O-N 3.45Å; V424-G426 VanDerWaalsContact C-N 3.27Å; V424-G426 PolarHBondContact O-N 3.43Å; V424-L427 WeakPolarHBondContact O-CB 3.07Å; V424-L427 PolarHBondContact O-N 2.93Å
425G90.9Very high91.2Very high4 Ų449.5 Ų49.54%0.04127%0.266CS..Hα-helixtrans-66.8-24.6-176.200000114.4L421 L423 L427 P429 V470L421-G425 PolarHBondContact O-N 2.92Å; L423-G425 VanDerWaalsContact C-N 3.33Å; L423-G425 PolarHBondContact O-N 2.88Å; G425-L427 VanDerWaalsContact C-N 3.33Å; G425-P429 WeakPolarHBondContact O-CD 3.1Å; G425-V470 VanDerWaalsContact O-CG1 3.26Å; G425-V470 WeakPolarHBondContact O-CG1 3.42Å
426G92.8Very high91.4Very high0 Ų043.7 Ų43.70%024%0.244CC..Hα-helixtrans-76.6-19.5178.500000114.5V422 L423 V424 P429 F430 S496V422-G426 PolarHBondContact O-N 3.39Å; L423-G426 PolarHBondContact O-N 3.36Å; V424-G426 VanDerWaalsContact C-N 3.27Å; V424-G426 PolarHBondContact O-N 3.43Å; G426-P429 WeakPolarHBondContact O-CD 3.47Å; G426-F430 VanDerWaalsContact O-CB 3.31Å; G426-F430 WeakPolarHBondContact O-CB 3.42Å; G426-F430 PolarHBondContact O-N 3.46Å; G426-F430 VanDerWaalsContact O-N 3.16Å; G426-S496 WeakPolarHBondContact CA-OG 3.4Å; G426-S496 PolarHBondContact N-OG 2.93Å; G426-S496 VanDerWaalsContact N-OG 3.15Å
427L93.3Very high91.7Very high91 Ų9141.7 Ų41.748%0.47623%0.234SC..Hα-helixtrans-69.6-40.6-172.4-173.864.1000112.5V424 G425 G431 Y500V424-L427 WeakPolarHBondContact O-CB 3.07Å; V424-L427 PolarHBondContact O-N 2.93Å; G425-L427 VanDerWaalsContact C-N 3.33Å; L427-G431 PolarHBondContact O-N 3.27Å; L427-Y500 HydrophobicContact CB-CE2 4.36Å; L427-Y500 HydrophobicContact CD1-CE1 4.21Å
428L90.8Very high91.7Very high65 Ų6540.8 Ų40.834%0.3423%0.228SC..Hα-helixtrans-69.4-48.4-178.9-60.1178.1000112.8M204 L208 F430 G431 S432 V470M204-L428 HydrophobicContact CE-CD2 3.75Å; L208-L428 HydrophobicContact CD1-CD1 4.39Å; L208-L428 HydrophobicContact CD2-CD1 3.97Å; L428-F430 VanDerWaalsContact C-N 3.31Å; L428-F430 PolarHBondContact O-N 3.25Å; L428-G431 PolarHBondContact O-N 3.05Å; L428-S432 PolarHBondContact O-N 2.93Å; L428-V470 HydrophobicContact CB-CG2 4.12Å; L428-V470 HydrophobicContact CD1-CG2 4.07Å
429P93.6Very high91.6Very high1 Ų139.5 Ų39.51%0.00622%0.218CC..Hα-helixtrans-61.9-38.7173.7-13.222.6000112.5G425 G426 S432 I433 L463 V466 T467 V470 T497G425-P429 WeakPolarHBondContact O-CD 3.1Å; G426-P429 WeakPolarHBondContact O-CD 3.47Å; P429-S432 PolarHBondContact O-N 3.25Å; P429-S432 PolarHBondContact O-OG 3.38Å; P429-I433 PolarHBondContact O-N 3.02Å; P429-L463 HydrophobicContact CB-CD1 3.83Å; P429-V466 HydrophobicContact CB-CG1 3.97Å; P429-V466 HydrophobicContact CG-CG1 3.95Å; P429-T467 HydrophobicContact CB-CG2 3.78Å; P429-T467 HydrophobicContact CG-CG2 3.95Å; P429-V470 HydrophobicContact CG-CG2 4.47Å; P429-T497 HydrophobicContact CB-CG2 4.02Å; P429-T497 WeakPolarHBondContact CB-OG1 3.41Å
430F93.9Very high91.5Very high27 Ų2736 Ų3612%0.11820%0.2CC..Hα-helixtrans-60.6-47.7174.2170.3-108.9000111.9G426 L428 S432 I433 F434 T497 Y500 V501 Y504G426-F430 VanDerWaalsContact O-CB 3.31Å; G426-F430 WeakPolarHBondContact O-CB 3.42Å; G426-F430 PolarHBondContact O-N 3.46Å; G426-F430 VanDerWaalsContact O-N 3.16Å; L428-F430 VanDerWaalsContact C-N 3.31Å; L428-F430 PolarHBondContact O-N 3.25Å; F430-S432 PolarHBondContact O-N 3.06Å; F430-I433 WeakPolarHBondContact O-CG1 3.4Å; F430-I433 PolarHBondContact O-N 3.24Å; F430-I433 VanDerWaalsContact O-N 3.11Å; F430-F434 AromaticContact CE1-CD2 3.94Å; F430-F434 HydrophobicContact CE1-CD2 3.94Å; F430-F434 HydrophobicContact CE1-CE2 4.49Å; F430-F434 HydrophobicContact CE2-CD2 4.15Å; F430-F434 AromaticContact CZ-CD2 3.52Å; F430-F434 HydrophobicContact CZ-CD2 3.52Å; F430-F434 HydrophobicContact CZ-CE2 4.02Å; F430-F434 PolarHBondContact O-N 2.89Å; F430-T497 HydrophobicContact CB-CG2 4.39Å; F430-Y500 HydrophobicContact CB-CD2 4.44Å; F430-Y500 HydrophobicContact CB-CG 4.29Å; F430-Y500 HydrophobicContact CD1-CG 4.34Å; F430-Y500 VanDerWaalsContact CG-CB 3.45Å; F430-Y500 HydrophobicContact CG-CG 4.25Å; F430-V501 HydrophobicContact CD2-CG2 3.84Å; F430-V501 HydrophobicContact CE2-CG2 4.2Å; F430-Y504 HydrophobicContact CZ-CG 4.35Å
431G90.9Very high91.3Very high49 Ų4934.9 Ų34.951%0.50519%0.191SC..Hα-helixtrans-57.3-35.8176.400000112.9L427 L428 I433L427-G431 PolarHBondContact O-N 3.27Å; L428-G431 PolarHBondContact O-N 3.05Å; G431-I433 VanDerWaalsContact C-N 3.34Å; G431-I433 PolarHBondContact O-N 3.37Å
432S89.3Confident91.1Very high9 Ų934.3 Ų34.36%0.06319%0.189CC..Hα-helixtrans-68.2-28.1178.176.30000114.4A201 L428 P429 F430A201-S432 WeakPolarHBondContact CB-O 3.47Å; L428-S432 PolarHBondContact O-N 2.93Å; P429-S432 PolarHBondContact O-N 3.25Å; P429-S432 PolarHBondContact O-OG 3.38Å; F430-S432 PolarHBondContact O-N 3.06Å
433I91.1Very high90.7Very high10 Ų1033.9 Ų33.95%0.05119%0.187CC..Hα-helixtrans-107-2.9-17866173.6000113.2P429 F430 G431 I435 E436 V437 V459 L463 T497 V501P429-I433 PolarHBondContact O-N 3.02Å; F430-I433 WeakPolarHBondContact O-CG1 3.4Å; F430-I433 PolarHBondContact O-N 3.24Å; F430-I433 VanDerWaalsContact O-N 3.11Å; G431-I433 VanDerWaalsContact C-N 3.34Å; G431-I433 PolarHBondContact O-N 3.37Å; I433-I435 VanDerWaalsContact C-N 3.34Å; I433-I435 PolarHBondContact O-N 3.47Å; I433-E436 PolarHBondContact O-N 2.87Å; I433-V437 HydrophobicContact CB-CG2 4.26Å; I433-V437 HydrophobicContact CD1-CG2 3.81Å; I433-V437 HydrophobicContact CG1-CG2 3.81Å; I433-V437 WeakPolarHBondContact O-CG2 3.46Å; I433-V437 PolarHBondContact O-N 3.26Å; I433-V459 HydrophobicContact CB-CG1 4.45Å; I433-V459 HydrophobicContact CG2-CG1 3.89Å; I433-L463 HydrophobicContact CD1-CD1 4.3Å; I433-L463 HydrophobicContact CD1-CD2 4.31Å; I433-L463 HydrophobicContact CG2-CB 3.99Å; I433-L463 HydrophobicContact CG2-CD1 3.89Å; I433-L463 HydrophobicContact CG2-CD2 4.32Å; I433-L463 HydrophobicContact CG2-CG 4.28Å; I433-T497 HydrophobicContact CD1-CG2 4.08Å; I433-V501 HydrophobicContact CD1-CG2 4.18Å
434F91.1Very high90.3Very high85 Ų8535.7 Ų35.737%0.37319%0.191SC..Hα-helixtrans-51.8-47.7-169.4176.5-102.7000113.8F430 E436 V437 Y438 Y504F430-F434 AromaticContact CE1-CD2 3.94Å; F430-F434 HydrophobicContact CE1-CD2 3.94Å; F430-F434 HydrophobicContact CE1-CE2 4.49Å; F430-F434 HydrophobicContact CE2-CD2 4.15Å; F430-F434 AromaticContact CZ-CD2 3.52Å; F430-F434 HydrophobicContact CZ-CD2 3.52Å; F430-F434 HydrophobicContact CZ-CE2 4.02Å; F430-F434 PolarHBondContact O-N 2.89Å; F434-E436 VanDerWaalsContact C-N 3.34Å; F434-E436 PolarHBondContact O-N 3.19Å; F434-V437 PolarHBondContact O-N 2.97Å; F434-Y438 PolarHBondContact O-N 3.39Å; F434-Y438 VanDerWaalsContact O-N 3.15Å; F434-Y504 HydrophobicContact CD2-CD2 4.37Å; F434-Y504 HydrophobicContact CD2-CE2 4.34Å; F434-Y504 AromaticContact CE2-CD2 3.55Å; F434-Y504 HydrophobicContact CE2-CD2 3.55Å; F434-Y504 AromaticContact CE2-CE2 3.35Å; F434-Y504 HydrophobicContact CE2-CE2 3.35Å; F434-Y504 HydrophobicContact CE2-CG 4.37Å; F434-Y504 HydrophobicContact CZ-CD2 4.33Å; F434-Y504 AromaticContact CZ-CE2 3.72Å; F434-Y504 HydrophobicContact CZ-CE2 3.72Å
435I89.3Confident90Very high48 Ų4831.6 Ų31.625%0.24617%0.166CC..Hα-helixtrans-65.4-39.6-179-64.8170.6000110.8I193 F196 S197 I433 Y438 F439I193-I435 HydrophobicContact CG2-CG2 4.13Å; F196-I435 HydrophobicContact CD1-CD1 4.47Å; S197-I435 WeakPolarHBondContact OG-CB 3.35Å; I433-I435 VanDerWaalsContact C-N 3.34Å; I433-I435 PolarHBondContact O-N 3.47Å; I435-Y438 WeakPolarHBondContact O-CB 3.25Å; I435-Y438 PolarHBondContact O-N 3.27Å; I435-F439 HydrophobicContact CG2-CD2 4.05Å; I435-F439 HydrophobicContact CG2-CE2 3.68Å; I435-F439 WeakPolarHBondContact O-CD2 3.11Å; I435-F439 PolarHBondContact O-N 3.3Å
436E88.7Confident89.3Confident3 Ų333.1 Ų33.11%0.01418%0.178CC..Hα-helixtrans-73.2-35.6-180-62.8-62.6147.200112.1H194 S197 I433 F434 Y438 F439 I440 V459H194-E436 IonicContact CE1-OE1 3.74Å; H194-E436 IonicContact CE1-OE2 3.56Å; H194-E436 IonicContact CG-OE1 2.78Å; H194-E436 IonicContact ND1-OE1 3.81Å; H194-E436 PolarHBondContact ND1-OE1 3.42Å; H194-E436 IonicContact ND1-OE2 3.99Å; H194-E436 PolarHBondContact ND1-OE2 2.95Å; H194-E436 VanDerWaalsContact ND1-OE2 3.16Å; S197-E436 PolarHBondContact OG-OE1 3.17Å; I433-E436 PolarHBondContact O-N 2.87Å; F434-E436 VanDerWaalsContact C-N 3.34Å; F434-E436 PolarHBondContact O-N 3.19Å; E436-Y438 VanDerWaalsContact C-N 3.26Å; E436-Y438 PolarHBondContact O-N 3.27Å; E436-F439 PolarHBondContact O-N 3.49Å; E436-F439 VanDerWaalsContact O-N 3.13Å; E436-I440 VanDerWaalsContact O-CG1 3.3Å; E436-I440 WeakPolarHBondContact O-CG1 3.38Å; E436-I440 PolarHBondContact O-N 3.14Å; E436-V459 HydrophobicContact CB-CG1 4.25Å; E436-V459 HydrophobicContact CG-CG1 4.19Å; E436-V459 HydrophobicContact CG-CG2 3.69Å
437V91Very high88.1Confident6 Ų637.7 Ų37.74%0.03620%0.196CC..Hα-helixtrans-58.6-41171.4171.40000110.3I433 F434 F439 I440 F441 V501 Y504I433-V437 HydrophobicContact CB-CG2 4.26Å; I433-V437 HydrophobicContact CD1-CG2 3.81Å; I433-V437 HydrophobicContact CG1-CG2 3.81Å; I433-V437 WeakPolarHBondContact O-CG2 3.46Å; I433-V437 PolarHBondContact O-N 3.26Å; F434-V437 PolarHBondContact O-N 2.97Å; V437-F439 PolarHBondContact O-N 3.4Å; V437-I440 PolarHBondContact O-N 3.17Å; V437-F441 HydrophobicContact CG1-CD2 3.7Å; V437-F441 HydrophobicContact CG1-CE2 3.61Å; V437-F441 HydrophobicContact CG1-CZ 4.39Å; V437-F441 WeakPolarHBondContact O-CB 3.19Å; V437-F441 WeakPolarHBondContact O-CD2 3.43Å; V437-F441 PolarHBondContact O-N 2.97Å; V437-V501 HydrophobicContact CG1-CG1 4.22Å; V437-V501 HydrophobicContact CG2-CG2 4.31Å; V437-Y504 HydrophobicContact CG1-CD1 3.78Å; V437-Y504 HydrophobicContact CG1-CE1 4.01Å
438Y90.3Very high87.2Confident68 Ų6836.3 Ų36.327%0.26719%0.186SC..Hα-helixtrans-58.2-47.7173.3172.7-100.8000112F188 F434 I435 E436 F441 T442 Y504 Y508F188-Y438 HydrophobicContact CZ-CE1 4.34Å; F434-Y438 PolarHBondContact O-N 3.39Å; F434-Y438 VanDerWaalsContact O-N 3.15Å; I435-Y438 WeakPolarHBondContact O-CB 3.25Å; I435-Y438 PolarHBondContact O-N 3.27Å; E436-Y438 VanDerWaalsContact C-N 3.26Å; E436-Y438 PolarHBondContact O-N 3.27Å; Y438-F441 PolarHBondContact O-N 3.02Å; Y438-T442 HydrophobicContact CD1-CG2 4.33Å; Y438-T442 HydrophobicContact CD2-CG2 4.2Å; Y438-T442 HydrophobicContact CE1-CG2 3.96Å; Y438-T442 HydrophobicContact CE2-CG2 3.84Å; Y438-T442 HydrophobicContact CG-CG2 4.46Å; Y438-T442 VanDerWaalsContact O-CG2 3.26Å; Y438-T442 WeakPolarHBondContact O-CG2 3.33Å; Y438-T442 PolarHBondContact O-N 3.48Å; Y438-T442 PolarHBondContact O-OG1 3.49Å; Y438-Y504 VanDerWaalsContact CD2-OH 3.29Å; Y438-Y504 WeakPolarHBondContact CD2-OH 3.37Å; Y438-Y508 HydrophobicContact CD2-CD2 4.31Å; Y438-Y508 AromaticContact CD2-CE2 3.83Å; Y438-Y508 HydrophobicContact CD2-CE2 3.83Å; Y438-Y508 AromaticContact CE2-CE2 3.92Å; Y438-Y508 HydrophobicContact CE2-CE2 3.92Å
439F88.1Confident86.6Confident6 Ų635.7 Ų35.73%0.02618%0.182CC..Hα-helixtrans-61.8-47.6177.8-75.6-69.4000112.1F188 F189 I193 H194 I435 E436 V437 F441 T442 S443F188-F439 HydrophobicContact CD1-CD1 4.43Å; F188-F439 HydrophobicContact CD1-CE1 4.44Å; F188-F439 AromaticContact CE1-CD1 3.71Å; F188-F439 HydrophobicContact CE1-CD1 3.71Å; F188-F439 AromaticContact CE1-CE1 3.99Å; F188-F439 HydrophobicContact CE1-CE1 3.99Å; F188-F439 HydrophobicContact CZ-CD1 4.07Å; F188-F439 HydrophobicContact CZ-CE1 4.15Å; F189-F439 HydrophobicContact CD1-CD1 4.2Å; F189-F439 HydrophobicContact CE1-CD1 4.25Å; I193-F439 HydrophobicContact CB-CE2 4.4Å; I193-F439 HydrophobicContact CB-CZ 4.12Å; I193-F439 HydrophobicContact CD1-CZ 4.3Å; I193-F439 HydrophobicContact CG2-CE2 3.72Å; I193-F439 HydrophobicContact CG2-CZ 3.73Å; H194-F439 AromaticContact CE1-CD2 3.48Å; H194-F439 VanDerWaalsContact CE1-CD2 3.48Å; H194-F439 WeakPolarHBondContact CE1-CD2 3.42Å; H194-F439 AromaticContact CE1-CE2 3.76Å; H194-F439 AromaticContact CE1-CG 3.67Å; H194-F439 AromaticContact ND1-CD2 3.96Å; I435-F439 HydrophobicContact CG2-CD2 4.05Å; I435-F439 HydrophobicContact CG2-CE2 3.68Å; I435-F439 WeakPolarHBondContact O-CD2 3.11Å; I435-F439 PolarHBondContact O-N 3.3Å; E436-F439 PolarHBondContact O-N 3.49Å; E436-F439 VanDerWaalsContact O-N 3.13Å; V437-F439 PolarHBondContact O-N 3.4Å; F439-F441 VanDerWaalsContact C-N 3.29Å; F439-F441 PolarHBondContact O-N 2.79Å; F439-T442 WeakPolarHBondContact CA-OG1 3.49Å; F439-T442 PolarHBondContact O-N 2.74Å; F439-T442 PolarHBondContact O-OG1 3.16Å; F439-S443 PolarHBondContact O-N 3.5Å; F439-S443 PolarHBondContact O-OG 3.27Å; F439-S443 VanDerWaalsContact O-OG 3.12Å
440I88.8Confident85.9Confident46 Ų4636.7 Ų36.724%0.23619%0.186CC..Hα-helixtrans-57-44.7177.2-68165.9000110.7E436 V437 S443 F444E436-I440 VanDerWaalsContact O-CG1 3.3Å; E436-I440 WeakPolarHBondContact O-CG1 3.38Å; E436-I440 PolarHBondContact O-N 3.14Å; V437-I440 PolarHBondContact O-N 3.17Å; I440-S443 PolarHBondContact O-N 3.26Å; I440-F444 WeakPolarHBondContact O-CB 3.48Å; I440-F444 PolarHBondContact O-N 3.33Å
441F91.1Very high85.2Confident5 Ų537.8 Ų37.82%0.02219%0.19CC..Hα-helixtrans-65.3-43.2178.9-86.7-122.8000111.6V437 Y438 F439 S443 F444 W445 V501 A505 Y508 T528 F531V437-F441 HydrophobicContact CG1-CD2 3.7Å; V437-F441 HydrophobicContact CG1-CE2 3.61Å; V437-F441 HydrophobicContact CG1-CZ 4.39Å; V437-F441 WeakPolarHBondContact O-CB 3.19Å; V437-F441 WeakPolarHBondContact O-CD2 3.43Å; V437-F441 PolarHBondContact O-N 2.97Å; Y438-F441 PolarHBondContact O-N 3.02Å; F439-F441 VanDerWaalsContact C-N 3.29Å; F439-F441 PolarHBondContact O-N 2.79Å; F441-S443 VanDerWaalsContact C-N 3.32Å; F441-S443 PolarHBondContact O-N 2.83Å; F441-F444 PolarHBondContact O-N 3.02Å; F441-W445 AromaticContact CD1-CD1 3.92Å; F441-W445 AromaticContact CD1-NE1 3.96Å; F441-W445 VanDerWaalsContact O-CB 3.26Å; F441-W445 WeakPolarHBondContact O-CB 3.36Å; F441-W445 VanDerWaalsContact O-CD1 3.26Å; F441-W445 PolarHBondContact O-N 3.29Å; F441-V501 HydrophobicContact CE2-CG1 4.28Å; F441-V501 HydrophobicContact CZ-CG1 4.24Å; F441-A505 HydrophobicContact CE1-CB 3.45Å; F441-A505 VanDerWaalsContact CE1-CB 3.45Å; F441-A505 HydrophobicContact CZ-CB 3.87Å; F441-Y508 HydrophobicContact CB-CD1 4.45Å; F441-Y508 HydrophobicContact CB-CD2 4.29Å; F441-Y508 HydrophobicContact CB-CE1 4.2Å; F441-Y508 HydrophobicContact CB-CE2 4.04Å; F441-Y508 HydrophobicContact CB-CG 4.5Å; F441-Y508 HydrophobicContact CD1-CD1 4.03Å; F441-Y508 HydrophobicContact CD1-CG 4.03Å; F441-T528 HydrophobicContact CZ-CG2 4.38Å; F441-F531 HydrophobicContact CE2-CD1 4.48Å; F441-F531 HydrophobicContact CE2-CE1 4.12Å
442T88.4Confident84.8Confident7 Ų735.8 Ų35.84%0.04317%0.168CC..Hα-helixtrans-63.6-38.4175.459.70000112F188 Y438 F439 A446 Y508F188-T442 WeakPolarHBondContact CE1-OG1 3.36Å; F188-T442 HydrophobicContact CZ-CG2 3.98Å; F188-T442 WeakPolarHBondContact CZ-OG1 3.39Å; Y438-T442 HydrophobicContact CD1-CG2 4.33Å; Y438-T442 HydrophobicContact CD2-CG2 4.2Å; Y438-T442 HydrophobicContact CE1-CG2 3.96Å; Y438-T442 HydrophobicContact CE2-CG2 3.84Å; Y438-T442 HydrophobicContact CG-CG2 4.46Å; Y438-T442 VanDerWaalsContact O-CG2 3.26Å; Y438-T442 WeakPolarHBondContact O-CG2 3.33Å; Y438-T442 PolarHBondContact O-N 3.48Å; Y438-T442 PolarHBondContact O-OG1 3.49Å; F439-T442 WeakPolarHBondContact CA-OG1 3.49Å; F439-T442 PolarHBondContact O-N 2.74Å; F439-T442 PolarHBondContact O-OG1 3.16Å; T442-A446 CarbonylContact O-C 3.53Å; T442-A446 VanDerWaalsContact O-CA 3.24Å; T442-A446 WeakPolarHBondContact O-CA 3.12Å; T442-A446 WeakPolarHBondContact O-CB 3.48Å; T442-A446 PolarHBondContact O-N 3.15Å; T442-Y508 VanDerWaalsContact CA-OH 3.31Å; T442-Y508 WeakPolarHBondContact CA-OH 3.21Å; T442-Y508 HydrophobicContact CG2-CE2 4.1Å; T442-Y508 WeakPolarHBondContact CG2-OH 3.29Å; T442-Y508 PolarHBondContact N-OH 3.36Å
443S85.8Confident84.7Confident13 Ų1336.4 Ų36.49%0.09117%0.169CC..Hα-helixtrans-66-48.8177.2-64.50000112.1F189 F439 I440 F441 Y447 K448F189-S443 WeakPolarHBondContact CZ-OG 3.38Å; F439-S443 PolarHBondContact O-N 3.5Å; F439-S443 PolarHBondContact O-OG 3.27Å; F439-S443 VanDerWaalsContact O-OG 3.12Å; I440-S443 PolarHBondContact O-N 3.26Å; F441-S443 VanDerWaalsContact C-N 3.32Å; F441-S443 PolarHBondContact O-N 2.83Å; S443-Y447 WeakPolarHBondContact O-CA 3.46Å; S443-Y447 PolarHBondContact O-N 2.88Å; S443-Y447 VanDerWaalsContact O-N 3.15Å; S443-K448 WeakPolarHBondContact CA-O 3.42Å; S443-K448 WeakPolarHBondContact CB-O 3.14Å; S443-K448 PolarHBondContact O-N 3.44Å; S443-K448 PolarHBondContact OG-O 3.29Å
444F85.1Confident84.4Confident110 Ų11037.6 Ų37.648%0.48218%0.184SC..Hα-helixtrans-72.2-41.2-175.6-165.9-97.7000112.6I440 F441I440-F444 WeakPolarHBondContact O-CB 3.48Å; I440-F444 PolarHBondContact O-N 3.33Å; F441-F444 PolarHBondContact O-N 3.02Å
445W86.8Confident84.2Confident10 Ų1035 Ų354%0.03817%0.173CC..Hα-helixtrans-94.2-28.4-174.5-62118.2000114Q24 F441 M515 F523 Y524 T528Q24-W445 HydrophobicContact CG-CZ3 4.37Å; F441-W445 AromaticContact CD1-CD1 3.92Å; F441-W445 AromaticContact CD1-NE1 3.96Å; F441-W445 VanDerWaalsContact O-CB 3.26Å; F441-W445 WeakPolarHBondContact O-CB 3.36Å; F441-W445 VanDerWaalsContact O-CD1 3.26Å; F441-W445 PolarHBondContact O-N 3.29Å; W445-M515 HydrophobicContact CB-CE 3.84Å; W445-M515 HydrophobicContact CE3-CE 4.3Å; W445-M515 WeakPolarHBondContact O-CE 3.27Å; W445-F523 HydrophobicContact CH2-CD1 4.12Å; W445-F523 HydrophobicContact CH2-CE1 4.23Å; W445-F523 AromaticContact CZ3-CD1 3.76Å; W445-F523 HydrophobicContact CZ3-CD1 3.76Å; W445-F523 AromaticContact CZ3-CE1 3.86Å; W445-F523 HydrophobicContact CZ3-CE1 3.86Å; W445-Y524 AromaticContact CD1-CE2 3.54Å; W445-Y524 AromaticContact CD2-CD2 3.45Å; W445-Y524 HydrophobicContact CD2-CD2 3.45Å; W445-Y524 VanDerWaalsContact CD2-CD2 3.45Å; W445-Y524 AromaticContact CD2-CE2 3.58Å; W445-Y524 HydrophobicContact CD2-CE2 3.58Å; W445-Y524 AromaticContact CE2-CD2 3.43Å; W445-Y524 VanDerWaalsContact CE2-CD2 3.43Å; W445-Y524 AromaticContact CE2-CE2 3.41Å; W445-Y524 VanDerWaalsContact CE2-CE2 3.41Å; W445-Y524 AromaticContact CE3-CD2 3.73Å; W445-Y524 HydrophobicContact CE3-CD2 3.73Å; W445-Y524 HydrophobicContact CE3-CE2 4.33Å; W445-Y524 AromaticContact CG-CD2 4Å; W445-Y524 HydrophobicContact CG-CD2 4Å; W445-Y524 AromaticContact CG-CE2 3.68Å; W445-Y524 HydrophobicContact CG-CE2 3.68Å; W445-Y524 VanDerWaalsContact CH2-CA 3.49Å; W445-Y524 HydrophobicContact CH2-CD2 4.03Å; W445-Y524 HydrophobicContact CH2-CG 4.43Å; W445-Y524 AromaticContact CZ2-CD2 3.75Å; W445-Y524 HydrophobicContact CZ2-CD2 3.75Å; W445-Y524 HydrophobicContact CZ2-CE2 4.06Å; W445-Y524 HydrophobicContact CZ2-CG 4.32Å; W445-Y524 HydrophobicContact CZ3-CD2 4.01Å; W445-Y524 AromaticContact NE1-CD2 3.9Å; W445-Y524 AromaticContact NE1-CE2 3.34Å; W445-Y524 VanDerWaalsContact NE1-CE2 3.34Å; W445-T528 VanDerWaalsContact CZ2-OG1 3.28Å; W445-T528 WeakPolarHBondContact CZ2-OG1 3.25Å
446A75Confident84.2Confident37 Ų3735.3 Ų35.331%0.30617%0.173SC..SBendtrans-104.314.8176.100000113.4R23 T442 K448R23-A446 PolarHBondContact NH1-O 3.45Å; T442-A446 CarbonylContact O-C 3.53Å; T442-A446 VanDerWaalsContact O-CA 3.24Å; T442-A446 WeakPolarHBondContact O-CA 3.12Å; T442-A446 WeakPolarHBondContact O-CB 3.48Å; T442-A446 PolarHBondContact O-N 3.15Å; A446-K448 PolarHBondContact O-N 3.33Å; A446-K448 VanDerWaalsContact O-N 3.1Å
447Y68.8Low84.3Confident96 Ų9637.4 Ų37.438%0.37619%0.185SC..  trans52.829175.5-91-88.6000114.7R23 R360 S443R23-Y447 HydrophobicContact CB-CD2 3.7Å; R23-Y447 HydrophobicContact CB-CE2 3.72Å; R23-Y447 HydrophobicContact CG-CD2 4.4Å; R360-Y447 PolarHBondContact NH2-OH 3Å; S443-Y447 WeakPolarHBondContact O-CA 3.46Å; S443-Y447 PolarHBondContact O-N 2.88Å; S443-Y447 VanDerWaalsContact O-N 3.15Å
448K74.4Confident84.2Confident62 Ų6240.6 Ų40.627%0.2720%0.201SC..  trans-79128.1168.7-65.2-164.3177.2-158.60108.9D185 F188 F189 S443 A446 Y450D185-K448 WeakPolarHBondContact OD2-CE 3.14Å; D185-K448 IonicContact OD2-NZ 3.39Å; D185-K448 PolarHBondContact OD2-NZ 3.45Å; F188-K448 HydrophobicContact CB-CD 4.38Å; F188-K448 HydrophobicContact CD1-CD 3.51Å; F188-K448 HydrophobicContact CD2-CD 4.37Å; F188-K448 HydrophobicContact CE1-CD 3.77Å; F188-K448 HydrophobicContact CG-CD 3.84Å; F188-K448 HydrophobicContact CZ-CD 4.31Å; F189-K448 HydrophobicContact CE2-CB 4.11Å; F189-K448 HydrophobicContact CZ-CB 4.06Å; S443-K448 WeakPolarHBondContact CA-O 3.42Å; S443-K448 WeakPolarHBondContact CB-O 3.14Å; S443-K448 PolarHBondContact O-N 3.44Å; S443-K448 PolarHBondContact OG-O 3.29Å; A446-K448 PolarHBondContact O-N 3.33Å; A446-K448 VanDerWaalsContact O-N 3.1Å; K448-Y450 PolarHBondContact O-N 2.88Å
449I77.7Confident84.3Confident51 Ų5138.4 Ų38.426%0.26220%0.195SC..  trans-65110.3179.3-57.1175000108.3L184 F189 Y451L184-I449 HydrophobicContact CD2-CB 3.92Å; L184-I449 HydrophobicContact CD2-CD1 4.37Å; L184-I449 HydrophobicContact CD2-CG2 3.6Å; F189-I449 WeakPolarHBondContact CE2-O 3.39Å; I449-Y451 PolarHBondContact O-N 2.84Å
450Y79.2Confident84.5Confident23 Ų2339 Ų399%0.0920%0.2CC..  trans-74.2111.9171-170-94.4000108.5F189 K448 V452 Y453 M456F189-Y450 AromaticContact CE1-CD2 3.81Å; F189-Y450 HydrophobicContact CE1-CD2 3.81Å; F189-Y450 HydrophobicContact CE1-CE2 4.37Å; F189-Y450 HydrophobicContact CZ-CD2 4.38Å; K448-Y450 PolarHBondContact O-N 2.88Å; Y450-V452 HydrophobicContact CE1-CB 4.48Å; Y450-V452 PolarHBondContact OH-O 3.26Å; Y450-Y453 HydrophobicContact CD1-CD1 4.16Å; Y450-Y453 HydrophobicContact CD1-CE1 4.04Å; Y450-Y453 HydrophobicContact CE1-CD1 4.29Å; Y450-Y453 PolarHBondContact O-OH 3.3Å; Y450-M456 HydrophobicContact CE1-CB 4.06Å; Y450-M456 HydrophobicContact CE1-SD 4.17Å
451Y79.3Confident84.7Confident49 Ų4940 Ų4019%0.19221%0.207CC..  trans-109.6-7.4179.272-87.9000113.2L184 F189 I449 Y453L184-Y451 HydrophobicContact CB-CD1 4.18Å; L184-Y451 HydrophobicContact CB-CE1 4.41Å; L184-Y451 HydrophobicContact CD1-CG 4.25Å; L184-Y451 HydrophobicContact CD2-CD1 4.24Å; L184-Y451 HydrophobicContact CD2-CG 4.3Å; F189-Y451 HydrophobicContact CB-CE1 3.57Å; F189-Y451 AromaticContact CD2-CD1 3.92Å; F189-Y451 HydrophobicContact CD2-CD1 3.92Å; F189-Y451 AromaticContact CD2-CE1 3.59Å; F189-Y451 HydrophobicContact CD2-CE1 3.59Å; F189-Y451 HydrophobicContact CE2-CD1 4.46Å; F189-Y451 HydrophobicContact CG-CD1 4.31Å; F189-Y451 AromaticContact CG-CE1 3.79Å; F189-Y451 HydrophobicContact CG-CE1 3.79Å; I449-Y451 PolarHBondContact O-N 2.84Å; Y451-Y453 WeakPolarHBondContact O-CD2 3.32Å; Y451-Y453 PolarHBondContact O-N 3.46Å
452V82.4Confident84.7Confident7 Ų740.3 Ų40.34%0.04221%0.209CC..  trans-89.549.7-166.2-168.90000111.1F189 Y450 G454 F455 M456F189-V452 HydrophobicContact CB-CG2 4.02Å; F189-V452 HydrophobicContact CD1-CG2 4.29Å; F189-V452 HydrophobicContact CG-CG2 4.25Å; Y450-V452 HydrophobicContact CE1-CB 4.48Å; Y450-V452 PolarHBondContact OH-O 3.26Å; V452-G454 VanDerWaalsContact C-N 3.3Å; V452-G454 PolarHBondContact O-N 3.46Å; V452-F455 HydrophobicContact CB-CD2 4.45Å; V452-F455 HydrophobicContact CG1-CB 3.92Å; V452-F455 HydrophobicContact CG1-CD2 3.01Å; V452-F455 HydrophobicContact CG1-CE2 3.61Å; V452-F455 HydrophobicContact CG1-CG 3.72Å; V452-F455 PolarHBondContact O-N 3.48Å; V452-M456 PolarHBondContact O-N 3.44Å
453Y85.5Confident85Confident23 Ų2340.5 Ų40.59%0.0921%0.21CC..Hα-helixtrans-62.9-30.3-172.7-62.9-70.8000114.4S284 Y290 I296 Y450 Y451 F455 M456 L457S284-Y453 VanDerWaalsContact O-CD2 3.29Å; S284-Y453 WeakPolarHBondContact O-CD2 3.4Å; Y290-Y453 HydrophobicContact CD1-CE2 4.43Å; I296-Y453 WeakPolarHBondContact CD1-OH 3.31Å; Y450-Y453 HydrophobicContact CD1-CD1 4.16Å; Y450-Y453 HydrophobicContact CD1-CE1 4.04Å; Y450-Y453 HydrophobicContact CE1-CD1 4.29Å; Y450-Y453 PolarHBondContact O-OH 3.3Å; Y451-Y453 WeakPolarHBondContact O-CD2 3.32Å; Y451-Y453 PolarHBondContact O-N 3.46Å; Y453-F455 VanDerWaalsContact C-N 3.31Å; Y453-F455 PolarHBondContact O-N 2.91Å; Y453-M456 WeakPolarHBondContact O-CB 3.12Å; Y453-M456 PolarHBondContact O-N 3.16Å; Y453-M456 VanDerWaalsContact O-N 3.17Å; Y453-L457 PolarHBondContact O-N 3.24Å
454G86.4Confident85.4Confident35 Ų3540.3 Ų40.336%0.36121%0.209SC..Hα-helixtrans-61.3-38.2176.500000113V452 L457 L458V452-G454 VanDerWaalsContact C-N 3.3Å; V452-G454 PolarHBondContact O-N 3.46Å; G454-L457 PolarHBondContact O-N 3.03Å; G454-L458 PolarHBondContact O-N 3.25Å
455F86.9Confident85.9Confident31 Ų3137.5 Ų37.514%0.13620%0.199CC..Hα-helixtrans-72.3-36.6175.2-68.3-100000111H191 H194 W195 V452 Y453 L457 L458 V459H191-F455 AromaticContact ND1-CE2 3.78Å; H194-F455 HydrophobicContact CB-CD1 3.57Å; H194-F455 HydrophobicContact CB-CE1 3.57Å; H194-F455 HydrophobicContact CB-CG 4.11Å; H194-F455 HydrophobicContact CB-CZ 4.09Å; W195-F455 AromaticContact CD1-CZ 3.92Å; W195-F455 HydrophobicContact CD2-CE1 4.08Å; W195-F455 HydrophobicContact CD2-CZ 4.45Å; W195-F455 AromaticContact CE2-CE1 3.96Å; W195-F455 AromaticContact CE2-CZ 3.92Å; W195-F455 HydrophobicContact CG-CE1 4.14Å; W195-F455 HydrophobicContact CG-CZ 4.43Å; W195-F455 HydrophobicContact CZ2-CZ 4.44Å; W195-F455 AromaticContact NE1-CE1 3.96Å; W195-F455 AromaticContact NE1-CZ 3.58Å; V452-F455 HydrophobicContact CB-CD2 4.45Å; V452-F455 HydrophobicContact CG1-CB 3.92Å; V452-F455 HydrophobicContact CG1-CD2 3.01Å; V452-F455 HydrophobicContact CG1-CE2 3.61Å; V452-F455 HydrophobicContact CG1-CG 3.72Å; V452-F455 PolarHBondContact O-N 3.48Å; Y453-F455 VanDerWaalsContact C-N 3.31Å; Y453-F455 PolarHBondContact O-N 2.91Å; F455-L457 VanDerWaalsContact C-N 3.3Å; F455-L457 PolarHBondContact O-N 3.29Å; F455-L458 PolarHBondContact O-N 3.45Å; F455-V459 WeakPolarHBondContact O-CB 3.02Å; F455-V459 WeakPolarHBondContact O-CG2 3.26Å; F455-V459 PolarHBondContact O-N 3.26Å
456M88.2Confident86.2Confident53 Ų5337.1 Ų37.126%0.26120%0.197SC..Hα-helixtrans-57.7-42.2174.1-170.8172-179.500112V281 Y450 V452 Y453 V459 C460V281-M456 HydrophobicContact CG1-CB 4.34Å; V281-M456 HydrophobicContact CG1-CG 4.44Å; V281-M456 HydrophobicContact CG2-CE 4.13Å; V281-M456 HydrophobicContact CG2-CG 4.2Å; V281-M456 HydrophobicContact CG2-SD 4.06Å; Y450-M456 HydrophobicContact CE1-CB 4.06Å; Y450-M456 HydrophobicContact CE1-SD 4.17Å; V452-M456 PolarHBondContact O-N 3.44Å; Y453-M456 WeakPolarHBondContact O-CB 3.12Å; Y453-M456 PolarHBondContact O-N 3.16Å; Y453-M456 VanDerWaalsContact O-N 3.17Å; M456-V459 PolarHBondContact O-N 2.65Å; M456-C460 PolarHBondContact O-N 3.33Å; M456-C460 PolarHBondContact O-SG 2.88Å
457L90.5Very high87.2Confident48 Ų4835.4 Ų35.425%0.25118%0.183SC..Hα-helixtrans-60.2-48176-174.664.3000111.4L278 V281 M285 Y453 G454 F455 V459 C460 V461L278-L457 HydrophobicContact CD2-CD1 4.01Å; V281-L457 HydrophobicContact CB-CD1 4.48Å; V281-L457 HydrophobicContact CG1-CB 3.67Å; V281-L457 HydrophobicContact CG1-CD1 4.04Å; V281-L457 HydrophobicContact CG1-CG 4.44Å; M285-L457 HydrophobicContact SD-CD2 4.42Å; Y453-L457 PolarHBondContact O-N 3.24Å; G454-L457 PolarHBondContact O-N 3.03Å; F455-L457 VanDerWaalsContact C-N 3.3Å; F455-L457 PolarHBondContact O-N 3.29Å; L457-V459 VanDerWaalsContact C-N 3.34Å; L457-V459 PolarHBondContact O-N 3.32Å; L457-C460 WeakPolarHBondContact O-CB 3.07Å; L457-C460 PolarHBondContact O-N 3.11Å; L457-V461 WeakPolarHBondContact O-CG2 3.39Å; L457-V461 PolarHBondContact O-N 2.77Å
458L90.4Very high88.5Confident72 Ų7234.4 Ų34.438%0.37718%0.183SC..Hα-helixtrans-64.8-40.1-178.1-171.964.6000111.9L198 G454 F455 V461 L462L198-L458 HydrophobicContact CD1-CB 4.42Å; L198-L458 HydrophobicContact CD1-CD2 3.22Å; L198-L458 HydrophobicContact CD1-CG 3.53Å; L198-L458 HydrophobicContact CD2-CD2 3.22Å; L198-L458 HydrophobicContact CD2-CG 4.43Å; L198-L458 HydrophobicContact CG-CD2 3.78Å; G454-L458 PolarHBondContact O-N 3.25Å; F455-L458 PolarHBondContact O-N 3.45Å; L458-V461 PolarHBondContact O-N 3.04Å; L458-L462 WeakPolarHBondContact O-CG 3.34Å; L458-L462 PolarHBondContact O-N 3.11Å
459V91.5Very high89.4Confident22 Ų2232.1 Ų32.113%0.13317%0.174CC..Hα-helixtrans-65.8-38.6175.7173.70000110.9I433 E436 F455 M456 L457 V461 L462 L463I433-V459 HydrophobicContact CB-CG1 4.45Å; I433-V459 HydrophobicContact CG2-CG1 3.89Å; E436-V459 HydrophobicContact CB-CG1 4.25Å; E436-V459 HydrophobicContact CG-CG1 4.19Å; E436-V459 HydrophobicContact CG-CG2 3.69Å; F455-V459 WeakPolarHBondContact O-CB 3.02Å; F455-V459 WeakPolarHBondContact O-CG2 3.26Å; F455-V459 PolarHBondContact O-N 3.26Å; M456-V459 PolarHBondContact O-N 2.65Å; L457-V459 VanDerWaalsContact C-N 3.34Å; L457-V459 PolarHBondContact O-N 3.32Å; V459-V461 VanDerWaalsContact C-N 3.33Å; V459-V461 PolarHBondContact O-N 3.48Å; V459-L462 PolarHBondContact O-N 3.06Å; V459-L463 VanDerWaalsContact O-CB 3.25Å; V459-L463 WeakPolarHBondContact O-CB 3.5Å; V459-L463 PolarHBondContact O-N 2.68Å
460C92.3Very high90.2Very high20 Ų2030.1 Ų30.114%0.13517%0.165CC..Hα-helixtrans-60.6-42.3173-69.60000111.8M456 L457 A464M456-C460 PolarHBondContact O-N 3.33Å; M456-C460 PolarHBondContact O-SG 2.88Å; L457-C460 WeakPolarHBondContact O-CB 3.07Å; L457-C460 PolarHBondContact O-N 3.11Å; C460-A464 WeakPolarHBondContact O-CB 3.41Å; C460-A464 PolarHBondContact O-N 2.78Å
461V92.5Very high90.9Very high65 Ų6529 Ų2939%0.39416%0.161SC..Hα-helixtrans-66.1-45.4176.7173.30000111.3L457 L458 V459 A464 I465L457-V461 WeakPolarHBondContact O-CG2 3.39Å; L457-V461 PolarHBondContact O-N 2.77Å; L458-V461 PolarHBondContact O-N 3.04Å; V459-V461 VanDerWaalsContact C-N 3.33Å; V459-V461 PolarHBondContact O-N 3.48Å; V461-A464 WeakPolarHBondContact O-CB 3.08Å; V461-A464 PolarHBondContact O-N 3.46Å; V461-I465 HydrophobicContact CG1-CD1 4.04Å; V461-I465 WeakPolarHBondContact O-CG1 3.49Å; V461-I465 PolarHBondContact O-N 3.48Å
462L92.2Very high91.6Very high13 Ų1327.1 Ų27.17%0.06816%0.155CC..Hα-helixtrans-63.8-43.7177.6-70.6176.8000111.9L198 A201 F202 V205 L458 V459 A464 I465 V466L198-L462 HydrophobicContact CD1-CD1 3.27Å; L198-L462 HydrophobicContact CG-CD1 4.46Å; A201-L462 HydrophobicContact CB-CD1 4.02Å; F202-L462 HydrophobicContact CD2-CD2 4.38Å; V205-L462 HydrophobicContact CG2-CD2 4Å; L458-L462 WeakPolarHBondContact O-CG 3.34Å; L458-L462 PolarHBondContact O-N 3.11Å; V459-L462 PolarHBondContact O-N 3.06Å; L462-A464 VanDerWaalsContact C-N 3.28Å; L462-A464 PolarHBondContact O-N 3.46Å; L462-I465 PolarHBondContact O-N 2.86Å; L462-I465 VanDerWaalsContact O-N 3.1Å; L462-V466 WeakPolarHBondContact O-CG2 3.4Å; L462-V466 PolarHBondContact O-N 3.49Å
463L93.9Very high92Very high10 Ų1028.2 Ų28.25%0.05216%0.162CC..Hα-helixtrans-57.9-43174.717762.2000111P429 I433 V459 I465 V466 T467 T497 L535P429-L463 HydrophobicContact CB-CD1 3.83Å; I433-L463 HydrophobicContact CD1-CD1 4.3Å; I433-L463 HydrophobicContact CD1-CD2 4.31Å; I433-L463 HydrophobicContact CG2-CB 3.99Å; I433-L463 HydrophobicContact CG2-CD1 3.89Å; I433-L463 HydrophobicContact CG2-CD2 4.32Å; I433-L463 HydrophobicContact CG2-CG 4.28Å; V459-L463 VanDerWaalsContact O-CB 3.25Å; V459-L463 WeakPolarHBondContact O-CB 3.5Å; V459-L463 PolarHBondContact O-N 2.68Å; L463-I465 PolarHBondContact O-N 2.92Å; L463-V466 PolarHBondContact O-N 2.83Å; L463-T467 HydrophobicContact CD1-CG2 3.88Å; L463-T467 HydrophobicContact CG-CG2 4.35Å; L463-T467 WeakPolarHBondContact O-CB 3.33Å; L463-T467 VanDerWaalsContact O-CG2 3.24Å; L463-T467 WeakPolarHBondContact O-CG2 3.4Å; L463-T467 PolarHBondContact O-N 3.46Å; L463-T467 PolarHBondContact O-OG1 3.07Å; L463-T497 HydrophobicContact CD1-CG2 4.24Å; L463-L535 HydrophobicContact CD2-CD1 4.02Å
464A95.3Very high92.4Very high9 Ų927.7 Ų27.77%0.07416%0.161CC..Hα-helixtrans-59.5-47174.700000111F274 C460 V461 L462 T467 M468 I542F274-A464 HydrophobicContact CE2-CB 4.27Å; F274-A464 HydrophobicContact CZ-CB 4.33Å; C460-A464 WeakPolarHBondContact O-CB 3.41Å; C460-A464 PolarHBondContact O-N 2.78Å; V461-A464 WeakPolarHBondContact O-CB 3.08Å; V461-A464 PolarHBondContact O-N 3.46Å; L462-A464 VanDerWaalsContact C-N 3.28Å; L462-A464 PolarHBondContact O-N 3.46Å; A464-T467 WeakPolarHBondContact CA-OG1 3.44Å; A464-T467 PolarHBondContact O-N 2.97Å; A464-T467 PolarHBondContact O-OG1 3.06Å; A464-M468 WeakPolarHBondContact O-CB 3.44Å; A464-M468 WeakPolarHBondContact O-CG 3.36Å; A464-M468 PolarHBondContact O-N 3.36Å; A464-I542 HydrophobicContact CB-CD1 4.05Å; A464-I542 HydrophobicContact CB-CG2 4.33Å
465I94.3Very high92.7Very high52 Ų5226.2 Ų26.227%0.26715%0.145SC..Hα-helixtrans-64-47.1179.6-61.8165.7000111.8V205 V209 V461 L462 L463 T467 M468 C469V205-I465 HydrophobicContact CG1-CB 4.4Å; V205-I465 HydrophobicContact CG1-CG2 3.56Å; V205-I465 HydrophobicContact CG2-CG2 4.37Å; V209-I465 HydrophobicContact CG2-CG2 4.24Å; V461-I465 HydrophobicContact CG1-CD1 4.04Å; V461-I465 WeakPolarHBondContact O-CG1 3.49Å; V461-I465 PolarHBondContact O-N 3.48Å; L462-I465 PolarHBondContact O-N 2.86Å; L462-I465 VanDerWaalsContact O-N 3.1Å; L463-I465 PolarHBondContact O-N 2.92Å; I465-T467 PolarHBondContact O-N 3.28Å; I465-M468 HydrophobicContact CB-CE 4.38Å; I465-M468 HydrophobicContact CG1-CE 4.02Å; I465-M468 PolarHBondContact O-N 2.8Å; I465-C469 PolarHBondContact O-N 3.02Å; I465-C469 PolarHBondContact O-SG 2.8Å; I465-C469 VanDerWaalsContact O-SG 3.36Å
466V94.3Very high92.9Very high1 Ų126.8 Ų26.81%0.00615%0.147CC..Hα-helixtrans-60.2-47.1178.6177.70000110.8V205 L208 P429 L462 L463 M468 C469 V470V205-V466 HydrophobicContact CG2-CG2 3.28Å; L208-V466 HydrophobicContact CD1-CG1 3.78Å; P429-V466 HydrophobicContact CB-CG1 3.97Å; P429-V466 HydrophobicContact CG-CG1 3.95Å; L462-V466 WeakPolarHBondContact O-CG2 3.4Å; L462-V466 PolarHBondContact O-N 3.49Å; L463-V466 PolarHBondContact O-N 2.83Å; V466-M468 PolarHBondContact O-N 2.84Å; V466-C469 PolarHBondContact O-N 3.34Å; V466-V470 HydrophobicContact CG1-CG2 4.18Å; V466-V470 WeakPolarHBondContact O-CG2 3.33Å; V466-V470 PolarHBondContact O-N 3.43Å
467T95.7Very high93Very high1 Ų126.2 Ų26.21%0.00615%0.146CC..Hα-helixtrans-62.5-41.1178.552.20000111.8P429 L463 A464 I465 C469 T471 C539 I542P429-T467 HydrophobicContact CB-CG2 3.78Å; P429-T467 HydrophobicContact CG-CG2 3.95Å; L463-T467 HydrophobicContact CD1-CG2 3.88Å; L463-T467 HydrophobicContact CG-CG2 4.35Å; L463-T467 WeakPolarHBondContact O-CB 3.33Å; L463-T467 VanDerWaalsContact O-CG2 3.24Å; L463-T467 WeakPolarHBondContact O-CG2 3.4Å; L463-T467 PolarHBondContact O-N 3.46Å; L463-T467 PolarHBondContact O-OG1 3.07Å; A464-T467 WeakPolarHBondContact CA-OG1 3.44Å; A464-T467 PolarHBondContact O-N 2.97Å; A464-T467 PolarHBondContact O-OG1 3.06Å; I465-T467 PolarHBondContact O-N 3.28Å; T467-C469 PolarHBondContact O-N 3.44Å; T467-T471 VanDerWaalsContact O-CB 3.3Å; T467-T471 WeakPolarHBondContact O-CB 3.1Å; T467-T471 WeakPolarHBondContact O-CG2 3.27Å; T467-T471 PolarHBondContact O-N 3.35Å; T467-T471 PolarHBondContact O-OG1 2.94Å; T467-C539 HydrophobicContact CG2-CB 4.18Å; T467-I542 WeakPolarHBondContact OG1-CG2 3.24Å
468M95.6Very high93Very high75 Ų7524 Ų2437%0.36913%0.134SC..Hα-helixtrans-59.7-45173.8-70.9-169.2-7100112.1A464 I465 V466 T471 A472 I542 A546A464-M468 WeakPolarHBondContact O-CB 3.44Å; A464-M468 WeakPolarHBondContact O-CG 3.36Å; A464-M468 PolarHBondContact O-N 3.36Å; I465-M468 HydrophobicContact CB-CE 4.38Å; I465-M468 HydrophobicContact CG1-CE 4.02Å; I465-M468 PolarHBondContact O-N 2.8Å; V466-M468 PolarHBondContact O-N 2.84Å; M468-T471 PolarHBondContact O-OG1 2.93Å; M468-T471 VanDerWaalsContact O-OG1 3.05Å; M468-A472 WeakPolarHBondContact O-CB 3.3Å; M468-A472 PolarHBondContact O-N 3.28Å; M468-A472 VanDerWaalsContact O-N 3.12Å; M468-I542 HydrophobicContact CG-CG2 3.44Å; M468-I542 VanDerWaalsContact CG-CG2 3.44Å; M468-I542 HydrophobicContact SD-CG2 4.39Å; M468-A546 HydrophobicContact CB-CB 3.62Å; M468-A546 HydrophobicContact CG-CB 3.61Å; M468-A546 HydrophobicContact SD-CB 4.33Å
469C93.6Very high93.1Very high14 Ų1420.5 Ų20.510%0.09512%0.116CC..Hα-helixtrans-66.6-50.3-179.8-68.90000112.1L208 V209 V212 I465 V466 T467 T471 A472 V473L208-C469 HydrophobicContact CB-CB 3.89Å; V209-C469 VanDerWaalsContact CG2-SG 3.55Å; V212-C469 HydrophobicContact CG2-CB 4.02Å; I465-C469 PolarHBondContact O-N 3.02Å; I465-C469 PolarHBondContact O-SG 2.8Å; I465-C469 VanDerWaalsContact O-SG 3.36Å; V466-C469 PolarHBondContact O-N 3.34Å; T467-C469 PolarHBondContact O-N 3.44Å; C469-T471 VanDerWaalsContact C-N 3.32Å; C469-T471 PolarHBondContact O-N 3.04Å; C469-A472 PolarHBondContact O-N 3.1Å; C469-V473 WeakPolarHBondContact O-CG2 3.28Å; C469-V473 PolarHBondContact O-N 3.42Å
470V94.1Very high92.9Very high9 Ų922.1 Ų22.16%0.05512%0.124CC..Hα-helixtrans-63.1-42-177177.40000110.9L208 G425 L428 P429 V466 A472 V473 S474 V493L208-V470 HydrophobicContact CD1-CG2 3.82Å; L208-V470 HydrophobicContact CD2-CG2 4.34Å; G425-V470 VanDerWaalsContact O-CG1 3.26Å; G425-V470 WeakPolarHBondContact O-CG1 3.42Å; L428-V470 HydrophobicContact CB-CG2 4.12Å; L428-V470 HydrophobicContact CD1-CG2 4.07Å; P429-V470 HydrophobicContact CG-CG2 4.47Å; V466-V470 HydrophobicContact CG1-CG2 4.18Å; V466-V470 WeakPolarHBondContact O-CG2 3.33Å; V466-V470 PolarHBondContact O-N 3.43Å; V470-A472 PolarHBondContact O-N 3Å; V470-V473 PolarHBondContact O-N 3.47Å; V470-S474 PolarHBondContact O-N 3.38Å; V470-S474 PolarHBondContact O-OG 3.26Å; V470-S474 VanDerWaalsContact O-OG 3.11Å; V470-V493 HydrophobicContact CG1-CG1 4.24Å
471T95.1Very high92.7Very high1 Ų121.6 Ų21.61%0.00612%0.121CC..Hα-helixtrans-67.1-34.9178.756.30000112.6T467 M468 C469 C475 V493 G543T467-T471 VanDerWaalsContact O-CB 3.3Å; T467-T471 WeakPolarHBondContact O-CB 3.1Å; T467-T471 WeakPolarHBondContact O-CG2 3.27Å; T467-T471 PolarHBondContact O-N 3.35Å; T467-T471 PolarHBondContact O-OG1 2.94Å; M468-T471 PolarHBondContact O-OG1 2.93Å; M468-T471 VanDerWaalsContact O-OG1 3.05Å; C469-T471 VanDerWaalsContact C-N 3.32Å; C469-T471 PolarHBondContact O-N 3.04Å; T471-C475 WeakPolarHBondContact O-CB 3.31Å; T471-C475 PolarHBondContact O-N 3.37Å; T471-V493 HydrophobicContact CG2-CB 4.06Å; T471-V493 HydrophobicContact CG2-CG1 3.63Å; T471-G543 VanDerWaalsContact CG2-CA 3.5Å; T471-G543 WeakPolarHBondContact OG1-CA 3.02Å; T471-G543 PolarHBondContact OG1-O 2.94Å
472A93.1Very high92.5Very high9 Ų920 Ų207%0.07411%0.109CC..Hα-helixtrans-63.9-43.7172.100000111.9M468 C469 V470 C475 Y476 F550M468-A472 WeakPolarHBondContact O-CB 3.3Å; M468-A472 PolarHBondContact O-N 3.28Å; M468-A472 VanDerWaalsContact O-N 3.12Å; C469-A472 PolarHBondContact O-N 3.1Å; V470-A472 PolarHBondContact O-N 3Å; A472-C475 PolarHBondContact O-N 3.01Å; A472-Y476 WeakPolarHBondContact O-CB 3.17Å; A472-Y476 PolarHBondContact O-N 3.03Å; A472-F550 HydrophobicContact CB-CB 4.5Å; A472-F550 HydrophobicContact CB-CG 4.35Å
473V91.5Very high92.4Very high30 Ų3019.3 Ų19.318%0.18211%0.106CC..Hα-helixtrans-63.7-49.9176.4177.70000111L211 V212 I215 C469 V470 C475 Y476 V477L211-V473 HydrophobicContact CD2-CB 4.43Å; L211-V473 HydrophobicContact CD2-CG1 4.08Å; L211-V473 HydrophobicContact CD2-CG2 3.42Å; L211-V473 VanDerWaalsContact CD2-CG2 3.42Å; V212-V473 HydrophobicContact CG2-CG2 3.55Å; I215-V473 HydrophobicContact CD1-CG1 4.26Å; I215-V473 HydrophobicContact CD1-CG2 4.21Å; C469-V473 WeakPolarHBondContact O-CG2 3.28Å; C469-V473 PolarHBondContact O-N 3.42Å; V470-V473 PolarHBondContact O-N 3.47Å; V473-C475 VanDerWaalsContact C-N 3.28Å; V473-C475 PolarHBondContact O-N 3.23Å; V473-Y476 WeakPolarHBondContact O-CB 3.44Å; V473-Y476 PolarHBondContact O-N 2.75Å; V473-Y476 VanDerWaalsContact O-N 3.12Å; V473-V477 WeakPolarHBondContact O-CG2 3.39Å; V473-V477 PolarHBondContact O-N 2.9Å
474S92.5Very high92.3Very high11 Ų1120.9 Ų20.98%0.07711%0.112CC..Hα-helixtrans-61-39178.3-610000111.7V470 V477 L478V470-S474 PolarHBondContact O-N 3.38Å; V470-S474 PolarHBondContact O-OG 3.26Å; V470-S474 VanDerWaalsContact O-OG 3.11Å; S474-V477 PolarHBondContact O-N 3.25Å; S474-L478 WeakPolarHBondContact O-CB 3.44Å; S474-L478 PolarHBondContact O-N 3.4Å
475C93.1Very high92.2Very high4 Ų426.7 Ų26.73%0.02713%0.131CC..Hα-helixtrans-62.8-44174.1-172.40000111.3T471 A472 V473 L478 L479 A547 V551T471-C475 WeakPolarHBondContact O-CB 3.31Å; T471-C475 PolarHBondContact O-N 3.37Å; A472-C475 PolarHBondContact O-N 3.01Å; V473-C475 VanDerWaalsContact C-N 3.28Å; V473-C475 PolarHBondContact O-N 3.23Å; C475-L478 PolarHBondContact O-N 2.98Å; C475-L479 VanDerWaalsContact O-CG 3.22Å; C475-L479 WeakPolarHBondContact O-CG 3.38Å; C475-L479 PolarHBondContact O-N 3.04Å; C475-A547 HydrophobicContact CB-CB 4.15Å; C475-V551 VanDerWaalsContact SG-CG2 3.57Å
476Y90.5Very high92.2Very high43 Ų4324.3 Ų24.317%0.16912%0.119CC..Hα-helixtrans-63.3-43.2177.2-178.4-107.7000112.3I215 T219 A472 V473 L478 L479 N480 F550I215-Y476 HydrophobicContact CD1-CD1 4.48Å; I215-Y476 HydrophobicContact CG2-CD1 3.5Å; I215-Y476 HydrophobicContact CG2-CD2 4.24Å; I215-Y476 HydrophobicContact CG2-CE1 3.49Å; I215-Y476 VanDerWaalsContact CG2-CE1 3.49Å; I215-Y476 HydrophobicContact CG2-CE2 4.24Å; I215-Y476 HydrophobicContact CG2-CG 3.89Å; T219-Y476 HydrophobicContact CG2-CE2 4.35Å; T219-Y476 PolarHBondContact OG1-OH 3.24Å; A472-Y476 WeakPolarHBondContact O-CB 3.17Å; A472-Y476 PolarHBondContact O-N 3.03Å; V473-Y476 WeakPolarHBondContact O-CB 3.44Å; V473-Y476 PolarHBondContact O-N 2.75Å; V473-Y476 VanDerWaalsContact O-N 3.12Å; Y476-L478 VanDerWaalsContact C-N 3.33Å; Y476-L478 PolarHBondContact O-N 2.9Å; Y476-L479 PolarHBondContact O-N 3.01Å; Y476-N480 VanDerWaalsContact CD1-ND2 3.27Å; Y476-N480 WeakPolarHBondContact CD1-ND2 3.32Å; Y476-N480 WeakPolarHBondContact CE1-ND2 3.47Å; Y476-N480 PolarHBondContact O-N 3.27Å; Y476-N480 PolarHBondContact O-ND2 3.08Å; Y476-F550 HydrophobicContact CD2-CE1 4.17Å; Y476-F550 AromaticContact CD2-CZ 3.87Å; Y476-F550 HydrophobicContact CD2-CZ 3.87Å; Y476-F550 HydrophobicContact CG-CE1 4.48Å; Y476-F550 HydrophobicContact CG-CZ 4.23Å
477V90.4Very high92.3Very high41 Ų4124.8 Ų24.825%0.24812%0.121CC..Hα-helixtrans-60.8-43.3175.4173.40000111.1M416 L421 V473 S474 N480 A481M416-V477 HydrophobicContact CG-CG1 4.24Å; L421-V477 HydrophobicContact CD1-CG1 4.49Å; L421-V477 HydrophobicContact CD2-CB 4.37Å; L421-V477 HydrophobicContact CD2-CG1 4.01Å; V473-V477 WeakPolarHBondContact O-CG2 3.39Å; V473-V477 PolarHBondContact O-N 2.9Å; S474-V477 PolarHBondContact O-N 3.25Å; V477-N480 PolarHBondContact O-N 3.11Å; V477-A481 PolarHBondContact O-N 2.96Å
478L91.8Very high92.3Very high1 Ų127.1 Ų27.11%0.00513%0.13CC..Hα-helixtrans-64-43178.6-175.271.1000112.4P418 L421 S474 C475 Y476 N480 A481 D483 W486 T489P418-L478 HydrophobicContact CG-CD1 4.19Å; L421-L478 HydrophobicContact CD1-CB 4.04Å; L421-L478 HydrophobicContact CD1-CD1 4.12Å; S474-L478 WeakPolarHBondContact O-CB 3.44Å; S474-L478 PolarHBondContact O-N 3.4Å; C475-L478 PolarHBondContact O-N 2.98Å; Y476-L478 VanDerWaalsContact C-N 3.33Å; Y476-L478 PolarHBondContact O-N 2.9Å; L478-N480 VanDerWaalsContact C-N 3.34Å; L478-A481 CarbonylContact O-C 3.47Å; L478-A481 WeakPolarHBondContact O-CA 3.32Å; L478-A481 WeakPolarHBondContact O-CB 3.46Å; L478-A481 PolarHBondContact O-N 3Å; L478-A481 VanDerWaalsContact O-N 3.1Å; L478-D483 HydrophobicContact CD1-CB 3.71Å; L478-D483 HydrophobicContact CG-CB 3.99Å; L478-D483 PolarHBondContact O-N 3.12Å; L478-W486 HydrophobicContact CD2-CB 3.89Å; L478-T489 HydrophobicContact CD2-CG2 3.98Å
479L91Very high92.3Very high0 Ų024.1 Ų24.10%012%0.115CC..Hα-helixtrans-67.3-35.7178.6-67.2171.3000111.8W246 I249 V253 C475 Y476 A481 E482 W486 V551 I554 Y555W246-L479 WeakPolarHBondContact CA-O 3.3Å; W246-L479 HydrophobicContact CB-CB 3.65Å; W246-L479 WeakPolarHBondContact CB-O 3.21Å; W246-L479 PolarHBondContact N-O 3.04Å; I249-L479 HydrophobicContact CD1-CB 4.32Å; I249-L479 HydrophobicContact CD1-CD2 3.49Å; I249-L479 VanDerWaalsContact CD1-CD2 3.49Å; V253-L479 HydrophobicContact CG2-CD2 4.11Å; C475-L479 VanDerWaalsContact O-CG 3.22Å; C475-L479 WeakPolarHBondContact O-CG 3.38Å; C475-L479 PolarHBondContact O-N 3.04Å; Y476-L479 PolarHBondContact O-N 3.01Å; L479-A481 PolarHBondContact O-N 2.89Å; L479-E482 WeakPolarHBondContact O-CA 3.44Å; L479-E482 PolarHBondContact O-N 3.11Å; L479-W486 HydrophobicContact CD2-CB 4.43Å; L479-W486 HydrophobicContact CD2-CG 4.41Å; L479-V551 HydrophobicContact CD1-CG2 3.93Å; L479-I554 HydrophobicContact CD1-CD1 3.94Å; L479-Y555 HydrophobicContact CD1-CE2 4.48Å
480N87.5Confident92.5Very high56 Ų5623.6 Ų23.630%0.29911%0.112SC..Hα-helixtrans-64.2-23.8172.2-77.2-52.4000113.2W246 Y476 V477 L478 E482W246-N480 VanDerWaalsContact CD1-OD1 3.25Å; Y476-N480 VanDerWaalsContact CD1-ND2 3.27Å; Y476-N480 WeakPolarHBondContact CD1-ND2 3.32Å; Y476-N480 WeakPolarHBondContact CE1-ND2 3.47Å; Y476-N480 PolarHBondContact O-N 3.27Å; Y476-N480 PolarHBondContact O-ND2 3.08Å; V477-N480 PolarHBondContact O-N 3.11Å; L478-N480 VanDerWaalsContact C-N 3.34Å; N480-E482 PolarHBondContact O-N 3.19Å
481A88Confident92.6Very high9 Ų923.5 Ų23.57%0.07411%0.111CC..THydrogen-bonded Turntrans-86.415.3171.600000112.8K412 M416 V477 L478 L479 D483K412-A481 HydrophobicContact CB-CB 4.36Å; K412-A481 HydrophobicContact CD-CB 4.02Å; M416-A481 HydrophobicContact CB-CB 4.13Å; M416-A481 HydrophobicContact SD-CB 3.94Å; V477-A481 PolarHBondContact O-N 2.96Å; L478-A481 CarbonylContact O-C 3.47Å; L478-A481 WeakPolarHBondContact O-CA 3.32Å; L478-A481 WeakPolarHBondContact O-CB 3.46Å; L478-A481 PolarHBondContact O-N 3Å; L478-A481 VanDerWaalsContact O-N 3.1Å; L479-A481 PolarHBondContact O-N 2.89Å; A481-D483 PolarHBondContact O-N 3.45Å
482E89Confident92.8Very high30 Ų3028.2 Ų28.214%0.1413%0.131CC..THydrogen-bonded Turntrans57.221.6178.6-61.3177.2-16400114.5Q248 I249 R407 P410 L479 N480Q248-E482 PolarHBondContact OE1-OE1 2.9Å; I249-E482 HydrophobicContact CG2-CB 4.17Å; R407-E482 IonicContact CZ-OE2 2.94Å; R407-E482 IonicContact NE-OE2 3.82Å; R407-E482 IonicContact NH2-OE2 3.67Å; R407-E482 PolarHBondContact NH2-OE2 2.92Å; P410-E482 HydrophobicContact CG-CB 3.8Å; P410-E482 HydrophobicContact CG-CG 4.48Å; L479-E482 WeakPolarHBondContact O-CA 3.44Å; L479-E482 PolarHBondContact O-N 3.11Å; N480-E482 PolarHBondContact O-N 3.19Å
483D91Very high92.9Very high0 Ų027.9 Ų27.90%013%0.128CC..  trans-94.9106175.4-167.1-17.3000110I409 K412 L478 A481 R485I409-D483 HydrophobicContact CG2-CB 4.08Å; K412-D483 IonicContact NZ-OD2 3.31Å; K412-D483 PolarHBondContact NZ-OD2 3.25Å; L478-D483 HydrophobicContact CD1-CB 3.71Å; L478-D483 HydrophobicContact CG-CB 3.99Å; L478-D483 PolarHBondContact O-N 3.12Å; A481-D483 PolarHBondContact O-N 3.45Å; D483-R485 PolarHBondContact O-N 3.36Å; D483-R485 VanDerWaalsContact OD1-CB 3.28Å; D483-R485 WeakPolarHBondContact OD1-CB 3.28Å; D483-R485 WeakPolarHBondContact OD1-CG 3.35Å; D483-R485 IonicContact OD1-CZ 2.72Å; D483-R485 PolarHBondContact OD1-N 3.05Å; D483-R485 IonicContact OD1-NE 3.57Å; D483-R485 PolarHBondContact OD1-NE 3.41Å; D483-R485 IonicContact OD1-NH2 2.87Å; D483-R485 IonicContact OD2-CZ 2.62Å; D483-R485 IonicContact OD2-NE 2.68Å; D483-R485 IonicContact OD2-NH2 2.72Å; D483-R485 PolarHBondContact OD2-NH2 3.24Å
484Y91.6Very high93.2Very high43 Ų4326.5 Ų26.517%0.16912%0.12CC..  trans-72.5-6.7179.561.9-95.2000113.7D252 I409 W486D252-Y484 HydrophobicContact CB-CD1 3.99Å; D252-Y484 HydrophobicContact CB-CD2 4.33Å; D252-Y484 HydrophobicContact CB-CG 3.84Å; I409-Y484 HydrophobicContact CD1-CE1 4.15Å; I409-Y484 HydrophobicContact CG1-CD1 4.4Å; I409-Y484 HydrophobicContact CG1-CE1 3.92Å; Y484-W486 PolarHBondContact O-N 2.93Å
485R92.5Very high93.4Very high130 Ų13026.7 Ų26.749%0.49112%0.123SC..  trans-82.247.5-177-57.4175.3-62.1174.52.1112.7D483 T489D483-R485 PolarHBondContact O-N 3.36Å; D483-R485 VanDerWaalsContact OD1-CB 3.28Å; D483-R485 WeakPolarHBondContact OD1-CB 3.28Å; D483-R485 WeakPolarHBondContact OD1-CG 3.35Å; D483-R485 IonicContact OD1-CZ 2.72Å; D483-R485 PolarHBondContact OD1-N 3.05Å; D483-R485 IonicContact OD1-NE 3.57Å; D483-R485 PolarHBondContact OD1-NE 3.41Å; D483-R485 IonicContact OD1-NH2 2.87Å; D483-R485 IonicContact OD2-CZ 2.62Å; D483-R485 IonicContact OD2-NE 2.68Å; D483-R485 IonicContact OD2-NH2 2.72Å; D483-R485 PolarHBondContact OD2-NH2 3.24Å; R485-T489 PolarHBondContact O-OG1 2.88Å
486W94.7Very high93.6Very high3 Ų326.9 Ų26.91%0.01112%0.124CC..Hα-helixtrans-74.6-25.5-175.265.5-92.2000114.2V253 L478 L479 Y484 T489 S490 F544 A547 V551V253-W486 PolarHBondContact O-NE1 3.05Å; L478-W486 HydrophobicContact CD2-CB 3.89Å; L479-W486 HydrophobicContact CD2-CB 4.43Å; L479-W486 HydrophobicContact CD2-CG 4.41Å; Y484-W486 PolarHBondContact O-N 2.93Å; W486-T489 PolarHBondContact O-N 3.44Å; W486-S490 WeakPolarHBondContact O-CB 3.22Å; W486-S490 PolarHBondContact O-N 2.93Å; W486-S490 PolarHBondContact O-OG 2.97Å; W486-S490 VanDerWaalsContact O-OG 3.11Å; W486-F544 HydrophobicContact CH2-CE2 4.04Å; W486-F544 HydrophobicContact CZ3-CD2 4.1Å; W486-F544 AromaticContact CZ3-CE2 3.94Å; W486-F544 HydrophobicContact CZ3-CE2 3.94Å; W486-A547 HydrophobicContact CE3-CB 4.11Å; W486-A547 HydrophobicContact CZ3-CB 4.01Å; W486-V551 HydrophobicContact CD2-CG2 4.08Å; W486-V551 HydrophobicContact CE3-CG2 4.25Å; W486-V551 HydrophobicContact CH2-CB 4.43Å; W486-V551 HydrophobicContact CH2-CG2 4.46Å; W486-V551 HydrophobicContact CZ2-CB 4.21Å; W486-V551 HydrophobicContact CZ2-CG1 3.96Å; W486-V551 HydrophobicContact CZ2-CG2 4.28Å; W486-V551 HydrophobicContact CZ3-CG2 4.44Å
487R95.6Very high93.9Very high11 Ų1124.8 Ų24.84%0.04212%0.116CC..Hα-helixtrans-62.5-48.9-172-63.3-175.8179.2179.66.1113.9F254 R255 P257 F263 S490 F491 F544F254-R487 PolarHBondContact O-NH2 3.45Å; R255-R487 PolarHBondContact O-NE 2.9Å; R255-R487 PolarHBondContact O-NH1 3.23Å; R255-R487 PolarHBondContact O-NH2 3Å; P257-R487 HydrophobicContact CB-CB 4.2Å; F263-R487 HydrophobicContact CE1-CB 4.5Å; F263-R487 HydrophobicContact CE2-CB 4.41Å; F263-R487 WeakPolarHBondContact CE2-O 2.97Å; F263-R487 HydrophobicContact CZ-CB 4Å; F263-R487 WeakPolarHBondContact CZ-O 3.17Å; R487-S490 PolarHBondContact O-OG 3.46Å; R487-S490 VanDerWaalsContact O-OG 3.06Å; R487-F491 PolarHBondContact O-N 3.31Å; R487-F544 HydrophobicContact CB-CE2 4.26Å; R487-F544 HydrophobicContact CG-CE2 4.16Å
488W96.7Very high94.2Very high50 Ų5023.2 Ų23.219%0.18911%0.107CC..Hα-helixtrans-70.5-40.1175.2-83.7112.1000111.3A258 L262 F263 L266 S490 F491 F492A258-W488 PolarHBondContact O-NE1 3.32Å; L262-W488 HydrophobicContact CD2-CH2 4.26Å; L262-W488 HydrophobicContact CG-CH2 4.33Å; F263-W488 HydrophobicContact CB-CH2 4.08Å; F263-W488 HydrophobicContact CB-CZ2 3.68Å; F263-W488 AromaticContact CD2-CD2 3.57Å; F263-W488 HydrophobicContact CD2-CD2 3.57Å; F263-W488 AromaticContact CD2-CE2 3.56Å; F263-W488 AromaticContact CD2-CE3 3.68Å; F263-W488 HydrophobicContact CD2-CE3 3.68Å; F263-W488 HydrophobicContact CD2-CG 4.23Å; F263-W488 AromaticContact CD2-CH2 3.84Å; F263-W488 HydrophobicContact CD2-CH2 3.84Å; F263-W488 AromaticContact CD2-CZ2 3.72Å; F263-W488 HydrophobicContact CD2-CZ2 3.72Å; F263-W488 AromaticContact CD2-CZ3 3.81Å; F263-W488 HydrophobicContact CD2-CZ3 3.81Å; F263-W488 HydrophobicContact CE2-CD2 4.03Å; F263-W488 HydrophobicContact CE2-CE3 4.05Å; F263-W488 HydrophobicContact CE2-CG 4.39Å; F263-W488 HydrophobicContact CE2-CZ3 4.49Å; F263-W488 HydrophobicContact CG-CH2 4.48Å; F263-W488 HydrophobicContact CG-CZ2 4.19Å; L266-W488 HydrophobicContact CD1-CH2 3.95Å; L266-W488 HydrophobicContact CD1-CZ3 4.01Å; W488-S490 PolarHBondContact O-N 3.48Å; W488-F491 PolarHBondContact O-N 3.18Å; W488-F492 HydrophobicContact CB-CD2 4.33Å; W488-F492 HydrophobicContact CB-CE2 4.32Å; W488-F492 HydrophobicContact CD2-CE2 4.17Å; W488-F492 HydrophobicContact CE3-CD2 4.14Å; W488-F492 AromaticContact CE3-CE2 3.4Å; W488-F492 HydrophobicContact CE3-CE2 3.4Å; W488-F492 VanDerWaalsContact CE3-CE2 3.4Å; W488-F492 AromaticContact CE3-CZ 3.79Å; W488-F492 HydrophobicContact CE3-CZ 3.79Å; W488-F492 HydrophobicContact CZ3-CE2 4.05Å; W488-F492 AromaticContact CZ3-CZ 3.95Å; W488-F492 HydrophobicContact CZ3-CZ 3.95Å; W488-F492 WeakPolarHBondContact O-CD2 3.37Å; W488-F492 PolarHBondContact O-N 3.37Å
489T96Very high94.4Very high11 Ų1128 Ų287%0.06713%0.128CC..Hα-helixtrans-61-45.1179.3-49.30000111.4P418 V422 L478 R485 W486 F491 F492 V493P418-T489 HydrophobicContact CB-CG2 3.99Å; V422-T489 HydrophobicContact CG2-CG2 4.28Å; L478-T489 HydrophobicContact CD2-CG2 3.98Å; R485-T489 PolarHBondContact O-OG1 2.88Å; W486-T489 PolarHBondContact O-N 3.44Å; T489-F491 VanDerWaalsContact C-N 3.34Å; T489-F491 PolarHBondContact O-N 3.1Å; T489-F492 PolarHBondContact O-N 2.81Å; T489-V493 HydrophobicContact CG2-CG2 4.24Å; T489-V493 WeakPolarHBondContact O-CB 3.35Å; T489-V493 WeakPolarHBondContact O-CG2 3.16Å; T489-V493 PolarHBondContact O-N 3.36Å
490S96.5Very high94.7Very high3 Ų330.2 Ų30.22%0.02114%0.137CC..Hα-helixtrans-65.4-36.6177.762.50000112.6W486 R487 W488 G494 A547W486-S490 WeakPolarHBondContact O-CB 3.22Å; W486-S490 PolarHBondContact O-N 2.93Å; W486-S490 PolarHBondContact O-OG 2.97Å; W486-S490 VanDerWaalsContact O-OG 3.11Å; R487-S490 PolarHBondContact O-OG 3.46Å; R487-S490 VanDerWaalsContact O-OG 3.06Å; W488-S490 PolarHBondContact O-N 3.48Å; S490-G494 PolarHBondContact O-N 3.31Å; S490-A547 VanDerWaalsContact CB-CB 3.49Å
491F97.8Very high95.2Very high8 Ų827.6 Ų27.64%0.03512%0.122CC..Hα-helixtrans-63.6-48.6172.5-175.5-88.5000111.6F263 L266 V267 R487 W488 T489 G494 A495 G540F263-F491 HydrophobicContact CE2-CB 3.92Å; F263-F491 HydrophobicContact CE2-CG 4.36Å; F263-F491 HydrophobicContact CZ-CB 4.46Å; L266-F491 HydrophobicContact CB-CE2 4.25Å; L266-F491 HydrophobicContact CB-CZ 4.01Å; L266-F491 HydrophobicContact CD1-CE1 4.38Å; L266-F491 HydrophobicContact CD1-CZ 4.38Å; V267-F491 HydrophobicContact CG2-CD2 4.27Å; V267-F491 HydrophobicContact CG2-CE2 4.44Å; R487-F491 PolarHBondContact O-N 3.31Å; W488-F491 PolarHBondContact O-N 3.18Å; T489-F491 VanDerWaalsContact C-N 3.34Å; T489-F491 PolarHBondContact O-N 3.1Å; F491-G494 PolarHBondContact O-N 3.35Å; F491-A495 HydrophobicContact CE1-CB 4.43Å; F491-A495 WeakPolarHBondContact O-CB 3.43Å; F491-A495 PolarHBondContact O-N 2.97Å; F491-G540 WeakPolarHBondContact CD2-O 3.37Å; F491-G540 WeakPolarHBondContact O-CA 3.14Å
492F97.5Very high95.6Very high99 Ų9930.9 Ų30.943%0.43413%0.134SC..Hα-helixtrans-70.5-32-179.1-74.3-59000113.5V422 W488 T489 G494 A495 S496V422-F492 HydrophobicContact CB-CB 4.42Å; V422-F492 HydrophobicContact CG1-CB 3.91Å; V422-F492 HydrophobicContact CG2-CB 3.54Å; W488-F492 HydrophobicContact CB-CD2 4.33Å; W488-F492 HydrophobicContact CB-CE2 4.32Å; W488-F492 HydrophobicContact CD2-CE2 4.17Å; W488-F492 HydrophobicContact CE3-CD2 4.14Å; W488-F492 AromaticContact CE3-CE2 3.4Å; W488-F492 HydrophobicContact CE3-CE2 3.4Å; W488-F492 VanDerWaalsContact CE3-CE2 3.4Å; W488-F492 AromaticContact CE3-CZ 3.79Å; W488-F492 HydrophobicContact CE3-CZ 3.79Å; W488-F492 HydrophobicContact CZ3-CE2 4.05Å; W488-F492 AromaticContact CZ3-CZ 3.95Å; W488-F492 HydrophobicContact CZ3-CZ 3.95Å; W488-F492 WeakPolarHBondContact O-CD2 3.37Å; W488-F492 PolarHBondContact O-N 3.37Å; T489-F492 PolarHBondContact O-N 2.81Å; F492-G494 VanDerWaalsContact C-N 3.29Å; F492-G494 PolarHBondContact O-N 2.88Å; F492-A495 PolarHBondContact O-N 3.36Å; F492-S496 WeakPolarHBondContact O-CB 3.33Å; F492-S496 PolarHBondContact O-N 2.98Å; F492-S496 PolarHBondContact O-OG 3.41Å
493V96.9Very high96Very high2 Ų233.5 Ų33.51%0.01215%0.148CC..Hα-helixtrans-61.6-39172.2169.50000110.9V422 V470 T471 T489 S496V422-V493 HydrophobicContact CB-CG2 4.47Å; V422-V493 HydrophobicContact CG2-CG2 3.92Å; V470-V493 HydrophobicContact CG1-CG1 4.24Å; T471-V493 HydrophobicContact CG2-CB 4.06Å; T471-V493 HydrophobicContact CG2-CG1 3.63Å; T489-V493 HydrophobicContact CG2-CG2 4.24Å; T489-V493 WeakPolarHBondContact O-CB 3.35Å; T489-V493 WeakPolarHBondContact O-CG2 3.16Å; T489-V493 PolarHBondContact O-N 3.36Å; V493-S496 PolarHBondContact O-OG 3.19Å
494G96.3Very high96.2Very high1 Ų134.4 Ų34.41%0.0115%0.152CC..Hα-helixtrans-71-42.9172.400000112.1S490 F491 F492 S496 T497 C539S490-G494 PolarHBondContact O-N 3.31Å; F491-G494 PolarHBondContact O-N 3.35Å; F492-G494 VanDerWaalsContact C-N 3.29Å; F492-G494 PolarHBondContact O-N 2.88Å; G494-S496 VanDerWaalsContact C-N 3.29Å; G494-S496 PolarHBondContact O-N 3.09Å; G494-T497 PolarHBondContact O-OG1 3.2Å; G494-C539 WeakPolarHBondContact O-CB 3.48Å
495A97.3Very high96.4Very high16 Ų1632.4 Ų32.413%0.13214%0.144CC..Hα-helixtrans-69.2-24.2-177.700000113.7F491 F492 T497 A498 G536F491-A495 HydrophobicContact CE1-CB 4.43Å; F491-A495 WeakPolarHBondContact O-CB 3.43Å; F491-A495 PolarHBondContact O-N 2.97Å; F492-A495 PolarHBondContact O-N 3.36Å; A495-T497 PolarHBondContact O-N 2.85Å; A495-T497 VanDerWaalsContact O-N 3.16Å; A495-A498 WeakPolarHBondContact O-CB 3.49Å; A495-A498 PolarHBondContact O-N 3.35Å; A495-G536 WeakPolarHBondContact CA-O 3.45Å; A495-G536 VanDerWaalsContact CB-O 3.31Å; A495-G536 WeakPolarHBondContact CB-O 3.36Å
496S97.1Very high96.5Very high7 Ų728.6 Ų28.65%0.04914%0.135CC..Hα-helixtrans-64.9-18.4-178.661.50000113.5V422 G426 F492 V493 G494 A498 F499 Y500V422-S496 WeakPolarHBondContact O-CB 3.2Å; V422-S496 PolarHBondContact O-OG 2.94Å; G426-S496 WeakPolarHBondContact CA-OG 3.4Å; G426-S496 PolarHBondContact N-OG 2.93Å; G426-S496 VanDerWaalsContact N-OG 3.15Å; F492-S496 WeakPolarHBondContact O-CB 3.33Å; F492-S496 PolarHBondContact O-N 2.98Å; F492-S496 PolarHBondContact O-OG 3.41Å; V493-S496 PolarHBondContact O-OG 3.19Å; G494-S496 VanDerWaalsContact C-N 3.29Å; G494-S496 PolarHBondContact O-N 3.09Å; S496-A498 PolarHBondContact O-N 3.04Å; S496-F499 WeakPolarHBondContact O-CB 3.39Å; S496-F499 PolarHBondContact O-N 3.07Å; S496-F499 VanDerWaalsContact O-N 3.09Å; S496-Y500 VanDerWaalsContact O-CD2 3.24Å; S496-Y500 WeakPolarHBondContact O-CD2 3.38Å; S496-Y500 PolarHBondContact O-N 3.38Å
497T96Very high96.6Very high0 Ų033.5 Ų33.50%015%0.154CC..Hα-helixtrans-54.8-41.3167.8-54.70000111.9P429 F430 I433 L463 G494 A495 F499 Y500 V501P429-T497 HydrophobicContact CB-CG2 4.02Å; P429-T497 WeakPolarHBondContact CB-OG1 3.41Å; F430-T497 HydrophobicContact CB-CG2 4.39Å; I433-T497 HydrophobicContact CD1-CG2 4.08Å; L463-T497 HydrophobicContact CD1-CG2 4.24Å; G494-T497 PolarHBondContact O-OG1 3.2Å; A495-T497 PolarHBondContact O-N 2.85Å; A495-T497 VanDerWaalsContact O-N 3.16Å; T497-F499 VanDerWaalsContact C-N 3.31Å; T497-F499 PolarHBondContact O-N 3.1Å; T497-Y500 PolarHBondContact O-N 2.96Å; T497-V501 WeakPolarHBondContact O-CG2 3.48Å; T497-V501 PolarHBondContact O-N 3.46Å; T497-V501 VanDerWaalsContact O-N 3.09Å
498A97.2Very high96.5Very high8 Ų833.4 Ų33.47%0.06615%0.154CC..Hα-helixtrans-69.1-29.4178.200000113.2A495 S496 V501 Y502 C532 L535A495-A498 WeakPolarHBondContact O-CB 3.49Å; A495-A498 PolarHBondContact O-N 3.35Å; S496-A498 PolarHBondContact O-N 3.04Å; A498-V501 PolarHBondContact O-N 2.92Å; A498-Y502 WeakPolarHBondContact O-CB 3.22Å; A498-Y502 PolarHBondContact O-N 3.33Å; A498-C532 HydrophobicContact CB-CB 4.36Å; A498-C532 WeakPolarHBondContact CB-O 3.32Å; A498-L535 HydrophobicContact CB-CB 4.3Å; A498-L535 HydrophobicContact CB-CD2 4.37Å; A498-L535 HydrophobicContact CB-CG 4.29Å
499F96.9Very high96.3Very high102 Ų10231.9 Ų31.945%0.44715%0.149SC..Hα-helixtrans-62.4-45173.5172-102.6000111.1L423 S496 T497 Y502 L503L423-F499 HydrophobicContact CD2-CE1 4.37Å; S496-F499 WeakPolarHBondContact O-CB 3.39Å; S496-F499 PolarHBondContact O-N 3.07Å; S496-F499 VanDerWaalsContact O-N 3.09Å; T497-F499 VanDerWaalsContact C-N 3.31Å; T497-F499 PolarHBondContact O-N 3.1Å; F499-Y502 PolarHBondContact O-N 3.33Å; F499-L503 HydrophobicContact CD1-CD1 4.15Å; F499-L503 HydrophobicContact CE1-CD1 3.53Å; F499-L503 HydrophobicContact CE1-CG 4.26Å; F499-L503 HydrophobicContact CE2-CD1 4.48Å; F499-L503 HydrophobicContact CE2-CG 4.45Å; F499-L503 HydrophobicContact CZ-CD1 3.73Å; F499-L503 HydrophobicContact CZ-CD2 4.39Å; F499-L503 HydrophobicContact CZ-CG 4.16Å; F499-L503 WeakPolarHBondContact O-CG 3.49Å; F499-L503 PolarHBondContact O-N 2.92Å
500Y97Very high96.2Very high46 Ų4638 Ų3818%0.1817%0.174CC..Hα-helixtrans-65.7-38.3175.2-71.6-71.1000113L423 L427 F430 S496 T497 Y502 L503 Y504L423-Y500 VanDerWaalsContact O-CE2 3.32Å; L423-Y500 WeakPolarHBondContact O-CE2 3.44Å; L423-Y500 PolarHBondContact O-OH 2.98Å; L427-Y500 HydrophobicContact CB-CE2 4.36Å; L427-Y500 HydrophobicContact CD1-CE1 4.21Å; F430-Y500 HydrophobicContact CB-CD2 4.44Å; F430-Y500 HydrophobicContact CB-CG 4.29Å; F430-Y500 HydrophobicContact CD1-CG 4.34Å; F430-Y500 VanDerWaalsContact CG-CB 3.45Å; F430-Y500 HydrophobicContact CG-CG 4.25Å; S496-Y500 VanDerWaalsContact O-CD2 3.24Å; S496-Y500 WeakPolarHBondContact O-CD2 3.38Å; S496-Y500 PolarHBondContact O-N 3.38Å; T497-Y500 PolarHBondContact O-N 2.96Å; Y500-Y502 VanDerWaalsContact C-N 3.31Å; Y500-Y502 PolarHBondContact O-N 3.45Å; Y500-L503 PolarHBondContact O-N 2.87Å; Y500-Y504 WeakPolarHBondContact O-CB 3.35Å; Y500-Y504 PolarHBondContact O-N 2.87Å
501V97Very high96Very high0 Ų046.1 Ų46.10%021%0.206CC..Hα-helixtrans-61.9-39.7173.5173.50000111.3F430 I433 V437 F441 T497 A498 Y504 A505 F531 L535F430-V501 HydrophobicContact CD2-CG2 3.84Å; F430-V501 HydrophobicContact CE2-CG2 4.2Å; I433-V501 HydrophobicContact CD1-CG2 4.18Å; V437-V501 HydrophobicContact CG1-CG1 4.22Å; V437-V501 HydrophobicContact CG2-CG2 4.31Å; F441-V501 HydrophobicContact CE2-CG1 4.28Å; F441-V501 HydrophobicContact CZ-CG1 4.24Å; T497-V501 WeakPolarHBondContact O-CG2 3.48Å; T497-V501 PolarHBondContact O-N 3.46Å; T497-V501 VanDerWaalsContact O-N 3.09Å; A498-V501 PolarHBondContact O-N 2.92Å; V501-Y504 WeakPolarHBondContact O-CB 2.98Å; V501-Y504 PolarHBondContact O-N 3.04Å; V501-A505 PolarHBondContact O-N 2.93Å; V501-F531 HydrophobicContact CG1-CD1 4.44Å; V501-F531 HydrophobicContact CG1-CE1 3.93Å; V501-L535 HydrophobicContact CB-CD2 4.3Å; V501-L535 HydrophobicContact CG1-CD2 4.37Å; V501-L535 HydrophobicContact CG2-CD2 3.9Å
502Y97.1Very high95.6Very high79 Ų7951 Ų5131%0.3123%0.227SC..Hα-helixtrans-67.8-40.9176.4-167.9-96000112.4A498 F499 Y500 Y504 A505 V506 T528 C532A498-Y502 WeakPolarHBondContact O-CB 3.22Å; A498-Y502 PolarHBondContact O-N 3.33Å; F499-Y502 PolarHBondContact O-N 3.33Å; Y500-Y502 VanDerWaalsContact C-N 3.31Å; Y500-Y502 PolarHBondContact O-N 3.45Å; Y502-Y504 VanDerWaalsContact C-N 3.3Å; Y502-Y504 PolarHBondContact O-N 3.12Å; Y502-A505 VanDerWaalsContact O-CB 3.28Å; Y502-A505 WeakPolarHBondContact O-CB 3.49Å; Y502-A505 PolarHBondContact O-N 3.37Å; Y502-A505 VanDerWaalsContact O-N 3.13Å; Y502-V506 HydrophobicContact CE1-CG2 4.33Å; Y502-V506 PolarHBondContact O-N 3.48Å; Y502-V506 VanDerWaalsContact O-N 3.11Å; Y502-T528 HydrophobicContact CD2-CG2 4.03Å; Y502-T528 HydrophobicContact CE2-CG2 4.24Å; Y502-C532 HydrophobicContact CD2-CB 4.26Å
503L96.4Very high95.2Very high85 Ų8547.4 Ų47.445%0.44521%0.213SC..Hα-helixtrans-61-41172.5-70.7-179.7000111.8F499 Y500 A505 V506 Y507F499-L503 HydrophobicContact CD1-CD1 4.15Å; F499-L503 HydrophobicContact CE1-CD1 3.53Å; F499-L503 HydrophobicContact CE1-CG 4.26Å; F499-L503 HydrophobicContact CE2-CD1 4.48Å; F499-L503 HydrophobicContact CE2-CG 4.45Å; F499-L503 HydrophobicContact CZ-CD1 3.73Å; F499-L503 HydrophobicContact CZ-CD2 4.39Å; F499-L503 HydrophobicContact CZ-CG 4.16Å; F499-L503 WeakPolarHBondContact O-CG 3.49Å; F499-L503 PolarHBondContact O-N 2.92Å; Y500-L503 PolarHBondContact O-N 2.87Å; L503-A505 VanDerWaalsContact C-N 3.29Å; L503-A505 PolarHBondContact O-N 3.43Å; L503-V506 PolarHBondContact O-N 3.21Å; L503-Y507 PolarHBondContact O-N 3.02Å; L503-Y507 VanDerWaalsContact O-N 3.16Å
504Y95.9Very high94.7Very high19 Ų1954.9 Ų54.98%0.07525%0.246CC..Hα-helixtrans-62.9-36.6173.9-179.4-105.3000112.1F430 F434 V437 Y438 Y500 V501 Y502 V506 Y507 Y508F430-Y504 HydrophobicContact CZ-CG 4.35Å; F434-Y504 HydrophobicContact CD2-CD2 4.37Å; F434-Y504 HydrophobicContact CD2-CE2 4.34Å; F434-Y504 AromaticContact CE2-CD2 3.55Å; F434-Y504 HydrophobicContact CE2-CD2 3.55Å; F434-Y504 AromaticContact CE2-CE2 3.35Å; F434-Y504 HydrophobicContact CE2-CE2 3.35Å; F434-Y504 HydrophobicContact CE2-CG 4.37Å; F434-Y504 HydrophobicContact CZ-CD2 4.33Å; F434-Y504 AromaticContact CZ-CE2 3.72Å; F434-Y504 HydrophobicContact CZ-CE2 3.72Å; V437-Y504 HydrophobicContact CG1-CD1 3.78Å; V437-Y504 HydrophobicContact CG1-CE1 4.01Å; Y438-Y504 VanDerWaalsContact CD2-OH 3.29Å; Y438-Y504 WeakPolarHBondContact CD2-OH 3.37Å; Y500-Y504 WeakPolarHBondContact O-CB 3.35Å; Y500-Y504 PolarHBondContact O-N 2.87Å; V501-Y504 WeakPolarHBondContact O-CB 2.98Å; V501-Y504 PolarHBondContact O-N 3.04Å; Y502-Y504 VanDerWaalsContact C-N 3.3Å; Y502-Y504 PolarHBondContact O-N 3.12Å; Y504-V506 PolarHBondContact O-N 3.01Å; Y504-Y507 HydrophobicContact CD2-CD1 4.03Å; Y504-Y507 AromaticContact CE2-CD1 3.85Å; Y504-Y507 HydrophobicContact CE2-CD1 3.85Å; Y504-Y507 HydrophobicContact CE2-CE1 4.18Å; Y504-Y507 WeakPolarHBondContact O-CB 3.47Å; Y504-Y507 PolarHBondContact O-N 3.45Å; Y504-Y508 HydrophobicContact CE1-CD2 4.18Å; Y504-Y508 WeakPolarHBondContact O-CB 3.47Å; Y504-Y508 PolarHBondContact O-N 3.36Å
505A95.8Very high94.4Very high0 Ų056 Ų560%025%0.251CS..Hα-helixtrans-61.7-42.1174.900000112.6F441 V501 Y502 L503 Y507 Y508 F509 Y524 T528F441-A505 HydrophobicContact CE1-CB 3.45Å; F441-A505 VanDerWaalsContact CE1-CB 3.45Å; F441-A505 HydrophobicContact CZ-CB 3.87Å; V501-A505 PolarHBondContact O-N 2.93Å; Y502-A505 VanDerWaalsContact O-CB 3.28Å; Y502-A505 WeakPolarHBondContact O-CB 3.49Å; Y502-A505 PolarHBondContact O-N 3.37Å; Y502-A505 VanDerWaalsContact O-N 3.13Å; L503-A505 VanDerWaalsContact C-N 3.29Å; L503-A505 PolarHBondContact O-N 3.43Å; A505-Y507 VanDerWaalsContact C-N 3.34Å; A505-Y507 PolarHBondContact O-N 3.26Å; A505-Y508 PolarHBondContact O-N 2.86Å; A505-F509 WeakPolarHBondContact O-CB 3.1Å; A505-F509 PolarHBondContact O-N 2.78Å; A505-Y524 HydrophobicContact CB-CE1 4.39Å; A505-Y524 PolarHBondContact O-OH 3.44Å; A505-T528 HydrophobicContact CB-CG2 3.44Å; A505-T528 VanDerWaalsContact CB-CG2 3.44Å
506V95.9Very high94Very high50 Ų5059.4 Ų59.430%0.30326%0.261SS..Hα-helixtrans-59.1-47.3174.1177.90000110.4Y502 L503 Y504 Y508 F509 F510 F525Y502-V506 HydrophobicContact CE1-CG2 4.33Å; Y502-V506 PolarHBondContact O-N 3.48Å; Y502-V506 VanDerWaalsContact O-N 3.11Å; L503-V506 PolarHBondContact O-N 3.21Å; Y504-V506 PolarHBondContact O-N 3.01Å; V506-Y508 PolarHBondContact O-N 2.86Å; V506-F509 PolarHBondContact O-N 3.32Å; V506-F510 HydrophobicContact CG1-CD2 4.05Å; V506-F510 HydrophobicContact CG1-CE2 3.84Å; V506-F510 VanDerWaalsContact O-CD2 3.23Å; V506-F510 WeakPolarHBondContact O-CD2 3.29Å; V506-F510 PolarHBondContact O-N 2.86Å; V506-F525 HydrophobicContact CG2-CE1 3.86Å
507Y95Very high93.6Very high107 Ų10760.9 Ų60.942%0.4228%0.278SS..Hα-helixtrans-59.7-45174.9167-95.9000112.1L503 Y504 A505 F509 F510 Y511L503-Y507 PolarHBondContact O-N 3.02Å; L503-Y507 VanDerWaalsContact O-N 3.16Å; Y504-Y507 HydrophobicContact CD2-CD1 4.03Å; Y504-Y507 AromaticContact CE2-CD1 3.85Å; Y504-Y507 HydrophobicContact CE2-CD1 3.85Å; Y504-Y507 HydrophobicContact CE2-CE1 4.18Å; Y504-Y507 WeakPolarHBondContact O-CB 3.47Å; Y504-Y507 PolarHBondContact O-N 3.45Å; A505-Y507 VanDerWaalsContact C-N 3.34Å; A505-Y507 PolarHBondContact O-N 3.26Å; Y507-F509 VanDerWaalsContact C-N 3.33Å; Y507-F509 PolarHBondContact O-N 3.06Å; Y507-F510 PolarHBondContact O-N 3.46Å; Y507-Y511 AromaticContact CD2-CD2 3.25Å; Y507-Y511 HydrophobicContact CD2-CD2 3.25Å; Y507-Y511 AromaticContact CD2-CE2 3.73Å; Y507-Y511 HydrophobicContact CD2-CE2 3.73Å; Y507-Y511 HydrophobicContact CD2-CG 4.1Å; Y507-Y511 AromaticContact CE2-CD2 3.36Å; Y507-Y511 HydrophobicContact CE2-CD2 3.36Å; Y507-Y511 AromaticContact CE2-CE2 3.95Å; Y507-Y511 HydrophobicContact CE2-CE2 3.95Å; Y507-Y511 AromaticContact CE2-CG 3.76Å; Y507-Y511 HydrophobicContact CE2-CG 3.76Å; Y507-Y511 HydrophobicContact CG-CD2 4.12Å; Y507-Y511 WeakPolarHBondContact O-CD2 3.31Å; Y507-Y511 PolarHBondContact O-N 3.37Å
508Y94Very high93.4Very high9 Ų966.7 Ų66.74%0.03530%0.303CS..Hα-helixtrans-61.8-41.9-179.1-172.3-85.6000111.6Y438 F441 T442 Y504 A505 V506 K512 T513Y438-Y508 HydrophobicContact CD2-CD2 4.31Å; Y438-Y508 AromaticContact CD2-CE2 3.83Å; Y438-Y508 HydrophobicContact CD2-CE2 3.83Å; Y438-Y508 AromaticContact CE2-CE2 3.92Å; Y438-Y508 HydrophobicContact CE2-CE2 3.92Å; F441-Y508 HydrophobicContact CB-CD1 4.45Å; F441-Y508 HydrophobicContact CB-CD2 4.29Å; F441-Y508 HydrophobicContact CB-CE1 4.2Å; F441-Y508 HydrophobicContact CB-CE2 4.04Å; F441-Y508 HydrophobicContact CB-CG 4.5Å; F441-Y508 HydrophobicContact CD1-CD1 4.03Å; F441-Y508 HydrophobicContact CD1-CG 4.03Å; T442-Y508 VanDerWaalsContact CA-OH 3.31Å; T442-Y508 WeakPolarHBondContact CA-OH 3.21Å; T442-Y508 HydrophobicContact CG2-CE2 4.1Å; T442-Y508 WeakPolarHBondContact CG2-OH 3.29Å; T442-Y508 PolarHBondContact N-OH 3.36Å; Y504-Y508 HydrophobicContact CE1-CD2 4.18Å; Y504-Y508 WeakPolarHBondContact O-CB 3.47Å; Y504-Y508 PolarHBondContact O-N 3.36Å; A505-Y508 PolarHBondContact O-N 2.86Å; V506-Y508 PolarHBondContact O-N 2.86Å; Y508-K512 HydrophobicContact CD1-CB 4.29Å; Y508-K512 HydrophobicContact CD2-CB 3.74Å; Y508-K512 HydrophobicContact CD2-CG 3.91Å; Y508-K512 HydrophobicContact CE1-CB 4.28Å; Y508-K512 HydrophobicContact CE2-CB 3.71Å; Y508-K512 HydrophobicContact CE2-CG 4.08Å; Y508-K512 HydrophobicContact CG-CB 4.02Å; Y508-K512 HydrophobicContact CG-CG 4.49Å; Y508-K512 WeakPolarHBondContact O-CA 3.44Å; Y508-K512 WeakPolarHBondContact O-CB 3.39Å; Y508-K512 PolarHBondContact O-N 2.95Å; Y508-T513 HydrophobicContact CD1-CG2 3.63Å; Y508-T513 HydrophobicContact CE1-CG2 3.42Å; Y508-T513 VanDerWaalsContact CE1-CG2 3.42Å; Y508-T513 PolarHBondContact O-N 3.24Å; Y508-T513 VanDerWaalsContact O-N 3.11Å
509F93.3Very high93.1Very high18 Ų1866.4 Ų66.48%0.07930%0.3CS..Hα-helixtrans-55.7-53.9175.7-177.4-100.5000111.6A505 V506 Y507 T513 M515 T521 Y524 F525A505-F509 WeakPolarHBondContact O-CB 3.1Å; A505-F509 PolarHBondContact O-N 2.78Å; V506-F509 PolarHBondContact O-N 3.32Å; Y507-F509 VanDerWaalsContact C-N 3.33Å; Y507-F509 PolarHBondContact O-N 3.06Å; F509-T513 PolarHBondContact O-OG1 2.86Å; F509-M515 HydrophobicContact CE2-CB 3.94Å; F509-M515 HydrophobicContact CE2-SD 4.5Å; F509-T521 HydrophobicContact CZ-CG2 4.03Å; F509-Y524 HydrophobicContact CB-CD1 4.21Å; F509-Y524 HydrophobicContact CB-CE1 3.71Å; F509-Y524 AromaticContact CD2-CD1 3.62Å; F509-Y524 HydrophobicContact CD2-CD1 3.62Å; F509-Y524 HydrophobicContact CD2-CD2 4.17Å; F509-Y524 AromaticContact CD2-CE1 3.98Å; F509-Y524 HydrophobicContact CD2-CE1 3.98Å; F509-Y524 HydrophobicContact CD2-CE2 4.46Å; F509-Y524 AromaticContact CD2-CG 3.76Å; F509-Y524 HydrophobicContact CD2-CG 3.76Å; F509-Y524 HydrophobicContact CE2-CD1 4.37Å; F509-Y524 HydrophobicContact CE2-CG 4.28Å; F509-Y524 HydrophobicContact CG-CD1 4.19Å; F509-Y524 HydrophobicContact CG-CE1 4.2Å; F509-F525 HydrophobicContact CB-CZ 4.16Å; F509-F525 HydrophobicContact CD1-CE2 4.09Å; F509-F525 HydrophobicContact CD1-CZ 4.05Å; F509-F525 HydrophobicContact CD2-CE2 4.4Å; F509-F525 HydrophobicContact CE1-CE2 4.25Å; F509-F525 HydrophobicContact CG-CE2 4.17Å; F509-F525 HydrophobicContact CG-CZ 4.01Å; F509-F525 HydrophobicContact CZ-CE2 4.47Å
510F93.3Very high92.8Very high139 Ų13961.6 Ų61.661%0.6128%0.279SS*.Hα-helixtrans-73.8-35.7-175.1-70.8-65.8000114.7V506 Y507V506-F510 HydrophobicContact CG1-CD2 4.05Å; V506-F510 HydrophobicContact CG1-CE2 3.84Å; V506-F510 VanDerWaalsContact O-CD2 3.23Å; V506-F510 WeakPolarHBondContact O-CD2 3.29Å; V506-F510 PolarHBondContact O-N 2.86Å; Y507-F510 PolarHBondContact O-N 3.46Å
511Y92.5Very high92.7Very high174 Ų17461.3 Ų61.368%0.68228%0.282SS*.Hα-helixtrans-107.3-19.2-170-67.2-78.4000114.8Y507Y507-Y511 AromaticContact CD2-CD2 3.25Å; Y507-Y511 HydrophobicContact CD2-CD2 3.25Å; Y507-Y511 AromaticContact CD2-CE2 3.73Å; Y507-Y511 HydrophobicContact CD2-CE2 3.73Å; Y507-Y511 HydrophobicContact CD2-CG 4.1Å; Y507-Y511 AromaticContact CE2-CD2 3.36Å; Y507-Y511 HydrophobicContact CE2-CD2 3.36Å; Y507-Y511 AromaticContact CE2-CE2 3.95Å; Y507-Y511 HydrophobicContact CE2-CE2 3.95Å; Y507-Y511 AromaticContact CE2-CG 3.76Å; Y507-Y511 HydrophobicContact CE2-CG 3.76Å; Y507-Y511 HydrophobicContact CG-CD2 4.12Å; Y507-Y511 WeakPolarHBondContact O-CD2 3.31Å; Y507-Y511 PolarHBondContact O-N 3.37Å
512K89.6Confident92.5Very high111 Ų11163.1 Ų63.148%0.48329%0.291SS..Hα-helixtrans-115.6-23.4-177.2-64.6-64-176.2-179.90113.4Y508Y508-K512 HydrophobicContact CD1-CB 4.29Å; Y508-K512 HydrophobicContact CD2-CB 3.74Å; Y508-K512 HydrophobicContact CD2-CG 3.91Å; Y508-K512 HydrophobicContact CE1-CB 4.28Å; Y508-K512 HydrophobicContact CE2-CB 3.71Å; Y508-K512 HydrophobicContact CE2-CG 4.08Å; Y508-K512 HydrophobicContact CG-CB 4.02Å; Y508-K512 HydrophobicContact CG-CG 4.49Å; Y508-K512 WeakPolarHBondContact O-CA 3.44Å; Y508-K512 WeakPolarHBondContact O-CB 3.39Å; Y508-K512 PolarHBondContact O-N 2.95Å
513T88.2Confident92.3Very high23 Ų2359.7 Ų59.714%0.14128%0.278CS..  trans-101.3148.5174.180.80000111.2Y508 F509 M515Y508-T513 HydrophobicContact CD1-CG2 3.63Å; Y508-T513 HydrophobicContact CE1-CG2 3.42Å; Y508-T513 VanDerWaalsContact CE1-CG2 3.42Å; Y508-T513 PolarHBondContact O-N 3.24Å; Y508-T513 VanDerWaalsContact O-N 3.11Å; F509-T513 PolarHBondContact O-OG1 2.86Å; T513-M515 VanDerWaalsContact C-N 3.31Å; T513-M515 HydrophobicContact CG2-CE 4.23Å; T513-M515 HydrophobicContact CG2-SD 4.15Å
514K87.2Confident92.2Very high159 Ų15955.6 Ų55.669%0.69126%0.257SS*.  trans-100.225167.9-65.5-177.2177-1770111Y516K514-Y516 WeakPolarHBondContact O-CD1 3.44Å
515M89.2Confident92.2Very high24 Ų2456.8 Ų56.812%0.11826%0.262CS..  trans-69.1139.3-177.2-71.2174.1-176.700109.9W445 F509 T513 Q520 Y524W445-M515 HydrophobicContact CB-CE 3.84Å; W445-M515 HydrophobicContact CE3-CE 4.3Å; W445-M515 WeakPolarHBondContact O-CE 3.27Å; F509-M515 HydrophobicContact CE2-CB 3.94Å; F509-M515 HydrophobicContact CE2-SD 4.5Å; T513-M515 VanDerWaalsContact C-N 3.31Å; T513-M515 HydrophobicContact CG2-CE 4.23Å; T513-M515 HydrophobicContact CG2-SD 4.15Å; M515-Q520 HydrophobicContact CB-CG 3.8Å; M515-Q520 HydrophobicContact CG-CG 3.84Å; M515-Q520 HydrophobicContact SD-CG 3.99Å; M515-Q520 PolarHBondContact SD-NE2 3.47Å; M515-Y524 HydrophobicContact SD-CD2 4.08Å
516Y88.7Confident92.2Very high87 Ų8757.2 Ų57.234%0.34127%0.267SS..  trans-138.9171.317658.4-92.7000110.3H21 N22 H95 K514 Q520H21-Y516 HydrophobicContact CB-CD1 4.36Å; H21-Y516 HydrophobicContact CB-CE1 3.79Å; N22-Y516 VanDerWaalsContact CG-O 3.23Å; N22-Y516 WeakPolarHBondContact ND2-CD2 3.42Å; N22-Y516 WeakPolarHBondContact ND2-CE2 3.06Å; N22-Y516 PolarHBondContact ND2-O 3.06Å; N22-Y516 PolarHBondContact OD1-N 3.11Å; N22-Y516 PolarHBondContact OD1-O 2.96Å; N22-Y516 VanDerWaalsContact OD1-O 3.12Å; H95-Y516 PolarHBondContact CD2-OH 2.97Å; H95-Y516 VanDerWaalsContact CD2-OH 3.31Å; K514-Y516 WeakPolarHBondContact O-CD1 3.44Å; Y516-Q520 WeakPolarHBondContact O-CB 3.39Å
517G88.9Confident92.1Very high39 Ų3957.8 Ų57.840%0.40226%0.264SS..SBendtrans86.4152.3178.100000113.9T521G517-T521 WeakPolarHBondContact O-CB 3.04Å; G517-T521 PolarHBondContact O-N 3.36Å; G517-T521 PolarHBondContact O-OG1 2.78Å
518F91.6Very high92.1Very high122 Ų12252.9 Ų52.954%0.53525%0.245SC..Hα-helixtrans-67.6-45.1-173.1-179.8-110.6000112.3V352 Y356 T521 I522V352-F518 HydrophobicContact CG1-CD1 3.84Å; V352-F518 HydrophobicContact CG1-CE1 3.89Å; V352-F518 HydrophobicContact CG2-CE1 4.22Å; Y356-F518 HydrophobicContact CE2-CD1 4.42Å; F518-T521 PolarHBondContact O-N 3.03Å; F518-I522 HydrophobicContact CD1-CD1 4.07Å; F518-I522 HydrophobicContact CD2-CD1 4.11Å; F518-I522 HydrophobicContact CE1-CD1 3.45Å; F518-I522 VanDerWaalsContact CE1-CD1 3.45Å; F518-I522 HydrophobicContact CE2-CD1 3.49Å; F518-I522 VanDerWaalsContact CE2-CD1 3.49Å; F518-I522 HydrophobicContact CE2-CG1 4.25Å; F518-I522 HydrophobicContact CG-CD1 4.38Å; F518-I522 HydrophobicContact CZ-CD1 3.14Å; F518-I522 HydrophobicContact CZ-CG1 4.31Å; F518-I522 PolarHBondContact O-N 3.47Å
519F91.5Very high92.2Very high2 Ų253.5 Ų53.51%0.00925%0.251CS..Hα-helixtrans-59.3-53.9179.7175.6-108.5000112.2Q24 E25 V352 A353 Y356 A358 R360 T521 I522 F523Q24-F519 WeakPolarHBondContact O-CE1 3.46Å; E25-F519 HydrophobicContact CB-CD1 3.91Å; E25-F519 HydrophobicContact CB-CE1 4.23Å; E25-F519 HydrophobicContact CG-CD1 3.95Å; E25-F519 HydrophobicContact CG-CE1 4.49Å; V352-F519 HydrophobicContact CB-CD2 4.2Å; V352-F519 HydrophobicContact CG1-CB 4.24Å; V352-F519 HydrophobicContact CG1-CD2 3.84Å; A353-F519 VanDerWaalsContact CA-CE2 3.49Å; A353-F519 HydrophobicContact CB-CE2 3.62Å; A353-F519 HydrophobicContact CB-CZ 4.14Å; Y356-F519 HydrophobicContact CD2-CB 4.02Å; Y356-F519 HydrophobicContact CE2-CB 4.1Å; Y356-F519 HydrophobicContact CG-CB 4.37Å; A358-F519 HydrophobicContact CB-CE1 4.33Å; A358-F519 HydrophobicContact CB-CZ 4.2Å; R360-F519 HydrophobicContact CB-CZ 4.15Å; F519-T521 VanDerWaalsContact C-N 3.26Å; F519-T521 PolarHBondContact O-N 3.14Å; F519-I522 PolarHBondContact O-N 3.48Å; F519-F523 HydrophobicContact CZ-CD2 4.25Å; F519-F523 WeakPolarHBondContact O-CB 3.48Å; F519-F523 PolarHBondContact O-N 3.23Å
520Q91.5Very high92.4Very high0 Ų053.9 Ų53.90%025%0.253CS..Hα-helixtrans-59.5-37.4179-17664.944.200112.2N22 Q24 M515 Y516 Y524N22-Q520 HydrophobicContact CB-CB 4.32Å; N22-Q520 HydrophobicContact CB-CG 4.2Å; Q24-Q520 VanDerWaalsContact CB-OE1 3.24Å; Q24-Q520 VanDerWaalsContact N-OE1 3.13Å; M515-Q520 HydrophobicContact CB-CG 3.8Å; M515-Q520 HydrophobicContact CG-CG 3.84Å; M515-Q520 HydrophobicContact SD-CG 3.99Å; M515-Q520 PolarHBondContact SD-NE2 3.47Å; Y516-Q520 WeakPolarHBondContact O-CB 3.39Å; Q520-Y524 VanDerWaalsContact O-CB 3.27Å; Q520-Y524 WeakPolarHBondContact O-CB 3.17Å; Q520-Y524 PolarHBondContact O-N 3Å
521T93.3Very high92.5Very high41 Ų4151.1 Ų51.125%0.25224%0.241SC..Hα-helixtrans-66-48.9178.4-58.30000111.7F509 G517 F518 F519 F523 Y524 F525F509-T521 HydrophobicContact CZ-CG2 4.03Å; G517-T521 WeakPolarHBondContact O-CB 3.04Å; G517-T521 PolarHBondContact O-N 3.36Å; G517-T521 PolarHBondContact O-OG1 2.78Å; F518-T521 PolarHBondContact O-N 3.03Å; F519-T521 VanDerWaalsContact C-N 3.26Å; F519-T521 PolarHBondContact O-N 3.14Å; T521-F523 VanDerWaalsContact C-N 3.34Å; T521-F523 PolarHBondContact O-N 3.43Å; T521-Y524 PolarHBondContact O-N 3.07Å; T521-F525 HydrophobicContact CG2-CD2 3.74Å; T521-F525 HydrophobicContact CG2-CE2 3.82Å; T521-F525 VanDerWaalsContact O-CD2 3.29Å; T521-F525 WeakPolarHBondContact O-CD2 3.37Å; T521-F525 PolarHBondContact O-N 3.23Å
522I94Very high92.7Very high37 Ų3743.2 Ų43.219%0.1921%0.211CC..Hα-helixtrans-64-42.3177.8-76.1-179.4000111L348 V349 V352 F518 F519 Y524 G526L348-I522 HydrophobicContact CD2-CG2 3.83Å; V349-I522 HydrophobicContact CG2-CG2 4.01Å; V352-I522 HydrophobicContact CG2-CD1 4Å; V352-I522 HydrophobicContact CG2-CG2 4.43Å; F518-I522 HydrophobicContact CD1-CD1 4.07Å; F518-I522 HydrophobicContact CD2-CD1 4.11Å; F518-I522 HydrophobicContact CE1-CD1 3.45Å; F518-I522 VanDerWaalsContact CE1-CD1 3.45Å; F518-I522 HydrophobicContact CE2-CD1 3.49Å; F518-I522 VanDerWaalsContact CE2-CD1 3.49Å; F518-I522 HydrophobicContact CE2-CG1 4.25Å; F518-I522 HydrophobicContact CG-CD1 4.38Å; F518-I522 HydrophobicContact CZ-CD1 3.14Å; F518-I522 HydrophobicContact CZ-CG1 4.31Å; F518-I522 PolarHBondContact O-N 3.47Å; F519-I522 PolarHBondContact O-N 3.48Å; I522-Y524 VanDerWaalsContact C-N 3.35Å; I522-Y524 PolarHBondContact O-N 2.96Å; I522-G526 WeakPolarHBondContact O-CA 2.99Å; I522-G526 PolarHBondContact O-N 3.31Å
523F92.8Very high93.1Very high7 Ų740.1 Ų40.13%0.03120%0.202CC..Hα-helixtrans-59.4-48.2175.7-170.2-76.5000110.6Q24 V349 W445 F519 T521 Y527Q24-F523 HydrophobicContact CB-CD1 3.9Å; Q24-F523 HydrophobicContact CB-CD2 4.48Å; Q24-F523 HydrophobicContact CB-CE1 3.99Å; Q24-F523 HydrophobicContact CB-CG 4.17Å; Q24-F523 HydrophobicContact CB-CZ 4.31Å; Q24-F523 HydrophobicContact CG-CD1 3.7Å; Q24-F523 HydrophobicContact CG-CE1 3.57Å; Q24-F523 HydrophobicContact CG-CG 4.46Å; Q24-F523 HydrophobicContact CG-CZ 4.23Å; V349-F523 HydrophobicContact CG1-CB 4.3Å; V349-F523 HydrophobicContact CG1-CD2 3.64Å; V349-F523 HydrophobicContact CG1-CE2 4.42Å; V349-F523 HydrophobicContact CG1-CG 4.33Å; W445-F523 HydrophobicContact CH2-CD1 4.12Å; W445-F523 HydrophobicContact CH2-CE1 4.23Å; W445-F523 AromaticContact CZ3-CD1 3.76Å; W445-F523 HydrophobicContact CZ3-CD1 3.76Å; W445-F523 AromaticContact CZ3-CE1 3.86Å; W445-F523 HydrophobicContact CZ3-CE1 3.86Å; F519-F523 HydrophobicContact CZ-CD2 4.25Å; F519-F523 WeakPolarHBondContact O-CB 3.48Å; F519-F523 PolarHBondContact O-N 3.23Å; T521-F523 VanDerWaalsContact C-N 3.34Å; T521-F523 PolarHBondContact O-N 3.43Å; F523-Y527 AromaticContact CD1-CD2 3.78Å; F523-Y527 HydrophobicContact CD1-CD2 3.78Å; F523-Y527 HydrophobicContact CD1-CE2 4.24Å; F523-Y527 AromaticContact CD2-CD2 3.98Å; F523-Y527 HydrophobicContact CD2-CD2 3.98Å; F523-Y527 AromaticContact CD2-CE2 3.63Å; F523-Y527 HydrophobicContact CD2-CE2 3.63Å; F523-Y527 AromaticContact CE1-CD2 3.63Å; F523-Y527 HydrophobicContact CE1-CD2 3.63Å; F523-Y527 AromaticContact CE1-CE2 3.94Å; F523-Y527 HydrophobicContact CE1-CE2 3.94Å; F523-Y527 HydrophobicContact CE1-CG 4.36Å; F523-Y527 AromaticContact CE2-CD2 3.84Å; F523-Y527 HydrophobicContact CE2-CD2 3.84Å; F523-Y527 AromaticContact CE2-CE2 3.28Å; F523-Y527 HydrophobicContact CE2-CE2 3.28Å; F523-Y527 AromaticContact CG-CD2 3.95Å; F523-Y527 HydrophobicContact CG-CD2 3.95Å; F523-Y527 HydrophobicContact CG-CE2 4.1Å; F523-Y527 AromaticContact CZ-CD2 3.66Å; F523-Y527 HydrophobicContact CZ-CD2 3.66Å; F523-Y527 AromaticContact CZ-CE2 3.45Å; F523-Y527 HydrophobicContact CZ-CE2 3.45Å; F523-Y527 VanDerWaalsContact CZ-CE2 3.45Å; F523-Y527 WeakPolarHBondContact O-CD2 3.27Å; F523-Y527 PolarHBondContact O-N 3.37Å; F523-Y527 VanDerWaalsContact O-N 3.09Å
524Y94.4Very high93.5Very high0 Ų040 Ų400%020%0.204CC..Hα-helixtrans-56.7-55.4178.9179.5-89.8000112.3W445 A505 F509 M515 Q520 T521 I522 T528W445-Y524 AromaticContact CD1-CE2 3.54Å; W445-Y524 AromaticContact CD2-CD2 3.45Å; W445-Y524 HydrophobicContact CD2-CD2 3.45Å; W445-Y524 VanDerWaalsContact CD2-CD2 3.45Å; W445-Y524 AromaticContact CD2-CE2 3.58Å; W445-Y524 HydrophobicContact CD2-CE2 3.58Å; W445-Y524 AromaticContact CE2-CD2 3.43Å; W445-Y524 VanDerWaalsContact CE2-CD2 3.43Å; W445-Y524 AromaticContact CE2-CE2 3.41Å; W445-Y524 VanDerWaalsContact CE2-CE2 3.41Å; W445-Y524 AromaticContact CE3-CD2 3.73Å; W445-Y524 HydrophobicContact CE3-CD2 3.73Å; W445-Y524 HydrophobicContact CE3-CE2 4.33Å; W445-Y524 AromaticContact CG-CD2 4Å; W445-Y524 HydrophobicContact CG-CD2 4Å; W445-Y524 AromaticContact CG-CE2 3.68Å; W445-Y524 HydrophobicContact CG-CE2 3.68Å; W445-Y524 VanDerWaalsContact CH2-CA 3.49Å; W445-Y524 HydrophobicContact CH2-CD2 4.03Å; W445-Y524 HydrophobicContact CH2-CG 4.43Å; W445-Y524 AromaticContact CZ2-CD2 3.75Å; W445-Y524 HydrophobicContact CZ2-CD2 3.75Å; W445-Y524 HydrophobicContact CZ2-CE2 4.06Å; W445-Y524 HydrophobicContact CZ2-CG 4.32Å; W445-Y524 HydrophobicContact CZ3-CD2 4.01Å; W445-Y524 AromaticContact NE1-CD2 3.9Å; W445-Y524 AromaticContact NE1-CE2 3.34Å; W445-Y524 VanDerWaalsContact NE1-CE2 3.34Å; A505-Y524 HydrophobicContact CB-CE1 4.39Å; A505-Y524 PolarHBondContact O-OH 3.44Å; F509-Y524 HydrophobicContact CB-CD1 4.21Å; F509-Y524 HydrophobicContact CB-CE1 3.71Å; F509-Y524 AromaticContact CD2-CD1 3.62Å; F509-Y524 HydrophobicContact CD2-CD1 3.62Å; F509-Y524 HydrophobicContact CD2-CD2 4.17Å; F509-Y524 AromaticContact CD2-CE1 3.98Å; F509-Y524 HydrophobicContact CD2-CE1 3.98Å; F509-Y524 HydrophobicContact CD2-CE2 4.46Å; F509-Y524 AromaticContact CD2-CG 3.76Å; F509-Y524 HydrophobicContact CD2-CG 3.76Å; F509-Y524 HydrophobicContact CE2-CD1 4.37Å; F509-Y524 HydrophobicContact CE2-CG 4.28Å; F509-Y524 HydrophobicContact CG-CD1 4.19Å; F509-Y524 HydrophobicContact CG-CE1 4.2Å; M515-Y524 HydrophobicContact SD-CD2 4.08Å; Q520-Y524 VanDerWaalsContact O-CB 3.27Å; Q520-Y524 WeakPolarHBondContact O-CB 3.17Å; Q520-Y524 PolarHBondContact O-N 3Å; T521-Y524 PolarHBondContact O-N 3.07Å; I522-Y524 VanDerWaalsContact C-N 3.35Å; I522-Y524 PolarHBondContact O-N 2.96Å; Y524-T528 WeakPolarHBondContact O-CB 3.27Å; Y524-T528 PolarHBondContact O-N 2.9Å; Y524-T528 PolarHBondContact O-OG1 3.46Å
525F95.7Very high93.9Very high43 Ų4333.2 Ų33.219%0.18917%0.174CC..Hα-helixtrans-72.2-35.3-176.4-75-66.7000112.5V506 F509 T521 S529V506-F525 HydrophobicContact CG2-CE1 3.86Å; F509-F525 HydrophobicContact CB-CZ 4.16Å; F509-F525 HydrophobicContact CD1-CE2 4.09Å; F509-F525 HydrophobicContact CD1-CZ 4.05Å; F509-F525 HydrophobicContact CD2-CE2 4.4Å; F509-F525 HydrophobicContact CE1-CE2 4.25Å; F509-F525 HydrophobicContact CG-CE2 4.17Å; F509-F525 HydrophobicContact CG-CZ 4.01Å; F509-F525 HydrophobicContact CZ-CE2 4.47Å; T521-F525 HydrophobicContact CG2-CD2 3.74Å; T521-F525 HydrophobicContact CG2-CE2 3.82Å; T521-F525 VanDerWaalsContact O-CD2 3.29Å; T521-F525 WeakPolarHBondContact O-CD2 3.37Å; T521-F525 PolarHBondContact O-N 3.23Å; F525-S529 WeakPolarHBondContact O-CB 3.32Å; F525-S529 PolarHBondContact O-N 3.1Å
526G95.1Very high94.3Very high9 Ų932.4 Ų32.49%0.09317%0.172CC..Hα-helixtrans-60.9-55.6177.200000112.2I522 S529 I530I522-G526 WeakPolarHBondContact O-CA 2.99Å; I522-G526 PolarHBondContact O-N 3.31Å; G526-S529 WeakPolarHBondContact O-CB 3.39Å; G526-S529 PolarHBondContact O-N 2.72Å; G526-I530 WeakPolarHBondContact O-CG1 3.42Å; G526-I530 PolarHBondContact O-N 2.9Å
527Y94.1Very high94.8Very high62 Ų6229 Ų2924%0.24316%0.16CC..Hα-helixtrans-71.8-35.6-179.4-77.4-83.6000112.9V349 F523 S529 I530 F531V349-Y527 HydrophobicContact CG1-CE2 4.14Å; V349-Y527 HydrophobicContact CG2-CE2 4.45Å; F523-Y527 AromaticContact CD1-CD2 3.78Å; F523-Y527 HydrophobicContact CD1-CD2 3.78Å; F523-Y527 HydrophobicContact CD1-CE2 4.24Å; F523-Y527 AromaticContact CD2-CD2 3.98Å; F523-Y527 HydrophobicContact CD2-CD2 3.98Å; F523-Y527 AromaticContact CD2-CE2 3.63Å; F523-Y527 HydrophobicContact CD2-CE2 3.63Å; F523-Y527 AromaticContact CE1-CD2 3.63Å; F523-Y527 HydrophobicContact CE1-CD2 3.63Å; F523-Y527 AromaticContact CE1-CE2 3.94Å; F523-Y527 HydrophobicContact CE1-CE2 3.94Å; F523-Y527 HydrophobicContact CE1-CG 4.36Å; F523-Y527 AromaticContact CE2-CD2 3.84Å; F523-Y527 HydrophobicContact CE2-CD2 3.84Å; F523-Y527 AromaticContact CE2-CE2 3.28Å; F523-Y527 HydrophobicContact CE2-CE2 3.28Å; F523-Y527 AromaticContact CG-CD2 3.95Å; F523-Y527 HydrophobicContact CG-CD2 3.95Å; F523-Y527 HydrophobicContact CG-CE2 4.1Å; F523-Y527 AromaticContact CZ-CD2 3.66Å; F523-Y527 HydrophobicContact CZ-CD2 3.66Å; F523-Y527 AromaticContact CZ-CE2 3.45Å; F523-Y527 HydrophobicContact CZ-CE2 3.45Å; F523-Y527 VanDerWaalsContact CZ-CE2 3.45Å; F523-Y527 WeakPolarHBondContact O-CD2 3.27Å; F523-Y527 PolarHBondContact O-N 3.37Å; F523-Y527 VanDerWaalsContact O-N 3.09Å; Y527-S529 VanDerWaalsContact C-N 3.25Å; Y527-S529 PolarHBondContact O-N 3.05Å; Y527-I530 HydrophobicContact CD1-CD1 4.11Å; Y527-I530 HydrophobicContact CE1-CD1 4.46Å; Y527-I530 WeakPolarHBondContact O-CB 3.29Å; Y527-I530 PolarHBondContact O-N 3.39Å; Y527-F531 PolarHBondContact O-N 3.39Å
528T95.4Very high95.2Very high4 Ų427.9 Ų27.93%0.02514%0.144CC..Hα-helixtrans-58.9-39.8170.2-64.80000111.2F441 W445 Y502 A505 Y524 F531 C532F441-T528 HydrophobicContact CZ-CG2 4.38Å; W445-T528 VanDerWaalsContact CZ2-OG1 3.28Å; W445-T528 WeakPolarHBondContact CZ2-OG1 3.25Å; Y502-T528 HydrophobicContact CD2-CG2 4.03Å; Y502-T528 HydrophobicContact CE2-CG2 4.24Å; A505-T528 HydrophobicContact CB-CG2 3.44Å; A505-T528 VanDerWaalsContact CB-CG2 3.44Å; Y524-T528 WeakPolarHBondContact O-CB 3.27Å; Y524-T528 PolarHBondContact O-N 2.9Å; Y524-T528 PolarHBondContact O-OG1 3.46Å; T528-F531 WeakPolarHBondContact O-CB 3.27Å; T528-F531 PolarHBondContact O-N 3.36Å; T528-C532 WeakPolarHBondContact O-CB 3.42Å; T528-C532 PolarHBondContact O-N 3.45Å; T528-C532 PolarHBondContact O-SG 3.4Å
529S96.3Very high95.5Very high22 Ų2222 Ų2215%0.15412%0.119CC..Hα-helixtrans-65.6-41.5177-175.30000111.9Y341 F525 G526 Y527 F531 C532 V533Y341-S529 PolarHBondContact OH-OG 3.08Å; F525-S529 WeakPolarHBondContact O-CB 3.32Å; F525-S529 PolarHBondContact O-N 3.1Å; G526-S529 WeakPolarHBondContact O-CB 3.39Å; G526-S529 PolarHBondContact O-N 2.72Å; Y527-S529 VanDerWaalsContact C-N 3.25Å; Y527-S529 PolarHBondContact O-N 3.05Å; S529-F531 VanDerWaalsContact C-N 3.33Å; S529-F531 PolarHBondContact O-N 2.88Å; S529-C532 PolarHBondContact O-N 2.9Å; S529-V533 WeakPolarHBondContact O-CB 3.45Å; S529-V533 WeakPolarHBondContact O-CG2 3.42Å; S529-V533 PolarHBondContact O-N 2.84Å
530I96.5Very high95.8Very high26 Ų2622 Ų2213%0.13312%0.118CC..Hα-helixtrans-56.1-49171.7-65170.2000110.9Y341 V342 M345 G526 Y527 C532 V533 A534Y341-I530 HydrophobicContact CE1-CG1 4.2Å; V342-I530 HydrophobicContact CG2-CG2 3.9Å; M345-I530 HydrophobicContact CB-CD1 3.78Å; M345-I530 HydrophobicContact CB-CG1 3.96Å; M345-I530 HydrophobicContact CG-CG1 4.22Å; G526-I530 WeakPolarHBondContact O-CG1 3.42Å; G526-I530 PolarHBondContact O-N 2.9Å; Y527-I530 HydrophobicContact CD1-CD1 4.11Å; Y527-I530 HydrophobicContact CE1-CD1 4.46Å; Y527-I530 WeakPolarHBondContact O-CB 3.29Å; Y527-I530 PolarHBondContact O-N 3.39Å; I530-C532 PolarHBondContact O-N 2.79Å; I530-V533 PolarHBondContact O-N 2.92Å; I530-A534 WeakPolarHBondContact O-CB 3.41Å; I530-A534 PolarHBondContact O-N 3.3Å
531F95.4Very high96.1Very high81 Ų8122 Ų2236%0.35512%0.119SC..Hα-helixtrans-58.7-47.6177.5173.3-106.9000112F441 V501 Y527 T528 S529 A534 L535F441-F531 HydrophobicContact CE2-CD1 4.48Å; F441-F531 HydrophobicContact CE2-CE1 4.12Å; V501-F531 HydrophobicContact CG1-CD1 4.44Å; V501-F531 HydrophobicContact CG1-CE1 3.93Å; Y527-F531 PolarHBondContact O-N 3.39Å; T528-F531 WeakPolarHBondContact O-CB 3.27Å; T528-F531 PolarHBondContact O-N 3.36Å; S529-F531 VanDerWaalsContact C-N 3.33Å; S529-F531 PolarHBondContact O-N 2.88Å; F531-A534 PolarHBondContact O-N 3.42Å; F531-L535 HydrophobicContact CE1-CD2 4.36Å; F531-L535 HydrophobicContact CZ-CD2 4.47Å; F531-L535 WeakPolarHBondContact O-CB 2.69Å; F531-L535 PolarHBondContact O-N 3.29Å
532C97.2Very high96.3Very high8 Ų820.9 Ų20.95%0.05411%0.111CC..Hα-helixtrans-66.9-40.3-179.2-65.90000112.3A498 Y502 T528 S529 I530 L535 G536A498-C532 HydrophobicContact CB-CB 4.36Å; A498-C532 WeakPolarHBondContact CB-O 3.32Å; Y502-C532 HydrophobicContact CD2-CB 4.26Å; T528-C532 WeakPolarHBondContact O-CB 3.42Å; T528-C532 PolarHBondContact O-N 3.45Å; T528-C532 PolarHBondContact O-SG 3.4Å; S529-C532 PolarHBondContact O-N 2.9Å; I530-C532 PolarHBondContact O-N 2.79Å; C532-L535 PolarHBondContact O-N 2.85Å; C532-G536 PolarHBondContact O-N 2.72Å
533V97.6Very high96.4Very high46 Ų4619.1 Ų19.128%0.27910%0.102SC..Hα-helixtrans-63.9-44.2176.4169.30000110.9Y341 S529 I530 G536 I537Y341-V533 HydrophobicContact CD1-CB 4.32Å; Y341-V533 HydrophobicContact CD1-CG1 4.11Å; Y341-V533 HydrophobicContact CE1-CB 3.81Å; Y341-V533 HydrophobicContact CE1-CG1 4.05Å; Y341-V533 HydrophobicContact CE1-CG2 3.7Å; S529-V533 WeakPolarHBondContact O-CB 3.45Å; S529-V533 WeakPolarHBondContact O-CG2 3.42Å; S529-V533 PolarHBondContact O-N 2.84Å; I530-V533 PolarHBondContact O-N 2.92Å; V533-G536 PolarHBondContact O-N 3.29Å; V533-I537 HydrophobicContact CG1-CD1 3.77Å; V533-I537 HydrophobicContact CG1-CG1 4.42Å; V533-I537 VanDerWaalsContact O-CG1 3.26Å; V533-I537 WeakPolarHBondContact O-CG1 3.26Å; V533-I537 PolarHBondContact O-N 3.17Å
534A97.1Very high96.7Very high22 Ų2219.2 Ų19.218%0.18210%0.102CC..Hα-helixtrans-61.4-45.8175.900000111.8V273 I530 F531 G536 I537 M538V273-A534 HydrophobicContact CG1-CB 4.5Å; I530-A534 WeakPolarHBondContact O-CB 3.41Å; I530-A534 PolarHBondContact O-N 3.3Å; F531-A534 PolarHBondContact O-N 3.42Å; A534-G536 PolarHBondContact O-N 3.44Å; A534-I537 PolarHBondContact O-N 2.72Å; A534-M538 WeakPolarHBondContact O-CB 3.37Å; A534-M538 PolarHBondContact O-N 3.22Å
535L96.7Very high96.8Very high15 Ų1522.2 Ų22.28%0.07912%0.118CC..Hα-helixtrans-60.4-43.8175.5-179.662.8000111.8L463 A498 V501 F531 C532 M538 C539L463-L535 HydrophobicContact CD2-CD1 4.02Å; A498-L535 HydrophobicContact CB-CB 4.3Å; A498-L535 HydrophobicContact CB-CD2 4.37Å; A498-L535 HydrophobicContact CB-CG 4.29Å; V501-L535 HydrophobicContact CB-CD2 4.3Å; V501-L535 HydrophobicContact CG1-CD2 4.37Å; V501-L535 HydrophobicContact CG2-CD2 3.9Å; F531-L535 HydrophobicContact CE1-CD2 4.36Å; F531-L535 HydrophobicContact CZ-CD2 4.47Å; F531-L535 WeakPolarHBondContact O-CB 2.69Å; F531-L535 PolarHBondContact O-N 3.29Å; C532-L535 PolarHBondContact O-N 2.85Å; L535-M538 HydrophobicContact CD1-CE 3.59Å; L535-M538 PolarHBondContact O-N 3.31Å; L535-C539 WeakPolarHBondContact O-CB 3.36Å; L535-C539 PolarHBondContact O-N 3.31Å; L535-C539 PolarHBondContact O-SG 3.43Å
536G97.6Very high96.8Very high7 Ų721 Ų217%0.07212%0.115CC..Hα-helixtrans-65.9-43.5-17900000112.5A495 C532 V533 A534 M538 G540A495-G536 WeakPolarHBondContact CA-O 3.45Å; A495-G536 VanDerWaalsContact CB-O 3.31Å; A495-G536 WeakPolarHBondContact CB-O 3.36Å; C532-G536 PolarHBondContact O-N 2.72Å; V533-G536 PolarHBondContact O-N 3.29Å; A534-G536 PolarHBondContact O-N 3.44Å; G536-M538 VanDerWaalsContact C-N 3.34Å; G536-G540 PolarHBondContact O-N 3.46Å
537I97.9Very high96.8Very high17 Ų1720.5 Ų20.59%0.08711%0.111CC..Hα-helixtrans-64.7-41175.5-64.3169.7000110.3L266 T269 V533 A534 T541L266-I537 HydrophobicContact CD2-CD1 4.25Å; L266-I537 HydrophobicContact CD2-CG1 4.26Å; L266-I537 WeakPolarHBondContact O-CG2 3.24Å; T269-I537 HydrophobicContact CG2-CG2 4.1Å; V533-I537 HydrophobicContact CG1-CD1 3.77Å; V533-I537 HydrophobicContact CG1-CG1 4.42Å; V533-I537 VanDerWaalsContact O-CG1 3.26Å; V533-I537 WeakPolarHBondContact O-CG1 3.26Å; V533-I537 PolarHBondContact O-N 3.17Å; A534-I537 PolarHBondContact O-N 2.72Å; I537-T541 WeakPolarHBondContact O-CB 3.16Å; I537-T541 PolarHBondContact O-N 3.35Å; I537-T541 PolarHBondContact O-OG1 2.79Å; I537-T541 VanDerWaalsContact O-OG1 3.07Å
538M97.3Very high96.8Very high14 Ų1419.8 Ų19.87%0.06912%0.115CC..Hα-helixtrans-62.1-56.3176.8-176.2-178.867.400111.9V273 F274 V277 A534 L535 G536 G540 T541 I542V273-M538 HydrophobicContact CG1-CB 4.06Å; V273-M538 HydrophobicContact CG1-CG 4.47Å; V273-M538 HydrophobicContact CG1-SD 4.4Å; F274-M538 HydrophobicContact CB-CG 3.91Å; F274-M538 HydrophobicContact CB-SD 4.37Å; F274-M538 HydrophobicContact CD2-CG 3.93Å; F274-M538 HydrophobicContact CD2-SD 3.85Å; F274-M538 HydrophobicContact CG-CG 4.4Å; V277-M538 HydrophobicContact CB-SD 4.41Å; V277-M538 HydrophobicContact CG2-SD 4.22Å; A534-M538 WeakPolarHBondContact O-CB 3.37Å; A534-M538 PolarHBondContact O-N 3.22Å; L535-M538 HydrophobicContact CD1-CE 3.59Å; L535-M538 PolarHBondContact O-N 3.31Å; G536-M538 VanDerWaalsContact C-N 3.34Å; M538-G540 VanDerWaalsContact C-N 3.34Å; M538-G540 PolarHBondContact O-N 3.49Å; M538-T541 PolarHBondContact O-N 3.34Å; M538-I542 HydrophobicContact CG-CD1 4.15Å; M538-I542 WeakPolarHBondContact O-CG1 3.21Å; M538-I542 PolarHBondContact O-N 2.81Å
539C97.7Very high96.7Very high0 Ų028.5 Ų28.50%015%0.147CC..Hα-helixtrans-64.9-37.6-179.2-67.80000112.2T467 G494 L535 T541 I542 G543T467-C539 HydrophobicContact CG2-CB 4.18Å; G494-C539 WeakPolarHBondContact O-CB 3.48Å; L535-C539 WeakPolarHBondContact O-CB 3.36Å; L535-C539 PolarHBondContact O-N 3.31Å; L535-C539 PolarHBondContact O-SG 3.43Å; C539-T541 VanDerWaalsContact C-N 3.33Å; C539-T541 PolarHBondContact O-N 2.88Å; C539-I542 PolarHBondContact O-N 2.68Å; C539-G543 PolarHBondContact O-N 3.04Å
540G97.8Very high96.4Very high0 Ų028.6 Ų28.60%015%0.145CC..Hα-helixtrans-62.4-39.7175.200000112.7F491 G536 M538 G543 F544F491-G540 WeakPolarHBondContact CD2-O 3.37Å; F491-G540 WeakPolarHBondContact O-CA 3.14Å; G536-G540 PolarHBondContact O-N 3.46Å; M538-G540 VanDerWaalsContact C-N 3.34Å; M538-G540 PolarHBondContact O-N 3.49Å; G540-G543 PolarHBondContact O-N 2.89Å; G540-F544 WeakPolarHBondContact O-CB 3.14Å; G540-F544 PolarHBondContact O-N 2.67Å
541T98Very high96.2Very high2 Ų227.4 Ų27.41%0.01214%0.139CC..Hα-helixtrans-66.7-45.6174.8-70.30000112.8V267 G270 C271 I537 M538 C539 G543 F544 I545V267-T541 WeakPolarHBondContact CA-OG1 3.42Å; V267-T541 HydrophobicContact CG1-CG2 4Å; V267-T541 WeakPolarHBondContact O-CG2 3.41Å; V267-T541 PolarHBondContact O-OG1 2.71Å; G270-T541 WeakPolarHBondContact CA-OG1 3.5Å; C271-T541 HydrophobicContact CB-CG2 4.47Å; C271-T541 WeakPolarHBondContact SG-CG2 3.38Å; I537-T541 WeakPolarHBondContact O-CB 3.16Å; I537-T541 PolarHBondContact O-N 3.35Å; I537-T541 PolarHBondContact O-OG1 2.79Å; I537-T541 VanDerWaalsContact O-OG1 3.07Å; M538-T541 PolarHBondContact O-N 3.34Å; C539-T541 VanDerWaalsContact C-N 3.33Å; C539-T541 PolarHBondContact O-N 2.88Å; T541-G543 VanDerWaalsContact C-N 3.25Å; T541-G543 PolarHBondContact O-N 2.82Å; T541-F544 PolarHBondContact O-N 3.47Å; T541-I545 HydrophobicContact CG2-CD1 3.74Å; T541-I545 HydrophobicContact CG2-CG1 4.38Å; T541-I545 WeakPolarHBondContact O-CG1 3.12Å; T541-I545 PolarHBondContact O-N 3.36Å
542I97.8Very high96Very high17 Ų1724.7 Ų24.79%0.08713%0.134CC..Hα-helixtrans-56.9-45.7175.6-66.1165.7000109.8F274 A464 T467 M468 M538 C539 I545 A546F274-I542 HydrophobicContact CD2-CD1 3.69Å; F274-I542 HydrophobicContact CD2-CG1 4.35Å; F274-I542 HydrophobicContact CE2-CD1 3.72Å; F274-I542 HydrophobicContact CE2-CG1 4.5Å; F274-I542 HydrophobicContact CG-CD1 4.4Å; F274-I542 HydrophobicContact CZ-CD1 4.45Å; A464-I542 HydrophobicContact CB-CD1 4.05Å; A464-I542 HydrophobicContact CB-CG2 4.33Å; T467-I542 WeakPolarHBondContact OG1-CG2 3.24Å; M468-I542 HydrophobicContact CG-CG2 3.44Å; M468-I542 VanDerWaalsContact CG-CG2 3.44Å; M468-I542 HydrophobicContact SD-CG2 4.39Å; M538-I542 HydrophobicContact CG-CD1 4.15Å; M538-I542 WeakPolarHBondContact O-CG1 3.21Å; M538-I542 PolarHBondContact O-N 2.81Å; C539-I542 PolarHBondContact O-N 2.68Å; I542-I545 PolarHBondContact O-N 2.95Å; I542-A546 PolarHBondContact O-N 2.85Å
543G97Very high95.6Very high0 Ų031.1 Ų31.10%016%0.161CC..Hα-helixtrans-59.9-47.1176.500000113.9T471 C539 G540 T541 A546 A547T471-G543 VanDerWaalsContact CG2-CA 3.5Å; T471-G543 WeakPolarHBondContact OG1-CA 3.02Å; T471-G543 PolarHBondContact OG1-O 2.94Å; C539-G543 PolarHBondContact O-N 3.04Å; G540-G543 PolarHBondContact O-N 2.89Å; T541-G543 VanDerWaalsContact C-N 3.25Å; T541-G543 PolarHBondContact O-N 2.82Å; G543-A546 PolarHBondContact O-N 2.76Å; G543-A547 VanDerWaalsContact O-CB 3.31Å; G543-A547 WeakPolarHBondContact O-CB 3.49Å; G543-A547 PolarHBondContact O-N 3.5Å
544F97.4Very high95Very high8 Ų829.2 Ų29.24%0.03515%0.149CC..Hα-helixtrans-62.2-44176.8167.9-106.4000112.4F263 V267 L318 F322 W486 R487 G540 T541 A547 S548F263-F544 HydrophobicContact CE1-CD1 4.27Å; F263-F544 AromaticContact CE1-CD2 3.87Å; F263-F544 HydrophobicContact CE1-CD2 3.87Å; F263-F544 HydrophobicContact CE1-CE1 4.06Å; F263-F544 AromaticContact CE1-CE2 3.63Å; F263-F544 HydrophobicContact CE1-CE2 3.63Å; F263-F544 HydrophobicContact CE1-CG 4.17Å; F263-F544 AromaticContact CE1-CZ 3.74Å; F263-F544 HydrophobicContact CE1-CZ 3.74Å; F263-F544 HydrophobicContact CZ-CD1 4.35Å; F263-F544 AromaticContact CZ-CD2 3.45Å; F263-F544 HydrophobicContact CZ-CD2 3.45Å; F263-F544 VanDerWaalsContact CZ-CD2 3.45Å; F263-F544 AromaticContact CZ-CE2 3.65Å; F263-F544 HydrophobicContact CZ-CE2 3.65Å; F263-F544 AromaticContact CZ-CG 3.82Å; F263-F544 HydrophobicContact CZ-CG 3.82Å; F263-F544 HydrophobicContact CZ-CZ 4.2Å; V267-F544 HydrophobicContact CG1-CD1 3.93Å; V267-F544 HydrophobicContact CG1-CE1 4.2Å; V267-F544 HydrophobicContact CG2-CD1 3.74Å; V267-F544 HydrophobicContact CG2-CE1 4.23Å; V267-F544 HydrophobicContact CG2-CG 4.27Å; L318-F544 HydrophobicContact CD1-CE1 4.12Å; L318-F544 HydrophobicContact CD1-CZ 4.11Å; L318-F544 HydrophobicContact CD2-CE1 3.67Å; L318-F544 HydrophobicContact CD2-CZ 4.17Å; F322-F544 HydrophobicContact CZ-CZ 4.44Å; W486-F544 HydrophobicContact CH2-CE2 4.04Å; W486-F544 HydrophobicContact CZ3-CD2 4.1Å; W486-F544 AromaticContact CZ3-CE2 3.94Å; W486-F544 HydrophobicContact CZ3-CE2 3.94Å; R487-F544 HydrophobicContact CB-CE2 4.26Å; R487-F544 HydrophobicContact CG-CE2 4.16Å; G540-F544 WeakPolarHBondContact O-CB 3.14Å; G540-F544 PolarHBondContact O-N 2.67Å; T541-F544 PolarHBondContact O-N 3.47Å; F544-A547 PolarHBondContact O-N 3.42Å; F544-S548 VanDerWaalsContact O-CB 3.27Å; F544-S548 WeakPolarHBondContact O-CB 2.93Å; F544-S548 PolarHBondContact O-N 3.04Å
545I96.8Very high94.5Very high64 Ų6428.2 Ų28.233%0.32814%0.14SC..Hα-helixtrans-63.1-45.6-179.6-69.6168.8000110.3T541 I542 S548 R549T541-I545 HydrophobicContact CG2-CD1 3.74Å; T541-I545 HydrophobicContact CG2-CG1 4.38Å; T541-I545 WeakPolarHBondContact O-CG1 3.12Å; T541-I545 PolarHBondContact O-N 3.36Å; I542-I545 PolarHBondContact O-N 2.95Å; I545-S548 PolarHBondContact O-N 2.91Å; I545-R549 WeakPolarHBondContact O-CG 3.16Å; I545-R549 PolarHBondContact O-N 2.82Å
546A95.4Very high93.9Very high16 Ų1630.7 Ų30.713%0.13216%0.159CC..Hα-helixtrans-61.9-49.4176.700000112M468 I542 G543 S548 R549 F550M468-A546 HydrophobicContact CB-CB 3.62Å; M468-A546 HydrophobicContact CG-CB 3.61Å; M468-A546 HydrophobicContact SD-CB 4.33Å; I542-A546 PolarHBondContact O-N 2.85Å; G543-A546 PolarHBondContact O-N 2.76Å; A546-S548 VanDerWaalsContact C-N 3.31Å; A546-S548 PolarHBondContact O-N 2.98Å; A546-R549 PolarHBondContact O-N 3.4Å; A546-F550 WeakPolarHBondContact O-CB 3.24Å; A546-F550 PolarHBondContact O-N 3.3Å
547A95.2Very high92.9Very high0 Ų032.6 Ų32.60%017%0.171CC..Hα-helixtrans-58.9-42.2176.200000111.6C475 W486 S490 G543 F544 R549 F550 V551C475-A547 HydrophobicContact CB-CB 4.15Å; W486-A547 HydrophobicContact CE3-CB 4.11Å; W486-A547 HydrophobicContact CZ3-CB 4.01Å; S490-A547 VanDerWaalsContact CB-CB 3.49Å; G543-A547 VanDerWaalsContact O-CB 3.31Å; G543-A547 WeakPolarHBondContact O-CB 3.49Å; G543-A547 PolarHBondContact O-N 3.5Å; F544-A547 PolarHBondContact O-N 3.42Å; A547-R549 VanDerWaalsContact C-N 3.34Å; A547-R549 PolarHBondContact O-N 3.14Å; A547-F550 PolarHBondContact O-N 2.98Å; A547-V551 WeakPolarHBondContact O-CB 3.42Å; A547-V551 WeakPolarHBondContact O-CG2 3.46Å; A547-V551 PolarHBondContact O-N 3.37Å
548S94.4Very high91.7Very high47 Ų4732.4 Ų32.433%0.32917%0.171SC..Hα-helixtrans-64.4-37178.4-175.40000112.9F544 I545 A546 G552F544-S548 VanDerWaalsContact O-CB 3.27Å; F544-S548 WeakPolarHBondContact O-CB 2.93Å; F544-S548 PolarHBondContact O-N 3.04Å; I545-S548 PolarHBondContact O-N 2.91Å; A546-S548 VanDerWaalsContact C-N 3.31Å; A546-S548 PolarHBondContact O-N 2.98Å; S548-G552 PolarHBondContact O-N 3.44Å
549R92.7Very high90.1Very high186 Ų18639.9 Ų39.970%0.70220%0.203SC*.Hα-helixtrans-71.9-41.4175.8-68.9-71.6173.276.41111.3I545 A546 A547 G552 K553I545-R549 WeakPolarHBondContact O-CG 3.16Å; I545-R549 PolarHBondContact O-N 2.82Å; A546-R549 PolarHBondContact O-N 3.4Å; A547-R549 VanDerWaalsContact C-N 3.34Å; A547-R549 PolarHBondContact O-N 3.14Å; R549-G552 PolarHBondContact O-N 3.44Å; R549-K553 WeakPolarHBondContact O-CB 3.36Å; R549-K553 PolarHBondContact O-N 3.22Å
550F91.8Very high88.3Confident25 Ų2543.2 Ų43.211%0.1122%0.22CC..Hα-helixtrans-59-52.5174.2174.8-102.5000111.3L216 A472 Y476 A546 A547 G552 K553 I554L216-F550 HydrophobicContact CD1-CE2 4.42Å; A472-F550 HydrophobicContact CB-CB 4.5Å; A472-F550 HydrophobicContact CB-CG 4.35Å; Y476-F550 HydrophobicContact CD2-CE1 4.17Å; Y476-F550 AromaticContact CD2-CZ 3.87Å; Y476-F550 HydrophobicContact CD2-CZ 3.87Å; Y476-F550 HydrophobicContact CG-CE1 4.48Å; Y476-F550 HydrophobicContact CG-CZ 4.23Å; A546-F550 WeakPolarHBondContact O-CB 3.24Å; A546-F550 PolarHBondContact O-N 3.3Å; A547-F550 PolarHBondContact O-N 2.98Å; F550-G552 PolarHBondContact O-N 3.42Å; F550-K553 PolarHBondContact O-N 3.18Å; F550-K553 VanDerWaalsContact O-N 3.11Å; F550-I554 HydrophobicContact CD1-CD1 4.37Å; F550-I554 HydrophobicContact CD2-CG2 4.3Å; F550-I554 HydrophobicContact CE1-CD1 3.91Å; F550-I554 HydrophobicContact CE1-CG2 4.23Å; F550-I554 HydrophobicContact CE2-CG2 3.88Å; F550-I554 HydrophobicContact CZ-CD1 4.42Å; F550-I554 HydrophobicContact CZ-CG2 3.84Å; F550-I554 PolarHBondContact O-N 3.47Å
551V92Very high85.8Confident0 Ų054 Ų540%028%0.277CS..Hα-helixtrans-58.5-48.9177172.30000111V253 F254 C475 L479 W486 A547 K553 I554 Y555V253-V551 HydrophobicContact CG1-CG1 3.34Å; F254-V551 HydrophobicContact CE1-CG1 4.03Å; F254-V551 HydrophobicContact CZ-CG1 4.1Å; C475-V551 VanDerWaalsContact SG-CG2 3.57Å; L479-V551 HydrophobicContact CD1-CG2 3.93Å; W486-V551 HydrophobicContact CD2-CG2 4.08Å; W486-V551 HydrophobicContact CE3-CG2 4.25Å; W486-V551 HydrophobicContact CH2-CB 4.43Å; W486-V551 HydrophobicContact CH2-CG2 4.46Å; W486-V551 HydrophobicContact CZ2-CB 4.21Å; W486-V551 HydrophobicContact CZ2-CG1 3.96Å; W486-V551 HydrophobicContact CZ2-CG2 4.28Å; W486-V551 HydrophobicContact CZ3-CG2 4.44Å; A547-V551 WeakPolarHBondContact O-CB 3.42Å; A547-V551 WeakPolarHBondContact O-CG2 3.46Å; A547-V551 PolarHBondContact O-N 3.37Å; V551-K553 PolarHBondContact O-N 3.25Å; V551-I554 VanDerWaalsContact O-CG1 3.29Å; V551-I554 WeakPolarHBondContact O-CG1 3.49Å; V551-I554 PolarHBondContact O-N 2.8Å; V551-Y555 HydrophobicContact CG1-CD2 3.77Å; V551-Y555 HydrophobicContact CG1-CE2 3.95Å; V551-Y555 VanDerWaalsContact O-CD2 3.29Å; V551-Y555 WeakPolarHBondContact O-CD2 3.48Å; V551-Y555 PolarHBondContact O-N 2.96Å; V551-Y555 VanDerWaalsContact O-N 3.14Å
552G90.3Very high85.2Confident24 Ų2456.6 Ų56.625%0.24729%0.291CS..Hα-helixtrans-55.9-39.8176.200000112.5S548 R549 F550 S556S548-G552 PolarHBondContact O-N 3.44Å; R549-G552 PolarHBondContact O-N 3.44Å; F550-G552 PolarHBondContact O-N 3.42Å; G552-S556 VanDerWaalsContact O-CB 3.27Å; G552-S556 WeakPolarHBondContact O-CB 3.17Å; G552-S556 PolarHBondContact O-N 3.48Å; G552-S556 PolarHBondContact O-OG 3.35Å
553K88.1Confident84.5Confident144 Ų14458.6 Ų58.663%0.62630%0.301SS*.Hα-helixtrans-70.3-47.9179.9-171.760.4174.4174.20112.8R549 F550 V551 Y555 S556 S557R549-K553 WeakPolarHBondContact O-CB 3.36Å; R549-K553 PolarHBondContact O-N 3.22Å; F550-K553 PolarHBondContact O-N 3.18Å; F550-K553 VanDerWaalsContact O-N 3.11Å; V551-K553 PolarHBondContact O-N 3.25Å; K553-Y555 VanDerWaalsContact C-N 3.33Å; K553-Y555 PolarHBondContact O-N 3.17Å; K553-S556 PolarHBondContact O-N 3.46Å; K553-S556 PolarHBondContact O-OG 3.39Å; K553-S557 PolarHBondContact O-N 3.39Å; K553-S557 PolarHBondContact O-OG 3.22Å
554I85.8Confident83.8Confident5 Ų561.9 Ų61.93%0.02632%0.318CS..Hα-helixtrans-65.1-35.3-178.264.9177.6000112.3L216 W246 L479 F550 V551 S557L216-I554 HydrophobicContact CD1-CG2 4.39Å; W246-I554 HydrophobicContact CD2-CD1 4.5Å; W246-I554 HydrophobicContact CE3-CD1 3.93Å; W246-I554 HydrophobicContact CE3-CG1 4.34Å; W246-I554 HydrophobicContact CH2-CB 4Å; W246-I554 HydrophobicContact CH2-CG1 4.47Å; W246-I554 HydrophobicContact CZ3-CB 3.96Å; W246-I554 HydrophobicContact CZ3-CD1 4.01Å; W246-I554 HydrophobicContact CZ3-CG1 3.93Å; L479-I554 HydrophobicContact CD1-CD1 3.94Å; F550-I554 HydrophobicContact CD1-CD1 4.37Å; F550-I554 HydrophobicContact CD2-CG2 4.3Å; F550-I554 HydrophobicContact CE1-CD1 3.91Å; F550-I554 HydrophobicContact CE1-CG2 4.23Å; F550-I554 HydrophobicContact CE2-CG2 3.88Å; F550-I554 HydrophobicContact CZ-CD1 4.42Å; F550-I554 HydrophobicContact CZ-CG2 3.84Å; F550-I554 PolarHBondContact O-N 3.47Å; V551-I554 VanDerWaalsContact O-CG1 3.29Å; V551-I554 WeakPolarHBondContact O-CG1 3.49Å; V551-I554 PolarHBondContact O-N 2.8Å; I554-S557 PolarHBondContact O-OG 3.05Å
555Y87.4Confident83Confident1 Ų165.1 Ų65.10%0.00434%0.335CS..Hα-helixtrans-82.7-24.8177.3-74.2-78.6000113W246 H250 V253 F254 L479 V551 K553 S557 V558W246-Y555 AromaticContact CE3-CE1 3.85Å; W246-Y555 HydrophobicContact CE3-CE1 3.85Å; W246-Y555 HydrophobicContact CE3-CE2 4.12Å; W246-Y555 AromaticContact CE3-CZ 3.64Å; W246-Y555 HydrophobicContact CZ3-CD1 4.16Å; W246-Y555 AromaticContact CZ3-CE1 3.95Å; W246-Y555 HydrophobicContact CZ3-CE1 3.95Å; W246-Y555 HydrophobicContact CZ3-CE2 4.35Å; W246-Y555 HydrophobicContact CZ3-CG 4.46Å; W246-Y555 PolarHBondContact O-OH 3.46Å; H250-Y555 VanDerWaalsContact CA-CE1 3.48Å; H250-Y555 HydrophobicContact CB-CD1 3.86Å; H250-Y555 HydrophobicContact CB-CE1 3.72Å; V253-Y555 HydrophobicContact CB-CE2 4.11Å; V253-Y555 HydrophobicContact CG1-CD2 4.03Å; V253-Y555 HydrophobicContact CG1-CE2 3.58Å; V253-Y555 HydrophobicContact CG2-CE1 4.23Å; V253-Y555 HydrophobicContact CG2-CE2 3.84Å; V253-Y555 VanDerWaalsContact CG2-CZ 3.48Å; V253-Y555 WeakPolarHBondContact CG2-OH 3.38Å; F254-Y555 HydrophobicContact CE2-CD2 4.32Å; F254-Y555 HydrophobicContact CE2-CG 4.11Å; F254-Y555 HydrophobicContact CZ-CD2 4.17Å; F254-Y555 HydrophobicContact CZ-CG 4.26Å; L479-Y555 HydrophobicContact CD1-CE2 4.48Å; V551-Y555 HydrophobicContact CG1-CD2 3.77Å; V551-Y555 HydrophobicContact CG1-CE2 3.95Å; V551-Y555 VanDerWaalsContact O-CD2 3.29Å; V551-Y555 WeakPolarHBondContact O-CD2 3.48Å; V551-Y555 PolarHBondContact O-N 2.96Å; V551-Y555 VanDerWaalsContact O-N 3.14Å; K553-Y555 VanDerWaalsContact C-N 3.33Å; K553-Y555 PolarHBondContact O-N 3.17Å; Y555-S557 PolarHBondContact O-N 3.06Å; Y555-V558 PolarHBondContact O-N 2.93Å
556S83.5Confident82.2Confident68 Ų6865.1 Ų65.148%0.47634%0.335SS..Hα-helixtrans-65-22.317170.70000113.4G552 K553G552-S556 VanDerWaalsContact O-CB 3.27Å; G552-S556 WeakPolarHBondContact O-CB 3.17Å; G552-S556 PolarHBondContact O-N 3.48Å; G552-S556 PolarHBondContact O-OG 3.35Å; K553-S556 PolarHBondContact O-N 3.46Å; K553-S556 PolarHBondContact O-OG 3.39Å
557S76.4Confident81.3Confident47 Ų4768.4 Ų68.433%0.32935%0.349SS..THydrogen-bonded Turntrans-86.4-11.3175.143.40000114.1K553 I554 Y555 K559K553-S557 PolarHBondContact O-N 3.39Å; K553-S557 PolarHBondContact O-OG 3.22Å; I554-S557 PolarHBondContact O-OG 3.05Å; Y555-S557 PolarHBondContact O-N 3.06Å; S557-K559 PolarHBondContact O-N 2.97Å
558V73.8Confident80.3Confident12 Ų1273.3 Ų73.37%0.07337%0.374CS..  trans-83.9110.8178173.30000107.7W246 Y555 I560W246-V558 HydrophobicContact CH2-CG2 3.71Å; W246-V558 HydrophobicContact CZ3-CG2 3.84Å; Y555-V558 PolarHBondContact O-N 2.93Å; V558-I560 HydrophobicContact CG1-CD1 3.29Å; V558-I560 HydrophobicContact CG1-CG1 3.51Å; V558-I560 PolarHBondContact O-N 3.16Å
559K63.5Low79.2Confident171 Ų17175.3 Ų75.374%0.74338%0.377SS*.  trans-82.795.1171.5-69.8-174.3179.1-175.40108.1S557S557-K559 PolarHBondContact O-N 2.97Å
560I59.5Low78.1Confident71 Ų7166.1 Ų66.136%0.36435%0.35SS..  trans-11198165.4-65.6157.3000104.1H250 V558H250-I560 HydrophobicContact CB-CD1 3.82Å; H250-I560 WeakPolarHBondContact CD2-CD1 3.36Å; V558-I560 HydrophobicContact CG1-CD1 3.29Å; V558-I560 HydrophobicContact CG1-CG1 3.51Å; V558-I560 PolarHBondContact O-N 3.16Å
561D44.9Very low76.8Confident225 Ų22569.8 Ų69.8100%1.20337%0.372SS*.  trans-75.20170.2-72.7-29.5000109.7

Retrieved 561 of 561 residues in 457 ms (Link to these results)

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