A0A087Y349_POEFO Loading...

Histidine ammonia-lyase

AlphaFold DB , UniProt , Accession A0A087Y349, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 654 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
1M71.6Confident80.3Confident147 Ų14750.6 Ų50.672%0.72424%0.237SC*.  01210-76.8179-178.900105.3R3 R18M1-R3 PolarHBondContact O-N 3.39Å; M1-R18 HydrophobicContact CE-CG 3.88Å; M1-R18 HydrophobicContact CG-CG 4.46Å; M1-R18 HydrophobicContact SD-CG 3.77Å
2P78.3Confident80.2Confident39 Ų3947.4 Ų47.425%0.25322%0.221SC..  trans-51.4137178.1-28.735.8000111.4F4 C17 T20 D76P2-F4 HydrophobicContact CB-CE2 3.88Å; P2-F4 HydrophobicContact CB-CZ 3.93Å; P2-C17 WeakPolarHBondContact CD-O 3.4Å; P2-C17 PolarHBondContact O-N 2.85Å; P2-T20 HydrophobicContact CB-CG2 4.09Å; P2-T20 HydrophobicContact CG-CG2 3.68Å; P2-D76 WeakPolarHBondContact CA-OD1 3.46Å
3R83.1Confident80.8Confident120 Ų12044.5 Ų44.545%0.45321%0.208SC..EExtended strand (participates in β ladder)trans-123.3138.1178-78.8-179.4169.3177.8-2.3109M1 V15 A16 D76 N77 E288M1-R3 PolarHBondContact O-N 3.39Å; R3-V15 CarbonylContact C-O 3.58Å; R3-V15 WeakPolarHBondContact CA-O 3.31Å; R3-A16 HydrophobicContact CG-CB 4.22Å; R3-D76 PolarHBondContact N-OD1 2.97Å; R3-N77 WeakPolarHBondContact O-CA 3.48Å; R3-N77 PolarHBondContact O-N 2.65Å; R3-E288 IonicContact NH1-OE1 2.94Å; R3-E288 PolarHBondContact NH1-OE1 3.44Å
4F86.6Confident81.1Confident3 Ų343.4 Ų43.41%0.01321%0.21CC..EExtended strand (participates in β ladder)trans-125.2139.5177.6-56.3-79.5000108.3P2 A14 V15 C17 L27 I70 L74 E75 D78P2-F4 HydrophobicContact CB-CE2 3.88Å; P2-F4 HydrophobicContact CB-CZ 3.93Å; F4-A14 CarbonylContact O-C 3.53Å; F4-V15 PolarHBondContact N-O 2.99Å; F4-V15 PolarHBondContact O-N 3.25Å; F4-C17 HydrophobicContact CD2-CB 4Å; F4-C17 HydrophobicContact CE2-CB 3.6Å; F4-L27 HydrophobicContact CB-CD1 3.86Å; F4-L27 HydrophobicContact CB-CD2 4.21Å; F4-L27 HydrophobicContact CD2-CD1 4.15Å; F4-L27 HydrophobicContact CG-CD1 4.25Å; F4-L27 HydrophobicContact CG-CD2 4.36Å; F4-I70 HydrophobicContact CD2-CG2 4.28Å; F4-I70 HydrophobicContact CE1-CG2 3.69Å; F4-I70 HydrophobicContact CE2-CG2 3.42Å; F4-I70 VanDerWaalsContact CE2-CG2 3.42Å; F4-I70 HydrophobicContact CZ-CG2 3.08Å; F4-L74 HydrophobicContact CD1-CB 4.1Å; F4-L74 HydrophobicContact CD1-CD1 4.08Å; F4-L74 HydrophobicContact CE1-CB 3.67Å; F4-L74 HydrophobicContact CE1-CD1 4.33Å; F4-E75 WeakPolarHBondContact CE1-O 3.48Å; F4-D78 HydrophobicContact CD1-CB 4.25Å
5T84.7Confident81.6Confident9 Ų940.5 Ų40.56%0.05520%0.196CC..EExtended strand (participates in β ladder)trans-104.7114.8179.4-43.40000108.5W12 D78 F79 V80 Y285T5-W12 HydrophobicContact CG2-CB 4.02Å; T5-W12 HydrophobicContact CG2-CD2 4.3Å; T5-W12 HydrophobicContact CG2-CE3 3.6Å; T5-W12 HydrophobicContact CG2-CZ3 4.42Å; T5-D78 PolarHBondContact N-O 3.49Å; T5-F79 HydrophobicContact CG2-CD1 4.16Å; T5-F79 HydrophobicContact CG2-CE1 4.05Å; T5-F79 WeakPolarHBondContact O-CA 3.14Å; T5-V80 PolarHBondContact O-N 3.44Å; T5-Y285 HydrophobicContact CG2-CD2 4Å; T5-Y285 HydrophobicContact CG2-CG 4.1Å
6V87.9Confident81.9Confident1 Ų140 Ų401%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-107.8118.9-174.6-172.80000109.6I8 V13 V15 L27 A31 V80 L82V6-I8 HydrophobicContact CG1-CD1 4.5Å; V6-I8 HydrophobicContact CG1-CG1 4.14Å; V6-V13 PolarHBondContact N-O 3.21Å; V6-V13 PolarHBondContact O-N 2.94Å; V6-V15 HydrophobicContact CG2-CG2 3.96Å; V6-L27 HydrophobicContact CG2-CD1 4Å; V6-L27 HydrophobicContact CG2-CD2 4.49Å; V6-L27 HydrophobicContact CG2-CG 4.09Å; V6-A31 HydrophobicContact CB-CB 3.62Å; V6-A31 HydrophobicContact CG1-CB 3.59Å; V6-A31 HydrophobicContact CG2-CB 3.82Å; V6-V80 CarbonylContact C-O 3.54Å; V6-V80 VanDerWaalsContact CA-O 3.31Å; V6-V80 WeakPolarHBondContact CA-O 3.45Å; V6-V80 HydrophobicContact CB-CG2 4.21Å; V6-V80 HydrophobicContact CG1-CG2 4.14Å; V6-V80 HydrophobicContact CG2-CG2 3.73Å; V6-L82 HydrophobicContact CG1-CB 3.84Å; V6-L82 HydrophobicContact CG1-CD1 4.31Å
7H83.7Confident82.1Confident14 Ų1437.6 Ų37.67%0.06519%0.189CC..EExtended strand (participates in β ladder)trans-79.3124.6171.5-172.2-119.3000110.1R9 E11 W12 V80 E81 L82H7-R9 PolarHBondContact CE1-O 3.15Å; H7-R9 PolarHBondContact NE2-O 3.32Å; H7-E11 WeakPolarHBondContact CA-O 3.27Å; H7-W12 HydrophobicContact CB-CD2 3.8Å; H7-W12 HydrophobicContact CB-CE3 3.66Å; H7-W12 HydrophobicContact CB-CH2 3.62Å; H7-W12 HydrophobicContact CB-CZ2 3.64Å; H7-W12 HydrophobicContact CB-CZ3 3.59Å; H7-W12 AromaticContact CD2-CD1 3.71Å; H7-W12 AromaticContact CD2-CD2 3.83Å; H7-W12 AromaticContact CD2-CE2 3.36Å; H7-W12 AromaticContact CD2-CZ2 3.81Å; H7-W12 AromaticContact CD2-NE1 3.23Å; H7-W12 PolarHBondContact CD2-NE1 3.43Å; H7-W12 AromaticContact CG-CE2 3.77Å; H7-W12 AromaticContact CG-CZ2 3.8Å; H7-W12 AromaticContact NE2-NE1 3.89Å; H7-V80 PolarHBondContact N-O 3.07Å; H7-E81 HydrophobicContact CB-CB 4.22Å; H7-E81 HydrophobicContact CB-CG 4.2Å; H7-E81 IonicContact ND1-OE1 2.84Å; H7-L82 PolarHBondContact O-N 3.28Å
8I86Confident82Confident0 Ų047.2 Ų47.20%022%0.223CC..EExtended strand (participates in β ladder)trans-127.6112.3173.7-58.4167000106.9V6 D10 E11 V13 A31 L32 Y35 L82 I84V6-I8 HydrophobicContact CG1-CD1 4.5Å; V6-I8 HydrophobicContact CG1-CG1 4.14Å; I8-D10 PolarHBondContact O-N 3Å; I8-E11 PolarHBondContact N-O 3.09Å; I8-E11 PolarHBondContact O-N 3.01Å; I8-E11 VanDerWaalsContact O-N 3.07Å; I8-V13 HydrophobicContact CD1-CG2 4.4Å; I8-A31 HydrophobicContact CD1-CB 3.62Å; I8-A31 WeakPolarHBondContact CD1-O 3.42Å; I8-L32 HydrophobicContact CD1-CD2 4.42Å; I8-L32 HydrophobicContact CD1-CG 4.45Å; I8-L32 HydrophobicContact CG2-CD2 4.33Å; I8-Y35 HydrophobicContact CB-CD2 3.84Å; I8-Y35 HydrophobicContact CB-CE2 4.24Å; I8-Y35 HydrophobicContact CB-CG 4.17Å; I8-Y35 HydrophobicContact CD1-CG 4.26Å; I8-Y35 HydrophobicContact CG2-CD1 4.06Å; I8-Y35 HydrophobicContact CG2-CD2 3.86Å; I8-Y35 HydrophobicContact CG2-CE1 4.25Å; I8-Y35 HydrophobicContact CG2-CE2 4.05Å; I8-Y35 HydrophobicContact CG2-CG 3.87Å; I8-Y35 WeakPolarHBondContact O-CE2 3.31Å; I8-L82 HydrophobicContact CG1-CB 3.96Å; I8-L82 HydrophobicContact CG1-CD1 4.48Å; I8-L82 HydrophobicContact CG1-CD2 4.34Å; I8-L82 HydrophobicContact CG1-CG 4.49Å; I8-I84 HydrophobicContact CG2-CD1 4.09Å
9R80.3Confident82.2Confident86 Ų8649 Ų4933%0.32523%0.234SC..THydrogen-bonded Turntrans55.1-93-178.5-64.9174.8171.8177.60.4114.1H7 Y35 G43 D87H7-R9 PolarHBondContact CE1-O 3.15Å; H7-R9 PolarHBondContact NE2-O 3.32Å; R9-Y35 WeakPolarHBondContact CD-OH 3.41Å; R9-G43 PolarHBondContact NH1-O 3.11Å; R9-D87 VanDerWaalsContact CG-OD2 3.32Å; R9-D87 WeakPolarHBondContact CG-OD2 3.34Å; R9-D87 IonicContact CZ-OD1 3.35Å; R9-D87 IonicContact CZ-OD2 2.9Å; R9-D87 IonicContact NE-OD1 3.61Å; R9-D87 PolarHBondContact NE-OD1 3.29Å; R9-D87 IonicContact NE-OD2 2.69Å; R9-D87 PolarHBondContact NE-OD2 3.2Å; R9-D87 IonicContact NH2-OD1 3.59Å; R9-D87 PolarHBondContact NH2-OD1 3.38Å; R9-D87 IonicContact NH2-OD2 3.45Å
10D67.1Low82Confident95 Ų9548.8 Ų48.851%0.50824%0.236SC..THydrogen-bonded Turntrans-111.3-1.1-173.163.9-49.3000113.1I8 Y35 K39I8-D10 PolarHBondContact O-N 3Å; D10-Y35 PolarHBondContact OD1-OH 3.37Å; D10-K39 IonicContact OD1-NZ 2.59Å; D10-K39 PolarHBondContact OD1-NZ 3.03Å; D10-K39 IonicContact OD2-NZ 2.83Å; D10-K39 PolarHBondContact OD2-NZ 3.47Å
11E74.6Confident82.1Confident43 Ų4349.7 Ų49.720%0.20125%0.247CC..EExtended strand (participates in β ladder)trans-135144.8-168.5-169.2173.7155.200112.7H7 I8 Y35 K39H7-E11 WeakPolarHBondContact CA-O 3.27Å; I8-E11 PolarHBondContact N-O 3.09Å; I8-E11 PolarHBondContact O-N 3.01Å; I8-E11 VanDerWaalsContact O-N 3.07Å; E11-Y35 HydrophobicContact CB-CD2 4.19Å; E11-Y35 HydrophobicContact CB-CE2 3.99Å; E11-K39 WeakPolarHBondContact OE2-CE 3.36Å; E11-K39 IonicContact OE2-NZ 3.29Å; E11-K39 PolarHBondContact OE2-NZ 3.17Å
12W79.2Confident82.9Confident12 Ų1244.8 Ų44.85%0.04522%0.224CC..EExtended strand (participates in β ladder)trans-98.8128.5170.5-70.187.6000111.3T5 H7 C58 F79 W280 A281 Y285T5-W12 HydrophobicContact CG2-CB 4.02Å; T5-W12 HydrophobicContact CG2-CD2 4.3Å; T5-W12 HydrophobicContact CG2-CE3 3.6Å; T5-W12 HydrophobicContact CG2-CZ3 4.42Å; H7-W12 HydrophobicContact CB-CD2 3.8Å; H7-W12 HydrophobicContact CB-CE3 3.66Å; H7-W12 HydrophobicContact CB-CH2 3.62Å; H7-W12 HydrophobicContact CB-CZ2 3.64Å; H7-W12 HydrophobicContact CB-CZ3 3.59Å; H7-W12 AromaticContact CD2-CD1 3.71Å; H7-W12 AromaticContact CD2-CD2 3.83Å; H7-W12 AromaticContact CD2-CE2 3.36Å; H7-W12 AromaticContact CD2-CZ2 3.81Å; H7-W12 AromaticContact CD2-NE1 3.23Å; H7-W12 PolarHBondContact CD2-NE1 3.43Å; H7-W12 AromaticContact CG-CE2 3.77Å; H7-W12 AromaticContact CG-CZ2 3.8Å; H7-W12 AromaticContact NE2-NE1 3.89Å; W12-C58 VanDerWaalsContact CH2-SG 3.53Å; W12-F79 HydrophobicContact CE3-CD1 4.1Å; W12-F79 HydrophobicContact CH2-CB 4.32Å; W12-F79 HydrophobicContact CH2-CD1 4.12Å; W12-F79 HydrophobicContact CZ3-CB 4.04Å; W12-F79 AromaticContact CZ3-CD1 3.65Å; W12-F79 HydrophobicContact CZ3-CD1 3.65Å; W12-F79 HydrophobicContact CZ3-CG 4.34Å; W12-W280 WeakPolarHBondContact CZ2-O 3.24Å; W12-A281 HydrophobicContact CD2-CB 3.87Å; W12-A281 VanDerWaalsContact CE2-CA 3.5Å; W12-A281 VanDerWaalsContact CE2-CB 3.45Å; W12-A281 HydrophobicContact CE3-CB 4.31Å; W12-A281 HydrophobicContact CG-CB 4.44Å; W12-A281 HydrophobicContact CH2-CB 3.9Å; W12-A281 HydrophobicContact CZ2-CB 3.51Å; W12-A281 HydrophobicContact CZ3-CB 4.31Å; W12-Y285 HydrophobicContact CB-CD2 4.05Å; W12-Y285 HydrophobicContact CB-CE2 4.17Å
13V87.1Confident83.6Confident9 Ų945.3 Ų45.36%0.05523%0.225CC..EExtended strand (participates in β ladder)trans-119.1116.3-177.1-177.20000109.8V6 I8 V15 R34V6-V13 PolarHBondContact N-O 3.21Å; V6-V13 PolarHBondContact O-N 2.94Å; I8-V13 HydrophobicContact CD1-CG2 4.4Å; V13-V15 PolarHBondContact O-N 3.01Å; V13-R34 HydrophobicContact CG1-CB 3.39Å; V13-R34 HydrophobicContact CG1-CG 4.26Å
14A85.7Confident83.9Confident29 Ų2939.7 Ų39.724%0.2420%0.203CC..EExtended strand (participates in β ladder)trans-74.3124.3172.400000110.5F4 R34 Y285F4-A14 CarbonylContact O-C 3.53Å; A14-R34 PolarHBondContact O-NH1 3.08Å; A14-Y285 HydrophobicContact CB-CE1 4.04Å
15V88.9Confident84.2Confident0 Ų042.4 Ų42.40%022%0.216CC..EExtended strand (participates in β ladder)trans-110.7115.8175.4-174.30000109.7R3 F4 V6 V13 W26 L27 E30 A31R3-V15 CarbonylContact C-O 3.58Å; R3-V15 WeakPolarHBondContact CA-O 3.31Å; F4-V15 PolarHBondContact N-O 2.99Å; F4-V15 PolarHBondContact O-N 3.25Å; V6-V15 HydrophobicContact CG2-CG2 3.96Å; V13-V15 PolarHBondContact O-N 3.01Å; V15-W26 HydrophobicContact CG1-CH2 4.29Å; V15-W26 HydrophobicContact CG1-CZ3 4.29Å; V15-L27 HydrophobicContact CB-CD1 3.78Å; V15-L27 HydrophobicContact CG1-CD1 3.82Å; V15-L27 HydrophobicContact CG2-CD1 4.23Å; V15-E30 HydrophobicContact CG1-CB 4.05Å; V15-E30 HydrophobicContact CG1-CG 3.93Å; V15-A31 HydrophobicContact CG2-CB 3.76Å
16A85.8Confident84.6Confident33 Ų3344.9 Ų44.927%0.27323%0.225SC..EExtended strand (participates in β ladder)trans-87.6120.817400000109.2R3R3-A16 HydrophobicContact CG-CB 4.22Å
17C85.7Confident84.8Confident0 Ų044.9 Ų44.90%022%0.224CC..  trans-101.7127.4178.2-164.80000109.9P2 F4 D19 W26P2-C17 WeakPolarHBondContact CD-O 3.4Å; P2-C17 PolarHBondContact O-N 2.85Å; F4-C17 HydrophobicContact CD2-CB 4Å; F4-C17 HydrophobicContact CE2-CB 3.6Å; C17-D19 VanDerWaalsContact SG-C 3.59Å; C17-D19 PolarHBondContact SG-O 3.02Å; C17-W26 HydrophobicContact CB-CH2 4.25Å; C17-W26 HydrophobicContact CB-CZ3 4.09Å; C17-W26 VanDerWaalsContact SG-CZ3 3.56Å
18R79.5Confident85.2Confident210 Ų21044.2 Ų44.279%0.79222%0.222SC*.SBendtrans-92.2-22176.2-71.8-174179.8178.70.9112.8M1M1-R18 HydrophobicContact CE-CG 3.88Å; M1-R18 HydrophobicContact CG-CG 4.46Å; M1-R18 HydrophobicContact SD-CG 3.77Å
19D85.7Confident85.5Confident81 Ų8146.9 Ų46.943%0.43323%0.234SC..  trans-138.5103.6-174.2177.14.8000108.2C17 S21 N22C17-D19 VanDerWaalsContact SG-C 3.59Å; C17-D19 PolarHBondContact SG-O 3.02Å; D19-S21 PolarHBondContact O-N 3.22Å; D19-S21 WeakPolarHBondContact OD1-CB 3.47Å; D19-S21 PolarHBondContact OD1-N 3.08Å; D19-S21 VanDerWaalsContact OD1-N 3.1Å; D19-S21 PolarHBondContact OD1-OG 2.73Å; D19-S21 PolarHBondContact OD2-OG 2.92Å; D19-N22 PolarHBondContact O-N 3.47Å; D19-N22 PolarHBondContact O-ND2 2.87Å
20T78.6Confident86.1Confident45 Ų4544.8 Ų44.828%0.27623%0.228SC..THydrogen-bonded Turntrans-73.3-5.6-176.150.30000113.6P2 N22 I70 D71P2-T20 HydrophobicContact CB-CG2 4.09Å; P2-T20 HydrophobicContact CG-CG2 3.68Å; T20-N22 PolarHBondContact O-N 3.42Å; T20-I70 PolarHBondContact O-N 3.31Å; T20-D71 PolarHBondContact O-N 3Å
21S83.8Confident87.2Confident68 Ų6840.2 Ų40.248%0.47620%0.204SC..THydrogen-bonded Turntrans-74.3-7.1169.972.60000113.5D19D19-S21 PolarHBondContact O-N 3.22Å; D19-S21 WeakPolarHBondContact OD1-CB 3.47Å; D19-S21 PolarHBondContact OD1-N 3.08Å; D19-S21 VanDerWaalsContact OD1-N 3.1Å; D19-S21 PolarHBondContact OD1-OG 2.73Å; D19-S21 PolarHBondContact OD2-OG 2.92Å
22N89Confident88Confident44 Ų4438.2 Ų38.224%0.23519%0.194CC..SBendtrans-63.8148.5168.2-73.1-66.7000110.4D19 T20 W26 I70D19-N22 PolarHBondContact O-N 3.47Å; D19-N22 PolarHBondContact O-ND2 2.87Å; T20-N22 PolarHBondContact O-N 3.42Å; N22-W26 HydrophobicContact CB-CB 4.11Å; N22-W26 HydrophobicContact CB-CD2 3.75Å; N22-W26 HydrophobicContact CB-CE3 3.76Å; N22-W26 HydrophobicContact CB-CG 3.9Å; N22-W26 HydrophobicContact CB-CZ3 4.49Å; N22-I70 HydrophobicContact CB-CD1 4.09Å; N22-I70 WeakPolarHBondContact O-CB 3.22Å; N22-I70 WeakPolarHBondContact O-CD1 3.12Å; N22-I70 WeakPolarHBondContact O-CG1 3.42Å; N22-I70 PolarHBondContact O-N 3.47Å
23N91.9Very high88.5Confident50 Ų5042.5 Ų42.527%0.26721%0.213SC..BIsolated β-bridgetrans-88.7169.4-178.365.94.9000113.4Q25 W26 L27 A66 D68N23-Q25 PolarHBondContact O-N 3.35Å; N23-W26 WeakPolarHBondContact O-CB 3.29Å; N23-W26 PolarHBondContact O-N 3.19Å; N23-W26 WeakPolarHBondContact OD1-CB 3.38Å; N23-W26 PolarHBondContact OD1-N 3.03Å; N23-L27 PolarHBondContact O-N 3.5Å; N23-A66 WeakPolarHBondContact CB-O 3.06Å; N23-D68 CarbonylContact C-O 3.54Å; N23-D68 WeakPolarHBondContact CA-O 3.3Å; N23-D68 WeakPolarHBondContact CB-O 3.22Å
24I91.3Very high88.6Confident1 Ų145.9 Ų45.91%0.00523%0.225CC..Hα-helixtrans-59.4-33.9177.7-66.3-57.5000112.2W26 L27 G28 V55 L64 D65 A66 D68 I70 V73 L74I24-W26 VanDerWaalsContact C-N 3.31Å; I24-W26 PolarHBondContact O-N 3.27Å; I24-L27 HydrophobicContact CD1-CD2 4.4Å; I24-L27 WeakPolarHBondContact O-CB 3.24Å; I24-L27 PolarHBondContact O-N 3.29Å; I24-G28 PolarHBondContact O-N 3.13Å; I24-V55 HydrophobicContact CG2-CB 3.54Å; I24-V55 HydrophobicContact CG2-CG1 4.03Å; I24-V55 HydrophobicContact CG2-CG2 3.59Å; I24-L64 HydrophobicContact CD1-CD1 3.96Å; I24-L64 HydrophobicContact CG1-CB 4.2Å; I24-L64 HydrophobicContact CG1-CD1 4.43Å; I24-L64 HydrophobicContact CG2-CB 4.03Å; I24-D65 VanDerWaalsContact CB-O 3.31Å; I24-D65 WeakPolarHBondContact CB-O 3.43Å; I24-A66 PolarHBondContact N-O 3.31Å; I24-D68 HydrophobicContact CG1-CB 4.32Å; I24-D68 PolarHBondContact N-O 2.88Å; I24-I70 HydrophobicContact CD1-CG1 4.18Å; I24-V73 HydrophobicContact CD1-CG2 3.67Å; I24-V73 HydrophobicContact CG1-CG2 3.74Å; I24-L74 HydrophobicContact CD1-CD1 3.51Å; I24-L74 HydrophobicContact CD1-CG 4.08Å
25Q91.4Very high88.6Confident61 Ų6144.8 Ų44.829%0.28522%0.215SC..Hα-helixtrans-58.6-42.8173.4-174.462.94.900112.1N23 G28 Q29 A66N23-Q25 PolarHBondContact O-N 3.35Å; Q25-G28 PolarHBondContact O-N 2.85Å; Q25-Q29 WeakPolarHBondContact O-CG 3.41Å; Q25-Q29 PolarHBondContact O-N 2.69Å; Q25-A66 HydrophobicContact CB-CB 4.18Å; Q25-A66 WeakPolarHBondContact CB-O 3.24Å; Q25-A66 PolarHBondContact N-O 3.02Å
26W94Very high88.6Confident61 Ų6146 Ų4623%0.23122%0.221CC..Hα-helixtrans-62.6-44.8175.1174.794.3000111.5V15 C17 N22 N23 I24 G28 Q29 E30 I70V15-W26 HydrophobicContact CG1-CH2 4.29Å; V15-W26 HydrophobicContact CG1-CZ3 4.29Å; C17-W26 HydrophobicContact CB-CH2 4.25Å; C17-W26 HydrophobicContact CB-CZ3 4.09Å; C17-W26 VanDerWaalsContact SG-CZ3 3.56Å; N22-W26 HydrophobicContact CB-CB 4.11Å; N22-W26 HydrophobicContact CB-CD2 3.75Å; N22-W26 HydrophobicContact CB-CE3 3.76Å; N22-W26 HydrophobicContact CB-CG 3.9Å; N22-W26 HydrophobicContact CB-CZ3 4.49Å; N23-W26 WeakPolarHBondContact O-CB 3.29Å; N23-W26 PolarHBondContact O-N 3.19Å; N23-W26 WeakPolarHBondContact OD1-CB 3.38Å; N23-W26 PolarHBondContact OD1-N 3.03Å; I24-W26 VanDerWaalsContact C-N 3.31Å; I24-W26 PolarHBondContact O-N 3.27Å; W26-G28 VanDerWaalsContact C-N 3.3Å; W26-G28 PolarHBondContact O-N 3.14Å; W26-Q29 PolarHBondContact O-N 2.72Å; W26-E30 HydrophobicContact CH2-CB 4.48Å; W26-E30 HydrophobicContact CH2-CG 4.31Å; W26-E30 HydrophobicContact CZ2-CB 4.36Å; W26-E30 HydrophobicContact CZ2-CG 4.13Å; W26-E30 WeakPolarHBondContact O-CB 3.44Å; W26-E30 PolarHBondContact O-N 3.37Å; W26-I70 HydrophobicContact CE3-CD1 3.83Å; W26-I70 HydrophobicContact CZ3-CD1 4.07Å
27L92.2Very high88.6Confident0 Ų053 Ų530%025%0.245CC..Hα-helixtrans-57.1-46.1179.3177.561.3000110.9F4 V6 V15 N23 I24 E30 A31 I70 L74 V80F4-L27 HydrophobicContact CB-CD1 3.86Å; F4-L27 HydrophobicContact CB-CD2 4.21Å; F4-L27 HydrophobicContact CD2-CD1 4.15Å; F4-L27 HydrophobicContact CG-CD1 4.25Å; F4-L27 HydrophobicContact CG-CD2 4.36Å; V6-L27 HydrophobicContact CG2-CD1 4Å; V6-L27 HydrophobicContact CG2-CD2 4.49Å; V6-L27 HydrophobicContact CG2-CG 4.09Å; V15-L27 HydrophobicContact CB-CD1 3.78Å; V15-L27 HydrophobicContact CG1-CD1 3.82Å; V15-L27 HydrophobicContact CG2-CD1 4.23Å; N23-L27 PolarHBondContact O-N 3.5Å; I24-L27 HydrophobicContact CD1-CD2 4.4Å; I24-L27 WeakPolarHBondContact O-CB 3.24Å; I24-L27 PolarHBondContact O-N 3.29Å; L27-E30 PolarHBondContact O-N 2.87Å; L27-A31 WeakPolarHBondContact O-CB 3.48Å; L27-A31 PolarHBondContact O-N 2.84Å; L27-I70 HydrophobicContact CB-CD1 4.01Å; L27-I70 HydrophobicContact CB-CG1 4.46Å; L27-L74 HydrophobicContact CD2-CD1 3.5Å; L27-L74 VanDerWaalsContact CD2-CD1 3.5Å; L27-V80 HydrophobicContact CD2-CG2 4.13Å
28G91.4Very high88.1Confident1 Ų158 Ų581%0.0127%0.272CS..Hα-helixtrans-67.1-41178.900000113.8I24 Q25 W26 E30 A31 L32 L82I24-G28 PolarHBondContact O-N 3.13Å; Q25-G28 PolarHBondContact O-N 2.85Å; W26-G28 VanDerWaalsContact C-N 3.3Å; W26-G28 PolarHBondContact O-N 3.14Å; G28-E30 VanDerWaalsContact C-N 3.33Å; G28-E30 PolarHBondContact O-N 3.37Å; G28-A31 PolarHBondContact O-N 2.81Å; G28-L32 WeakPolarHBondContact O-CG 3.2Å; G28-L32 PolarHBondContact O-N 3.43Å; G28-L82 WeakPolarHBondContact O-CD1 3.42Å
29Q92.6Very high87.8Confident55 Ų5550.3 Ų50.326%0.25724%0.244SC..Hα-helixtrans-63.1-39.8175-73176.75.500112.3Q25 W26 L32 K33 V48 F53Q25-Q29 WeakPolarHBondContact O-CG 3.41Å; Q25-Q29 PolarHBondContact O-N 2.69Å; W26-Q29 PolarHBondContact O-N 2.72Å; Q29-L32 PolarHBondContact O-N 3Å; Q29-K33 WeakPolarHBondContact O-CG 3.13Å; Q29-K33 PolarHBondContact O-N 3.18Å; Q29-V48 HydrophobicContact CB-CG1 4.05Å; Q29-V48 HydrophobicContact CG-CG1 4.25Å; Q29-V48 WeakPolarHBondContact O-CG1 3.49Å; Q29-F53 HydrophobicContact CG-CE1 4.19Å; Q29-F53 HydrophobicContact CG-CZ 4.16Å
30E92.8Very high86.8Confident42 Ų4251.9 Ų51.920%0.19626%0.259CS..Hα-helixtrans-72.2-34-179.6-161.659.2-161.800111.9V15 W26 L27 G28 K33 R34V15-E30 HydrophobicContact CG1-CB 4.05Å; V15-E30 HydrophobicContact CG1-CG 3.93Å; W26-E30 HydrophobicContact CH2-CB 4.48Å; W26-E30 HydrophobicContact CH2-CG 4.31Å; W26-E30 HydrophobicContact CZ2-CB 4.36Å; W26-E30 HydrophobicContact CZ2-CG 4.13Å; W26-E30 WeakPolarHBondContact O-CB 3.44Å; W26-E30 PolarHBondContact O-N 3.37Å; L27-E30 PolarHBondContact O-N 2.87Å; G28-E30 VanDerWaalsContact C-N 3.33Å; G28-E30 PolarHBondContact O-N 3.37Å; E30-K33 WeakPolarHBondContact OE2-CD 3.46Å; E30-K33 IonicContact OE2-NZ 2.69Å; E30-K33 PolarHBondContact OE2-NZ 2.96Å; E30-R34 WeakPolarHBondContact O-CG 3.31Å; E30-R34 PolarHBondContact O-N 3.22Å
31A91Very high86.6Confident0 Ų057 Ų570%029%0.285CS..Hα-helixtrans-63.5-46.9169.800000111.7V6 I8 V15 L27 G28 K33 R34 Y35V6-A31 HydrophobicContact CB-CB 3.62Å; V6-A31 HydrophobicContact CG1-CB 3.59Å; V6-A31 HydrophobicContact CG2-CB 3.82Å; I8-A31 HydrophobicContact CD1-CB 3.62Å; I8-A31 WeakPolarHBondContact CD1-O 3.42Å; V15-A31 HydrophobicContact CG2-CB 3.76Å; L27-A31 WeakPolarHBondContact O-CB 3.48Å; L27-A31 PolarHBondContact O-N 2.84Å; G28-A31 PolarHBondContact O-N 2.81Å; A31-K33 PolarHBondContact O-N 3.5Å; A31-R34 PolarHBondContact O-N 3.38Å; A31-R34 VanDerWaalsContact O-N 3.13Å; A31-Y35 PolarHBondContact O-N 3.35Å
32L90.4Very high86.3Confident0 Ų057.7 Ų57.70%028%0.283CS..Hα-helixtrans-59.5-42.6177.4-79.7166.8000112.5I8 G28 Q29 R34 Y35 I36 I45 V48 T51 F53 L82 I84I8-L32 HydrophobicContact CD1-CD2 4.42Å; I8-L32 HydrophobicContact CD1-CG 4.45Å; I8-L32 HydrophobicContact CG2-CD2 4.33Å; G28-L32 WeakPolarHBondContact O-CG 3.2Å; G28-L32 PolarHBondContact O-N 3.43Å; Q29-L32 PolarHBondContact O-N 3Å; L32-R34 VanDerWaalsContact C-N 3.26Å; L32-R34 PolarHBondContact O-N 2.92Å; L32-Y35 PolarHBondContact O-N 2.71Å; L32-I36 WeakPolarHBondContact O-CB 3.38Å; L32-I36 VanDerWaalsContact O-CG1 3.27Å; L32-I36 WeakPolarHBondContact O-CG1 3.44Å; L32-I36 PolarHBondContact O-N 2.99Å; L32-I45 HydrophobicContact CD2-CD1 3.68Å; L32-V48 HydrophobicContact CB-CG1 3.97Å; L32-V48 HydrophobicContact CB-CG2 4.23Å; L32-V48 HydrophobicContact CD1-CG1 4.42Å; L32-T51 HydrophobicContact CD1-CG2 4.01Å; L32-T51 HydrophobicContact CD2-CG2 4.39Å; L32-F53 HydrophobicContact CD1-CD1 3.5Å; L32-F53 HydrophobicContact CD1-CE1 3.6Å; L32-F53 HydrophobicContact CD1-CG 4.38Å; L32-L82 HydrophobicContact CD1-CD1 4.33Å; L32-L82 HydrophobicContact CD1-CD2 4.29Å; L32-L82 HydrophobicContact CD2-CD2 4.03Å; L32-L82 HydrophobicContact CG-CD1 4.12Å; L32-L82 HydrophobicContact CG-CD2 4.13Å; L32-I84 HydrophobicContact CD2-CD1 3.85Å; L32-I84 HydrophobicContact CD2-CG1 4.46Å
33K89.9Confident85.4Confident102 Ų10256.2 Ų56.244%0.44328%0.278SS..Hα-helixtrans-57.9-41.2175.4-73.6176.2-155.4157.50112.1Q29 E30 A31 K37 V48Q29-K33 WeakPolarHBondContact O-CG 3.13Å; Q29-K33 PolarHBondContact O-N 3.18Å; E30-K33 WeakPolarHBondContact OE2-CD 3.46Å; E30-K33 IonicContact OE2-NZ 2.69Å; E30-K33 PolarHBondContact OE2-NZ 2.96Å; A31-K33 PolarHBondContact O-N 3.5Å; K33-K37 PolarHBondContact O-N 3.47Å; K33-V48 HydrophobicContact CG-CG1 4.2Å; K33-V48 HydrophobicContact CG-CG2 3.94Å
34R89.2Confident84.5Confident81 Ų8156.8 Ų56.831%0.30630%0.296SS..Hα-helixtrans-72.1-41.3179.6-72.6176.3-164.5-149.80.4111.5V13 A14 E30 A31 L32 K37V13-R34 HydrophobicContact CG1-CB 3.39Å; V13-R34 HydrophobicContact CG1-CG 4.26Å; A14-R34 PolarHBondContact O-NH1 3.08Å; E30-R34 WeakPolarHBondContact O-CG 3.31Å; E30-R34 PolarHBondContact O-N 3.22Å; A31-R34 PolarHBondContact O-N 3.38Å; A31-R34 VanDerWaalsContact O-N 3.13Å; L32-R34 VanDerWaalsContact C-N 3.26Å; L32-R34 PolarHBondContact O-N 2.92Å; R34-K37 PolarHBondContact O-N 2.93Å
35Y85.8Confident83.9Confident6 Ų657.1 Ų57.12%0.02430%0.297CS..Hα-helixtrans-57.4-52.2174.4179-97.3000111.5I8 R9 D10 E11 A31 L32 K37 N38 K39 I45I8-Y35 HydrophobicContact CB-CD2 3.84Å; I8-Y35 HydrophobicContact CB-CE2 4.24Å; I8-Y35 HydrophobicContact CB-CG 4.17Å; I8-Y35 HydrophobicContact CD1-CG 4.26Å; I8-Y35 HydrophobicContact CG2-CD1 4.06Å; I8-Y35 HydrophobicContact CG2-CD2 3.86Å; I8-Y35 HydrophobicContact CG2-CE1 4.25Å; I8-Y35 HydrophobicContact CG2-CE2 4.05Å; I8-Y35 HydrophobicContact CG2-CG 3.87Å; I8-Y35 WeakPolarHBondContact O-CE2 3.31Å; R9-Y35 WeakPolarHBondContact CD-OH 3.41Å; D10-Y35 PolarHBondContact OD1-OH 3.37Å; E11-Y35 HydrophobicContact CB-CD2 4.19Å; E11-Y35 HydrophobicContact CB-CE2 3.99Å; A31-Y35 PolarHBondContact O-N 3.35Å; L32-Y35 PolarHBondContact O-N 2.71Å; Y35-K37 VanDerWaalsContact C-N 3.28Å; Y35-K37 PolarHBondContact O-N 2.9Å; Y35-N38 PolarHBondContact O-N 3.45Å; Y35-N38 VanDerWaalsContact O-N 3.13Å; Y35-K39 HydrophobicContact CE1-CG 4.16Å; Y35-K39 VanDerWaalsContact CE2-CE 3.41Å; Y35-K39 HydrophobicContact CE2-CG 4.38Å; Y35-K39 WeakPolarHBondContact O-CG 3.11Å; Y35-I45 HydrophobicContact CD1-CD1 3.7Å; Y35-I45 HydrophobicContact CE1-CD1 3.82Å
36I88.2Confident83.2Confident26 Ų2660.7 Ų60.713%0.13332%0.323CS..Hα-helixtrans-57.4-41.5-179.7-72.2167.5000111.9L32 N38 K39 N42 I45 V48L32-I36 WeakPolarHBondContact O-CB 3.38Å; L32-I36 VanDerWaalsContact O-CG1 3.27Å; L32-I36 WeakPolarHBondContact O-CG1 3.44Å; L32-I36 PolarHBondContact O-N 2.99Å; I36-N38 PolarHBondContact O-N 3.13Å; I36-N38 VanDerWaalsContact O-N 3.14Å; I36-K39 PolarHBondContact O-N 3.28Å; I36-N42 HydrophobicContact CB-CB 4.47Å; I36-N42 HydrophobicContact CG1-CB 4.45Å; I36-N42 HydrophobicContact CG2-CB 3.55Å; I36-N42 WeakPolarHBondContact CG2-OD1 3.45Å; I36-I45 HydrophobicContact CD1-CB 3.94Å; I36-I45 HydrophobicContact CD1-CD1 4.49Å; I36-I45 HydrophobicContact CD1-CG2 3.61Å; I36-I45 HydrophobicContact CG1-CB 4.03Å; I36-I45 HydrophobicContact CG1-CD1 4.11Å; I36-I45 HydrophobicContact CG1-CG2 4.25Å; I36-V48 HydrophobicContact CD1-CG2 3.33Å
37K85.6Confident82.7Confident179 Ų17959.4 Ų59.478%0.77832%0.324SS*.Hα-helixtrans-60.9-25.6-177.3-170.5178.9178.9-1760113.2K33 R34 Y35K33-K37 PolarHBondContact O-N 3.47Å; R34-K37 PolarHBondContact O-N 2.93Å; Y35-K37 VanDerWaalsContact C-N 3.28Å; Y35-K37 PolarHBondContact O-N 2.9Å
38N74.9Confident82.3Confident106 Ų10660.6 Ų60.657%0.56733%0.331SS*.THydrogen-bonded Turntrans-1010.3-174.4-67.6-14.7000113.7Y35 I36Y35-N38 PolarHBondContact O-N 3.45Å; Y35-N38 VanDerWaalsContact O-N 3.13Å; I36-N38 PolarHBondContact O-N 3.13Å; I36-N38 VanDerWaalsContact O-N 3.14Å
39K75.1Confident81.8Confident48 Ų4869.5 Ų69.521%0.20937%0.369CS..SBendtrans-115.2142.4-174.7-64.8-66.4-162.9-166.80112.8D10 E11 Y35 I36 N42D10-K39 IonicContact OD1-NZ 2.59Å; D10-K39 PolarHBondContact OD1-NZ 3.03Å; D10-K39 IonicContact OD2-NZ 2.83Å; D10-K39 PolarHBondContact OD2-NZ 3.47Å; E11-K39 WeakPolarHBondContact OE2-CE 3.36Å; E11-K39 IonicContact OE2-NZ 3.29Å; E11-K39 PolarHBondContact OE2-NZ 3.17Å; Y35-K39 HydrophobicContact CE1-CG 4.16Å; Y35-K39 VanDerWaalsContact CE2-CE 3.41Å; Y35-K39 HydrophobicContact CE2-CG 4.38Å; Y35-K39 WeakPolarHBondContact O-CG 3.11Å; I36-K39 PolarHBondContact O-N 3.28Å; K39-N42 PolarHBondContact O-N 2.96Å
40P63.6Low81.3Confident113 Ų11374.1 Ų74.173%0.73439%0.391SS*.G310 helixtrans-60.9143.9163.425.2-29.5000110N42 G43P40-N42 PolarHBondContact O-N 3.02Å; P40-G43 PolarHBondContact O-N 2.71Å; P40-G43 VanDerWaalsContact O-N 3.08Å
41D74.5Confident80.9Confident153 Ų15373.1 Ų73.182%0.81839%0.387SS*.G310 helixtrans52.333.5-176.4-58.9-25.9000114.7G43 G44D41-G43 PolarHBondContact O-N 3.08Å; D41-G44 PolarHBondContact O-N 3.49Å
42N78.4Confident80.7Confident82 Ų8281.5 Ų81.544%0.43942%0.419SS..G310 helixtrans56.121.1-177.8-61.4-23.2000113.5I36 K39 P40 G44 I45I36-N42 HydrophobicContact CB-CB 4.47Å; I36-N42 HydrophobicContact CG1-CB 4.45Å; I36-N42 HydrophobicContact CG2-CB 3.55Å; I36-N42 WeakPolarHBondContact CG2-OD1 3.45Å; K39-N42 PolarHBondContact O-N 2.96Å; P40-N42 PolarHBondContact O-N 3.02Å; N42-G44 PolarHBondContact O-N 3.27Å; N42-I45 WeakPolarHBondContact CB-O 3.28Å; N42-I45 PolarHBondContact O-N 2.76Å
43G68.1Low80.6Confident14 Ų1482.5 Ų82.514%0.14442%0.423CS..G310 helixtrans59.931.6-171.600000112.4R9 P40 D41 I45R9-G43 PolarHBondContact NH1-O 3.11Å; P40-G43 PolarHBondContact O-N 2.71Å; P40-G43 VanDerWaalsContact O-N 3.08Å; D41-G43 PolarHBondContact O-N 3.08Å; G43-I45 PolarHBondContact O-N 3.46Å
44G73.6Confident80.5Confident61 Ų6182.4 Ų82.463%0.62943%0.427SS*.G310 helixtrans71.28.6-179.600000115D41 N42D41-G44 PolarHBondContact O-N 3.49Å; N42-G44 PolarHBondContact O-N 3.27Å
45I79.3Confident80.4Confident8 Ų878.8 Ų78.84%0.04141%0.414CS..  trans-94.4115.2174.3-63.7158.2000109.1L32 Y35 I36 N42 G43 T51 I84L32-I45 HydrophobicContact CD2-CD1 3.68Å; Y35-I45 HydrophobicContact CD1-CD1 3.7Å; Y35-I45 HydrophobicContact CE1-CD1 3.82Å; I36-I45 HydrophobicContact CD1-CB 3.94Å; I36-I45 HydrophobicContact CD1-CD1 4.49Å; I36-I45 HydrophobicContact CD1-CG2 3.61Å; I36-I45 HydrophobicContact CG1-CB 4.03Å; I36-I45 HydrophobicContact CG1-CD1 4.11Å; I36-I45 HydrophobicContact CG1-CG2 4.25Å; N42-I45 WeakPolarHBondContact CB-O 3.28Å; N42-I45 PolarHBondContact O-N 2.76Å; G43-I45 PolarHBondContact O-N 3.46Å; I45-T51 WeakPolarHBondContact CG2-OG1 3.37Å; I45-I84 HydrophobicContact CD1-CD1 3.92Å; I45-I84 HydrophobicContact CG1-CD1 4.36Å
46V76.3Confident80.2Confident136 Ų13681 Ų8182%0.82442%0.423SS*.SBendtrans-75.9-39.1-176.1-177.10000111.9
47S83.3Confident79.6Confident35 Ų3584.6 Ų84.625%0.24543%0.434CS..  trans-154.3124.3-177171.40000111.5K49 E50 T51S47-K49 PolarHBondContact O-N 3.07Å; S47-K49 PolarHBondContact OG-N 3.31Å; S47-E50 PolarHBondContact O-N 3.43Å; S47-E50 PolarHBondContact OG-N 3.03Å; S47-T51 PolarHBondContact O-N 3.44Å; S47-T51 PolarHBondContact O-OG1 2.98Å
48V84.3Confident78.8Confident24 Ų2477.6 Ų77.615%0.14541%0.408CS..THydrogen-bonded Turntrans-58-37175.8177.60000111.8Q29 L32 K33 I36 E50Q29-V48 HydrophobicContact CB-CG1 4.05Å; Q29-V48 HydrophobicContact CG-CG1 4.25Å; Q29-V48 WeakPolarHBondContact O-CG1 3.49Å; L32-V48 HydrophobicContact CB-CG1 3.97Å; L32-V48 HydrophobicContact CB-CG2 4.23Å; L32-V48 HydrophobicContact CD1-CG1 4.42Å; K33-V48 HydrophobicContact CG-CG1 4.2Å; K33-V48 HydrophobicContact CG-CG2 3.94Å; I36-V48 HydrophobicContact CD1-CG2 3.33Å; V48-E50 VanDerWaalsContact C-N 3.34Å
49K81.3Confident77.8Confident188 Ų18877.9 Ų77.982%0.81741%0.405SS*.THydrogen-bonded Turntrans-72.1-28.6-177.5-76.9-172.5174.3-174.90113.1S47S47-K49 PolarHBondContact O-N 3.07Å; S47-K49 PolarHBondContact OG-N 3.31Å
50E81.4Confident76.8Confident152 Ų15279.1 Ų79.171%0.7143%0.432SS*.THydrogen-bonded Turntrans-96.4-12.1-177.7-62.9174.517800112.1S47 V48 R52S47-E50 PolarHBondContact O-N 3.43Å; S47-E50 PolarHBondContact OG-N 3.03Å; V48-E50 VanDerWaalsContact C-N 3.34Å; E50-R52 PolarHBondContact O-N 3.42Å
51T84.9Confident76.3Confident21 Ų2180 Ų8013%0.12943%0.43CS..  trans-71.5116.8176.6-57.10000109.2L32 I45 S47 F53 I84L32-T51 HydrophobicContact CD1-CG2 4.01Å; L32-T51 HydrophobicContact CD2-CG2 4.39Å; I45-T51 WeakPolarHBondContact CG2-OG1 3.37Å; S47-T51 PolarHBondContact O-N 3.44Å; S47-T51 PolarHBondContact O-OG1 2.98Å; T51-F53 WeakPolarHBondContact O-CD1 3.49Å; T51-I84 HydrophobicContact CG2-CD1 4.35Å; T51-I84 HydrophobicContact CG2-CG1 4.28Å; T51-I84 HydrophobicContact CG2-CG2 3.64Å
52R87.6Confident75.9Confident177 Ų17774.3 Ų74.367%0.66841%0.407SS*.  trans-87136.1170.9-65.9-177179.3-176.2-0.3109.4E50 E85E50-R52 PolarHBondContact O-N 3.42Å; R52-E85 HydrophobicContact CB-CB 3.95Å; R52-E85 WeakPolarHBondContact CB-OE2 3.32Å; R52-E85 WeakPolarHBondContact CD-OE2 3.36Å; R52-E85 PolarHBondContact O-N 2.91Å
53F87.7Confident76.1Confident20 Ų2076 Ų769%0.08842%0.416CS..EExtended strand (participates in β ladder)trans-150.5162.1-179.959.6-93.8000110.5Q29 L32 T51 V55 L82 A83 I84Q29-F53 HydrophobicContact CG-CE1 4.19Å; Q29-F53 HydrophobicContact CG-CZ 4.16Å; L32-F53 HydrophobicContact CD1-CD1 3.5Å; L32-F53 HydrophobicContact CD1-CE1 3.6Å; L32-F53 HydrophobicContact CD1-CG 4.38Å; T51-F53 WeakPolarHBondContact O-CD1 3.49Å; F53-V55 HydrophobicContact CD2-CG2 3.87Å; F53-V55 HydrophobicContact CE2-CG2 3.81Å; F53-L82 HydrophobicContact CB-CD2 3.51Å; F53-L82 HydrophobicContact CB-CG 3.84Å; F53-L82 HydrophobicContact CD1-CD1 4.45Å; F53-L82 HydrophobicContact CD1-CD2 4.4Å; F53-L82 HydrophobicContact CD2-CD1 3.69Å; F53-L82 HydrophobicContact CD2-CD2 4.23Å; F53-L82 HydrophobicContact CD2-CG 3.68Å; F53-L82 HydrophobicContact CE2-CD1 3.97Å; F53-L82 HydrophobicContact CE2-CG 4.45Å; F53-L82 HydrophobicContact CG-CD1 3.97Å; F53-L82 HydrophobicContact CG-CD2 3.8Å; F53-L82 HydrophobicContact CG-CG 3.8Å; F53-L82 HydrophobicContact CZ-CD1 4.46Å; F53-A83 CarbonylContact C-O 3.59Å; F53-A83 WeakPolarHBondContact CA-O 3.43Å; F53-A83 WeakPolarHBondContact CB-O 3.32Å; F53-I84 HydrophobicContact CB-CG1 4.49Å
54L88.1Confident76.9Confident100 Ų10076 Ų7652%0.52441%0.413SS..EExtended strand (participates in β ladder)trans-118.1143169-64.4170.1000108.6L63 L82 A83L54-L63 HydrophobicContact CB-CD1 4.07Å; L54-L63 HydrophobicContact CD1-CD1 4.16Å; L54-L63 HydrophobicContact CD2-CD2 4.45Å; L54-L63 HydrophobicContact CG-CD1 4.5Å; L54-L82 CarbonylContact O-C 3.44Å; L54-L82 WeakPolarHBondContact O-CA 3.27Å; L54-A83 PolarHBondContact N-O 3.02Å; L54-A83 PolarHBondContact O-N 2.88Å
55V85.8Confident77.4Confident5 Ų577.5 Ų77.53%0.0341%0.406CS..EExtended strand (participates in β ladder)trans-105.5130.2173.6-1710000108.3I24 F53 L64 V80 E81I24-V55 HydrophobicContact CG2-CB 3.54Å; I24-V55 HydrophobicContact CG2-CG1 4.03Å; I24-V55 HydrophobicContact CG2-CG2 3.59Å; F53-V55 HydrophobicContact CD2-CG2 3.87Å; F53-V55 HydrophobicContact CE2-CG2 3.81Å; V55-L64 HydrophobicContact CG1-CD1 3.99Å; V55-L64 PolarHBondContact O-N 3.36Å; V55-V80 HydrophobicContact CG1-CB 3.67Å; V55-V80 HydrophobicContact CG1-CG1 4.23Å; V55-V80 HydrophobicContact CG1-CG2 3.85Å; V55-E81 CarbonylContact C-O 3.28Å; V55-E81 VanDerWaalsContact CA-O 3.3Å; V55-E81 WeakPolarHBondContact CA-O 2.8Å
56R83.4Confident77.7Confident54 Ų5478.9 Ų78.920%0.20442%0.419CS..EExtended strand (participates in β ladder)trans-127.9149176.265.4-178.2-176.8-168.7-2.4110.8G62 V80 E81R56-G62 WeakPolarHBondContact CA-O 3.31Å; R56-V80 CarbonylContact O-C 3.55Å; R56-V80 VanDerWaalsContact O-CA 3.3Å; R56-V80 WeakPolarHBondContact O-CA 3.12Å; R56-E81 HydrophobicContact CG-CB 3.88Å; R56-E81 IonicContact CZ-OE1 3.82Å; R56-E81 IonicContact CZ-OE2 2.8Å; R56-E81 PolarHBondContact N-O 2.79Å; R56-E81 VanDerWaalsContact NE-CD 3.3Å; R56-E81 IonicContact NE-OE1 3.58Å; R56-E81 IonicContact NE-OE2 2.7Å; R56-E81 PolarHBondContact NE-OE2 2.88Å; R56-E81 IonicContact NH2-OE1 2.76Å; R56-E81 PolarHBondContact NH2-OE1 2.82Å; R56-E81 IonicContact NH2-OE2 2.82Å; R56-E81 PolarHBondContact NH2-OE2 2.98Å; R56-E81 PolarHBondContact O-N 3.22Å
57R75.4Confident78.4Confident101 Ų10178.4 Ų78.438%0.38141%0.412SS..EExtended strand (participates in β ladder)trans-69.5139.4170.3-67.1-170.9178.6-176.54.9110Q59 G62 L64 V73R57-Q59 VanDerWaalsContact C-N 3.25Å; R57-Q59 WeakPolarHBondContact CB-O 2.83Å; R57-Q59 PolarHBondContact O-N 3.11Å; R57-G62 PolarHBondContact N-O 3.16Å; R57-L64 HydrophobicContact CG-CD1 4.23Å; R57-L64 HydrophobicContact CG-CD2 3.91Å; R57-L64 HydrophobicContact CG-CG 4.21Å; R57-V73 PolarHBondContact NE-O 3.45Å; R57-V73 PolarHBondContact NH2-O 3.23Å
58C68.3Low78.6Confident32 Ų3279.6 Ų79.622%0.21642%0.415CS..THydrogen-bonded Turntrans-70.8-27.8175.1-60.60000111.6W12 F79 V80 S278W12-C58 VanDerWaalsContact CH2-SG 3.53Å; C58-F79 HydrophobicContact CB-CB 4.2Å; C58-F79 PolarHBondContact N-O 3.42Å; C58-F79 PolarHBondContact SG-O 3.3Å; C58-V80 VanDerWaalsContact SG-C 3.58Å; C58-S278 VanDerWaalsContact CB-O 3.29Å; C58-S278 WeakPolarHBondContact CB-O 3.5Å
59Q52.9Low78.8Confident111 Ų11180.3 Ų80.352%0.51942%0.42SS..THydrogen-bonded Turntrans-95.7127.9171.7-166-178.68.200110.5R57 L61 P276R57-Q59 VanDerWaalsContact C-N 3.25Å; R57-Q59 WeakPolarHBondContact CB-O 2.83Å; R57-Q59 PolarHBondContact O-N 3.11Å; Q59-L61 VanDerWaalsContact C-N 3.28Å; Q59-L61 PolarHBondContact O-N 2.96Å; Q59-P276 PolarHBondContact NE2-O 2.95Å; Q59-P276 VanDerWaalsContact NE2-O 3.14Å; Q59-P276 PolarHBondContact OE1-O 3.34Å
60G54.7Low79.1Confident75 Ų7571.3 Ų71.377%0.77338%0.381SS*.THydrogen-bonded Turntrans77.7-1.1174.200000116.4G62G60-G62 PolarHBondContact O-N 3.26Å
61L52.2Low79.4Confident130 Ų13068.2 Ų68.268%0.68137%0.369SS*.THydrogen-bonded Turntrans55.121.5176.2-60.3173.8000115.3Q59 L63Q59-L61 VanDerWaalsContact C-N 3.28Å; Q59-L61 PolarHBondContact O-N 2.96Å; L61-L63 PolarHBondContact O-N 3.41Å
62G67.8Low79.5Confident34 Ų3473.4 Ų73.435%0.35140%0.396SS..PPolyproline II helixtrans-67.2123.6175.300000111R56 R57 G60R56-G62 WeakPolarHBondContact CA-O 3.31Å; R57-G62 PolarHBondContact N-O 3.16Å; G60-G62 PolarHBondContact O-N 3.26Å
63L81.1Confident79.3Confident117 Ų11766 Ų6661%0.61337%0.371SS*.EExtended strand (participates in β ladder)trans-67.7132.7167.9-15885.9000108.4L54 L61L54-L63 HydrophobicContact CB-CD1 4.07Å; L54-L63 HydrophobicContact CD1-CD1 4.16Å; L54-L63 HydrophobicContact CD2-CD2 4.45Å; L54-L63 HydrophobicContact CG-CD1 4.5Å; L61-L63 PolarHBondContact O-N 3.41Å
64L85.4Confident79.2Confident15 Ų1565.7 Ų65.78%0.07937%0.369CS..EExtended strand (participates in β ladder)trans-93.7135.9174.4-60.4177.5000109.1I24 V55 R57 V73 L74 V80I24-L64 HydrophobicContact CD1-CD1 3.96Å; I24-L64 HydrophobicContact CG1-CB 4.2Å; I24-L64 HydrophobicContact CG1-CD1 4.43Å; I24-L64 HydrophobicContact CG2-CB 4.03Å; V55-L64 HydrophobicContact CG1-CD1 3.99Å; V55-L64 PolarHBondContact O-N 3.36Å; R57-L64 HydrophobicContact CG-CD1 4.23Å; R57-L64 HydrophobicContact CG-CD2 3.91Å; R57-L64 HydrophobicContact CG-CG 4.21Å; L64-V73 HydrophobicContact CD2-CB 4.17Å; L64-V73 HydrophobicContact CD2-CG2 4.28Å; L64-L74 HydrophobicContact CD1-CD1 4.39Å; L64-L74 HydrophobicContact CD1-CD2 3.85Å; L64-L74 HydrophobicContact CD1-CG 4.28Å; L64-V80 HydrophobicContact CD1-CG1 3.89Å
65D84.8Confident79Confident93 Ų9368.2 Ų68.250%0.49738%0.379SS..PPolyproline II helixtrans-70.5140.7173.5-158.1-55.4000109.1I24 D67 D68I24-D65 VanDerWaalsContact CB-O 3.31Å; I24-D65 WeakPolarHBondContact CB-O 3.43Å; D65-D67 PolarHBondContact O-N 3.04Å; D65-D67 PolarHBondContact OD1-N 2.9Å; D65-D67 VanDerWaalsContact OD1-N 3.16Å; D65-D68 HydrophobicContact CB-CB 4.45Å; D65-D68 VanDerWaalsContact CB-OD2 3.28Å; D65-D68 WeakPolarHBondContact CB-OD2 3.41Å; D65-D68 PolarHBondContact N-OD2 3.09Å; D65-D68 PolarHBondContact O-N 3.28Å
66A86.1Confident78.7Confident37 Ų3772.3 Ų72.331%0.30640%0.401SS..THydrogen-bonded Turntrans-65.6-27-176.900000112N23 I24 Q25N23-A66 WeakPolarHBondContact CB-O 3.06Å; I24-A66 PolarHBondContact N-O 3.31Å; Q25-A66 HydrophobicContact CB-CB 4.18Å; Q25-A66 WeakPolarHBondContact CB-O 3.24Å; Q25-A66 PolarHBondContact N-O 3.02Å
67D89.3Confident78.3Confident125 Ų12572.3 Ų72.367%0.66841%0.405SS*.THydrogen-bonded Turntrans-90.4-12.6-177.8-69.9-31.5000113.8D65D65-D67 PolarHBondContact O-N 3.04Å; D65-D67 PolarHBondContact OD1-N 2.9Å; D65-D67 VanDerWaalsContact OD1-N 3.16Å
68D88.5Confident78.6Confident60 Ų6069.3 Ų69.332%0.32140%0.396SS..SBendtrans-62138.6175.7-71.2-24.7000110.5N23 I24 D65 V73N23-D68 CarbonylContact C-O 3.54Å; N23-D68 WeakPolarHBondContact CA-O 3.3Å; N23-D68 WeakPolarHBondContact CB-O 3.22Å; I24-D68 HydrophobicContact CG1-CB 4.32Å; I24-D68 PolarHBondContact N-O 2.88Å; D65-D68 HydrophobicContact CB-CB 4.45Å; D65-D68 VanDerWaalsContact CB-OD2 3.28Å; D65-D68 WeakPolarHBondContact CB-OD2 3.41Å; D65-D68 PolarHBondContact N-OD2 3.09Å; D65-D68 PolarHBondContact O-N 3.28Å; D68-V73 HydrophobicContact CB-CB 4.4Å; D68-V73 HydrophobicContact CB-CG1 3.72Å; D68-V73 HydrophobicContact CB-CG2 3.77Å
69T89.1Confident79.2Confident39 Ų3968.1 Ų68.124%0.23939%0.387CS..BIsolated β-bridgetrans-74.9147174.463.60000110.4D71 D72 V73T69-D71 VanDerWaalsContact C-N 3.27Å; T69-D71 WeakPolarHBondContact CB-OD1 3.43Å; T69-D71 PolarHBondContact O-N 3.07Å; T69-D71 PolarHBondContact OG1-OD1 3.37Å; T69-D72 PolarHBondContact O-N 3.27Å; T69-D72 VanDerWaalsContact O-N 3.11Å; T69-D72 WeakPolarHBondContact OG1-CB 3.39Å; T69-D72 PolarHBondContact OG1-OD2 3.4Å; T69-V73 WeakPolarHBondContact O-CG2 3.48Å; T69-V73 PolarHBondContact O-N 3.43Å
70I87.6Confident80.8Confident0 Ų062.9 Ų62.90%036%0.363CS..Hα-helixtrans-60.8-37-175.7-73.2164.3000111.6F4 T20 N22 I24 W26 L27 D72 L74F4-I70 HydrophobicContact CD2-CG2 4.28Å; F4-I70 HydrophobicContact CE1-CG2 3.69Å; F4-I70 HydrophobicContact CE2-CG2 3.42Å; F4-I70 VanDerWaalsContact CE2-CG2 3.42Å; F4-I70 HydrophobicContact CZ-CG2 3.08Å; T20-I70 PolarHBondContact O-N 3.31Å; N22-I70 HydrophobicContact CB-CD1 4.09Å; N22-I70 WeakPolarHBondContact O-CB 3.22Å; N22-I70 WeakPolarHBondContact O-CD1 3.12Å; N22-I70 WeakPolarHBondContact O-CG1 3.42Å; N22-I70 PolarHBondContact O-N 3.47Å; I24-I70 HydrophobicContact CD1-CG1 4.18Å; W26-I70 HydrophobicContact CE3-CD1 3.83Å; W26-I70 HydrophobicContact CZ3-CD1 4.07Å; L27-I70 HydrophobicContact CB-CD1 4.01Å; L27-I70 HydrophobicContact CB-CG1 4.46Å; I70-D72 VanDerWaalsContact C-N 3.33Å; I70-L74 HydrophobicContact CG2-CB 4.29Å; I70-L74 HydrophobicContact CG2-CD1 4.46Å; I70-L74 WeakPolarHBondContact O-CA 3.44Å; I70-L74 WeakPolarHBondContact O-CB 3.35Å; I70-L74 PolarHBondContact O-N 2.85Å; I70-L74 VanDerWaalsContact O-O 3.04Å
71D87.8Confident82.2Confident86 Ų8660.1 Ų60.146%0.4633%0.33SS..Hα-helixtrans-70.5-24.5177.249.2-1.2000114.8T20 T69T20-D71 PolarHBondContact O-N 3Å; T69-D71 VanDerWaalsContact C-N 3.27Å; T69-D71 WeakPolarHBondContact CB-OD1 3.43Å; T69-D71 PolarHBondContact O-N 3.07Å; T69-D71 PolarHBondContact OG1-OD1 3.37Å
72D85.6Confident84Confident130 Ų13054.1 Ų54.170%0.69530%0.298SS*.Hα-helixtrans-78-31.7177.5-78-11.4000111.8T69 I70T69-D72 PolarHBondContact O-N 3.27Å; T69-D72 VanDerWaalsContact O-N 3.11Å; T69-D72 WeakPolarHBondContact OG1-CB 3.39Å; T69-D72 PolarHBondContact OG1-OD2 3.4Å; I70-D72 VanDerWaalsContact C-N 3.33Å
73V84.4Confident84.7Confident23 Ų2353.7 Ų53.714%0.13929%0.292CS..Hα-helixtrans-125.60.4-170.5-59.30000115.6I24 R57 L64 D68 T69I24-V73 HydrophobicContact CD1-CG2 3.67Å; I24-V73 HydrophobicContact CG1-CG2 3.74Å; R57-V73 PolarHBondContact NE-O 3.45Å; R57-V73 PolarHBondContact NH2-O 3.23Å; L64-V73 HydrophobicContact CD2-CB 4.17Å; L64-V73 HydrophobicContact CD2-CG2 4.28Å; D68-V73 HydrophobicContact CB-CB 4.4Å; D68-V73 HydrophobicContact CB-CG1 3.72Å; D68-V73 HydrophobicContact CB-CG2 3.77Å; T69-V73 WeakPolarHBondContact O-CG2 3.48Å; T69-V73 PolarHBondContact O-N 3.43Å
74L84.5Confident84.9Confident12 Ų1249 Ų496%0.06327%0.267CS..  trans-140.9143.1176-64.2173.3000112.4F4 I24 L27 L64 I70 D78 V80F4-L74 HydrophobicContact CD1-CB 4.1Å; F4-L74 HydrophobicContact CD1-CD1 4.08Å; F4-L74 HydrophobicContact CE1-CB 3.67Å; F4-L74 HydrophobicContact CE1-CD1 4.33Å; I24-L74 HydrophobicContact CD1-CD1 3.51Å; I24-L74 HydrophobicContact CD1-CG 4.08Å; L27-L74 HydrophobicContact CD2-CD1 3.5Å; L27-L74 VanDerWaalsContact CD2-CD1 3.5Å; L64-L74 HydrophobicContact CD1-CD1 4.39Å; L64-L74 HydrophobicContact CD1-CD2 3.85Å; L64-L74 HydrophobicContact CD1-CG 4.28Å; I70-L74 HydrophobicContact CG2-CB 4.29Å; I70-L74 HydrophobicContact CG2-CD1 4.46Å; I70-L74 WeakPolarHBondContact O-CA 3.44Å; I70-L74 WeakPolarHBondContact O-CB 3.35Å; I70-L74 PolarHBondContact O-N 2.85Å; I70-L74 VanDerWaalsContact O-O 3.04Å; L74-D78 WeakPolarHBondContact CA-OD2 3.46Å; L74-D78 HydrophobicContact CB-CB 4.32Å; L74-D78 HydrophobicContact CD2-CB 3.94Å; L74-D78 WeakPolarHBondContact CD2-OD2 3.21Å; L74-V80 HydrophobicContact CD1-CG1 4.1Å; L74-V80 HydrophobicContact CD2-CG1 3.52Å; L74-V80 HydrophobicContact CG-CG1 4.49Å
75E83.6Confident84.6Confident153 Ų15354.7 Ų54.772%0.71529%0.293SS*.  trans-95.9159.3171.8-62.6-177-169.800111.5F4 N77 D78F4-E75 WeakPolarHBondContact CE1-O 3.48Å; E75-N77 PolarHBondContact O-N 2.99Å; E75-D78 VanDerWaalsContact N-CG 3.33Å; E75-D78 PolarHBondContact N-OD2 2.94Å; E75-D78 VanDerWaalsContact O-CB 3.25Å; E75-D78 WeakPolarHBondContact O-CB 3.33Å; E75-D78 VanDerWaalsContact O-CG 3.31Å; E75-D78 PolarHBondContact O-N 3.36Å
76D79.9Confident83.9Confident92 Ų9254 Ų5449%0.49231%0.308SS..THydrogen-bonded Turntrans-60.6128.6177.6-174.326.4000111.3P2 R3P2-D76 WeakPolarHBondContact CA-OD1 3.46Å; R3-D76 PolarHBondContact N-OD1 2.97Å
77N75.6Confident83.2Confident54 Ų5454.9 Ų54.929%0.28931%0.307SS..THydrogen-bonded Turntrans73.421.9-172-48.2-76.2000115.7R3 E75 F79 A289R3-N77 WeakPolarHBondContact O-CA 3.48Å; R3-N77 PolarHBondContact O-N 2.65Å; E75-N77 PolarHBondContact O-N 2.99Å; N77-F79 WeakPolarHBondContact O-CD2 3.4Å; N77-F79 VanDerWaalsContact O-CE2 3.3Å; N77-F79 WeakPolarHBondContact O-CE2 3.33Å; N77-A289 HydrophobicContact CB-CB 4.25Å
78D80.7Confident81.2Confident37 Ų3755.3 Ų55.320%0.19832%0.315CS..  trans-64.9151.5172.3-90.40.8000113.7F4 T5 L74 E75F4-D78 HydrophobicContact CD1-CB 4.25Å; T5-D78 PolarHBondContact N-O 3.49Å; L74-D78 WeakPolarHBondContact CA-OD2 3.46Å; L74-D78 HydrophobicContact CB-CB 4.32Å; L74-D78 HydrophobicContact CD2-CB 3.94Å; L74-D78 WeakPolarHBondContact CD2-OD2 3.21Å; E75-D78 VanDerWaalsContact N-CG 3.33Å; E75-D78 PolarHBondContact N-OD2 2.94Å; E75-D78 VanDerWaalsContact O-CB 3.25Å; E75-D78 WeakPolarHBondContact O-CB 3.33Å; E75-D78 VanDerWaalsContact O-CG 3.31Å; E75-D78 PolarHBondContact O-N 3.36Å
79F81.7Confident79Confident8 Ų857 Ų574%0.03532%0.322CS..EExtended strand (participates in β ladder)trans-109.6120.7178.6-65.8-101.9000110.4T5 W12 C58 N77 S278 A281 A289T5-F79 HydrophobicContact CG2-CD1 4.16Å; T5-F79 HydrophobicContact CG2-CE1 4.05Å; T5-F79 WeakPolarHBondContact O-CA 3.14Å; W12-F79 HydrophobicContact CE3-CD1 4.1Å; W12-F79 HydrophobicContact CH2-CB 4.32Å; W12-F79 HydrophobicContact CH2-CD1 4.12Å; W12-F79 HydrophobicContact CZ3-CB 4.04Å; W12-F79 AromaticContact CZ3-CD1 3.65Å; W12-F79 HydrophobicContact CZ3-CD1 3.65Å; W12-F79 HydrophobicContact CZ3-CG 4.34Å; C58-F79 HydrophobicContact CB-CB 4.2Å; C58-F79 PolarHBondContact N-O 3.42Å; C58-F79 PolarHBondContact SG-O 3.3Å; N77-F79 WeakPolarHBondContact O-CD2 3.4Å; N77-F79 VanDerWaalsContact O-CE2 3.3Å; N77-F79 WeakPolarHBondContact O-CE2 3.33Å; F79-S278 VanDerWaalsContact CD2-CB 3.42Å; F79-S278 VanDerWaalsContact CE2-CB 3.5Å; F79-S278 VanDerWaalsContact CG-CB 3.46Å; F79-A281 HydrophobicContact CD1-CB 3.84Å; F79-A281 HydrophobicContact CE1-CB 3.77Å; F79-A289 HydrophobicContact CE2-CB 3.67Å; F79-A289 HydrophobicContact CZ-CB 3.8Å
80V86.3Confident76.6Confident0 Ų057.6 Ų57.60%033%0.327CS..EExtended strand (participates in β ladder)trans-127.8153178.4-630000110.3T5 V6 H7 L27 V55 R56 C58 L64 L74T5-V80 PolarHBondContact O-N 3.44Å; V6-V80 CarbonylContact C-O 3.54Å; V6-V80 VanDerWaalsContact CA-O 3.31Å; V6-V80 WeakPolarHBondContact CA-O 3.45Å; V6-V80 HydrophobicContact CB-CG2 4.21Å; V6-V80 HydrophobicContact CG1-CG2 4.14Å; V6-V80 HydrophobicContact CG2-CG2 3.73Å; H7-V80 PolarHBondContact N-O 3.07Å; L27-V80 HydrophobicContact CD2-CG2 4.13Å; V55-V80 HydrophobicContact CG1-CB 3.67Å; V55-V80 HydrophobicContact CG1-CG1 4.23Å; V55-V80 HydrophobicContact CG1-CG2 3.85Å; R56-V80 CarbonylContact O-C 3.55Å; R56-V80 VanDerWaalsContact O-CA 3.3Å; R56-V80 WeakPolarHBondContact O-CA 3.12Å; C58-V80 VanDerWaalsContact SG-C 3.58Å; L64-V80 HydrophobicContact CD1-CG1 3.89Å; L74-V80 HydrophobicContact CD1-CG1 4.1Å; L74-V80 HydrophobicContact CD2-CG1 3.52Å; L74-V80 HydrophobicContact CG-CG1 4.49Å
81E85.3Confident74Confident18 Ų1863.2 Ų63.28%0.08436%0.364CS..EExtended strand (participates in β ladder)trans-112.9133.8175.5180179.5-178.600110H7 V55 R56H7-E81 HydrophobicContact CB-CB 4.22Å; H7-E81 HydrophobicContact CB-CG 4.2Å; H7-E81 IonicContact ND1-OE1 2.84Å; V55-E81 CarbonylContact C-O 3.28Å; V55-E81 VanDerWaalsContact CA-O 3.3Å; V55-E81 WeakPolarHBondContact CA-O 2.8Å; R56-E81 HydrophobicContact CG-CB 3.88Å; R56-E81 IonicContact CZ-OE1 3.82Å; R56-E81 IonicContact CZ-OE2 2.8Å; R56-E81 PolarHBondContact N-O 2.79Å; R56-E81 VanDerWaalsContact NE-CD 3.3Å; R56-E81 IonicContact NE-OE1 3.58Å; R56-E81 IonicContact NE-OE2 2.7Å; R56-E81 PolarHBondContact NE-OE2 2.88Å; R56-E81 IonicContact NH2-OE1 2.76Å; R56-E81 PolarHBondContact NH2-OE1 2.82Å; R56-E81 IonicContact NH2-OE2 2.82Å; R56-E81 PolarHBondContact NH2-OE2 2.98Å; R56-E81 PolarHBondContact O-N 3.22Å
82L88.1Confident71.5Confident3 Ų366 Ų662%0.01638%0.379CS..EExtended strand (participates in β ladder)trans-102.6104176.6-170.5148.9000108.6V6 H7 I8 G28 L32 F53 L54 I84V6-L82 HydrophobicContact CG1-CB 3.84Å; V6-L82 HydrophobicContact CG1-CD1 4.31Å; H7-L82 PolarHBondContact O-N 3.28Å; I8-L82 HydrophobicContact CG1-CB 3.96Å; I8-L82 HydrophobicContact CG1-CD1 4.48Å; I8-L82 HydrophobicContact CG1-CD2 4.34Å; I8-L82 HydrophobicContact CG1-CG 4.49Å; G28-L82 WeakPolarHBondContact O-CD1 3.42Å; L32-L82 HydrophobicContact CD1-CD1 4.33Å; L32-L82 HydrophobicContact CD1-CD2 4.29Å; L32-L82 HydrophobicContact CD2-CD2 4.03Å; L32-L82 HydrophobicContact CG-CD1 4.12Å; L32-L82 HydrophobicContact CG-CD2 4.13Å; F53-L82 HydrophobicContact CB-CD2 3.51Å; F53-L82 HydrophobicContact CB-CG 3.84Å; F53-L82 HydrophobicContact CD1-CD1 4.45Å; F53-L82 HydrophobicContact CD1-CD2 4.4Å; F53-L82 HydrophobicContact CD2-CD1 3.69Å; F53-L82 HydrophobicContact CD2-CD2 4.23Å; F53-L82 HydrophobicContact CD2-CG 3.68Å; F53-L82 HydrophobicContact CE2-CD1 3.97Å; F53-L82 HydrophobicContact CE2-CG 4.45Å; F53-L82 HydrophobicContact CG-CD1 3.97Å; F53-L82 HydrophobicContact CG-CD2 3.8Å; F53-L82 HydrophobicContact CG-CG 3.8Å; F53-L82 HydrophobicContact CZ-CD1 4.46Å; L54-L82 CarbonylContact O-C 3.44Å; L54-L82 WeakPolarHBondContact O-CA 3.27Å; L82-I84 HydrophobicContact CD2-CD1 4.21Å; L82-I84 HydrophobicContact CD2-CG1 3.48Å; L82-I84 VanDerWaalsContact CD2-CG1 3.48Å
83A83.8Confident69.1Low26 Ų2662.9 Ų62.922%0.21536%0.359CS..EExtended strand (participates in β ladder)trans-89.4109.1176.900000109.5F53 L54F53-A83 CarbonylContact C-O 3.59Å; F53-A83 WeakPolarHBondContact CA-O 3.43Å; F53-A83 WeakPolarHBondContact CB-O 3.32Å; L54-A83 PolarHBondContact N-O 3.02Å; L54-A83 PolarHBondContact O-N 2.88Å
84I85.9Confident66.8Low19 Ų1966.5 Ų66.510%0.09738%0.377CS..EExtended strand (participates in β ladder)trans-78.8132.5178.8-57.8175.4000109.6I8 L32 I45 T51 F53 L82 G86 D87I8-I84 HydrophobicContact CG2-CD1 4.09Å; L32-I84 HydrophobicContact CD2-CD1 3.85Å; L32-I84 HydrophobicContact CD2-CG1 4.46Å; I45-I84 HydrophobicContact CD1-CD1 3.92Å; I45-I84 HydrophobicContact CG1-CD1 4.36Å; T51-I84 HydrophobicContact CG2-CD1 4.35Å; T51-I84 HydrophobicContact CG2-CG1 4.28Å; T51-I84 HydrophobicContact CG2-CG2 3.64Å; F53-I84 HydrophobicContact CB-CG1 4.49Å; L82-I84 HydrophobicContact CD2-CD1 4.21Å; L82-I84 HydrophobicContact CD2-CG1 3.48Å; L82-I84 VanDerWaalsContact CD2-CG1 3.48Å; I84-G86 PolarHBondContact O-N 3.41Å; I84-D87 WeakPolarHBondContact CB-OD2 3.07Å; I84-D87 PolarHBondContact O-N 2.59Å
85E78.9Confident64.1Low133 Ų13369.9 Ų69.962%0.62140%0.4SS*.THydrogen-bonded Turntrans-67.5122.8178.7-161.5177.4-172.900110.2R52R52-E85 HydrophobicContact CB-CB 3.95Å; R52-E85 WeakPolarHBondContact CB-OE2 3.32Å; R52-E85 WeakPolarHBondContact CD-OE2 3.36Å; R52-E85 PolarHBondContact O-N 2.91Å
86G69.6Low61.7Low78 Ų7867 Ų6780%0.80440%0.395SS*.THydrogen-bonded Turntrans97.9-8.7-178.200000115.2I84 T88I84-G86 PolarHBondContact O-N 3.41Å; G86-T88 PolarHBondContact O-N 3.35Å
87D70.7Confident59.4Low56 Ų5670.8 Ų70.830%0.29941%0.41SS..  trans-70.3117.1164.9-77.3-7.9000109R9 I84 M89R9-D87 VanDerWaalsContact CG-OD2 3.32Å; R9-D87 WeakPolarHBondContact CG-OD2 3.34Å; R9-D87 IonicContact CZ-OD1 3.35Å; R9-D87 IonicContact CZ-OD2 2.9Å; R9-D87 IonicContact NE-OD1 3.61Å; R9-D87 PolarHBondContact NE-OD1 3.29Å; R9-D87 IonicContact NE-OD2 2.69Å; R9-D87 PolarHBondContact NE-OD2 3.2Å; R9-D87 IonicContact NH2-OD1 3.59Å; R9-D87 PolarHBondContact NH2-OD1 3.38Å; R9-D87 IonicContact NH2-OD2 3.45Å; I84-D87 WeakPolarHBondContact CB-OD2 3.07Å; I84-D87 PolarHBondContact O-N 2.59Å; D87-M89 PolarHBondContact O-N 3.33Å; D87-M89 VanDerWaalsContact O-N 3.14Å
88T48.1Very low57.3Low135 Ų13574.1 Ų74.183%0.82843%0.434SS*.  trans-64.1112.7154.640.40000106.3G86 S90G86-T88 PolarHBondContact O-N 3.35Å; T88-S90 PolarHBondContact O-N 3.24Å; T88-S90 VanDerWaalsContact O-N 3.16Å
89M41.6Very low55.2Low96 Ų9674.9 Ų74.947%0.47345%0.451SS..  trans-36.9124.7172.2-74.4-78.8178.600108.9D87 F93D87-M89 PolarHBondContact O-N 3.33Å; D87-M89 VanDerWaalsContact O-N 3.14Å; M89-F93 HydrophobicContact SD-CD1 3.8Å; M89-F93 HydrophobicContact SD-CE1 4.17Å; M89-F93 HydrophobicContact SD-CG 4.45Å
90S38.2Very low53.4Low50 Ų5079.1 Ų79.135%0.3548%0.478SS..  trans-51.7135.8177.3176.40000108.3T88 D92 F93T88-S90 PolarHBondContact O-N 3.24Å; T88-S90 VanDerWaalsContact O-N 3.16Å; S90-D92 PolarHBondContact O-N 2.6Å; S90-D92 WeakPolarHBondContact OG-CB 3.3Å; S90-D92 PolarHBondContact OG-N 3.27Å; S90-D92 VanDerWaalsContact OG-N 3.08Å; S90-D92 PolarHBondContact OG-OD2 3.14Å; S90-F93 WeakPolarHBondContact O-CA 3.28Å; S90-F93 WeakPolarHBondContact O-CB 3.36Å; S90-F93 PolarHBondContact O-N 3.08Å
91P34.6Very low51.6Low119 Ų11980 Ų8077%0.77348%0.483SS*.THydrogen-bonded Turntrans-58.4-14169.422.6-30.5000112.6F93P91-F93 VanDerWaalsContact C-N 3.32Å
92D34.5Very low50.1Low143 Ų14383.8 Ų83.877%0.76550%0.504SS*.THydrogen-bonded Turntrans-78.3-15.5170.9-55.3-39.7000113.3S90 I94S90-D92 PolarHBondContact O-N 2.6Å; S90-D92 WeakPolarHBondContact OG-CB 3.3Å; S90-D92 PolarHBondContact OG-N 3.27Å; S90-D92 VanDerWaalsContact OG-N 3.08Å; S90-D92 PolarHBondContact OG-OD2 3.14Å; D92-I94 PolarHBondContact O-N 3.29Å
93F36.3Very low48.6Very low65 Ų6583.8 Ų83.829%0.28550%0.504SS..  trans-87.388161.1-172.5-101.2000107.4M89 S90 P91 P95M89-F93 HydrophobicContact SD-CD1 3.8Å; M89-F93 HydrophobicContact SD-CE1 4.17Å; M89-F93 HydrophobicContact SD-CG 4.45Å; S90-F93 WeakPolarHBondContact O-CA 3.28Å; S90-F93 WeakPolarHBondContact O-CB 3.36Å; S90-F93 PolarHBondContact O-N 3.08Å; P91-F93 VanDerWaalsContact C-N 3.32Å; F93-P95 HydrophobicContact CD1-CB 4.45Å; F93-P95 HydrophobicContact CD1-CG 4.37Å; F93-P95 HydrophobicContact CE1-CB 3.82Å; F93-P95 HydrophobicContact CE1-CG 4.15Å; F93-P95 HydrophobicContact CZ-CB 4.42Å; F93-P95 WeakPolarHBondContact O-CD 3.18Å
94I35Very low47.1Very low100 Ų10086.3 Ų86.351%0.51352%0.517SS..  trans-78.3102.3158.3-56.7171.9000104D92 C96D92-I94 PolarHBondContact O-N 3.29Å; I94-C96 VanDerWaalsContact C-N 3.3Å; I94-C96 PolarHBondContact O-N 3.38Å
95P28.7Very low45.4Very low83 Ų8390.1 Ų90.154%0.53955%0.552SS.*  trans-54.6114.3155.124-27.1000103F93 E97F93-P95 HydrophobicContact CD1-CB 4.45Å; F93-P95 HydrophobicContact CD1-CG 4.37Å; F93-P95 HydrophobicContact CE1-CB 3.82Å; F93-P95 HydrophobicContact CE1-CG 4.15Å; F93-P95 HydrophobicContact CZ-CB 4.42Å; F93-P95 WeakPolarHBondContact O-CD 3.18Å; P95-E97 VanDerWaalsContact C-N 3.27Å; P95-E97 PolarHBondContact O-N 3.27Å
96C33.3Very low44.1Very low93 Ų9387.5 Ų87.563%0.62855%0.553SS**  trans-48.7105.3174.3-164.50000104.4I94 P98I94-C96 VanDerWaalsContact C-N 3.3Å; I94-C96 PolarHBondContact O-N 3.38Å; C96-P98 VanDerWaalsContact O-N 3.12Å
97E29.8Very low43.9Very low171 Ų17186.4 Ų86.480%0.79953%0.525SS*.  trans-50.2128.8164.7-81.4-168160.600103.6P95 G99P95-E97 VanDerWaalsContact C-N 3.27Å; P95-E97 PolarHBondContact O-N 3.27Å; E97-G99 PolarHBondContact O-N 3.13Å
98P32.7Very low44.1Very low123 Ų12392.3 Ų92.380%0.79955%0.548SS*.  trans-65.987.7-171.125.5-32.3000108C96 V100C96-P98 VanDerWaalsContact O-N 3.12Å; P98-V100 PolarHBondContact O-N 3.02Å
99G37Very low45.7Very low53 Ų5391.9 Ų91.955%0.54654%0.536SS..  trans-51.1131.8140.400000105E97 S101E97-G99 PolarHBondContact O-N 3.13Å; G99-S101 PolarHBondContact O-N 2.9Å
100V43.2Very low47.9Very low98 Ų9887.8 Ų87.859%0.59452%0.517SS*.  trans-59.485.2-179.4-176.50000108.1P98 N102P98-V100 PolarHBondContact O-N 3.02Å; V100-N102 PolarHBondContact O-N 3.45Å
101S49.2Very low50.4Low17 Ų1791.1 Ų91.112%0.11954%0.535CS..  trans-88.9109176.8173.70000106.8G99 I103 T104 E205G99-S101 PolarHBondContact O-N 2.9Å; S101-I103 PolarHBondContact O-N 2.76Å; S101-I103 VanDerWaalsContact O-N 3.07Å; S101-I103 PolarHBondContact OG-N 2.93Å; S101-T104 PolarHBondContact O-N 2.93Å; S101-T104 PolarHBondContact O-OG1 3.46Å; S101-T104 WeakPolarHBondContact OG-CG2 3.36Å; S101-E205 VanDerWaalsContact C-OE1 3.29Å; S101-E205 WeakPolarHBondContact CA-OE1 3.39Å; S101-E205 VanDerWaalsContact CB-OE1 3.31Å; S101-E205 WeakPolarHBondContact CB-OE1 3.44Å; S101-E205 PolarHBondContact OG-OE1 3.24Å; S101-E205 PolarHBondContact OG-OE2 3.48Å
102N52.5Low53.3Low98 Ų9891.1 Ų91.152%0.52453%0.525SS..THydrogen-bonded Turntrans-60.7-17.6176.5-68.7-43000111.9V100 E205V100-N102 PolarHBondContact O-N 3.45Å; N102-E205 PolarHBondContact N-OE1 3.42Å
103I56.6Low56.3Low3 Ų389.8 Ų89.82%0.01551%0.51CS..THydrogen-bonded Turntrans-87.1-15.4179.9-66.1-177.1000112.7S101 Y107 G130 P204 E205 W274S101-I103 PolarHBondContact O-N 2.76Å; S101-I103 VanDerWaalsContact O-N 3.07Å; S101-I103 PolarHBondContact OG-N 2.93Å; I103-Y107 HydrophobicContact CB-CD2 4.49Å; I103-Y107 HydrophobicContact CG1-CD2 4.35Å; I103-Y107 HydrophobicContact CG2-CD2 3.93Å; I103-Y107 HydrophobicContact CG2-CG 4.4Å; I103-Y107 VanDerWaalsContact O-CB 3.26Å; I103-Y107 WeakPolarHBondContact O-CB 3.09Å; I103-G130 VanDerWaalsContact CD1-O 3.32Å; I103-G130 WeakPolarHBondContact CD1-O 3.39Å; I103-P204 HydrophobicContact CB-CB 4.46Å; I103-P204 HydrophobicContact CD1-CB 4.31Å; I103-P204 HydrophobicContact CG2-CB 4.33Å; I103-E205 HydrophobicContact CD1-CG 3.98Å; I103-E205 HydrophobicContact CG1-CG 4.23Å; I103-E205 PolarHBondContact N-OE1 3.29Å; I103-W274 HydrophobicContact CB-CH2 4.4Å; I103-W274 HydrophobicContact CG2-CH2 3.03Å; I103-W274 HydrophobicContact CG2-CZ2 3.77Å; I103-W274 HydrophobicContact CG2-CZ3 3.56Å
104T53.8Low59.2Low79 Ų7988.1 Ų88.149%0.48550%0.504SS..THydrogen-bonded Turntrans-88.4-31.2-170.454.10000116.3S101S101-T104 PolarHBondContact O-N 2.93Å; S101-T104 PolarHBondContact O-OG1 3.46Å; S101-T104 WeakPolarHBondContact OG-CG2 3.36Å
105A48.6Very low62.2Low100 Ų10085.8 Ų85.883%0.82650%0.496SS*.SBendtrans-114-15.8-173.400000115.1
106A52.1Low65.5Low78 Ų7881.9 Ų81.965%0.64547%0.471SS*.SBendtrans-143.321.9-173.300000114K108A106-K108 PolarHBondContact O-N 3.4Å; A106-K108 VanDerWaalsContact O-N 3.08Å
107Y64.5Low68.6Low54 Ų5479.3 Ų79.321%0.21245%0.451CS..  trans-60.5117.2-178.1179.8-98000111.1I103 S240 P276I103-Y107 HydrophobicContact CB-CD2 4.49Å; I103-Y107 HydrophobicContact CG1-CD2 4.35Å; I103-Y107 HydrophobicContact CG2-CD2 3.93Å; I103-Y107 HydrophobicContact CG2-CG 4.4Å; I103-Y107 VanDerWaalsContact O-CB 3.26Å; I103-Y107 WeakPolarHBondContact O-CB 3.09Å; Y107-S240 PolarHBondContact OH-OG 3.24Å; Y107-P276 HydrophobicContact CD1-CB 3.74Å; Y107-P276 HydrophobicContact CD1-CG 3.58Å; Y107-P276 HydrophobicContact CE1-CB 4.15Å; Y107-P276 HydrophobicContact CE1-CG 3.54Å; Y107-P276 HydrophobicContact CG-CB 4.35Å; Y107-P276 HydrophobicContact CG-CG 4.16Å
108K76.6Confident71.8Confident180 Ų18071.2 Ų71.278%0.78341%0.413SS*.  trans-106.5132.2168-68.7-176.9179.6-179.20107.4A106 P110A106-K108 PolarHBondContact O-N 3.4Å; A106-K108 VanDerWaalsContact O-N 3.08Å; K108-P110 WeakPolarHBondContact O-CD 3.27Å
109E81.8Confident74.9Confident126 Ų12669 Ų6959%0.58940%0.395SS*.  trans-60.3124.3178.5-166.7-179.6164.700110K135E109-K135 WeakPolarHBondContact OE1-CE 3.38Å; E109-K135 IonicContact OE1-NZ 2.85Å; E109-K135 PolarHBondContact OE1-NZ 3.18Å
110P87.1Confident77.8Confident10 Ų1069.9 Ų69.97%0.06539%0.392CS..  trans-66.7138.7-178.820.4-27.7000111.2K108 G132 L133 K135K108-P110 WeakPolarHBondContact O-CD 3.27Å; P110-G132 WeakPolarHBondContact CB-O 3.21Å; P110-G132 WeakPolarHBondContact CG-O 3.43Å; P110-L133 WeakPolarHBondContact CB-O 3.43Å; P110-K135 HydrophobicContact CB-CG 4.38Å; P110-K135 HydrophobicContact CG-CG 3.92Å; P110-K135 WeakPolarHBondContact O-CD 3.26Å; P110-K135 WeakPolarHBondContact O-CE 3.37Å; P110-K135 PolarHBondContact O-NZ 2.98Å
111T89.8Confident80.4Confident121 Ų12165.4 Ų65.474%0.74237%0.365SS*.  trans-97.9-25.1175.952.60000112.3
112E96Very high82.8Confident118 Ų11867.1 Ų67.155%0.55138%0.375SS*.  trans-83.9146.9-179.5-63.6-170.6177.600111.5Y134 K135E112-Y134 HydrophobicContact CB-CD1 3.78Å; E112-Y134 HydrophobicContact CB-CE1 3.99Å; E112-Y134 WeakPolarHBondContact O-CA 3.5Å; E112-Y134 WeakPolarHBondContact OE2-CE1 3.38Å; E112-K135 PolarHBondContact O-N 2.93Å
113Y97.4Very high84.9Confident116 Ų11662.5 Ų62.546%0.45535%0.35SS..EExtended strand (participates in β ladder)trans-115.2138.4178.3-74-99.7000110.3K135 K137Y113-K135 CarbonylContact C-O 3.56Å; Y113-K135 VanDerWaalsContact CA-O 3.31Å; Y113-K135 WeakPolarHBondContact CA-O 3.34Å; Y113-K135 HydrophobicContact CD1-CB 3.52Å; Y113-K135 HydrophobicContact CD2-CB 4.43Å; Y113-K135 HydrophobicContact CE1-CB 3.5Å; Y113-K135 VanDerWaalsContact CE1-CB 3.5Å; Y113-K135 HydrophobicContact CE1-CD 4Å; Y113-K135 HydrophobicContact CE1-CG 4.36Å; Y113-K135 HydrophobicContact CE2-CB 4.42Å; Y113-K135 HydrophobicContact CE2-CD 4.17Å; Y113-K135 HydrophobicContact CG-CB 4.01Å; Y113-K137 HydrophobicContact CD1-CB 4.01Å; Y113-K137 HydrophobicContact CD1-CD 4.14Å; Y113-K137 HydrophobicContact CD1-CG 4.16Å; Y113-K137 HydrophobicContact CG-CD 4.21Å
114I97.9Very high86.9Confident30 Ų3064.6 Ų64.615%0.15436%0.364CS..EExtended strand (participates in β ladder)trans-98.8136.3159.4-161.7168.4000109.2L116 L121 D125 L129 Y134 K135 I136 K137I114-L116 HydrophobicContact CG2-CD2 4.27Å; I114-L121 HydrophobicContact CD1-CD1 3.85Å; I114-D125 HydrophobicContact CD1-CB 3.71Å; I114-L129 HydrophobicContact CG2-CD1 4.07Å; I114-L129 HydrophobicContact CG2-CD2 3.72Å; I114-L129 HydrophobicContact CG2-CG 4.21Å; I114-Y134 HydrophobicContact CB-CG 4.49Å; I114-K135 PolarHBondContact N-O 3.11Å; I114-I136 HydrophobicContact CG2-CG1 4.18Å; I114-K137 PolarHBondContact O-N 3.13Å
115S98Very high89Confident50 Ų5062.8 Ų62.835%0.3535%0.351SS..EExtended strand (participates in β ladder)trans-90.2124.7175.7-57.20000109.3K137S115-K137 CarbonylContact C-O 3.51Å; S115-K137 WeakPolarHBondContact CA-O 3.41Å; S115-K137 WeakPolarHBondContact OG-CE 3.46Å
116L98.4Very high91.4Very high2 Ų258 Ų581%0.0131%0.312CS..EExtended strand (participates in β ladder)trans-97.9131.6175.1-60.8-172.2000110.9I114 L121 I136 K137 L138 T139 I215 N216I114-L116 HydrophobicContact CG2-CD2 4.27Å; L116-L121 HydrophobicContact CD2-CD1 3.83Å; L116-L121 HydrophobicContact CD2-CD2 4.33Å; L116-L121 HydrophobicContact CD2-CG 4.5Å; L116-I136 HydrophobicContact CD1-CB 4.48Å; L116-I136 HydrophobicContact CD1-CD1 3.77Å; L116-I136 HydrophobicContact CD1-CG1 4.01Å; L116-I136 HydrophobicContact CD1-CG2 3.63Å; L116-I136 HydrophobicContact CG-CG1 4.39Å; L116-I136 HydrophobicContact CG-CG2 3.88Å; L116-K137 PolarHBondContact N-O 2.58Å; L116-L138 HydrophobicContact CB-CD2 4.41Å; L116-T139 PolarHBondContact O-N 3.08Å; L116-T139 VanDerWaalsContact O-N 3.11Å; L116-I215 HydrophobicContact CD1-CB 4.32Å; L116-I215 HydrophobicContact CD1-CG2 3.83Å; L116-N216 HydrophobicContact CD1-CB 4.17Å
117D97.9Very high93.6Very high39 Ų3955 Ų5521%0.20929%0.285CS..  trans-122.3-1.7178.664.32.4000113.1N119 S120 T139D117-N119 VanDerWaalsContact C-N 3.33Å; D117-N119 PolarHBondContact O-ND2 3.36Å; D117-N119 WeakPolarHBondContact OD1-CA 3.49Å; D117-N119 PolarHBondContact OD1-N 3.22Å; D117-S120 PolarHBondContact OD1-N 3.44Å; D117-S120 PolarHBondContact OD1-OG 3.36Å; D117-S120 WeakPolarHBondContact OD2-CB 3.42Å; D117-S120 PolarHBondContact OD2-OG 3.18Å; D117-T139 HydrophobicContact CB-CG2 3.96Å
118G97.7Very high95.1Very high1 Ų153.7 Ų53.71%0.0128%0.282CS..SBendtrans74.214-173.900000115.3N216 K220G118-N216 WeakPolarHBondContact CA-O 3.42Å; G118-N216 VanDerWaalsContact CA-OD1 3.27Å; G118-N216 WeakPolarHBondContact CA-OD1 3.38Å; G118-N216 PolarHBondContact N-OD1 3.22Å; G118-N216 VanDerWaalsContact N-OD1 3.17Å; G118-K220 PolarHBondContact O-NZ 3.06Å
119N97.9Very high96Very high76 Ų7645.1 Ų45.141%0.40624%0.244SC..SBendtrans-140.9-28.3-170.8-65.2-77.9000115.4D117 K220 N423D117-N119 VanDerWaalsContact C-N 3.33Å; D117-N119 PolarHBondContact O-ND2 3.36Å; D117-N119 WeakPolarHBondContact OD1-CA 3.49Å; D117-N119 PolarHBondContact OD1-N 3.22Å; N119-K220 PolarHBondContact OD1-NZ 3.27Å; N119-N423 VanDerWaalsContact C-CG 3.4Å; N119-N423 PolarHBondContact O-OD1 2.91Å
120S97.3Very high96.7Very high71 Ų7139.2 Ų39.250%0.49722%0.217SC..  trans-115.27-167.557.20000115.6D117 N423D117-S120 PolarHBondContact OD1-N 3.44Å; D117-S120 PolarHBondContact OD1-OG 3.36Å; D117-S120 WeakPolarHBondContact OD2-CB 3.42Å; D117-S120 PolarHBondContact OD2-OG 3.18Å; S120-N423 PolarHBondContact N-OD1 3.48Å
121L97.9Very high96.9Very high4 Ų443.9 Ų43.92%0.02123%0.233CC..  trans-75.3131.3-178.2-170.569.2000111I114 L116 D125 L126 L129 L213 N216 I422 N423I114-L121 HydrophobicContact CD1-CD1 3.85Å; L116-L121 HydrophobicContact CD2-CD1 3.83Å; L116-L121 HydrophobicContact CD2-CD2 4.33Å; L116-L121 HydrophobicContact CD2-CG 4.5Å; L121-D125 HydrophobicContact CD1-CB 3.44Å; L121-D125 VanDerWaalsContact CD1-CB 3.44Å; L121-D125 HydrophobicContact CG-CB 4.28Å; L121-L126 HydrophobicContact CD2-CD1 4.22Å; L121-L129 HydrophobicContact CD1-CD1 4.02Å; L121-L213 HydrophobicContact CD2-CD2 4.1Å; L121-N216 HydrophobicContact CD2-CB 4.31Å; L121-I422 HydrophobicContact CB-CG2 3.84Å; L121-I422 HydrophobicContact CD2-CG2 3.95Å; L121-I422 HydrophobicContact CG-CG2 4.03Å; L121-I422 WeakPolarHBondContact O-CG2 3.04Å; L121-N423 PolarHBondContact N-OD1 2.88Å; L121-N423 PolarHBondContact O-ND2 3.06Å
122T98.3Very high97Very high54 Ų5438.4 Ų38.433%0.33120%0.201SC..  trans-97.9162.4174.571.40000112.3T124 D125 L126T122-T124 PolarHBondContact O-N 3.38Å; T122-T124 PolarHBondContact OG1-N 3.07Å; T122-D125 WeakPolarHBondContact CB-OD2 3.25Å; T122-D125 PolarHBondContact N-OD2 2.79Å; T122-D125 PolarHBondContact O-N 3.39Å; T122-D125 PolarHBondContact OG1-N 2.9Å; T122-D125 VanDerWaalsContact OG1-N 3.12Å; T122-D125 PolarHBondContact OG1-OD2 2.97Å; T122-L126 PolarHBondContact O-N 3.16Å
123S98.2Very high96.9Very high0 Ų037 Ų370%020%0.197CC..Hα-helixtrans-55.7-35.6169.435.40000112.7L126 V127 E321 Q415 N419S123-L126 PolarHBondContact O-N 3.4Å; S123-V127 WeakPolarHBondContact O-CG2 3.14Å; S123-V127 PolarHBondContact O-N 3.47Å; S123-E321 PolarHBondContact OG-OE1 3.22Å; S123-Q415 PolarHBondContact OG-NE2 3.34Å; S123-Q415 VanDerWaalsContact OG-NE2 3.07Å; S123-N419 WeakPolarHBondContact CB-OD1 2.98Å; S123-N419 PolarHBondContact N-OD1 2.79Å; S123-N419 PolarHBondContact OG-OD1 2.87Å
124T97.9Very high96.9Very high48 Ų4834.2 Ų34.229%0.29419%0.186SC..Hα-helixtrans-66.1-46.9175.8-57.30000111T122 L126 V127 N128 E321 R324T122-T124 PolarHBondContact O-N 3.38Å; T122-T124 PolarHBondContact OG1-N 3.07Å; T124-L126 VanDerWaalsContact C-N 3.28Å; T124-L126 PolarHBondContact O-N 2.62Å; T124-V127 PolarHBondContact O-N 3.39Å; T124-N128 VanDerWaalsContact O-CG 3.3Å; T124-N128 PolarHBondContact O-N 2.99Å; T124-N128 PolarHBondContact O-ND2 3.34Å; T124-E321 PolarHBondContact OG1-OE1 2.99Å; T124-R324 PolarHBondContact OG1-NH2 2.9Å
125D98.3Very high96.9Very high41 Ų4134 Ų3422%0.21918%0.184CC..Hα-helixtrans-60-41176.8-60.7-43.2000111.4I114 L121 T122 N128 L129I114-D125 HydrophobicContact CD1-CB 3.71Å; L121-D125 HydrophobicContact CD1-CB 3.44Å; L121-D125 VanDerWaalsContact CD1-CB 3.44Å; L121-D125 HydrophobicContact CG-CB 4.28Å; T122-D125 WeakPolarHBondContact CB-OD2 3.25Å; T122-D125 PolarHBondContact N-OD2 2.79Å; T122-D125 PolarHBondContact O-N 3.39Å; T122-D125 PolarHBondContact OG1-N 2.9Å; T122-D125 VanDerWaalsContact OG1-N 3.12Å; T122-D125 PolarHBondContact OG1-OD2 2.97Å; D125-N128 PolarHBondContact O-N 3.17Å; D125-L129 WeakPolarHBondContact O-CG 3.22Å; D125-L129 PolarHBondContact O-N 3.12Å
126L98.6Very high96.9Very high0 Ų031.7 Ų31.70%017%0.168CC..Hα-helixtrans-63-46.7178.2-174.865.9000112.1L121 T122 S123 T124 N128 L129 G130 M209 A212 L213 A317 I422L121-L126 HydrophobicContact CD2-CD1 4.22Å; T122-L126 PolarHBondContact O-N 3.16Å; S123-L126 PolarHBondContact O-N 3.4Å; T124-L126 VanDerWaalsContact C-N 3.28Å; T124-L126 PolarHBondContact O-N 2.62Å; L126-N128 VanDerWaalsContact C-N 3.27Å; L126-N128 PolarHBondContact O-N 3.03Å; L126-L129 WeakPolarHBondContact O-CB 3.44Å; L126-L129 PolarHBondContact O-N 3.07Å; L126-G130 PolarHBondContact O-N 3.24Å; L126-M209 HydrophobicContact CD1-CB 4.07Å; L126-M209 HydrophobicContact CD1-CG 4.41Å; L126-M209 WeakPolarHBondContact CD1-O 3.44Å; L126-M209 HydrophobicContact CD2-CB 4.41Å; L126-M209 HydrophobicContact CD2-CE 3.83Å; L126-M209 HydrophobicContact CG-CB 4.05Å; L126-M209 HydrophobicContact CG-CE 3.83Å; L126-M209 HydrophobicContact CG-CG 4.11Å; L126-M209 WeakPolarHBondContact O-CG 3.41Å; L126-A212 HydrophobicContact CD1-CB 3.91Å; L126-L213 HydrophobicContact CD1-CD2 3.83Å; L126-L213 HydrophobicContact CD1-CG 3.72Å; L126-L213 HydrophobicContact CD2-CD1 3.7Å; L126-L213 HydrophobicContact CD2-CD2 3.74Å; L126-L213 HydrophobicContact CD2-CG 3.63Å; L126-L213 HydrophobicContact CG-CD2 4.36Å; L126-L213 HydrophobicContact CG-CG 4.33Å; L126-A317 HydrophobicContact CD2-CB 3.69Å; L126-I422 HydrophobicContact CD2-CD1 4.28Å
127V97.6Very high96.9Very high14 Ų1436.3 Ų36.39%0.08519%0.188CC..Hα-helixtrans-61.8-37.8175.7170.10000110.9S123 T124 G130 R131 M209 E321S123-V127 WeakPolarHBondContact O-CG2 3.14Å; S123-V127 PolarHBondContact O-N 3.47Å; T124-V127 PolarHBondContact O-N 3.39Å; V127-G130 CarbonylContact O-C 3.49Å; V127-G130 WeakPolarHBondContact O-CA 3.47Å; V127-G130 PolarHBondContact O-N 2.79Å; V127-R131 WeakPolarHBondContact O-CG 3.44Å; V127-R131 PolarHBondContact O-N 3.37Å; V127-M209 HydrophobicContact CG2-CE 3.83Å; V127-M209 HydrophobicContact CG2-SD 4.5Å; V127-E321 HydrophobicContact CG2-CB 4.12Å; V127-E321 HydrophobicContact CG2-CG 3.96Å
128N96.1Very high96.9Very high27 Ų2735.1 Ų35.114%0.14418%0.181CC..Hα-helixtrans-68-36.6176.1-71.6-23.5000113T124 D125 L126 G130 R131 G132 L133 Y134T124-N128 VanDerWaalsContact O-CG 3.3Å; T124-N128 PolarHBondContact O-N 2.99Å; T124-N128 PolarHBondContact O-ND2 3.34Å; D125-N128 PolarHBondContact O-N 3.17Å; L126-N128 VanDerWaalsContact C-N 3.27Å; L126-N128 PolarHBondContact O-N 3.03Å; N128-G130 VanDerWaalsContact C-N 3.32Å; N128-R131 PolarHBondContact O-N 3.28Å; N128-G132 PolarHBondContact O-N 3.44Å; N128-L133 HydrophobicContact CB-CB 4.47Å; N128-L133 HydrophobicContact CB-CD1 4.03Å; N128-L133 WeakPolarHBondContact O-CB 3.27Å; N128-L133 PolarHBondContact O-N 3.13Å; N128-Y134 HydrophobicContact CB-CD2 4Å; N128-Y134 HydrophobicContact CB-CE2 3.72Å
129L96.9Very high96.9Very high0 Ų036.2 Ų36.20%019%0.188CC..Hα-helixtrans-61.1-43.4169.3-79.2165.1000111.1I114 L121 D125 L126 R131 G132 I136 R208 A212 F237I114-L129 HydrophobicContact CG2-CD1 4.07Å; I114-L129 HydrophobicContact CG2-CD2 3.72Å; I114-L129 HydrophobicContact CG2-CG 4.21Å; L121-L129 HydrophobicContact CD1-CD1 4.02Å; D125-L129 WeakPolarHBondContact O-CG 3.22Å; D125-L129 PolarHBondContact O-N 3.12Å; L126-L129 WeakPolarHBondContact O-CB 3.44Å; L126-L129 PolarHBondContact O-N 3.07Å; L129-R131 VanDerWaalsContact C-N 3.34Å; L129-R131 PolarHBondContact O-N 2.71Å; L129-G132 PolarHBondContact O-N 3.28Å; L129-G132 VanDerWaalsContact O-N 3.08Å; L129-I136 HydrophobicContact CD2-CD1 4.19Å; L129-I136 HydrophobicContact CD2-CG1 3.79Å; L129-R208 PolarHBondContact O-NE 2.8Å; L129-R208 PolarHBondContact O-NH2 3.18Å; L129-R208 VanDerWaalsContact O-NH2 3.14Å; L129-A212 HydrophobicContact CB-CB 4.45Å; L129-A212 HydrophobicContact CD1-CB 3.99Å; L129-F237 HydrophobicContact CB-CZ 4.03Å; L129-F237 HydrophobicContact CD2-CE1 3.73Å; L129-F237 HydrophobicContact CD2-CZ 3.48Å; L129-F237 VanDerWaalsContact CD2-CZ 3.48Å; L129-F237 HydrophobicContact CG-CZ 4.33Å
130G95.3Very high97Very high1 Ų137 Ų371%0.0120%0.196CC..Hα-helixtrans-56.7-43.9172.600000112.8I103 L126 V127 N128 G132 E205I103-G130 VanDerWaalsContact CD1-O 3.32Å; I103-G130 WeakPolarHBondContact CD1-O 3.39Å; L126-G130 PolarHBondContact O-N 3.24Å; V127-G130 CarbonylContact O-C 3.49Å; V127-G130 WeakPolarHBondContact O-CA 3.47Å; V127-G130 PolarHBondContact O-N 2.79Å; N128-G130 VanDerWaalsContact C-N 3.32Å; G130-G132 PolarHBondContact O-N 3.04Å; G130-G132 VanDerWaalsContact O-N 3.17Å; G130-E205 WeakPolarHBondContact CA-O 3.28Å; G130-E205 VanDerWaalsContact O-CA 3.31Å; G130-E205 WeakPolarHBondContact O-CA 3.33Å; G130-E205 WeakPolarHBondContact O-CB 3.37Å; G130-E205 WeakPolarHBondContact O-CG 3.42Å
131R92.1Very high97Very high108 Ų10839.2 Ų39.241%0.40820%0.199SC..THydrogen-bonded Turntrans-70.2-4.3176.3-70.4170.6178.3172.2-2.4114.5V127 N128 L129 L133V127-R131 WeakPolarHBondContact O-CG 3.44Å; V127-R131 PolarHBondContact O-N 3.37Å; N128-R131 PolarHBondContact O-N 3.28Å; L129-R131 VanDerWaalsContact C-N 3.34Å; L129-R131 PolarHBondContact O-N 2.71Å; R131-L133 HydrophobicContact CB-CG 4.12Å
132G92.5Very high97Very high6 Ų639.1 Ų39.16%0.06220%0.199CC..THydrogen-bonded Turntrans76.623.2-18000000114.1P110 N128 L129 G130P110-G132 WeakPolarHBondContact CB-O 3.21Å; P110-G132 WeakPolarHBondContact CG-O 3.43Å; N128-G132 PolarHBondContact O-N 3.44Å; L129-G132 PolarHBondContact O-N 3.28Å; L129-G132 VanDerWaalsContact O-N 3.08Å; G130-G132 PolarHBondContact O-N 3.04Å; G130-G132 VanDerWaalsContact O-N 3.17Å
133L93.4Very high97Very high89 Ų8939.8 Ų39.847%0.46620%0.198SC..  trans-78.8-22.2-179.6-60-176000113.6P110 N128 R131P110-L133 WeakPolarHBondContact CB-O 3.43Å; N128-L133 HydrophobicContact CB-CB 4.47Å; N128-L133 HydrophobicContact CB-CD1 4.03Å; N128-L133 WeakPolarHBondContact O-CB 3.27Å; N128-L133 PolarHBondContact O-N 3.13Å; R131-L133 HydrophobicContact CB-CG 4.12Å
134Y96.6Very high97Very high57 Ų5746.2 Ų46.222%0.22423%0.226CC..  trans-132.9149.1-174.8-58.8-67.1000112.8E112 I114 N128 R208E112-Y134 HydrophobicContact CB-CD1 3.78Å; E112-Y134 HydrophobicContact CB-CE1 3.99Å; E112-Y134 WeakPolarHBondContact O-CA 3.5Å; E112-Y134 WeakPolarHBondContact OE2-CE1 3.38Å; I114-Y134 HydrophobicContact CB-CG 4.49Å; N128-Y134 HydrophobicContact CB-CD2 4Å; N128-Y134 HydrophobicContact CB-CE2 3.72Å; Y134-R208 PolarHBondContact O-NH2 3.22Å; Y134-R208 VanDerWaalsContact O-NH2 3.15Å
135K97.5Very high97Very high27 Ų2748.2 Ų48.212%0.11723%0.231CC..EExtended strand (participates in β ladder)trans-87.2159.2157.2-69.2-176.8171164.60110.2E109 P110 E112 Y113 I114 N238E109-K135 WeakPolarHBondContact OE1-CE 3.38Å; E109-K135 IonicContact OE1-NZ 2.85Å; E109-K135 PolarHBondContact OE1-NZ 3.18Å; P110-K135 HydrophobicContact CB-CG 4.38Å; P110-K135 HydrophobicContact CG-CG 3.92Å; P110-K135 WeakPolarHBondContact O-CD 3.26Å; P110-K135 WeakPolarHBondContact O-CE 3.37Å; P110-K135 PolarHBondContact O-NZ 2.98Å; E112-K135 PolarHBondContact O-N 2.93Å; Y113-K135 CarbonylContact C-O 3.56Å; Y113-K135 VanDerWaalsContact CA-O 3.31Å; Y113-K135 WeakPolarHBondContact CA-O 3.34Å; Y113-K135 HydrophobicContact CD1-CB 3.52Å; Y113-K135 HydrophobicContact CD2-CB 4.43Å; Y113-K135 HydrophobicContact CE1-CB 3.5Å; Y113-K135 VanDerWaalsContact CE1-CB 3.5Å; Y113-K135 HydrophobicContact CE1-CD 4Å; Y113-K135 HydrophobicContact CE1-CG 4.36Å; Y113-K135 HydrophobicContact CE2-CB 4.42Å; Y113-K135 HydrophobicContact CE2-CD 4.17Å; Y113-K135 HydrophobicContact CG-CB 4.01Å; I114-K135 PolarHBondContact N-O 3.11Å; K135-N238 VanDerWaalsContact CA-OD1 3.24Å; K135-N238 WeakPolarHBondContact CA-OD1 3.28Å; K135-N238 VanDerWaalsContact CB-OD1 3.29Å; K135-N238 WeakPolarHBondContact CB-OD1 3.48Å; K135-N238 HydrophobicContact CD-CB 4.39Å; K135-N238 HydrophobicContact CG-CB 4.26Å
136I98.4Very high97Very high1 Ų146.3 Ų46.31%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-102.4142.1174.3-71.7169.4000109.9I114 L116 L129 A212 I215 I234 F237 N238I114-I136 HydrophobicContact CG2-CG1 4.18Å; L116-I136 HydrophobicContact CD1-CB 4.48Å; L116-I136 HydrophobicContact CD1-CD1 3.77Å; L116-I136 HydrophobicContact CD1-CG1 4.01Å; L116-I136 HydrophobicContact CD1-CG2 3.63Å; L116-I136 HydrophobicContact CG-CG1 4.39Å; L116-I136 HydrophobicContact CG-CG2 3.88Å; L129-I136 HydrophobicContact CD2-CD1 4.19Å; L129-I136 HydrophobicContact CD2-CG1 3.79Å; I136-A212 HydrophobicContact CD1-CB 3.87Å; I136-I215 HydrophobicContact CD1-CD1 4.14Å; I136-I215 HydrophobicContact CG2-CG2 4.16Å; I136-I234 HydrophobicContact CB-CG2 4.32Å; I136-I234 HydrophobicContact CG2-CD1 4.29Å; I136-I234 HydrophobicContact CG2-CG1 3.97Å; I136-I234 HydrophobicContact CG2-CG2 4.14Å; I136-I234 VanDerWaalsContact O-CG2 3.25Å; I136-I234 WeakPolarHBondContact O-CG2 3.11Å; I136-F237 HydrophobicContact CB-CD1 4.04Å; I136-F237 HydrophobicContact CB-CE1 4.23Å; I136-F237 HydrophobicContact CD1-CD1 3.48Å; I136-F237 VanDerWaalsContact CD1-CD1 3.48Å; I136-F237 HydrophobicContact CD1-CD2 4.02Å; I136-F237 HydrophobicContact CD1-CE1 3.42Å; I136-F237 VanDerWaalsContact CD1-CE1 3.42Å; I136-F237 HydrophobicContact CD1-CE2 3.96Å; I136-F237 HydrophobicContact CD1-CG 3.8Å; I136-F237 HydrophobicContact CD1-CZ 3.67Å; I136-F237 HydrophobicContact CG1-CD1 3.74Å; I136-F237 HydrophobicContact CG1-CE1 3.51Å; I136-F237 HydrophobicContact CG1-CZ 4.12Å; I136-N238 PolarHBondContact N-OD1 3.14Å; I136-N238 PolarHBondContact O-ND2 2.8Å
137K98.3Very high97Very high99 Ų9949 Ų4943%0.4324%0.237SC..EExtended strand (participates in β ladder)trans-137.5161158.964.1-175.8-178.9-178.40109.6Y113 I114 S115 L116Y113-K137 HydrophobicContact CD1-CB 4.01Å; Y113-K137 HydrophobicContact CD1-CD 4.14Å; Y113-K137 HydrophobicContact CD1-CG 4.16Å; Y113-K137 HydrophobicContact CG-CD 4.21Å; I114-K137 PolarHBondContact O-N 3.13Å; S115-K137 CarbonylContact C-O 3.51Å; S115-K137 WeakPolarHBondContact CA-O 3.41Å; S115-K137 WeakPolarHBondContact OG-CE 3.46Å; L116-K137 PolarHBondContact N-O 2.58Å
138L98.5Very high97Very high13 Ų1351.6 Ų51.67%0.06825%0.248CC..EExtended strand (participates in β ladder)trans-87.7154.2174.1-62.3178.5000111L116 E143 I215 A219 L227 L230 I234L116-L138 HydrophobicContact CB-CD2 4.41Å; L138-E143 HydrophobicContact CB-CG 3.69Å; L138-E143 HydrophobicContact CD1-CG 3.86Å; L138-E143 HydrophobicContact CG-CG 4.42Å; L138-I215 HydrophobicContact CD2-CG2 4.49Å; L138-A219 HydrophobicContact CD2-CB 3.63Å; L138-L227 HydrophobicContact CD1-CD1 4.03Å; L138-L230 HydrophobicContact CD1-CD2 3.68Å; L138-L230 HydrophobicContact CD1-CG 4.14Å; L138-L230 HydrophobicContact CD2-CD2 4.4Å; L138-I234 HydrophobicContact CD1-CD1 3.95Å; L138-I234 HydrophobicContact CD2-CD1 3.85Å; L138-I234 HydrophobicContact CG-CD1 3.56Å
139T98.6Very high97.1Very high25 Ų2550.3 Ų50.315%0.15324%0.241CC..  trans-75.5150.7162.460.90000110.5L116 D117 E141 A142 E143L116-T139 PolarHBondContact O-N 3.08Å; L116-T139 VanDerWaalsContact O-N 3.11Å; D117-T139 HydrophobicContact CB-CG2 3.96Å; T139-E141 PolarHBondContact O-N 3.39Å; T139-A142 WeakPolarHBondContact O-CB 3.47Å; T139-A142 PolarHBondContact O-N 2.91Å; T139-A142 WeakPolarHBondContact OG1-CB 3.45Å; T139-A142 PolarHBondContact OG1-N 3.31Å; T139-E143 PolarHBondContact O-N 3.05Å
140P98.3Very high97.1Very high91 Ų9150.9 Ų50.959%0.59124%0.243SC*.Hα-helixtrans-54.8-34.9175.3-26.335.4000113.2E143 K144P140-E143 PolarHBondContact O-N 2.84Å; P140-K144 PolarHBondContact O-N 2.7Å
141E98Very high97.1Very high118 Ų11856.1 Ų56.155%0.55127%0.268SS*.Hα-helixtrans-67.6-40.1177.8-63.969.8-151.500111.8T139 K144 K145T139-E141 PolarHBondContact O-N 3.39Å; E141-K144 PolarHBondContact O-N 2.95Å; E141-K145 WeakPolarHBondContact O-CG 3.38Å; E141-K145 PolarHBondContact O-N 2.94Å
142A98.3Very high97.3Very high2 Ų252 Ų522%0.01725%0.253CS..Hα-helixtrans-65.4-44.4175.600000111.3T139 K144 K145 V146 A219T139-A142 WeakPolarHBondContact O-CB 3.47Å; T139-A142 PolarHBondContact O-N 2.91Å; T139-A142 WeakPolarHBondContact OG1-CB 3.45Å; T139-A142 PolarHBondContact OG1-N 3.31Å; A142-K144 VanDerWaalsContact C-N 3.31Å; A142-K144 PolarHBondContact O-N 2.54Å; A142-K145 PolarHBondContact O-N 3.45Å; A142-V146 VanDerWaalsContact O-CG2 3.31Å; A142-V146 WeakPolarHBondContact O-CG2 3.49Å; A142-V146 PolarHBondContact O-N 3.07Å; A142-A219 HydrophobicContact CB-CB 4.27Å; A142-A219 WeakPolarHBondContact CB-O 3.3Å
143E98.4Very high97.3Very high69 Ų6951.7 Ų51.732%0.32225%0.25SS..Hα-helixtrans-56.9-46.6175.5-67-172.8161.100111.4L138 T139 P140 K145 V146 V147 L227 Q231L138-E143 HydrophobicContact CB-CG 3.69Å; L138-E143 HydrophobicContact CD1-CG 3.86Å; L138-E143 HydrophobicContact CG-CG 4.42Å; T139-E143 PolarHBondContact O-N 3.05Å; P140-E143 PolarHBondContact O-N 2.84Å; E143-K145 PolarHBondContact O-N 3.43Å; E143-V146 PolarHBondContact O-N 3.03Å; E143-V147 WeakPolarHBondContact O-CG2 3.47Å; E143-V147 PolarHBondContact O-N 2.73Å; E143-L227 HydrophobicContact CB-CD1 4.43Å; E143-L227 HydrophobicContact CG-CD1 4.15Å; E143-Q231 PolarHBondContact OE1-NE2 2.82Å
144K98.2Very high97.3Very high134 Ų13451.1 Ų51.158%0.58325%0.248SC*.Hα-helixtrans-58.5-46.1176.9-174-179.3179.2-176.50112.1P140 E141 A142 V147 Q148P140-K144 PolarHBondContact O-N 2.7Å; E141-K144 PolarHBondContact O-N 2.95Å; A142-K144 VanDerWaalsContact C-N 3.31Å; A142-K144 PolarHBondContact O-N 2.54Å; K144-V147 PolarHBondContact O-N 2.78Å; K144-Q148 VanDerWaalsContact O-CG 3.29Å; K144-Q148 WeakPolarHBondContact O-CG 3.39Å; K144-Q148 PolarHBondContact O-N 3.17Å
145K98.1Very high97.1Very high91 Ų9151.4 Ų51.440%0.39626%0.256SS..Hα-helixtrans-63.8-41.6179.1-70.9173.7-178.9179.10112E141 A142 E143 Q148 S149E141-K145 WeakPolarHBondContact O-CG 3.38Å; E141-K145 PolarHBondContact O-N 2.94Å; A142-K145 PolarHBondContact O-N 3.45Å; E143-K145 PolarHBondContact O-N 3.43Å; K145-Q148 PolarHBondContact O-N 2.96Å; K145-S149 WeakPolarHBondContact O-CB 3.25Å; K145-S149 PolarHBondContact O-N 3.46Å
146V98.4Very high96.6Very high1 Ų150.3 Ų50.31%0.00625%0.251CS..Hα-helixtrans-60.6-47.3176.6170.60000110.7A142 E143 S149 R150 L218 I225 L227 L230A142-V146 VanDerWaalsContact O-CG2 3.31Å; A142-V146 WeakPolarHBondContact O-CG2 3.49Å; A142-V146 PolarHBondContact O-N 3.07Å; E143-V146 PolarHBondContact O-N 3.03Å; V146-S149 WeakPolarHBondContact O-CB 3.23Å; V146-S149 PolarHBondContact O-N 3.5Å; V146-R150 PolarHBondContact O-N 2.88Å; V146-L218 WeakPolarHBondContact CG2-O 3.18Å; V146-I225 HydrophobicContact CG1-CG2 3.95Å; V146-I225 WeakPolarHBondContact CG1-O 3.18Å; V146-L227 HydrophobicContact CG1-CB 4.42Å; V146-L230 HydrophobicContact CG1-CD2 4.29Å; V146-L230 HydrophobicContact CG2-CD2 3.86Å
147V98.4Very high96.1Very high55 Ų5551.3 Ų51.333%0.33326%0.257SS..Hα-helixtrans-60-49177.8171.10000111.3E143 K144 S149 R150 E151 L227E143-V147 WeakPolarHBondContact O-CG2 3.47Å; E143-V147 PolarHBondContact O-N 2.73Å; K144-V147 PolarHBondContact O-N 2.78Å; V147-S149 VanDerWaalsContact C-N 3.3Å; V147-S149 PolarHBondContact O-N 3.31Å; V147-R150 WeakPolarHBondContact O-CB 3.32Å; V147-R150 PolarHBondContact O-N 3.1Å; V147-R150 VanDerWaalsContact O-N 3.07Å; V147-E151 HydrophobicContact CG1-CG 4.39Å; V147-E151 WeakPolarHBondContact O-CG 3.3Å; V147-E151 PolarHBondContact O-N 3.34Å; V147-L227 HydrophobicContact CG2-CB 4.33Å; V147-L227 HydrophobicContact CG2-CD2 4.06Å
148Q97.6Very high95.7Very high69 Ų6955.3 Ų55.332%0.32228%0.275SS..Hα-helixtrans-59.4-40.3178.6-72.2174.9-31.400112.6K144 K145 R150 L152 A433K144-Q148 VanDerWaalsContact O-CG 3.29Å; K144-Q148 WeakPolarHBondContact O-CG 3.39Å; K144-Q148 PolarHBondContact O-N 3.17Å; K145-Q148 PolarHBondContact O-N 2.96Å; Q148-R150 VanDerWaalsContact C-N 3.33Å; Q148-R150 PolarHBondContact O-N 2.69Å; Q148-L152 PolarHBondContact O-N 2.68Å; Q148-A433 HydrophobicContact CB-CB 4.05Å
149S96.8Very high95.2Very high0 Ų060.1 Ų60.10%030%0.297CS..Hα-helixtrans-60.6-42.8174.9-153.50000111.9K145 V146 V147 L153 G221 G224 V431K145-S149 WeakPolarHBondContact O-CB 3.25Å; K145-S149 PolarHBondContact O-N 3.46Å; V146-S149 WeakPolarHBondContact O-CB 3.23Å; V146-S149 PolarHBondContact O-N 3.5Å; V147-S149 VanDerWaalsContact C-N 3.3Å; V147-S149 PolarHBondContact O-N 3.31Å; S149-L153 PolarHBondContact O-N 2.76Å; S149-G221 WeakPolarHBondContact CB-O 3.36Å; S149-G221 PolarHBondContact OG-O 3.44Å; S149-G224 WeakPolarHBondContact OG-CA 3.28Å; S149-G224 PolarHBondContact OG-N 3.41Å; S149-G224 VanDerWaalsContact OG-N 3.1Å; S149-V431 WeakPolarHBondContact OG-CB 3.29Å; S149-V431 WeakPolarHBondContact OG-CG1 3.24Å
150R97.2Very high94.4Very high12 Ų1264.2 Ų64.25%0.04532%0.318CS..Hα-helixtrans-68.7-42.3-179.4-173.359.6-98.7176.9-13.3112.3V146 V147 Q148 L152 L153 D154 G224 P299V146-R150 PolarHBondContact O-N 2.88Å; V147-R150 WeakPolarHBondContact O-CB 3.32Å; V147-R150 PolarHBondContact O-N 3.1Å; V147-R150 VanDerWaalsContact O-N 3.07Å; Q148-R150 VanDerWaalsContact C-N 3.33Å; Q148-R150 PolarHBondContact O-N 2.69Å; R150-L152 VanDerWaalsContact C-N 3.29Å; R150-L152 PolarHBondContact O-N 2.94Å; R150-L153 VanDerWaalsContact CZ-CB 3.42Å; R150-L153 PolarHBondContact O-N 3.09Å; R150-L153 VanDerWaalsContact O-N 3.09Å; R150-D154 IonicContact CZ-OD1 2.68Å; R150-D154 IonicContact NE-OD1 2.88Å; R150-D154 PolarHBondContact NE-OD1 2.88Å; R150-D154 IonicContact NE-OD2 3.38Å; R150-D154 IonicContact NH2-OD1 3.56Å; R150-D154 PolarHBondContact NH2-OD1 3.26Å; R150-D154 PolarHBondContact O-N 3.38Å; R150-G224 WeakPolarHBondContact CD-O 3.33Å; R150-G224 PolarHBondContact NH1-O 2.81Å; R150-P299 PolarHBondContact NH1-O 3.39Å
151E96.7Very high93.6Very high111 Ų11166.2 Ų66.252%0.51931%0.314SS..Hα-helixtrans-58.2-39.6178.1-73.5173.616800112.5V147 D154 T155V147-E151 HydrophobicContact CG1-CG 4.39Å; V147-E151 WeakPolarHBondContact O-CG 3.3Å; V147-E151 PolarHBondContact O-N 3.34Å; E151-D154 PolarHBondContact O-N 2.96Å; E151-T155 PolarHBondContact O-N 3.04Å; E151-T155 PolarHBondContact O-OG1 2.95Å
152L95.1Very high92.8Very high21 Ų2165.3 Ų65.311%0.1132%0.316CS..Hα-helixtrans-62.2-44.7174.7175.457.5000111.7Q148 R150 T155 I156 V431Q148-L152 PolarHBondContact O-N 2.68Å; R150-L152 VanDerWaalsContact C-N 3.29Å; R150-L152 PolarHBondContact O-N 2.94Å; L152-T155 WeakPolarHBondContact O-CB 3.39Å; L152-T155 PolarHBondContact O-N 3.05Å; L152-I156 HydrophobicContact CD1-CD1 4.18Å; L152-I156 HydrophobicContact CD1-CG1 4.41Å; L152-I156 HydrophobicContact CG-CD1 4.1Å; L152-I156 WeakPolarHBondContact O-CG1 3.44Å; L152-I156 PolarHBondContact O-N 3.03Å; L152-V431 HydrophobicContact CD2-CG1 3.81Å; L152-V431 HydrophobicContact CG-CG1 4.48Å
153L92.9Very high91.9Very high0 Ų066.2 Ų66.20%032%0.321CS..Hα-helixtrans-67.6-37.1178.9-67.4-165.3000112.7S149 R150 T155 I156 V157 I166 K300 V431 T438S149-L153 PolarHBondContact O-N 2.76Å; R150-L153 VanDerWaalsContact CZ-CB 3.42Å; R150-L153 PolarHBondContact O-N 3.09Å; R150-L153 VanDerWaalsContact O-N 3.09Å; L153-T155 VanDerWaalsContact C-N 3.26Å; L153-T155 PolarHBondContact O-N 2.89Å; L153-I156 HydrophobicContact CD2-CD1 4.08Å; L153-I156 PolarHBondContact O-N 3.47Å; L153-V157 WeakPolarHBondContact O-CG2 3.09Å; L153-V157 PolarHBondContact O-N 3.49Å; L153-I166 HydrophobicContact CD2-CD1 3.47Å; L153-I166 VanDerWaalsContact CD2-CD1 3.47Å; L153-I166 HydrophobicContact CD2-CG1 4.15Å; L153-K300 HydrophobicContact CD1-CB 3.89Å; L153-K300 HydrophobicContact CD1-CD 3.37Å; L153-K300 HydrophobicContact CD1-CG 4.27Å; L153-K300 HydrophobicContact CD2-CD 4.46Å; L153-V431 HydrophobicContact CD1-CG2 4.4Å; L153-V431 HydrophobicContact CD2-CG2 4.11Å; L153-V431 HydrophobicContact CG-CG2 4.37Å; L153-T438 HydrophobicContact CD2-CG2 3.92Å
154D92.6Very high90.9Very high77 Ų7765.5 Ų65.541%0.41232%0.316SS..Hα-helixtrans-64.1-36.4175.6-67.5-16.8000111.1R150 E151 K158R150-D154 IonicContact CZ-OD1 2.68Å; R150-D154 IonicContact NE-OD1 2.88Å; R150-D154 PolarHBondContact NE-OD1 2.88Å; R150-D154 IonicContact NE-OD2 3.38Å; R150-D154 IonicContact NH2-OD1 3.56Å; R150-D154 PolarHBondContact NH2-OD1 3.26Å; R150-D154 PolarHBondContact O-N 3.38Å; E151-D154 PolarHBondContact O-N 2.96Å; D154-K158 VanDerWaalsContact O-CB 3.28Å; D154-K158 WeakPolarHBondContact O-CB 3.16Å; D154-K158 PolarHBondContact O-N 3.3Å
155T92Very high89.7Confident64 Ų6459.1 Ų59.139%0.39329%0.288SS..Hα-helixtrans-64.8-47.7173.2-57.70000111.4E151 L152 L153 V157 K158 E159E151-T155 PolarHBondContact O-N 3.04Å; E151-T155 PolarHBondContact O-OG1 2.95Å; L152-T155 WeakPolarHBondContact O-CB 3.39Å; L152-T155 PolarHBondContact O-N 3.05Å; L153-T155 VanDerWaalsContact C-N 3.26Å; L153-T155 PolarHBondContact O-N 2.89Å; T155-V157 VanDerWaalsContact C-N 3.32Å; T155-V157 PolarHBondContact O-N 2.67Å; T155-K158 PolarHBondContact O-N 3.3Å; T155-E159 HydrophobicContact CG2-CG 4.45Å; T155-E159 WeakPolarHBondContact O-CB 3.33Å; T155-E159 WeakPolarHBondContact O-CG 3.4Å; T155-E159 PolarHBondContact O-N 3.34Å
156I88Confident88.9Confident4 Ų454.8 Ų54.82%0.02127%0.269CS..Hα-helixtrans-56.3-45176.9-75.2167.7000111.8L152 L153 E159 N160 R161 V163 I166 T438L152-I156 HydrophobicContact CD1-CD1 4.18Å; L152-I156 HydrophobicContact CD1-CG1 4.41Å; L152-I156 HydrophobicContact CG-CD1 4.1Å; L152-I156 WeakPolarHBondContact O-CG1 3.44Å; L152-I156 PolarHBondContact O-N 3.03Å; L153-I156 HydrophobicContact CD2-CD1 4.08Å; L153-I156 PolarHBondContact O-N 3.47Å; I156-E159 PolarHBondContact O-N 3.19Å; I156-N160 PolarHBondContact O-N 3.43Å; I156-R161 HydrophobicContact CG2-CB 4.21Å; I156-R161 PolarHBondContact O-N 3.04Å; I156-R161 VanDerWaalsContact O-N 3.13Å; I156-V163 HydrophobicContact CG2-CB 4.19Å; I156-V163 HydrophobicContact CG2-CG2 3.55Å; I156-I166 HydrophobicContact CG2-CG2 4.21Å; I156-T438 HydrophobicContact CD1-CG2 3.88Å
157V87.6Confident88.1Confident21 Ų2155 Ų5513%0.12727%0.271CS..Hα-helixtrans-67.6-44178.8173.50000110.8L153 T155 E159 N160 I166 V180 L183 P299L153-V157 WeakPolarHBondContact O-CG2 3.09Å; L153-V157 PolarHBondContact O-N 3.49Å; T155-V157 VanDerWaalsContact C-N 3.32Å; T155-V157 PolarHBondContact O-N 2.67Å; V157-E159 VanDerWaalsContact C-N 3.26Å; V157-E159 PolarHBondContact O-N 3.03Å; V157-N160 PolarHBondContact O-N 3.28Å; V157-N160 VanDerWaalsContact O-N 3.08Å; V157-I166 HydrophobicContact CG2-CG2 3.67Å; V157-V180 HydrophobicContact CG1-CG1 4.33Å; V157-L183 HydrophobicContact CG1-CD1 4.12Å; V157-P299 HydrophobicContact CG2-CB 4.01Å; V157-P299 HydrophobicContact CG2-CG 4.18Å
158K89.3Confident87.4Confident183 Ų18352.6 Ų52.680%0.79626%0.256SS*.Hα-helixtrans-60.7-35.9177.6-175.7-180177.5-176.30112.3D154 T155 N160D154-K158 VanDerWaalsContact O-CB 3.28Å; D154-K158 WeakPolarHBondContact O-CB 3.16Å; D154-K158 PolarHBondContact O-N 3.3Å; T155-K158 PolarHBondContact O-N 3.3Å; K158-N160 VanDerWaalsContact C-N 3.29Å; K158-N160 PolarHBondContact O-N 2.72Å
159E89.1Confident86.5Confident114 Ų11449.5 Ų49.553%0.53324%0.243SC..THydrogen-bonded Turntrans-82.90.1177.9-68.5178.517500113.7T155 I156 V157 R161T155-E159 HydrophobicContact CG2-CG 4.45Å; T155-E159 WeakPolarHBondContact O-CB 3.33Å; T155-E159 WeakPolarHBondContact O-CG 3.4Å; T155-E159 PolarHBondContact O-N 3.34Å; I156-E159 PolarHBondContact O-N 3.19Å; V157-E159 VanDerWaalsContact C-N 3.26Å; V157-E159 PolarHBondContact O-N 3.03Å; E159-R161 HydrophobicContact CB-CG 3.9Å; E159-R161 PolarHBondContact O-N 3.42Å; E159-R161 VanDerWaalsContact OE2-CD 3.28Å; E159-R161 WeakPolarHBondContact OE2-CD 3.24Å
160N81.8Confident85.8Confident112 Ų11250.8 Ų50.860%0.59925%0.249SC*.THydrogen-bonded Turntrans52.534.4-175.9-65.6-59.8000113.8I156 V157 K158 V180I156-N160 PolarHBondContact O-N 3.43Å; V157-N160 PolarHBondContact O-N 3.28Å; V157-N160 VanDerWaalsContact O-N 3.08Å; K158-N160 VanDerWaalsContact C-N 3.29Å; K158-N160 PolarHBondContact O-N 2.72Å; N160-V180 VanDerWaalsContact OD1-CG2 3.31Å; N160-V180 WeakPolarHBondContact OD1-CG2 3.42Å
161R82.1Confident84.9Confident133 Ų13351.7 Ų51.750%0.50226%0.261SS..  trans-72.9141177.4-63.3-179.875-174.93.2110.1I156 E159 V163 T167I156-R161 HydrophobicContact CG2-CB 4.21Å; I156-R161 PolarHBondContact O-N 3.04Å; I156-R161 VanDerWaalsContact O-N 3.13Å; E159-R161 HydrophobicContact CB-CG 3.9Å; E159-R161 PolarHBondContact O-N 3.42Å; E159-R161 VanDerWaalsContact OE2-CD 3.28Å; E159-R161 WeakPolarHBondContact OE2-CD 3.24Å; R161-V163 HydrophobicContact CB-CG2 4.25Å; R161-V163 PolarHBondContact O-N 3.3Å; R161-T167 WeakPolarHBondContact O-CG2 3.23Å; R161-T167 PolarHBondContact O-OG1 2.7Å
162V80.1Confident83.8Confident99 Ų9953.1 Ų53.160%0.627%0.266SS*.  trans-82108179.1-178.10000109.2T167 T168 V177V162-T167 WeakPolarHBondContact CA-OG1 3.34Å; V162-T168 HydrophobicContact CG1-CG2 3.54Å; V162-V177 HydrophobicContact CG1-CG2 4.19Å; V162-V177 HydrophobicContact CG2-CG2 4.23Å
163V78.6Confident83Confident21 Ų2159 Ų5913%0.12729%0.291CS..  trans-138.9133.4-176.5-168.90000110.7I156 R161 G165 I166 T167 T438I156-V163 HydrophobicContact CG2-CB 4.19Å; I156-V163 HydrophobicContact CG2-CG2 3.55Å; R161-V163 HydrophobicContact CB-CG2 4.25Å; R161-V163 PolarHBondContact O-N 3.3Å; V163-G165 PolarHBondContact O-N 3.34Å; V163-I166 HydrophobicContact CB-CB 4.31Å; V163-I166 HydrophobicContact CB-CD1 3.96Å; V163-I166 HydrophobicContact CG1-CD1 3.49Å; V163-I166 VanDerWaalsContact CG1-CD1 3.49Å; V163-I166 PolarHBondContact O-N 3.14Å; V163-T167 PolarHBondContact N-OG1 2.88Å; V163-T167 PolarHBondContact O-N 3.16Å; V163-T438 HydrophobicContact CG1-CG2 4.49Å; V163-T438 WeakPolarHBondContact CG1-OG1 3.29Å
164Y78.2Confident82.2Confident53 Ų5360.5 Ų60.521%0.20830%0.304CS..THydrogen-bonded Turntrans-52.6129.8-176.9176.7-107.9000112.9I166 T168 G171 A174 P429Y164-I166 PolarHBondContact O-N 2.94Å; Y164-T168 WeakPolarHBondContact CA-OG1 3.13Å; Y164-G171 PolarHBondContact OH-N 3.31Å; Y164-A174 HydrophobicContact CD2-CB 3.68Å; Y164-A174 HydrophobicContact CE2-CB 3.71Å; Y164-P429 HydrophobicContact CD1-CG 4.34Å; Y164-P429 WeakPolarHBondContact O-CG 3.14Å
165G73.8Confident81.5Confident0 Ų068.3 Ų68.30%033%0.327CS..THydrogen-bonded Turntrans66.9-0.417700000115.6V163 F170V163-G165 PolarHBondContact O-N 3.34Å; G165-F170 VanDerWaalsContact CA-CE1 3.5Å
166I80.5Confident81Confident0 Ų068.7 Ų68.70%033%0.329CS..THydrogen-bonded Turntrans-107.5-54.6175.7-63.4149.8000109.9L153 I156 V157 V163 Y164 L183 P299 K300 P429 T438L153-I166 HydrophobicContact CD2-CD1 3.47Å; L153-I166 VanDerWaalsContact CD2-CD1 3.47Å; L153-I166 HydrophobicContact CD2-CG1 4.15Å; I156-I166 HydrophobicContact CG2-CG2 4.21Å; V157-I166 HydrophobicContact CG2-CG2 3.67Å; V163-I166 HydrophobicContact CB-CB 4.31Å; V163-I166 HydrophobicContact CB-CD1 3.96Å; V163-I166 HydrophobicContact CG1-CD1 3.49Å; V163-I166 VanDerWaalsContact CG1-CD1 3.49Å; V163-I166 PolarHBondContact O-N 3.14Å; Y164-I166 PolarHBondContact O-N 2.94Å; I166-L183 VanDerWaalsContact O-CD2 3.31Å; I166-L183 WeakPolarHBondContact O-CD2 3.43Å; I166-P299 HydrophobicContact CG2-CB 4.45Å; I166-K300 HydrophobicContact CD1-CD 4.26Å; I166-K300 HydrophobicContact CG1-CB 3.81Å; I166-K300 HydrophobicContact CG1-CD 3.96Å; I166-K300 HydrophobicContact CG1-CG 3.91Å; I166-P429 HydrophobicContact CD1-CG 4.48Å; I166-T438 HydrophobicContact CD1-CG2 4.22Å
167T82.3Confident80.9Confident6 Ų672.8 Ų72.84%0.03735%0.354CS..THydrogen-bonded Turntrans-120.44.4178.353.80000113.3R161 V162 V163 I178 L183R161-T167 WeakPolarHBondContact O-CG2 3.23Å; R161-T167 PolarHBondContact O-OG1 2.7Å; V162-T167 WeakPolarHBondContact CA-OG1 3.34Å; V163-T167 PolarHBondContact N-OG1 2.88Å; V163-T167 PolarHBondContact O-N 3.16Å; T167-I178 PolarHBondContact O-N 3.07Å; T167-L183 HydrophobicContact CG2-CD1 4.46Å
168T82.6Confident80.9Confident4 Ų473.4 Ų73.43%0.02536%0.357CS..BIsolated β-bridgetrans-124.6170.3174.772.80000112.5V162 Y164 A174 T176V162-T168 HydrophobicContact CG1-CG2 3.54Å; Y164-T168 WeakPolarHBondContact CA-OG1 3.13Å; T168-A174 VanDerWaalsContact CB-O 3.22Å; T168-A174 WeakPolarHBondContact CB-O 3.47Å; T168-A174 PolarHBondContact OG1-O 3.24Å; T168-T176 CarbonylContact C-O 3.49Å; T168-T176 WeakPolarHBondContact CA-O 2.93Å; T168-T176 VanDerWaalsContact CB-O 3.3Å; T168-T176 WeakPolarHBondContact CB-O 3.29Å
169G79Confident80.8Confident5 Ų568.8 Ų68.85%0.05235%0.346CS..  trans-68.7-176.2171.700000114.2F173 A174 T176G169-F173 WeakPolarHBondContact CA-O 3.33Å; G169-A174 WeakPolarHBondContact O-CA 3.29Å; G169-T176 PolarHBondContact N-O 3.13Å
170F81.4Confident80.6Confident27 Ų2767 Ų6712%0.11834%0.342CS..SBendtrans-111.8154.7-174.8-53.6-78.8000112.5G165 K172 F173 L186 L190 I303G165-F170 VanDerWaalsContact CA-CE1 3.5Å; F170-K172 PolarHBondContact O-N 3.08Å; F170-F173 PolarHBondContact O-N 3.29Å; F170-L186 HydrophobicContact CD2-CD1 4.25Å; F170-L186 HydrophobicContact CE2-CD1 3.71Å; F170-L186 HydrophobicContact CE2-CD2 4.17Å; F170-L186 HydrophobicContact CE2-CG 3.71Å; F170-L186 HydrophobicContact CZ-CD2 4.31Å; F170-L186 HydrophobicContact CZ-CG 4.21Å; F170-L190 HydrophobicContact CB-CD1 4.38Å; F170-L190 HydrophobicContact CD1-CD2 4.27Å; F170-L190 HydrophobicContact CD2-CB 4.33Å; F170-L190 HydrophobicContact CD2-CD1 3.61Å; F170-L190 HydrophobicContact CD2-CD2 4.15Å; F170-L190 HydrophobicContact CD2-CG 4.24Å; F170-L190 HydrophobicContact CE1-CD2 3.9Å; F170-L190 HydrophobicContact CE2-CB 3.87Å; F170-L190 HydrophobicContact CE2-CD1 3.95Å; F170-L190 HydrophobicContact CE2-CD2 3.74Å; F170-L190 HydrophobicContact CE2-CG 4.06Å; F170-L190 HydrophobicContact CG-CD1 3.93Å; F170-L190 HydrophobicContact CG-CD2 4.39Å; F170-L190 HydrophobicContact CZ-CB 4.46Å; F170-L190 HydrophobicContact CZ-CD2 3.62Å; F170-L190 HydrophobicContact CZ-CG 4.43Å; F170-I303 HydrophobicContact CD1-CB 4.25Å; F170-I303 HydrophobicContact CD1-CD1 4.19Å; F170-I303 HydrophobicContact CD1-CG1 4.24Å; F170-I303 HydrophobicContact CE1-CB 3.62Å; F170-I303 HydrophobicContact CE1-CD1 4.41Å; F170-I303 HydrophobicContact CE1-CG1 4.11Å; F170-I303 HydrophobicContact CE1-CG2 3.89Å; F170-I303 HydrophobicContact CZ-CB 4.34Å
171G79.6Confident80.9Confident30 Ų3065.3 Ų65.331%0.30935%0.351SS..G310 helixtrans53.1-123.6177.600000112.4Y164 F173 A174Y164-G171 PolarHBondContact OH-N 3.31Å; G171-F173 PolarHBondContact O-N 2.81Å; G171-F173 VanDerWaalsContact O-N 3.09Å; G171-A174 WeakPolarHBondContact O-CB 3.36Å; G171-A174 PolarHBondContact O-N 2.97Å
172K72.6Confident81.4Confident142 Ų14263.8 Ų63.862%0.61735%0.348SS*.G310 helixtrans-59.5-22.1178.3-171.3156.8-176.9166.90114F170 A526F170-K172 PolarHBondContact O-N 3.08Å; K172-A526 HydrophobicContact CD-CB 3.91Å
173F79.2Confident81.8Confident143 Ų14359.2 Ų59.263%0.62732%0.32SS*.G310 helixtrans-92.613.3177.7-56.4-66.9000113.7G169 F170 G171 R175 T176G169-F173 WeakPolarHBondContact CA-O 3.33Å; F170-F173 PolarHBondContact O-N 3.29Å; G171-F173 PolarHBondContact O-N 2.81Å; G171-F173 VanDerWaalsContact O-N 3.09Å; F173-R175 PolarHBondContact O-N 3.03Å; F173-T176 WeakPolarHBondContact O-CB 3.36Å; F173-T176 PolarHBondContact O-N 2.87Å
174A76.3Confident82.5Confident33 Ų3362.9 Ų62.927%0.27334%0.335SS..THydrogen-bonded Turntrans-54.9-23.1179.900000114.9Y164 T168 G169 G171Y164-A174 HydrophobicContact CD2-CB 3.68Å; Y164-A174 HydrophobicContact CE2-CB 3.71Å; T168-A174 VanDerWaalsContact CB-O 3.22Å; T168-A174 WeakPolarHBondContact CB-O 3.47Å; T168-A174 PolarHBondContact OG1-O 3.24Å; G169-A174 WeakPolarHBondContact O-CA 3.29Å; G171-A174 WeakPolarHBondContact O-CB 3.36Å; G171-A174 PolarHBondContact O-N 2.97Å
175R77.4Confident83.2Confident241 Ų24164.3 Ų64.391%0.90934%0.343SS*.THydrogen-bonded Turntrans-89.6-5.1179.5-61.6-176.6-177.2-177.71.3114.1F173F173-R175 PolarHBondContact O-N 3.03Å
176T81.3Confident84.1Confident71 Ų7165.7 Ų65.744%0.43635%0.351SS..  trans-88.4114.4-179.5-58.50000109.8T168 G169 F173 I178T168-T176 CarbonylContact C-O 3.49Å; T168-T176 WeakPolarHBondContact CA-O 2.93Å; T168-T176 VanDerWaalsContact CB-O 3.3Å; T168-T176 WeakPolarHBondContact CB-O 3.29Å; G169-T176 PolarHBondContact N-O 3.13Å; F173-T176 WeakPolarHBondContact O-CB 3.36Å; F173-T176 PolarHBondContact O-N 2.87Å; T176-I178 HydrophobicContact CG2-CD1 4.11Å
177V85.4Confident84.8Confident90 Ų9065.7 Ų65.755%0.54535%0.351SS..BIsolated β-bridgetrans-75.4133.4176-177.80000110V162V162-V177 HydrophobicContact CG1-CG2 4.19Å; V162-V177 HydrophobicContact CG2-CG2 4.23Å
178I88.1Confident85.5Confident34 Ų3467.2 Ų67.217%0.17436%0.357CS..  trans-108131.6-176.9-55.2-60.8000109.7T167 T176 K182 L183 L186T167-I178 PolarHBondContact O-N 3.07Å; T176-I178 HydrophobicContact CG2-CD1 4.11Å; I178-K182 HydrophobicContact CG2-CB 3.78Å; I178-L183 HydrophobicContact CB-CD2 3.96Å; I178-L183 HydrophobicContact CG2-CD2 3.87Å; I178-L186 HydrophobicContact CB-CD2 4.3Å; I178-L186 HydrophobicContact CG1-CD1 4.38Å; I178-L186 HydrophobicContact CG1-CD2 3.96Å; I178-L186 HydrophobicContact CG2-CD2 4.25Å
179P87.3Confident86.1Confident87 Ų8770.4 Ų70.457%0.56537%0.374SS*.  trans-58.9142.8175-24.133.9000112.2G181 K182 L183P179-G181 PolarHBondContact O-N 2.9Å; P179-G181 VanDerWaalsContact O-N 3.14Å; P179-K182 WeakPolarHBondContact O-CA 3.49Å; P179-K182 WeakPolarHBondContact O-CB 3.23Å; P179-K182 PolarHBondContact O-N 2.81Å; P179-L183 PolarHBondContact O-N 3.37Å
180V84.9Confident86.9Confident75 Ų7570.5 Ų70.546%0.45537%0.373SS..G310 helixtrans-52.7-41-178.6177.40000112.4V157 N160 K182 L183V157-V180 HydrophobicContact CG1-CG1 4.33Å; N160-V180 VanDerWaalsContact OD1-CG2 3.31Å; N160-V180 WeakPolarHBondContact OD1-CG2 3.42Å; V180-K182 PolarHBondContact O-N 3.36Å; V180-K182 VanDerWaalsContact O-N 3.13Å; V180-L183 HydrophobicContact CB-CD1 4.5Å; V180-L183 HydrophobicContact CG1-CD1 4.39Å; V180-L183 WeakPolarHBondContact O-CG 3.19Å; V180-L183 PolarHBondContact O-N 2.97Å
181G88.4Confident87.7Confident77 Ų7769.2 Ų69.279%0.79437%0.368SS*.G310 helixtrans-65.6-12.3177.900000115.2P179P179-G181 PolarHBondContact O-N 2.9Å; P179-G181 VanDerWaalsContact O-N 3.14Å
182K91.9Very high88.6Confident101 Ų10172.3 Ų72.344%0.43937%0.37SS..G310 helixtrans-104.5-3.5178.7-71.2-71.5-174.5173.40113.2I178 P179 V180 K184 E185 L186I178-K182 HydrophobicContact CG2-CB 3.78Å; P179-K182 WeakPolarHBondContact O-CA 3.49Å; P179-K182 WeakPolarHBondContact O-CB 3.23Å; P179-K182 PolarHBondContact O-N 2.81Å; V180-K182 PolarHBondContact O-N 3.36Å; V180-K182 VanDerWaalsContact O-N 3.13Å; K182-K184 VanDerWaalsContact C-N 3.33Å; K182-K184 PolarHBondContact O-N 3.14Å; K182-E185 WeakPolarHBondContact CD-OE2 3.04Å; K182-E185 WeakPolarHBondContact CE-OE2 3.45Å; K182-E185 IonicContact NZ-OE1 3.44Å; K182-E185 PolarHBondContact NZ-OE1 3.3Å; K182-E185 IonicContact NZ-OE2 2.65Å; K182-E185 PolarHBondContact NZ-OE2 2.88Å; K182-E185 PolarHBondContact O-N 3.27Å; K182-L186 WeakPolarHBondContact O-CB 2.97Å; K182-L186 PolarHBondContact O-N 3.33Å
183L89.3Confident89.8Confident3 Ų369.3 Ų69.32%0.01637%0.367CS..Hα-helixtrans-65.2-34.3-174.2-64.1180000113.4V157 I166 T167 I178 P179 V180 L186 Q187 P299V157-L183 HydrophobicContact CG1-CD1 4.12Å; I166-L183 VanDerWaalsContact O-CD2 3.31Å; I166-L183 WeakPolarHBondContact O-CD2 3.43Å; T167-L183 HydrophobicContact CG2-CD1 4.46Å; I178-L183 HydrophobicContact CB-CD2 3.96Å; I178-L183 HydrophobicContact CG2-CD2 3.87Å; P179-L183 PolarHBondContact O-N 3.37Å; V180-L183 HydrophobicContact CB-CD1 4.5Å; V180-L183 HydrophobicContact CG1-CD1 4.39Å; V180-L183 WeakPolarHBondContact O-CG 3.19Å; V180-L183 PolarHBondContact O-N 2.97Å; L183-L186 HydrophobicContact CD2-CD2 4.27Å; L183-L186 WeakPolarHBondContact O-CB 3.23Å; L183-Q187 WeakPolarHBondContact O-CG 3.34Å; L183-Q187 PolarHBondContact O-N 3.42Å; L183-P299 HydrophobicContact CB-CB 4.44Å; L183-P299 HydrophobicContact CB-CG 3.97Å; L183-P299 HydrophobicContact CD1-CB 4.22Å; L183-P299 HydrophobicContact CD1-CG 3.87Å
184K92.7Very high90.6Very high99 Ų9965.4 Ų65.443%0.4335%0.35SS..Hα-helixtrans-64.2-53.1173.7176172.5171.1171.60111.2K182 L186 Q187 E188 S296K182-K184 VanDerWaalsContact C-N 3.33Å; K182-K184 PolarHBondContact O-N 3.14Å; K184-L186 PolarHBondContact O-N 2.89Å; K184-Q187 PolarHBondContact O-N 3.4Å; K184-E188 WeakPolarHBondContact CE-OE1 3.48Å; K184-E188 IonicContact NZ-OE1 3.74Å; K184-E188 PolarHBondContact O-N 3.37Å; K184-E188 VanDerWaalsContact O-N 3.09Å; K184-S296 WeakPolarHBondContact CE-OG 3.44Å; K184-S296 PolarHBondContact NZ-OG 3.16Å
185E94.1Very high91.6Very high82 Ų8264.9 Ų64.938%0.38335%0.345SS..Hα-helixtrans-57.3-37.5178-174.6-176.6155.300111.6K182 Q187 E188 N189K182-E185 WeakPolarHBondContact CD-OE2 3.04Å; K182-E185 WeakPolarHBondContact CE-OE2 3.45Å; K182-E185 IonicContact NZ-OE1 3.44Å; K182-E185 PolarHBondContact NZ-OE1 3.3Å; K182-E185 IonicContact NZ-OE2 2.65Å; K182-E185 PolarHBondContact NZ-OE2 2.88Å; K182-E185 PolarHBondContact O-N 3.27Å; E185-Q187 PolarHBondContact O-N 2.83Å; E185-E188 PolarHBondContact O-N 3.38Å; E185-N189 VanDerWaalsContact O-CB 3.24Å; E185-N189 WeakPolarHBondContact O-CB 3.22Å; E185-N189 PolarHBondContact O-N 3.03Å; E185-N189 PolarHBondContact O-ND2 3.39Å
186L91.9Very high92.6Very high30 Ų3056.8 Ų56.816%0.15733%0.33CS..Hα-helixtrans-57.4-46.2173.8175.870.2000112.3F170 I178 K182 L183 K184 L190F170-L186 HydrophobicContact CD2-CD1 4.25Å; F170-L186 HydrophobicContact CE2-CD1 3.71Å; F170-L186 HydrophobicContact CE2-CD2 4.17Å; F170-L186 HydrophobicContact CE2-CG 3.71Å; F170-L186 HydrophobicContact CZ-CD2 4.31Å; F170-L186 HydrophobicContact CZ-CG 4.21Å; I178-L186 HydrophobicContact CB-CD2 4.3Å; I178-L186 HydrophobicContact CG1-CD1 4.38Å; I178-L186 HydrophobicContact CG1-CD2 3.96Å; I178-L186 HydrophobicContact CG2-CD2 4.25Å; K182-L186 WeakPolarHBondContact O-CB 2.97Å; K182-L186 PolarHBondContact O-N 3.33Å; L183-L186 HydrophobicContact CD2-CD2 4.27Å; L183-L186 WeakPolarHBondContact O-CB 3.23Å; K184-L186 PolarHBondContact O-N 2.89Å; L186-L190 WeakPolarHBondContact O-CB 3.48Å; L186-L190 PolarHBondContact O-N 3.1Å
187Q94.7Very high93.3Very high0 Ų053.9 Ų53.90%031%0.314CS..Hα-helixtrans-69.3-41.9180-57.8-48.9-60.300111.9L183 K184 E185 L190 V191 L297 K298L183-Q187 WeakPolarHBondContact O-CG 3.34Å; L183-Q187 PolarHBondContact O-N 3.42Å; K184-Q187 PolarHBondContact O-N 3.4Å; E185-Q187 PolarHBondContact O-N 2.83Å; Q187-L190 WeakPolarHBondContact O-CB 3.41Å; Q187-L190 PolarHBondContact O-N 2.99Å; Q187-V191 PolarHBondContact O-N 3.31Å; Q187-V191 VanDerWaalsContact O-N 3.16Å; Q187-L297 HydrophobicContact CB-CB 3.85Å; Q187-L297 HydrophobicContact CB-CD1 3.85Å; Q187-L297 HydrophobicContact CG-CB 4.48Å; Q187-K298 WeakPolarHBondContact CG-O 3.42Å
188E96.4Very high93.7Very high37 Ų3755.7 Ų55.717%0.17332%0.32CS..Hα-helixtrans-65.7-43.6178.3-64.5-179.8-175.600111.7K184 E185 L190 V191 R192 M268K184-E188 WeakPolarHBondContact CE-OE1 3.48Å; K184-E188 IonicContact NZ-OE1 3.74Å; K184-E188 PolarHBondContact O-N 3.37Å; K184-E188 VanDerWaalsContact O-N 3.09Å; E185-E188 PolarHBondContact O-N 3.38Å; E188-L190 VanDerWaalsContact C-N 3.28Å; E188-L190 PolarHBondContact O-N 2.92Å; E188-V191 PolarHBondContact O-N 3.31Å; E188-R192 WeakPolarHBondContact O-CG 3.32Å; E188-R192 PolarHBondContact O-N 3.16Å; E188-R192 IonicContact OE2-CZ 3.64Å; E188-R192 IonicContact OE2-NH1 3.27Å; E188-R192 PolarHBondContact OE2-NH1 3.16Å; E188-R192 IonicContact OE2-NH2 3.11Å; E188-R192 PolarHBondContact OE2-NH2 3.08Å; E188-R192 VanDerWaalsContact OE2-NH2 3.11Å; E188-M268 HydrophobicContact CB-CE 3.9Å; E188-M268 HydrophobicContact CG-CE 3.89Å
189N96.7Very high93.8Very high72 Ų7256 Ų5639%0.38533%0.331SS..Hα-helixtrans-65.2-33.6176.9-72.6-10.7000111.9E185 S193E185-N189 VanDerWaalsContact O-CB 3.24Å; E185-N189 WeakPolarHBondContact O-CB 3.22Å; E185-N189 PolarHBondContact O-N 3.03Å; E185-N189 PolarHBondContact O-ND2 3.39Å; N189-S193 VanDerWaalsContact O-CB 3.24Å; N189-S193 WeakPolarHBondContact O-CB 3.44Å; N189-S193 PolarHBondContact O-N 3.3Å; N189-S193 PolarHBondContact O-OG 3.25Å
190L95.6Very high93.8Very high7 Ų756.2 Ų56.24%0.03733%0.328CS..Hα-helixtrans-59.3-53.7172.2177.272.4000110.4F170 L186 Q187 E188 R192 S193 H194 I303 I306F170-L190 HydrophobicContact CB-CD1 4.38Å; F170-L190 HydrophobicContact CD1-CD2 4.27Å; F170-L190 HydrophobicContact CD2-CB 4.33Å; F170-L190 HydrophobicContact CD2-CD1 3.61Å; F170-L190 HydrophobicContact CD2-CD2 4.15Å; F170-L190 HydrophobicContact CD2-CG 4.24Å; F170-L190 HydrophobicContact CE1-CD2 3.9Å; F170-L190 HydrophobicContact CE2-CB 3.87Å; F170-L190 HydrophobicContact CE2-CD1 3.95Å; F170-L190 HydrophobicContact CE2-CD2 3.74Å; F170-L190 HydrophobicContact CE2-CG 4.06Å; F170-L190 HydrophobicContact CG-CD1 3.93Å; F170-L190 HydrophobicContact CG-CD2 4.39Å; F170-L190 HydrophobicContact CZ-CB 4.46Å; F170-L190 HydrophobicContact CZ-CD2 3.62Å; F170-L190 HydrophobicContact CZ-CG 4.43Å; L186-L190 WeakPolarHBondContact O-CB 3.48Å; L186-L190 PolarHBondContact O-N 3.1Å; Q187-L190 WeakPolarHBondContact O-CB 3.41Å; Q187-L190 PolarHBondContact O-N 2.99Å; E188-L190 VanDerWaalsContact C-N 3.28Å; E188-L190 PolarHBondContact O-N 2.92Å; L190-R192 PolarHBondContact O-N 2.89Å; L190-S193 PolarHBondContact O-N 3.29Å; L190-S193 PolarHBondContact O-OG 3.22Å; L190-S193 VanDerWaalsContact O-OG 3.08Å; L190-H194 WeakPolarHBondContact CD1-CE1 3.41Å; L190-H194 VanDerWaalsContact O-CB 3.31Å; L190-H194 WeakPolarHBondContact O-CB 3.39Å; L190-H194 PolarHBondContact O-N 3Å; L190-H194 PolarHBondContact O-ND1 2.66Å; L190-H194 VanDerWaalsContact O-ND1 3.11Å; L190-I303 HydrophobicContact CD2-CB 3.79Å; L190-I303 HydrophobicContact CD2-CD1 4Å; L190-I306 HydrophobicContact CD1-CD1 4.16Å; L190-I306 HydrophobicContact CD2-CD1 3.72Å; L190-I306 HydrophobicContact CD2-CG1 4.38Å; L190-I306 HydrophobicContact CG-CD1 3.7Å
191V98.1Very high94.2Very high0 Ų054.6 Ų54.60%032%0.318CS..Hα-helixtrans-57.6-51.2179.41750000110.6Q187 E188 S193 H194 S195 S261 A264 L265 M268 L297 I306Q187-V191 PolarHBondContact O-N 3.31Å; Q187-V191 VanDerWaalsContact O-N 3.16Å; E188-V191 PolarHBondContact O-N 3.31Å; V191-S193 PolarHBondContact O-N 3.1Å; V191-H194 PolarHBondContact O-N 3.34Å; V191-S195 PolarHBondContact O-N 3.46Å; V191-S195 PolarHBondContact O-OG 2.96Å; V191-S261 WeakPolarHBondContact CG1-O 3.14Å; V191-A264 HydrophobicContact CG1-CB 3.87Å; V191-A264 HydrophobicContact CG2-CB 4.13Å; V191-L265 HydrophobicContact CG1-CB 4.08Å; V191-L265 HydrophobicContact CG1-CD1 4.21Å; V191-M268 HydrophobicContact CB-SD 3.82Å; V191-M268 HydrophobicContact CG1-SD 3.69Å; V191-M268 HydrophobicContact CG2-SD 4.02Å; V191-L297 HydrophobicContact CG2-CD1 3.99Å; V191-I306 HydrophobicContact CG2-CG2 4.32Å
192R98.3Very high94.5Very high95 Ų9551.2 Ų51.236%0.35828%0.282SS..Hα-helixtrans-58.6-48.2-179.3-68.7175.8-171.9124.66.9112.9E188 L190 H194 S195 L265 E270E188-R192 WeakPolarHBondContact O-CG 3.32Å; E188-R192 PolarHBondContact O-N 3.16Å; E188-R192 IonicContact OE2-CZ 3.64Å; E188-R192 IonicContact OE2-NH1 3.27Å; E188-R192 PolarHBondContact OE2-NH1 3.16Å; E188-R192 IonicContact OE2-NH2 3.11Å; E188-R192 PolarHBondContact OE2-NH2 3.08Å; E188-R192 VanDerWaalsContact OE2-NH2 3.11Å; L190-R192 PolarHBondContact O-N 2.89Å; R192-H194 VanDerWaalsContact C-N 3.31Å; R192-H194 PolarHBondContact O-N 3.3Å; R192-S195 PolarHBondContact O-N 3.19Å; R192-L265 HydrophobicContact CG-CD1 4.09Å; R192-E270 WeakPolarHBondContact CG-OE2 3.38Å; R192-E270 IonicContact CZ-OE1 3.28Å; R192-E270 VanDerWaalsContact CZ-OE1 3.28Å; R192-E270 IonicContact CZ-OE2 3.95Å; R192-E270 IonicContact NE-OE1 3.02Å; R192-E270 PolarHBondContact NE-OE1 3.48Å; R192-E270 IonicContact NE-OE2 2.96Å; R192-E270 PolarHBondContact NE-OE2 2.96Å; R192-E270 IonicContact NH2-OE1 2.71Å; R192-E270 PolarHBondContact NH2-OE1 3.05Å
193S97.1Very high94.5Very high79 Ų7948.2 Ų48.255%0.55227%0.274SS*.Hα-helixtrans-69.3-28.8-177.659.90000113.4N189 L190 V191N189-S193 VanDerWaalsContact O-CB 3.24Å; N189-S193 WeakPolarHBondContact O-CB 3.44Å; N189-S193 PolarHBondContact O-N 3.3Å; N189-S193 PolarHBondContact O-OG 3.25Å; L190-S193 PolarHBondContact O-N 3.29Å; L190-S193 PolarHBondContact O-OG 3.22Å; L190-S193 VanDerWaalsContact O-OG 3.08Å; V191-S193 PolarHBondContact O-N 3.1Å
194H97.1Very high94.8Very high60 Ų6048.6 Ų48.628%0.27828%0.276SS..Hα-helixtrans-89.1-13.4-178.6-72.448.4000112.9L190 V191 R192 A196 A258 S261 I306L190-H194 WeakPolarHBondContact CD1-CE1 3.41Å; L190-H194 VanDerWaalsContact O-CB 3.31Å; L190-H194 WeakPolarHBondContact O-CB 3.39Å; L190-H194 PolarHBondContact O-N 3Å; L190-H194 PolarHBondContact O-ND1 2.66Å; L190-H194 VanDerWaalsContact O-ND1 3.11Å; V191-H194 PolarHBondContact O-N 3.34Å; R192-H194 VanDerWaalsContact C-N 3.31Å; R192-H194 PolarHBondContact O-N 3.3Å; H194-A196 PolarHBondContact O-N 3.37Å; H194-A258 VanDerWaalsContact O-CA 3.32Å; H194-A258 WeakPolarHBondContact O-CA 3.35Å; H194-S261 WeakPolarHBondContact CB-OG 3.42Å; H194-I306 HydrophobicContact CB-CD1 4.18Å
195S98.1Very high94.8Very high22 Ų2244.9 Ų44.915%0.15426%0.261CS..  trans-70.557.7171-65.20000112.7V191 R192 S261 H262V191-S195 PolarHBondContact O-N 3.46Å; V191-S195 PolarHBondContact O-OG 2.96Å; R192-S195 PolarHBondContact O-N 3.19Å; S195-S261 WeakPolarHBondContact OG-CB 3.38Å; S195-S261 PolarHBondContact OG-O 3.47Å; S195-H262 PolarHBondContact O-CE1 2.98Å; S195-H262 PolarHBondContact O-NE2 3.15Å; S195-H262 VanDerWaalsContact O-NE2 3.08Å; S195-H262 PolarHBondContact OG-N 3.46Å
196A97.4Very high95Very high72 Ų7243.4 Ų43.460%0.59525%0.252SS*.  trans-109.619-177.500000112.8H194H194-A196 PolarHBondContact O-N 3.37Å
197G96.6Very high95.3Very high9 Ų942 Ų429%0.09324%0.244CC..  trans-65.5155.1174.600000113.5K248 H262G197-K248 CarbonylContact C-O 3.56Å; G197-K248 WeakPolarHBondContact CA-O 3.46Å; G197-H262 PolarHBondContact N-NE2 3.45Å
198L92.6Very high95.5Very high129 Ų12942 Ų4268%0.67524%0.244SC*.EExtended strand (participates in β ladder)trans-134.7170.7-178.7-67.2175.2000112P246 K248L198-P246 VanDerWaalsContact O-CB 3.22Å; L198-P246 WeakPolarHBondContact O-CB 3.42Å; L198-K248 PolarHBondContact N-O 2.78Å; L198-K248 WeakPolarHBondContact O-CA 3.41Å; L198-K248 VanDerWaalsContact O-CB 3.25Å; L198-K248 WeakPolarHBondContact O-CB 3.49Å; L198-K248 PolarHBondContact O-N 2.92Å
199G90.6Very high95.6Very high40 Ų4040.5 Ų40.541%0.41224%0.237SC..EExtended strand (participates in β ladder)trans89.1-170.9178.600000113.2
200N88.5Confident95.7Very high92 Ų9237 Ų3749%0.49222%0.219SC..EExtended strand (participates in β ladder)trans-63.3148.8-178.9-66.7-18000110.9E247N200-E247 WeakPolarHBondContact O-CG 3.26Å; N200-E247 PolarHBondContact O-N 2.65Å
201P91.9Very high95.8Very high40 Ų4036.8 Ų36.826%0.2622%0.217SC..EExtended strand (participates in β ladder)trans-64.6150.2170.427.5-33000110.6F244 V245 W280P201-F244 HydrophobicContact CB-CD2 3.75Å; P201-F244 HydrophobicContact CB-CE2 3.51Å; P201-F244 HydrophobicContact CB-CG 4.48Å; P201-F244 HydrophobicContact CB-CZ 4.06Å; P201-F244 HydrophobicContact CG-CD2 4.26Å; P201-F244 HydrophobicContact CG-CE2 3.69Å; P201-F244 HydrophobicContact CG-CZ 4.35Å; P201-V245 CarbonylContact C-O 3.59Å; P201-V245 VanDerWaalsContact CA-O 3.28Å; P201-V245 WeakPolarHBondContact CA-O 3.39Å; P201-W280 HydrophobicContact CB-CH2 4.17Å; P201-W280 HydrophobicContact CB-CZ2 3.95Å; P201-W280 HydrophobicContact CG-CZ2 4.25Å
202L95.1Very high95.8Very high6 Ų636.8 Ų36.83%0.03122%0.217CC..PPolyproline II helixtrans-57.4146.9161.8-58.5-177.6000110.2R206 T207 L210 V245 E247 M311L202-R206 HydrophobicContact CB-CB 4.01Å; L202-T207 WeakPolarHBondContact CB-OG1 3.48Å; L202-L210 HydrophobicContact CD1-CD2 4.07Å; L202-V245 HydrophobicContact CD1-CB 4Å; L202-V245 HydrophobicContact CD1-CG1 3.68Å; L202-V245 HydrophobicContact CG-CB 4.19Å; L202-V245 HydrophobicContact CG-CG1 4.1Å; L202-V245 WeakPolarHBondContact CG-O 3.39Å; L202-V245 PolarHBondContact N-O 3.14Å; L202-E247 HydrophobicContact CD2-CB 3.97Å; L202-M311 HydrophobicContact CD1-CE 3.97Å; L202-M311 HydrophobicContact CD1-SD 3.54Å; L202-M311 VanDerWaalsContact CD1-SD 3.54Å; L202-M311 HydrophobicContact CD2-CE 3.42Å; L202-M311 VanDerWaalsContact CD2-CE 3.42Å; L202-M311 HydrophobicContact CD2-SD 4.15Å; L202-M311 HydrophobicContact CG-CE 4.22Å; L202-M311 HydrophobicContact CG-SD 4.41Å
203S93.1Very high95.9Very high39 Ų3932.3 Ų32.327%0.27320%0.201SC..PPolyproline II helixtrans-62.2156171.983.60000110.2E205 R206 T207S203-E205 WeakPolarHBondContact CB-OE2 3.28Å; S203-E205 PolarHBondContact O-N 3.12Å; S203-E205 VanDerWaalsContact O-N 3.15Å; S203-E205 PolarHBondContact OG-N 2.9Å; S203-E205 PolarHBondContact OG-OE2 3.32Å; S203-R206 PolarHBondContact O-N 3.32Å; S203-R206 PolarHBondContact OG-N 2.78Å; S203-T207 PolarHBondContact O-N 2.76Å; S203-T207 PolarHBondContact O-OG1 3.34Å
204P93.9Very high95.9Very high10 Ų1028.6 Ų28.67%0.06518%0.175CC..Hα-helixtrans-49.4-40.4174-30.337.7000113.2I103 T207 R208 L242 W274I103-P204 HydrophobicContact CB-CB 4.46Å; I103-P204 HydrophobicContact CD1-CB 4.31Å; I103-P204 HydrophobicContact CG2-CB 4.33Å; P204-T207 PolarHBondContact O-N 2.61Å; P204-R208 WeakPolarHBondContact O-CB 3.35Å; P204-R208 WeakPolarHBondContact O-CG 3.47Å; P204-R208 PolarHBondContact O-N 3.33Å; P204-L242 HydrophobicContact CB-CD1 3.8Å; P204-L242 VanDerWaalsContact O-CD1 3.24Å; P204-L242 WeakPolarHBondContact O-CD1 3.42Å; P204-W274 HydrophobicContact CB-CD2 4.13Å; P204-W274 HydrophobicContact CB-CE3 3.98Å; P204-W274 HydrophobicContact CB-CZ3 4.21Å; P204-W274 HydrophobicContact CG-CD2 3.84Å; P204-W274 HydrophobicContact CG-CE3 4.22Å; P204-W274 HydrophobicContact CG-CG 4.18Å; P204-W274 HydrophobicContact CG-CZ2 4.44Å
205E94.4Very high96Very high22 Ų2225.8 Ų25.810%0.10316%0.161CC..Hα-helixtrans-62.9-47178.2-59.777.5-173.400111.8S101 N102 I103 G130 S203 R208 M209S101-E205 VanDerWaalsContact C-OE1 3.29Å; S101-E205 WeakPolarHBondContact CA-OE1 3.39Å; S101-E205 VanDerWaalsContact CB-OE1 3.31Å; S101-E205 WeakPolarHBondContact CB-OE1 3.44Å; S101-E205 PolarHBondContact OG-OE1 3.24Å; S101-E205 PolarHBondContact OG-OE2 3.48Å; N102-E205 PolarHBondContact N-OE1 3.42Å; I103-E205 HydrophobicContact CD1-CG 3.98Å; I103-E205 HydrophobicContact CG1-CG 4.23Å; I103-E205 PolarHBondContact N-OE1 3.29Å; G130-E205 WeakPolarHBondContact CA-O 3.28Å; G130-E205 VanDerWaalsContact O-CA 3.31Å; G130-E205 WeakPolarHBondContact O-CA 3.33Å; G130-E205 WeakPolarHBondContact O-CB 3.37Å; G130-E205 WeakPolarHBondContact O-CG 3.42Å; S203-E205 WeakPolarHBondContact CB-OE2 3.28Å; S203-E205 PolarHBondContact O-N 3.12Å; S203-E205 VanDerWaalsContact O-N 3.15Å; S203-E205 PolarHBondContact OG-N 2.9Å; S203-E205 PolarHBondContact OG-OE2 3.32Å; E205-R208 WeakPolarHBondContact O-CB 3.39Å; E205-R208 PolarHBondContact O-N 2.87Å; E205-M209 WeakPolarHBondContact O-CG 3.43Å; E205-M209 PolarHBondContact O-N 3.25Å
206R97.5Very high96Very high51 Ų5124.7 Ų24.719%0.19215%0.154CC..Hα-helixtrans-67.2-39.3179.3-73.2172.2176.1165.55.7111.7L202 S203 M209 L210 L315 E318 E547L202-R206 HydrophobicContact CB-CB 4.01Å; S203-R206 PolarHBondContact O-N 3.32Å; S203-R206 PolarHBondContact OG-N 2.78Å; R206-M209 WeakPolarHBondContact O-CB 3.41Å; R206-M209 PolarHBondContact O-N 2.97Å; R206-L210 WeakPolarHBondContact O-CB 3.48Å; R206-L210 PolarHBondContact O-N 3.1Å; R206-L315 HydrophobicContact CB-CD2 4.33Å; R206-L315 HydrophobicContact CG-CD2 3.93Å; R206-E318 WeakPolarHBondContact CG-OE2 3.38Å; R206-E318 IonicContact CZ-OE1 3.34Å; R206-E318 IonicContact CZ-OE2 2.72Å; R206-E318 IonicContact NE-OE1 2.92Å; R206-E318 IonicContact NE-OE2 2.7Å; R206-E318 PolarHBondContact NE-OE2 2.93Å; R206-E318 IonicContact NH2-OE1 3.54Å; R206-E318 PolarHBondContact NH2-OE1 3.19Å; R206-E318 IonicContact NH2-OE2 3.52Å; R206-E318 PolarHBondContact NH2-OE2 2.73Å; R206-E547 IonicContact NH2-OE1 2.69Å
207T98.1Very high96.1Very high0 Ų021.6 Ų21.60%013%0.127CC..Hα-helixtrans-65.6-38.1174.1-55.70000111.7L202 S203 P204 L210 L211 L242 S243 V245 L263L202-T207 WeakPolarHBondContact CB-OG1 3.48Å; S203-T207 PolarHBondContact O-N 2.76Å; S203-T207 PolarHBondContact O-OG1 3.34Å; P204-T207 PolarHBondContact O-N 2.61Å; T207-L210 PolarHBondContact O-N 3.5Å; T207-L211 WeakPolarHBondContact O-CB 3.48Å; T207-L211 PolarHBondContact O-N 3.07Å; T207-L242 HydrophobicContact CG2-CB 3.76Å; T207-L242 HydrophobicContact CG2-CD2 4.48Å; T207-S243 WeakPolarHBondContact CG2-O 3.39Å; T207-V245 HydrophobicContact CG2-CG2 4.27Å; T207-L263 HydrophobicContact CG2-CD1 4.26Å
208R97.9Very high96.1Very high0 Ų021.1 Ų21.10%012%0.123CC..Hα-helixtrans-59.7-46.8171.3-83.3178.27077.66.3111.4L129 Y134 P204 E205 L210 L211 A212 F237 S240 L242L129-R208 PolarHBondContact O-NE 2.8Å; L129-R208 PolarHBondContact O-NH2 3.18Å; L129-R208 VanDerWaalsContact O-NH2 3.14Å; Y134-R208 PolarHBondContact O-NH2 3.22Å; Y134-R208 VanDerWaalsContact O-NH2 3.15Å; P204-R208 WeakPolarHBondContact O-CB 3.35Å; P204-R208 WeakPolarHBondContact O-CG 3.47Å; P204-R208 PolarHBondContact O-N 3.33Å; E205-R208 WeakPolarHBondContact O-CB 3.39Å; E205-R208 PolarHBondContact O-N 2.87Å; R208-L210 VanDerWaalsContact C-N 3.35Å; R208-L210 PolarHBondContact O-N 3.17Å; R208-L211 PolarHBondContact O-N 3.01Å; R208-A212 WeakPolarHBondContact O-CB 3.47Å; R208-A212 PolarHBondContact O-N 3.31Å; R208-F237 HydrophobicContact CB-CE2 4.01Å; R208-F237 HydrophobicContact CG-CE2 4.24Å; R208-F237 PolarHBondContact NH1-O 3.42Å; R208-F237 WeakPolarHBondContact O-CE2 3.5Å; R208-S240 PolarHBondContact NH1-OG 3.46Å; R208-L242 HydrophobicContact CB-CD2 4.4Å; R208-L242 HydrophobicContact CG-CD1 3.63Å; R208-L242 HydrophobicContact CG-CD2 3.42Å; R208-L242 VanDerWaalsContact CG-CD2 3.42Å; R208-L242 HydrophobicContact CG-CG 4.14Å
209M98.6Very high96.4Very high5 Ų515 Ų153%0.0259%0.091CC..Hα-helixtrans-59.7-45.8176.7-66.5172.666.500111.5L126 V127 E205 R206 L211 A212 L213 S314 A317 E318L126-M209 HydrophobicContact CD1-CB 4.07Å; L126-M209 HydrophobicContact CD1-CG 4.41Å; L126-M209 WeakPolarHBondContact CD1-O 3.44Å; L126-M209 HydrophobicContact CD2-CB 4.41Å; L126-M209 HydrophobicContact CD2-CE 3.83Å; L126-M209 HydrophobicContact CG-CB 4.05Å; L126-M209 HydrophobicContact CG-CE 3.83Å; L126-M209 HydrophobicContact CG-CG 4.11Å; L126-M209 WeakPolarHBondContact O-CG 3.41Å; V127-M209 HydrophobicContact CG2-CE 3.83Å; V127-M209 HydrophobicContact CG2-SD 4.5Å; E205-M209 WeakPolarHBondContact O-CG 3.43Å; E205-M209 PolarHBondContact O-N 3.25Å; R206-M209 WeakPolarHBondContact O-CB 3.41Å; R206-M209 PolarHBondContact O-N 2.97Å; M209-L211 PolarHBondContact O-N 3Å; M209-A212 PolarHBondContact O-N 3.45Å; M209-L213 PolarHBondContact O-N 3Å; M209-S314 WeakPolarHBondContact CE-O 3.3Å; M209-A317 HydrophobicContact CE-CB 4.17Å; M209-E318 HydrophobicContact CE-CB 4.04Å; M209-E318 HydrophobicContact SD-CB 4.47Å
210L98.7Very high96.8Very high0 Ų014.7 Ų14.70%08%0.078CC..Hα-helixtrans-58.7-47.4177.7-176.763.1000111.9L202 R206 T207 R208 L213 R214 V245 L260 L263 Q310 M311L202-L210 HydrophobicContact CD1-CD2 4.07Å; R206-L210 WeakPolarHBondContact O-CB 3.48Å; R206-L210 PolarHBondContact O-N 3.1Å; T207-L210 PolarHBondContact O-N 3.5Å; R208-L210 VanDerWaalsContact C-N 3.35Å; R208-L210 PolarHBondContact O-N 3.17Å; L210-L213 PolarHBondContact O-N 3.45Å; L210-R214 PolarHBondContact O-N 3.36Å; L210-V245 HydrophobicContact CD2-CG1 3.92Å; L210-V245 HydrophobicContact CD2-CG2 4.23Å; L210-L260 HydrophobicContact CD1-CD2 3.72Å; L210-L260 HydrophobicContact CD2-CD2 4.38Å; L210-L260 HydrophobicContact CG-CD2 4.09Å; L210-L263 HydrophobicContact CD2-CD2 4.42Å; L210-L263 HydrophobicContact CG-CD2 4.16Å; L210-Q310 HydrophobicContact CD1-CB 3.7Å; L210-Q310 WeakPolarHBondContact CD1-O 3.45Å; L210-M311 HydrophobicContact CD1-CB 4.1Å
211L98.8Very high97.2Very high1 Ų110.6 Ų10.61%0.0056%0.058CC..Hα-helixtrans-64.3-44178-178.554.2000111.9T207 R208 M209 L213 R214 I215 M233 F237 L242 L263 L267T207-L211 WeakPolarHBondContact O-CB 3.48Å; T207-L211 PolarHBondContact O-N 3.07Å; R208-L211 PolarHBondContact O-N 3.01Å; M209-L211 PolarHBondContact O-N 3Å; L211-L213 PolarHBondContact O-N 2.58Å; L211-R214 PolarHBondContact O-N 2.74Å; L211-I215 HydrophobicContact CD1-CD1 4.17Å; L211-I215 HydrophobicContact CD1-CG1 4.34Å; L211-I215 HydrophobicContact CG-CD1 4.03Å; L211-I215 VanDerWaalsContact O-CG1 3.31Å; L211-I215 WeakPolarHBondContact O-CG1 3.43Å; L211-I215 PolarHBondContact O-N 3Å; L211-M233 HydrophobicContact CD1-CB 4.47Å; L211-M233 HydrophobicContact CD1-CE 3.82Å; L211-F237 HydrophobicContact CB-CD2 4.28Å; L211-F237 HydrophobicContact CD2-CB 3.75Å; L211-F237 HydrophobicContact CD2-CD2 4.09Å; L211-F237 HydrophobicContact CD2-CG 4.44Å; L211-F237 HydrophobicContact CG-CB 4.2Å; L211-F237 HydrophobicContact CG-CD2 4.1Å; L211-L242 HydrophobicContact CD2-CD2 4.48Å; L211-L263 HydrophobicContact CB-CD1 4.14Å; L211-L263 HydrophobicContact CD1-CD1 4.3Å; L211-L263 HydrophobicContact CD1-CD2 4.22Å; L211-L267 HydrophobicContact CD1-CD1 4.26Å
212A98.8Very high97.5Very high0 Ų011.4 Ų11.40%06%0.058CC..Hα-helixtrans-59.2-44.1176.500000112.2L126 L129 I136 R208 M209 I215 N216 F237L126-A212 HydrophobicContact CD1-CB 3.91Å; L129-A212 HydrophobicContact CB-CB 4.45Å; L129-A212 HydrophobicContact CD1-CB 3.99Å; I136-A212 HydrophobicContact CD1-CB 3.87Å; R208-A212 WeakPolarHBondContact O-CB 3.47Å; R208-A212 PolarHBondContact O-N 3.31Å; M209-A212 PolarHBondContact O-N 3.45Å; A212-I215 PolarHBondContact O-N 3.44Å; A212-N216 WeakPolarHBondContact O-CB 3.27Å; A212-N216 PolarHBondContact O-N 3.37Å; A212-F237 HydrophobicContact CB-CD2 4.43Å; A212-F237 HydrophobicContact CB-CE2 3.82Å; A212-F237 HydrophobicContact CB-CZ 4.32Å
213L98.4Very high97.6Very high2 Ų211.3 Ų11.31%0.016%0.058CC..Hα-helixtrans-64.4-40.8175.7-76.6-170.9000112.4L121 L126 M209 L210 L211 I215 N216 V217 Q310 T313 I422L121-L213 HydrophobicContact CD2-CD2 4.1Å; L126-L213 HydrophobicContact CD1-CD2 3.83Å; L126-L213 HydrophobicContact CD1-CG 3.72Å; L126-L213 HydrophobicContact CD2-CD1 3.7Å; L126-L213 HydrophobicContact CD2-CD2 3.74Å; L126-L213 HydrophobicContact CD2-CG 3.63Å; L126-L213 HydrophobicContact CG-CD2 4.36Å; L126-L213 HydrophobicContact CG-CG 4.33Å; M209-L213 PolarHBondContact O-N 3Å; L210-L213 PolarHBondContact O-N 3.45Å; L211-L213 PolarHBondContact O-N 2.58Å; L213-I215 VanDerWaalsContact C-N 3.31Å; L213-I215 PolarHBondContact O-N 3.49Å; L213-N216 PolarHBondContact O-N 3.14Å; L213-V217 WeakPolarHBondContact O-CG2 3.39Å; L213-V217 PolarHBondContact O-N 3.29Å; L213-Q310 HydrophobicContact CB-CB 3.94Å; L213-Q310 HydrophobicContact CB-CG 3.7Å; L213-Q310 HydrophobicContact CD1-CB 4.38Å; L213-T313 HydrophobicContact CD1-CG2 3.78Å; L213-I422 HydrophobicContact CD2-CB 4.16Å; L213-I422 HydrophobicContact CD2-CG1 4Å; L213-I422 HydrophobicContact CD2-CG2 3.74Å
214R98.4Very high97.7Very high1 Ų19.5 Ų9.50%0.0045%0.045CC..Hα-helixtrans-62-43.6176.7-168.867.5-133.6169.12110.7L210 L211 N216 V217 L218 M233 L263 A304 L305 N307 Q310L210-R214 PolarHBondContact O-N 3.36Å; L211-R214 PolarHBondContact O-N 2.74Å; R214-N216 PolarHBondContact O-N 3.33Å; R214-V217 PolarHBondContact O-N 2.81Å; R214-L218 HydrophobicContact CG-CD1 4.17Å; R214-L218 WeakPolarHBondContact O-CB 3.39Å; R214-L218 WeakPolarHBondContact O-CG 2.78Å; R214-L218 PolarHBondContact O-N 3.03Å; R214-L218 VanDerWaalsContact O-N 3.07Å; R214-M233 HydrophobicContact CB-CE 4.25Å; R214-M233 HydrophobicContact CG-CE 3.86Å; R214-L263 HydrophobicContact CB-CD2 4.3Å; R214-A304 PolarHBondContact NE-O 3.43Å; R214-A304 VanDerWaalsContact NE-O 3.13Å; R214-A304 PolarHBondContact NH2-O 3.39Å; R214-L305 WeakPolarHBondContact CD-O 3.49Å; R214-N307 PolarHBondContact NH1-O 3.31Å; R214-N307 PolarHBondContact NH2-O 3.46Å; R214-Q310 VanDerWaalsContact NH1-OE1 3.16Å
215I98.8Very high97.9Very high0 Ų09 Ų90%04%0.042CC..Hα-helixtrans-59.8-45.7174.1-65.6164.3000110.6L116 I136 L138 L211 A212 L213 V217 L218 A219 L230 M233 I234 F237L116-I215 HydrophobicContact CD1-CB 4.32Å; L116-I215 HydrophobicContact CD1-CG2 3.83Å; I136-I215 HydrophobicContact CD1-CD1 4.14Å; I136-I215 HydrophobicContact CG2-CG2 4.16Å; L138-I215 HydrophobicContact CD2-CG2 4.49Å; L211-I215 HydrophobicContact CD1-CD1 4.17Å; L211-I215 HydrophobicContact CD1-CG1 4.34Å; L211-I215 HydrophobicContact CG-CD1 4.03Å; L211-I215 VanDerWaalsContact O-CG1 3.31Å; L211-I215 WeakPolarHBondContact O-CG1 3.43Å; L211-I215 PolarHBondContact O-N 3Å; A212-I215 PolarHBondContact O-N 3.44Å; L213-I215 VanDerWaalsContact C-N 3.31Å; L213-I215 PolarHBondContact O-N 3.49Å; I215-V217 PolarHBondContact O-N 2.74Å; I215-L218 PolarHBondContact O-N 2.9Å; I215-A219 VanDerWaalsContact O-CB 3.3Å; I215-A219 WeakPolarHBondContact O-CB 3.42Å; I215-A219 PolarHBondContact O-N 3.42Å; I215-L230 HydrophobicContact CB-CD1 4.38Å; I215-L230 HydrophobicContact CG1-CD1 4.41Å; I215-L230 HydrophobicContact CG2-CD1 3.96Å; I215-M233 HydrophobicContact CD1-CB 4.24Å; I215-M233 HydrophobicContact CG1-CB 4.04Å; I215-M233 HydrophobicContact CG1-CE 4.08Å; I215-I234 HydrophobicContact CD1-CG1 4.04Å; I215-I234 HydrophobicContact CG1-CG1 4.42Å; I215-I234 HydrophobicContact CG2-CD1 4.11Å; I215-I234 HydrophobicContact CG2-CG1 3.75Å; I215-F237 HydrophobicContact CD1-CB 4Å; I215-F237 HydrophobicContact CD1-CG 4.42Å
216N98.7Very high98.1Very high0 Ų08 Ų80%04%0.037CC..Hα-helixtrans-61.1-45.2-179.6-164.450000112.3L116 G118 L121 A212 L213 R214 L218 A219 K220 I422 N423L116-N216 HydrophobicContact CD1-CB 4.17Å; G118-N216 WeakPolarHBondContact CA-O 3.42Å; G118-N216 VanDerWaalsContact CA-OD1 3.27Å; G118-N216 WeakPolarHBondContact CA-OD1 3.38Å; G118-N216 PolarHBondContact N-OD1 3.22Å; G118-N216 VanDerWaalsContact N-OD1 3.17Å; L121-N216 HydrophobicContact CD2-CB 4.31Å; A212-N216 WeakPolarHBondContact O-CB 3.27Å; A212-N216 PolarHBondContact O-N 3.37Å; L213-N216 PolarHBondContact O-N 3.14Å; R214-N216 PolarHBondContact O-N 3.33Å; N216-L218 VanDerWaalsContact C-N 3.35Å; N216-L218 PolarHBondContact O-N 3.07Å; N216-A219 WeakPolarHBondContact O-CB 3.26Å; N216-A219 PolarHBondContact O-N 3.33Å; N216-K220 PolarHBondContact O-N 3.01Å; N216-I422 PolarHBondContact ND2-O 3.15Å; N216-N423 PolarHBondContact ND2-OD1 3.29Å
217V98Very high98.1Very high6 Ų67.8 Ų7.84%0.0364%0.04CC..Hα-helixtrans-63.1-42.7177.6170.60000111.5L213 R214 I215 K220 Q310 S424L213-V217 WeakPolarHBondContact O-CG2 3.39Å; L213-V217 PolarHBondContact O-N 3.29Å; R214-V217 PolarHBondContact O-N 2.81Å; I215-V217 PolarHBondContact O-N 2.74Å; V217-K220 VanDerWaalsContact O-CB 3.28Å; V217-K220 WeakPolarHBondContact O-CB 3.43Å; V217-K220 PolarHBondContact O-N 3.34Å; V217-Q310 HydrophobicContact CG2-CG 4.46Å; V217-Q310 VanDerWaalsContact CG2-NE2 3.27Å; V217-S424 WeakPolarHBondContact CG2-O 3.43Å
218L98.4Very high98.1Very high0 Ų013.5 Ų13.50%07%0.067CC..Hα-helixtrans-65-40.1177-71.1176.1000112.4V146 R214 I215 N216 K220 G221 S223 I225 L230 M233 A304 L305V146-L218 WeakPolarHBondContact CG2-O 3.18Å; R214-L218 HydrophobicContact CG-CD1 4.17Å; R214-L218 WeakPolarHBondContact O-CB 3.39Å; R214-L218 WeakPolarHBondContact O-CG 2.78Å; R214-L218 PolarHBondContact O-N 3.03Å; R214-L218 VanDerWaalsContact O-N 3.07Å; I215-L218 PolarHBondContact O-N 2.9Å; N216-L218 VanDerWaalsContact C-N 3.35Å; N216-L218 PolarHBondContact O-N 3.07Å; L218-K220 PolarHBondContact O-N 2.86Å; L218-K220 VanDerWaalsContact O-N 3.16Å; L218-G221 PolarHBondContact O-N 2.94Å; L218-G221 VanDerWaalsContact O-N 3.1Å; L218-S223 VanDerWaalsContact CD2-CB 3.5Å; L218-I225 HydrophobicContact CB-CG2 4.11Å; L218-I225 HydrophobicContact CD1-CG1 4.35Å; L218-I225 HydrophobicContact CD2-CB 3.94Å; L218-I225 HydrophobicContact CD2-CG1 4.4Å; L218-I225 HydrophobicContact CD2-CG2 4.01Å; L218-I225 HydrophobicContact CG-CG2 4.46Å; L218-L230 HydrophobicContact CB-CD1 3.78Å; L218-L230 HydrophobicContact CB-CD2 4.39Å; L218-L230 HydrophobicContact CD1-CD1 3.99Å; L218-M233 HydrophobicContact CD1-CE 3.91Å; L218-M233 HydrophobicContact CD1-SD 3.7Å; L218-A304 HydrophobicContact CD2-CB 4.48Å; L218-A304 WeakPolarHBondContact CD2-O 3.17Å; L218-L305 HydrophobicContact CD1-CD2 4.09Å
219A98.4Very high98.1Very high0 Ų013.9 Ų13.90%07%0.069CC..Hα-helixtrans-60.8-22.1177.600000113.2L138 A142 I215 N216 G221L138-A219 HydrophobicContact CD2-CB 3.63Å; A142-A219 HydrophobicContact CB-CB 4.27Å; A142-A219 WeakPolarHBondContact CB-O 3.3Å; I215-A219 VanDerWaalsContact O-CB 3.3Å; I215-A219 WeakPolarHBondContact O-CB 3.42Å; I215-A219 PolarHBondContact O-N 3.42Å; N216-A219 WeakPolarHBondContact O-CB 3.26Å; N216-A219 PolarHBondContact O-N 3.33Å; A219-G221 PolarHBondContact O-N 3.37Å
220K98Very high98.1Very high33 Ų3313.6 Ų13.614%0.1437%0.067CC..THydrogen-bonded Turntrans-64.2-20.9176-150.7-173.8-174.877.60113.1G118 N119 N216 V217 L218 N423 A425G118-K220 PolarHBondContact O-NZ 3.06Å; N119-K220 PolarHBondContact OD1-NZ 3.27Å; N216-K220 PolarHBondContact O-N 3.01Å; V217-K220 VanDerWaalsContact O-CB 3.28Å; V217-K220 WeakPolarHBondContact O-CB 3.43Å; V217-K220 PolarHBondContact O-N 3.34Å; L218-K220 PolarHBondContact O-N 2.86Å; L218-K220 VanDerWaalsContact O-N 3.16Å; K220-N423 PolarHBondContact NZ-O 2.97Å; K220-A425 HydrophobicContact CD-CB 3.82Å
221G97.8Very high98.1Very high6 Ų616.2 Ų16.26%0.0628%0.08CC..SBendtrans85.618.4171.300000116S149 L218 A219S149-G221 WeakPolarHBondContact CB-O 3.36Å; S149-G221 PolarHBondContact OG-O 3.44Å; L218-G221 PolarHBondContact O-N 2.94Å; L218-G221 VanDerWaalsContact O-N 3.1Å; A219-G221 PolarHBondContact O-N 3.37Å
222H97.8Very high98.1Very high58 Ų5817.4 Ų17.427%0.2699%0.09SC..  trans-109.77.6179-67.6-71.9000114.3M430 V431H222-M430 HydrophobicContact CB-CE 3.46Å; H222-M430 VanDerWaalsContact CB-CE 3.46Å; H222-M430 HydrophobicContact CB-SD 4.41Å; H222-V431 PolarHBondContact ND1-O 3.24Å; H222-V431 WeakPolarHBondContact O-CB 3.36Å; H222-V431 PolarHBondContact O-N 3.44Å
223S96.8Very high98.1Very high3 Ų317.4 Ų17.42%0.0219%0.09CC..SBendtrans-102.1-16.7-175.9-73.70000114.6L218 I225 K300 D427L218-S223 VanDerWaalsContact CD2-CB 3.5Å; S223-I225 PolarHBondContact O-N 2.93Å; S223-K300 WeakPolarHBondContact O-CD 3.37Å; S223-K300 VanDerWaalsContact O-CE 3.32Å; S223-K300 WeakPolarHBondContact O-CE 3.12Å; S223-K300 PolarHBondContact O-NZ 3.07Å; S223-D427 VanDerWaalsContact CA-OD2 3.23Å; S223-D427 WeakPolarHBondContact CA-OD2 3.36Å; S223-D427 WeakPolarHBondContact CB-OD2 3.47Å; S223-D427 WeakPolarHBondContact OG-CB 3.34Å; S223-D427 PolarHBondContact OG-OD2 3.04Å
224G95.9Very high98.1Very high1 Ų117.5 Ų17.51%0.019%0.09CC..  trans62.424.8-174.600000114.5S149 R150S149-G224 WeakPolarHBondContact OG-CA 3.28Å; S149-G224 PolarHBondContact OG-N 3.41Å; S149-G224 VanDerWaalsContact OG-N 3.1Å; R150-G224 WeakPolarHBondContact CD-O 3.33Å; R150-G224 PolarHBondContact NH1-O 2.81Å
225I97.8Very high98.1Very high1 Ų122.3 Ų22.31%0.00511%0.112CC..  trans-65.5150.7166-162.579.3000109.2V146 L218 S223 T229 L230 E301 L305V146-I225 HydrophobicContact CG1-CG2 3.95Å; V146-I225 WeakPolarHBondContact CG1-O 3.18Å; L218-I225 HydrophobicContact CB-CG2 4.11Å; L218-I225 HydrophobicContact CD1-CG1 4.35Å; L218-I225 HydrophobicContact CD2-CB 3.94Å; L218-I225 HydrophobicContact CD2-CG1 4.4Å; L218-I225 HydrophobicContact CD2-CG2 4.01Å; L218-I225 HydrophobicContact CG-CG2 4.46Å; S223-I225 PolarHBondContact O-N 2.93Å; I225-T229 HydrophobicContact CD1-CG2 3.89Å; I225-T229 HydrophobicContact CG1-CG2 4.21Å; I225-L230 HydrophobicContact CG2-CB 4.37Å; I225-L230 HydrophobicContact CG2-CD2 4.4Å; I225-E301 HydrophobicContact CD1-CB 3.83Å; I225-E301 HydrophobicContact CD1-CG 3.8Å; I225-L305 HydrophobicContact CD1-CD2 4.25Å; I225-L305 HydrophobicContact CD1-CG 4.28Å
226S98.1Very high98.1Very high0 Ų022.3 Ų22.30%011%0.113CC..  trans-80.8149.1171.1750000111.7E228 T229 L230 E301S226-E228 WeakPolarHBondContact CB-OE2 3.45Å; S226-E228 PolarHBondContact O-N 3Å; S226-E228 PolarHBondContact OG-OE2 2.8Å; S226-T229 PolarHBondContact O-N 2.68Å; S226-T229 PolarHBondContact OG-N 2.87Å; S226-T229 PolarHBondContact OG-OG1 2.75Å; S226-L230 PolarHBondContact O-N 2.85Å; S226-L230 VanDerWaalsContact O-N 3.07Å; S226-E301 WeakPolarHBondContact CA-OE1 3.23Å; S226-E301 WeakPolarHBondContact CB-OE1 3.49Å; S226-E301 PolarHBondContact N-OE1 3.24Å; S226-E301 PolarHBondContact OG-OE1 3.21Å
227L98.3Very high98.1Very high46 Ų4622.3 Ų22.324%0.24111%0.113CC..Hα-helixtrans-63.3-33179.7-17761.8000110.8L138 E143 V146 V147 L230 Q231L138-L227 HydrophobicContact CD1-CD1 4.03Å; E143-L227 HydrophobicContact CB-CD1 4.43Å; E143-L227 HydrophobicContact CG-CD1 4.15Å; V146-L227 HydrophobicContact CG1-CB 4.42Å; V147-L227 HydrophobicContact CG2-CB 4.33Å; V147-L227 HydrophobicContact CG2-CD2 4.06Å; L227-L230 PolarHBondContact O-N 3.18Å; L227-Q231 HydrophobicContact CD1-CG 4.09Å; L227-Q231 HydrophobicContact CG-CG 4.22Å; L227-Q231 WeakPolarHBondContact O-CB 3.35Å; L227-Q231 VanDerWaalsContact O-CG 3.25Å; L227-Q231 WeakPolarHBondContact O-CG 3.07Å; L227-Q231 PolarHBondContact O-N 2.78Å
228E98.1Very high98Very high121 Ų12123.3 Ų23.357%0.56512%0.118SC*.Hα-helixtrans-64.2-45.7178.6-50.599.3130.900111.6S226 Q231 A232 K298S226-E228 WeakPolarHBondContact CB-OE2 3.45Å; S226-E228 PolarHBondContact O-N 3Å; S226-E228 PolarHBondContact OG-OE2 2.8Å; E228-Q231 PolarHBondContact O-N 3.23Å; E228-A232 PolarHBondContact O-N 3.43Å; E228-K298 IonicContact OE1-NZ 3.2Å; E228-K298 PolarHBondContact OE1-NZ 2.91Å; E228-K298 IonicContact OE2-NZ 2.88Å; E228-K298 PolarHBondContact OE2-NZ 3.12Å
229T98.3Very high97.9Very high7 Ų724.5 Ų24.54%0.04313%0.128CC..Hα-helixtrans-64.9-44176.6-620000111I225 S226 Q231 A232 M233 I295 E301I225-T229 HydrophobicContact CD1-CG2 3.89Å; I225-T229 HydrophobicContact CG1-CG2 4.21Å; S226-T229 PolarHBondContact O-N 2.68Å; S226-T229 PolarHBondContact OG-N 2.87Å; S226-T229 PolarHBondContact OG-OG1 2.75Å; T229-Q231 PolarHBondContact O-N 3.46Å; T229-A232 WeakPolarHBondContact O-CB 3.2Å; T229-A232 PolarHBondContact O-N 3.11Å; T229-M233 WeakPolarHBondContact O-CG 3.2Å; T229-M233 PolarHBondContact O-N 2.98Å; T229-M233 VanDerWaalsContact O-N 3.08Å; T229-I295 HydrophobicContact CG2-CB 4.47Å; T229-I295 HydrophobicContact CG2-CD1 4.18Å; T229-E301 PolarHBondContact OG1-OE1 2.71Å; T229-E301 PolarHBondContact OG1-OE2 2.89Å
230L98.6Very high97.7Very high0 Ų024.5 Ų24.50%013%0.128CC..Hα-helixtrans-63.5-40.2178.7-174.956.7000112.3L138 V146 I215 L218 I225 S226 L227 M233 I234L138-L230 HydrophobicContact CD1-CD2 3.68Å; L138-L230 HydrophobicContact CD1-CG 4.14Å; L138-L230 HydrophobicContact CD2-CD2 4.4Å; V146-L230 HydrophobicContact CG1-CD2 4.29Å; V146-L230 HydrophobicContact CG2-CD2 3.86Å; I215-L230 HydrophobicContact CB-CD1 4.38Å; I215-L230 HydrophobicContact CG1-CD1 4.41Å; I215-L230 HydrophobicContact CG2-CD1 3.96Å; L218-L230 HydrophobicContact CB-CD1 3.78Å; L218-L230 HydrophobicContact CB-CD2 4.39Å; L218-L230 HydrophobicContact CD1-CD1 3.99Å; I225-L230 HydrophobicContact CG2-CB 4.37Å; I225-L230 HydrophobicContact CG2-CD2 4.4Å; S226-L230 PolarHBondContact O-N 2.85Å; S226-L230 VanDerWaalsContact O-N 3.07Å; L227-L230 PolarHBondContact O-N 3.18Å; L230-M233 HydrophobicContact CD1-SD 4.39Å; L230-M233 WeakPolarHBondContact O-CB 3.22Å; L230-M233 PolarHBondContact O-N 3.38Å; L230-I234 HydrophobicContact CG-CD1 4.4Å; L230-I234 WeakPolarHBondContact O-CG1 3.11Å; L230-I234 PolarHBondContact O-N 2.93Å; L230-I234 VanDerWaalsContact O-N 3.08Å
231Q98.5Very high97.6Very high55 Ų5523 Ų2326%0.25712%0.121SC..Hα-helixtrans-66.3-37.4175.1-74-67.9-7.800112.2E143 L227 E228 T229 M233 I234 Q235E143-Q231 PolarHBondContact OE1-NE2 2.82Å; L227-Q231 HydrophobicContact CD1-CG 4.09Å; L227-Q231 HydrophobicContact CG-CG 4.22Å; L227-Q231 WeakPolarHBondContact O-CB 3.35Å; L227-Q231 VanDerWaalsContact O-CG 3.25Å; L227-Q231 WeakPolarHBondContact O-CG 3.07Å; L227-Q231 PolarHBondContact O-N 2.78Å; E228-Q231 PolarHBondContact O-N 3.23Å; T229-Q231 PolarHBondContact O-N 3.46Å; Q231-M233 VanDerWaalsContact C-N 3.32Å; Q231-M233 PolarHBondContact O-N 3.04Å; Q231-I234 PolarHBondContact O-N 3.39Å; Q231-Q235 VanDerWaalsContact O-CG 3.3Å; Q231-Q235 WeakPolarHBondContact O-CG 3.48Å; Q231-Q235 PolarHBondContact O-N 2.81Å
232A98.4Very high97.6Very high26 Ų2622.7 Ų22.722%0.21512%0.118CC..Hα-helixtrans-62.2-39.1173.600000112.1E228 T229 Q235 A236 I295E228-A232 PolarHBondContact O-N 3.43Å; T229-A232 WeakPolarHBondContact O-CB 3.2Å; T229-A232 PolarHBondContact O-N 3.11Å; A232-Q235 PolarHBondContact O-N 3.33Å; A232-A236 PolarHBondContact O-N 3.04Å; A232-I295 HydrophobicContact CB-CG2 3.68Å
233M98.6Very high97.6Very high0 Ų020 Ų200%011%0.106CC..Hα-helixtrans-62.3-42.5173.2-64.5173.769.600112.1L211 R214 I215 L218 T229 L230 Q231 Q235 A236 F237 L267 L305L211-M233 HydrophobicContact CD1-CB 4.47Å; L211-M233 HydrophobicContact CD1-CE 3.82Å; R214-M233 HydrophobicContact CB-CE 4.25Å; R214-M233 HydrophobicContact CG-CE 3.86Å; I215-M233 HydrophobicContact CD1-CB 4.24Å; I215-M233 HydrophobicContact CG1-CB 4.04Å; I215-M233 HydrophobicContact CG1-CE 4.08Å; L218-M233 HydrophobicContact CD1-CE 3.91Å; L218-M233 HydrophobicContact CD1-SD 3.7Å; T229-M233 WeakPolarHBondContact O-CG 3.2Å; T229-M233 PolarHBondContact O-N 2.98Å; T229-M233 VanDerWaalsContact O-N 3.08Å; L230-M233 HydrophobicContact CD1-SD 4.39Å; L230-M233 WeakPolarHBondContact O-CB 3.22Å; L230-M233 PolarHBondContact O-N 3.38Å; Q231-M233 VanDerWaalsContact C-N 3.32Å; Q231-M233 PolarHBondContact O-N 3.04Å; M233-Q235 VanDerWaalsContact C-N 3.35Å; M233-A236 PolarHBondContact O-N 2.95Å; M233-F237 WeakPolarHBondContact O-CB 3.44Å; M233-F237 PolarHBondContact O-N 2.89Å; M233-L267 HydrophobicContact CE-CD1 4.32Å; M233-L267 HydrophobicContact CG-CD1 3.95Å; M233-L305 HydrophobicContact CE-CD2 3.75Å; M233-L305 HydrophobicContact SD-CD2 3.43Å; M233-L305 WeakPolarHBondContact SD-CD2 3.49Å
234I98.8Very high97.7Very high4 Ų422.7 Ų22.72%0.02112%0.117CC..Hα-helixtrans-63.9-41.6177.2-69166.8000110.8I136 L138 I215 L230 Q231 F237 N238I136-I234 HydrophobicContact CB-CG2 4.32Å; I136-I234 HydrophobicContact CG2-CD1 4.29Å; I136-I234 HydrophobicContact CG2-CG1 3.97Å; I136-I234 HydrophobicContact CG2-CG2 4.14Å; I136-I234 VanDerWaalsContact O-CG2 3.25Å; I136-I234 WeakPolarHBondContact O-CG2 3.11Å; L138-I234 HydrophobicContact CD1-CD1 3.95Å; L138-I234 HydrophobicContact CD2-CD1 3.85Å; L138-I234 HydrophobicContact CG-CD1 3.56Å; I215-I234 HydrophobicContact CD1-CG1 4.04Å; I215-I234 HydrophobicContact CG1-CG1 4.42Å; I215-I234 HydrophobicContact CG2-CD1 4.11Å; I215-I234 HydrophobicContact CG2-CG1 3.75Å; L230-I234 HydrophobicContact CG-CD1 4.4Å; L230-I234 WeakPolarHBondContact O-CG1 3.11Å; L230-I234 PolarHBondContact O-N 2.93Å; L230-I234 VanDerWaalsContact O-N 3.08Å; Q231-I234 PolarHBondContact O-N 3.39Å; I234-F237 PolarHBondContact O-N 3.3Å; I234-N238 WeakPolarHBondContact O-CB 3.36Å; I234-N238 PolarHBondContact O-N 3.04Å; I234-N238 PolarHBondContact O-ND2 3.43Å
235Q98.4Very high97.8Very high101 Ų10122.7 Ų22.747%0.47212%0.117SC..Hα-helixtrans-62.5-45.1175.8-71170.76.300111.5Q231 A232 M233 F237 N238 A239 L292Q231-Q235 VanDerWaalsContact O-CG 3.3Å; Q231-Q235 WeakPolarHBondContact O-CG 3.48Å; Q231-Q235 PolarHBondContact O-N 2.81Å; A232-Q235 PolarHBondContact O-N 3.33Å; M233-Q235 VanDerWaalsContact C-N 3.35Å; Q235-F237 PolarHBondContact O-N 3.44Å; Q235-N238 PolarHBondContact O-N 2.72Å; Q235-A239 WeakPolarHBondContact O-CB 3.45Å; Q235-A239 PolarHBondContact O-N 2.95Å; Q235-L292 HydrophobicContact CB-CD2 3.79Å
236A98.3Very high97.7Very high1 Ų122.8 Ų22.81%0.00812%0.118CC..Hα-helixtrans-60.7-44.3174.600000112A232 M233 A239 S240 C241 L267 L292A232-A236 PolarHBondContact O-N 3.04Å; M233-A236 PolarHBondContact O-N 2.95Å; A236-A239 PolarHBondContact O-N 3.5Å; A236-S240 PolarHBondContact O-N 3.4Å; A236-S240 VanDerWaalsContact O-N 3.14Å; A236-C241 HydrophobicContact CB-CB 4.31Å; A236-C241 PolarHBondContact O-N 3.37Å; A236-L267 HydrophobicContact CB-CD2 3.62Å; A236-L292 HydrophobicContact CB-CD1 4.24Å
237F98.3Very high97.6Very high0 Ų025 Ų250%013%0.128CC..Hα-helixtrans-60-46.8174.8177.6-87.3000112.1L129 I136 R208 L211 A212 I215 M233 I234 Q235 A239 S240L129-F237 HydrophobicContact CB-CZ 4.03Å; L129-F237 HydrophobicContact CD2-CE1 3.73Å; L129-F237 HydrophobicContact CD2-CZ 3.48Å; L129-F237 VanDerWaalsContact CD2-CZ 3.48Å; L129-F237 HydrophobicContact CG-CZ 4.33Å; I136-F237 HydrophobicContact CB-CD1 4.04Å; I136-F237 HydrophobicContact CB-CE1 4.23Å; I136-F237 HydrophobicContact CD1-CD1 3.48Å; I136-F237 VanDerWaalsContact CD1-CD1 3.48Å; I136-F237 HydrophobicContact CD1-CD2 4.02Å; I136-F237 HydrophobicContact CD1-CE1 3.42Å; I136-F237 VanDerWaalsContact CD1-CE1 3.42Å; I136-F237 HydrophobicContact CD1-CE2 3.96Å; I136-F237 HydrophobicContact CD1-CG 3.8Å; I136-F237 HydrophobicContact CD1-CZ 3.67Å; I136-F237 HydrophobicContact CG1-CD1 3.74Å; I136-F237 HydrophobicContact CG1-CE1 3.51Å; I136-F237 HydrophobicContact CG1-CZ 4.12Å; R208-F237 HydrophobicContact CB-CE2 4.01Å; R208-F237 HydrophobicContact CG-CE2 4.24Å; R208-F237 PolarHBondContact NH1-O 3.42Å; R208-F237 WeakPolarHBondContact O-CE2 3.5Å; L211-F237 HydrophobicContact CB-CD2 4.28Å; L211-F237 HydrophobicContact CD2-CB 3.75Å; L211-F237 HydrophobicContact CD2-CD2 4.09Å; L211-F237 HydrophobicContact CD2-CG 4.44Å; L211-F237 HydrophobicContact CG-CB 4.2Å; L211-F237 HydrophobicContact CG-CD2 4.1Å; A212-F237 HydrophobicContact CB-CD2 4.43Å; A212-F237 HydrophobicContact CB-CE2 3.82Å; A212-F237 HydrophobicContact CB-CZ 4.32Å; I215-F237 HydrophobicContact CD1-CB 4Å; I215-F237 HydrophobicContact CD1-CG 4.42Å; M233-F237 WeakPolarHBondContact O-CB 3.44Å; M233-F237 PolarHBondContact O-N 2.89Å; I234-F237 PolarHBondContact O-N 3.3Å; Q235-F237 PolarHBondContact O-N 3.44Å; F237-A239 VanDerWaalsContact C-N 3.28Å; F237-A239 PolarHBondContact O-N 3.26Å; F237-S240 PolarHBondContact O-N 2.9Å
238N97.5Very high97.5Very high26 Ų2627.7 Ų27.714%0.13914%0.138CC..Hα-helixtrans-66.9-30.5-178.3-73.2-15.6000112.3K135 I136 I234 Q235 S240K135-N238 VanDerWaalsContact CA-OD1 3.24Å; K135-N238 WeakPolarHBondContact CA-OD1 3.28Å; K135-N238 VanDerWaalsContact CB-OD1 3.29Å; K135-N238 WeakPolarHBondContact CB-OD1 3.48Å; K135-N238 HydrophobicContact CD-CB 4.39Å; K135-N238 HydrophobicContact CG-CB 4.26Å; I136-N238 PolarHBondContact N-OD1 3.14Å; I136-N238 PolarHBondContact O-ND2 2.8Å; I234-N238 WeakPolarHBondContact O-CB 3.36Å; I234-N238 PolarHBondContact O-N 3.04Å; I234-N238 PolarHBondContact O-ND2 3.43Å; Q235-N238 PolarHBondContact O-N 2.72Å; N238-S240 VanDerWaalsContact C-N 3.27Å
239A95.3Very high97.3Very high26 Ų2624.4 Ų24.422%0.21514%0.136CC..THydrogen-bonded Turntrans-82.2-1.5172.500000113.5Q235 A236 F237 C241 H290 L292Q235-A239 WeakPolarHBondContact O-CB 3.45Å; Q235-A239 PolarHBondContact O-N 2.95Å; A236-A239 PolarHBondContact O-N 3.5Å; F237-A239 VanDerWaalsContact C-N 3.28Å; F237-A239 PolarHBondContact O-N 3.26Å; A239-C241 PolarHBondContact O-N 3.46Å; A239-H290 HydrophobicContact CB-CB 4.33Å; A239-L292 HydrophobicContact CB-CD1 4.09Å
240S94.9Very high97.2Very high0 Ų025 Ų250%014%0.14CC..THydrogen-bonded Turntrans51.937.2-171.2-680000113Y107 R208 A236 F237 N238 L242 W274 S275Y107-S240 PolarHBondContact OH-OG 3.24Å; R208-S240 PolarHBondContact NH1-OG 3.46Å; A236-S240 PolarHBondContact O-N 3.4Å; A236-S240 VanDerWaalsContact O-N 3.14Å; F237-S240 PolarHBondContact O-N 2.9Å; N238-S240 VanDerWaalsContact C-N 3.27Å; S240-L242 PolarHBondContact O-N 3.36Å; S240-W274 VanDerWaalsContact O-O 3.11Å; S240-S275 WeakPolarHBondContact O-CA 3.44Å
241C96.3Very high97.1Very high0 Ų027 Ų270%015%0.152CC..  trans-84.7106.4167.9-65.10000107.9A236 A239 M273 W274 V286 L287 H290A236-C241 HydrophobicContact CB-CB 4.31Å; A236-C241 PolarHBondContact O-N 3.37Å; A239-C241 PolarHBondContact O-N 3.46Å; C241-M273 HydrophobicContact CB-CE 3.65Å; C241-M273 WeakPolarHBondContact O-CE 3.5Å; C241-W274 WeakPolarHBondContact CA-O 3.41Å; C241-V286 HydrophobicContact CB-CG1 4.24Å; C241-L287 HydrophobicContact CB-CD2 4.47Å; C241-H290 VanDerWaalsContact SG-CG 3.53Å
242L97.3Very high96.9Very high0 Ų024.4 Ų24.40%014%0.14CC..EExtended strand (participates in β ladder)trans-120.2121.3-167.2-55.1176.7000111.3P204 T207 R208 L211 S240 M273 W274P204-L242 HydrophobicContact CB-CD1 3.8Å; P204-L242 VanDerWaalsContact O-CD1 3.24Å; P204-L242 WeakPolarHBondContact O-CD1 3.42Å; T207-L242 HydrophobicContact CG2-CB 3.76Å; T207-L242 HydrophobicContact CG2-CD2 4.48Å; R208-L242 HydrophobicContact CB-CD2 4.4Å; R208-L242 HydrophobicContact CG-CD1 3.63Å; R208-L242 HydrophobicContact CG-CD2 3.42Å; R208-L242 VanDerWaalsContact CG-CD2 3.42Å; R208-L242 HydrophobicContact CG-CG 4.14Å; L211-L242 HydrophobicContact CD2-CD2 4.48Å; S240-L242 PolarHBondContact O-N 3.36Å; L242-M273 CarbonylContact O-C 3.51Å; L242-M273 WeakPolarHBondContact O-CA 3.48Å; L242-M273 WeakPolarHBondContact O-CB 3.43Å; L242-W274 HydrophobicContact CB-CB 4.49Å; L242-W274 HydrophobicContact CD1-CE3 3.65Å; L242-W274 HydrophobicContact CD1-CZ3 4.07Å; L242-W274 HydrophobicContact CG-CE3 4.18Å; L242-W274 PolarHBondContact N-O 3.26Å; L242-W274 PolarHBondContact O-N 3.34Å
243S98.1Very high95.8Very high1 Ų123.3 Ų23.31%0.00713%0.131CC..EExtended strand (participates in β ladder)trans-59.4149.3178.2-48.90000113.3T207 V245 H262 L263 G266T207-S243 WeakPolarHBondContact CG2-O 3.39Å; S243-V245 PolarHBondContact O-N 3.39Å; S243-H262 WeakPolarHBondContact CB-O 3.34Å; S243-L263 WeakPolarHBondContact CB-O 3.2Å; S243-L263 PolarHBondContact OG-O 3.35Å; S243-G266 WeakPolarHBondContact OG-CA 3.49Å
244F97.3Very high94.8Very high61 Ų6124 Ų2427%0.26814%0.136SC..  trans-69.1115.1167.1-179.1-87.3000108.8P201 P246 H262 K272 W280P201-F244 HydrophobicContact CB-CD2 3.75Å; P201-F244 HydrophobicContact CB-CE2 3.51Å; P201-F244 HydrophobicContact CB-CG 4.48Å; P201-F244 HydrophobicContact CB-CZ 4.06Å; P201-F244 HydrophobicContact CG-CD2 4.26Å; P201-F244 HydrophobicContact CG-CE2 3.69Å; P201-F244 HydrophobicContact CG-CZ 4.35Å; F244-P246 HydrophobicContact CD1-CG 4.24Å; F244-P246 HydrophobicContact CE1-CG 3.83Å; F244-H262 WeakPolarHBondContact O-CB 3.36Å; F244-K272 HydrophobicContact CB-CB 3.83Å; F244-K272 WeakPolarHBondContact CB-O 3.11Å; F244-K272 HydrophobicContact CG-CB 4.38Å; F244-K272 PolarHBondContact N-O 2.92Å; F244-W280 VanDerWaalsContact CA-CZ3 3.42Å; F244-W280 HydrophobicContact CB-CE3 4.24Å; F244-W280 HydrophobicContact CB-CH2 4.32Å; F244-W280 HydrophobicContact CB-CZ3 3.63Å; F244-W280 HydrophobicContact CD2-CE3 4.06Å; F244-W280 HydrophobicContact CD2-CH2 4.19Å; F244-W280 AromaticContact CD2-CZ3 3.89Å; F244-W280 HydrophobicContact CD2-CZ3 3.89Å; F244-W280 HydrophobicContact CG-CZ3 4.24Å
245V98.2Very high93.9Very high0 Ų024 Ų240%014%0.136CC..  trans-122.7109.9-178.5179.30000108.9P201 L202 T207 L210 S243 P259 H262 L263P201-V245 CarbonylContact C-O 3.59Å; P201-V245 VanDerWaalsContact CA-O 3.28Å; P201-V245 WeakPolarHBondContact CA-O 3.39Å; L202-V245 HydrophobicContact CD1-CB 4Å; L202-V245 HydrophobicContact CD1-CG1 3.68Å; L202-V245 HydrophobicContact CG-CB 4.19Å; L202-V245 HydrophobicContact CG-CG1 4.1Å; L202-V245 WeakPolarHBondContact CG-O 3.39Å; L202-V245 PolarHBondContact N-O 3.14Å; T207-V245 HydrophobicContact CG2-CG2 4.27Å; L210-V245 HydrophobicContact CD2-CG1 3.92Å; L210-V245 HydrophobicContact CD2-CG2 4.23Å; S243-V245 PolarHBondContact O-N 3.39Å; V245-P259 HydrophobicContact CG1-CB 3.83Å; V245-P259 WeakPolarHBondContact CG1-O 3.13Å; V245-H262 HydrophobicContact CG2-CB 4.41Å; V245-L263 HydrophobicContact CG2-CB 4.07Å; V245-L263 HydrophobicContact CG2-CD1 4.38Å
246P96.7Very high93.7Very high3 Ų319.1 Ų19.12%0.01911%0.114CC..EExtended strand (participates in β ladder)trans-66.7144.3174.5-16.528.5000112.3L198 F244 K248 H262L198-P246 VanDerWaalsContact O-CB 3.22Å; L198-P246 WeakPolarHBondContact O-CB 3.42Å; F244-P246 HydrophobicContact CD1-CG 4.24Å; F244-P246 HydrophobicContact CE1-CG 3.83Å; P246-K248 PolarHBondContact O-N 3.16Å; P246-H262 VanDerWaalsContact CD-CD2 3.47Å; P246-H262 WeakPolarHBondContact CD-CD2 3.16Å
247E95.1Very high93.6Very high48 Ų4820.5 Ų20.522%0.22412%0.121CC..EExtended strand (participates in β ladder)trans-76.6-11.9-176.762.3152.9-131.900115.6N200 L202 R540N200-E247 WeakPolarHBondContact O-CG 3.26Å; N200-E247 PolarHBondContact O-N 2.65Å; L202-E247 HydrophobicContact CD2-CB 3.97Å; E247-R540 WeakPolarHBondContact O-CD 3.2Å; E247-R540 PolarHBondContact O-NE 3.23Å; E247-R540 IonicContact OE1-NH1 2.76Å; E247-R540 PolarHBondContact OE1-NH1 2.87Å
248K96.4Very high93.6Very high101 Ų10120.9 Ų20.944%0.43912%0.124SC..EExtended strand (participates in β ladder)trans-117148.1-179.1-60.8166.6-172.51790111.5G197 L198 P246G197-K248 CarbonylContact C-O 3.56Å; G197-K248 WeakPolarHBondContact CA-O 3.46Å; L198-K248 PolarHBondContact N-O 2.78Å; L198-K248 WeakPolarHBondContact O-CA 3.41Å; L198-K248 VanDerWaalsContact O-CB 3.25Å; L198-K248 WeakPolarHBondContact O-CB 3.49Å; L198-K248 PolarHBondContact O-N 2.92Å; P246-K248 PolarHBondContact O-N 3.16Å
249G95.2Very high93.6Very high52 Ų5219.7 Ų19.754%0.53612%0.118SC..  trans133.6-14.8171.600000115
250T96.2Very high93.7Very high21 Ų2118.4 Ų18.413%0.12911%0.107CC..  trans-83.7139.5173.7176.70000111.9G252 D256 P259T250-G252 PolarHBondContact OG1-N 2.82Å; T250-D256 WeakPolarHBondContact CB-OD1 3.5Å; T250-D256 WeakPolarHBondContact CG2-OD1 3.32Å; T250-D256 WeakPolarHBondContact OG1-CA 3.5Å; T250-D256 PolarHBondContact OG1-OD1 3.48Å; T250-P259 HydrophobicContact CG2-CG 4.08Å
251V96.3Very high93.9Very high41 Ų4118.4 Ų18.425%0.24811%0.107CC..  trans-105.3-2.2167-63.30000112.3A253 V532 S533 M534V251-A253 HydrophobicContact CG2-CB 3.9Å; V251-V532 HydrophobicContact CB-CB 4.09Å; V251-V532 HydrophobicContact CB-CG1 4.32Å; V251-V532 HydrophobicContact CB-CG2 4.13Å; V251-V532 HydrophobicContact CG2-CB 4.2Å; V251-V532 HydrophobicContact CG2-CG1 3.99Å; V251-S533 PolarHBondContact O-N 3.32Å; V251-M534 HydrophobicContact CB-SD 4.18Å; V251-M534 HydrophobicContact CG1-SD 4.22Å; V251-M534 WeakPolarHBondContact O-CA 3.15Å; V251-M534 PolarHBondContact O-N 2.89Å
252G92.8Very high94Very high0 Ų019.7 Ų19.70%011%0.113CC..SBendtrans64.237.9177.800000114.8T250 G446 S533T250-G252 PolarHBondContact OG1-N 2.82Å; G252-G446 PolarHBondContact O-N 3.38Å; G252-S533 WeakPolarHBondContact CA-OG 3.43Å; G252-S533 PolarHBondContact O-OG 3.19Å
253A77.1Confident94.1Very high4 Ų419.8 Ų19.83%0.03311%0.114CC..SBendtrans-116.2-57.7-171.300000114.6V251 G255 F444 V532V251-A253 HydrophobicContact CG2-CB 3.9Å; A253-G255 VanDerWaalsContact C-N 3.28Å; A253-F444 WeakPolarHBondContact O-CD2 3.42Å; A253-F444 WeakPolarHBondContact O-CE2 3.36Å; A253-V532 HydrophobicContact CB-CB 3.55Å; A253-V532 HydrophobicContact CB-CG1 3.27Å
254S77.4Confident94.1Very high15 Ų1519.9 Ų19.911%0.10511%0.114CC..SBendtrans-101.835.5168.9-178.70000110.1L257 N307 E529S254-L257 WeakPolarHBondContact O-CD2 2.98Å; S254-L257 WeakPolarHBondContact O-CG 3.31Å; S254-N307 PolarHBondContact O-OD1 3.45Å; S254-E529 WeakPolarHBondContact CB-OE1 3.39Å
255G78.2Confident94.2Very high2 Ų218 Ų182%0.02111%0.107CC..SBendtrans86.7-179.2-167.800000114.1A253 L257 G308 F444A253-G255 VanDerWaalsContact C-N 3.28Å; G255-L257 PolarHBondContact O-N 3.48Å; G255-G308 CarbonylContact C-O 3.5Å; G255-G308 WeakPolarHBondContact CA-O 3.42Å; G255-F444 PolarHBondContact N-O 3.23Å
256D95.1Very high94.2Very high0 Ų018.1 Ų18.10%011%0.108CC..SBendtrans-80.756.3175.9-64.7-47.6000110.9T250 A258 P259 L260 G308 T309 Q310 M311 I312T250-D256 WeakPolarHBondContact CB-OD1 3.5Å; T250-D256 WeakPolarHBondContact CG2-OD1 3.32Å; T250-D256 WeakPolarHBondContact OG1-CA 3.5Å; T250-D256 PolarHBondContact OG1-OD1 3.48Å; D256-A258 PolarHBondContact O-N 3.05Å; D256-P259 HydrophobicContact CB-CG 4.43Å; D256-P259 VanDerWaalsContact O-CD 3.26Å; D256-P259 WeakPolarHBondContact O-CD 3.41Å; D256-L260 HydrophobicContact CB-CD1 3.94Å; D256-L260 HydrophobicContact CB-CG 4.12Å; D256-L260 WeakPolarHBondContact O-CB 3.5Å; D256-L260 WeakPolarHBondContact O-CG 3.42Å; D256-L260 PolarHBondContact O-N 3.36Å; D256-G308 PolarHBondContact N-O 3.47Å; D256-T309 VanDerWaalsContact OD2-CA 3.28Å; D256-T309 WeakPolarHBondContact OD2-CA 3.42Å; D256-Q310 PolarHBondContact OD2-N 3.1Å; D256-M311 HydrophobicContact CB-CB 3.63Å; D256-M311 VanDerWaalsContact CG-CB 3.44Å; D256-M311 WeakPolarHBondContact OD2-CA 3.46Å; D256-M311 VanDerWaalsContact OD2-CB 3.26Å; D256-M311 WeakPolarHBondContact OD2-CB 3.35Å; D256-M311 PolarHBondContact OD2-N 3.41Å; D256-I312 WeakPolarHBondContact OD1-CG1 3.39Å; D256-I312 PolarHBondContact OD2-N 3.06Å; D256-I312 VanDerWaalsContact OD2-N 3.12Å
257L96.6Very high94.3Very high29 Ų2918.2 Ų18.215%0.15211%0.108CC..Hα-helixtrans-50.6-59.4-168.7-70174.2000112.3S254 G255 L260 S261 I306S254-L257 WeakPolarHBondContact O-CD2 2.98Å; S254-L257 WeakPolarHBondContact O-CG 3.31Å; G255-L257 PolarHBondContact O-N 3.48Å; L257-L260 PolarHBondContact O-N 2.91Å; L257-S261 WeakPolarHBondContact O-CB 3.47Å; L257-S261 PolarHBondContact O-N 3.47Å; L257-S261 PolarHBondContact O-OG 3.11Å; L257-I306 HydrophobicContact CD2-CB 4.48Å; L257-I306 HydrophobicContact CD2-CD1 3.87Å; L257-I306 HydrophobicContact CD2-CG1 3.83Å
258A97.4Very high94.4Very high9 Ų916.7 Ų16.77%0.07410%0.102CC..Hα-helixtrans-59.3-52.2-176.800000113.4H194 D256 L260 S261 H262H194-A258 VanDerWaalsContact O-CA 3.32Å; H194-A258 WeakPolarHBondContact O-CA 3.35Å; D256-A258 PolarHBondContact O-N 3.05Å; A258-L260 PolarHBondContact O-N 3.41Å; A258-S261 PolarHBondContact O-N 3.07Å; A258-H262 PolarHBondContact O-CD2 3.08Å; A258-H262 VanDerWaalsContact O-CD2 3.29Å; A258-H262 PolarHBondContact O-N 3.15Å; A258-H262 VanDerWaalsContact O-N 3.08Å
259P97.8Very high94.5Very high0 Ų012.5 Ų12.50%09%0.087CC..Hα-helixtrans-57.7-44.9175.8-25.131.6000113.9V245 T250 D256 H262 L263 M311V245-P259 HydrophobicContact CG1-CB 3.83Å; V245-P259 WeakPolarHBondContact CG1-O 3.13Å; T250-P259 HydrophobicContact CG2-CG 4.08Å; D256-P259 HydrophobicContact CB-CG 4.43Å; D256-P259 VanDerWaalsContact O-CD 3.26Å; D256-P259 WeakPolarHBondContact O-CD 3.41Å; P259-H262 PolarHBondContact O-N 3.04Å; P259-L263 PolarHBondContact O-N 2.71Å; P259-M311 HydrophobicContact CB-CB 4.17Å; P259-M311 HydrophobicContact CB-CG 4.11Å; P259-M311 HydrophobicContact CB-SD 4.49Å; P259-M311 HydrophobicContact CG-CB 4.37Å; P259-M311 HydrophobicContact CG-CG 4.08Å
260L98.4Very high94.6Very high0 Ų012.9 Ų12.90%08%0.075CC..Hα-helixtrans-75.5-27.8-177.8-67.2170.2000112.9L210 D256 L257 A258 L263 A264 I306 Q310L210-L260 HydrophobicContact CD1-CD2 3.72Å; L210-L260 HydrophobicContact CD2-CD2 4.38Å; L210-L260 HydrophobicContact CG-CD2 4.09Å; D256-L260 HydrophobicContact CB-CD1 3.94Å; D256-L260 HydrophobicContact CB-CG 4.12Å; D256-L260 WeakPolarHBondContact O-CB 3.5Å; D256-L260 WeakPolarHBondContact O-CG 3.42Å; D256-L260 PolarHBondContact O-N 3.36Å; L257-L260 PolarHBondContact O-N 2.91Å; A258-L260 PolarHBondContact O-N 3.41Å; L260-L263 HydrophobicContact CD2-CD2 4.05Å; L260-L263 WeakPolarHBondContact O-CB 3.48Å; L260-L263 PolarHBondContact O-N 3.3Å; L260-A264 WeakPolarHBondContact O-CB 3.31Å; L260-A264 PolarHBondContact O-N 3.24Å; L260-I306 HydrophobicContact CB-CB 4.18Å; L260-I306 WeakPolarHBondContact CD1-O 3.31Å; L260-Q310 VanDerWaalsContact CD1-OE1 3.26Å; L260-Q310 HydrophobicContact CD2-CB 4.24Å
261S98.6Very high94.5Very high0 Ų014 Ų140%09%0.09CC..Hα-helixtrans-64.4-43.8169.1-69.10000111.2V191 H194 S195 L257 A258 L263 A264 L265 I306V191-S261 WeakPolarHBondContact CG1-O 3.14Å; H194-S261 WeakPolarHBondContact CB-OG 3.42Å; S195-S261 WeakPolarHBondContact OG-CB 3.38Å; S195-S261 PolarHBondContact OG-O 3.47Å; L257-S261 WeakPolarHBondContact O-CB 3.47Å; L257-S261 PolarHBondContact O-N 3.47Å; L257-S261 PolarHBondContact O-OG 3.11Å; A258-S261 PolarHBondContact O-N 3.07Å; S261-L263 VanDerWaalsContact C-N 3.3Å; S261-L263 PolarHBondContact O-N 2.93Å; S261-A264 PolarHBondContact O-N 3.26Å; S261-L265 VanDerWaalsContact O-CB 3.27Å; S261-L265 WeakPolarHBondContact O-CB 3.36Å; S261-L265 PolarHBondContact O-N 3.35Å; S261-I306 WeakPolarHBondContact OG-CD1 3.3Å; S261-I306 WeakPolarHBondContact OG-CG2 3.36Å
262H98.7Very high94.3Very high26 Ų2616.1 Ų16.112%0.1210%0.096CC..Hα-helixtrans-61.7-38.4172.2-87.8-76.8000112.1S195 G197 S243 F244 V245 P246 A258 P259 L265 G266S195-H262 PolarHBondContact O-CE1 2.98Å; S195-H262 PolarHBondContact O-NE2 3.15Å; S195-H262 VanDerWaalsContact O-NE2 3.08Å; S195-H262 PolarHBondContact OG-N 3.46Å; G197-H262 PolarHBondContact N-NE2 3.45Å; S243-H262 WeakPolarHBondContact CB-O 3.34Å; F244-H262 WeakPolarHBondContact O-CB 3.36Å; V245-H262 HydrophobicContact CG2-CB 4.41Å; P246-H262 VanDerWaalsContact CD-CD2 3.47Å; P246-H262 WeakPolarHBondContact CD-CD2 3.16Å; A258-H262 PolarHBondContact O-CD2 3.08Å; A258-H262 VanDerWaalsContact O-CD2 3.29Å; A258-H262 PolarHBondContact O-N 3.15Å; A258-H262 VanDerWaalsContact O-N 3.08Å; P259-H262 PolarHBondContact O-N 3.04Å; H262-L265 PolarHBondContact O-N 3.04Å; H262-G266 PolarHBondContact O-N 3.42Å
263L98.6Very high94.3Very high3 Ų316.1 Ų16.12%0.01610%0.096CC..Hα-helixtrans-58.9-49.8171.9-178.170.5000111.8T207 L210 L211 R214 S243 V245 P259 L260 S261T207-L263 HydrophobicContact CG2-CD1 4.26Å; L210-L263 HydrophobicContact CD2-CD2 4.42Å; L210-L263 HydrophobicContact CG-CD2 4.16Å; L211-L263 HydrophobicContact CB-CD1 4.14Å; L211-L263 HydrophobicContact CD1-CD1 4.3Å; L211-L263 HydrophobicContact CD1-CD2 4.22Å; R214-L263 HydrophobicContact CB-CD2 4.3Å; S243-L263 WeakPolarHBondContact CB-O 3.2Å; S243-L263 PolarHBondContact OG-O 3.35Å; V245-L263 HydrophobicContact CG2-CB 4.07Å; V245-L263 HydrophobicContact CG2-CD1 4.38Å; P259-L263 PolarHBondContact O-N 2.71Å; L260-L263 HydrophobicContact CD2-CD2 4.05Å; L260-L263 WeakPolarHBondContact O-CB 3.48Å; L260-L263 PolarHBondContact O-N 3.3Å; S261-L263 VanDerWaalsContact C-N 3.3Å; S261-L263 PolarHBondContact O-N 2.93Å
264A98.6Very high95.1Very high2 Ų216.7 Ų16.72%0.01710%0.098CC..Hα-helixtrans-66.8-35.4179.100000112.8V191 L260 S261 G266 L267 M268 L305 I306V191-A264 HydrophobicContact CG1-CB 3.87Å; V191-A264 HydrophobicContact CG2-CB 4.13Å; L260-A264 WeakPolarHBondContact O-CB 3.31Å; L260-A264 PolarHBondContact O-N 3.24Å; S261-A264 PolarHBondContact O-N 3.26Å; A264-G266 PolarHBondContact O-N 2.8Å; A264-L267 WeakPolarHBondContact O-CB 3.45Å; A264-L267 PolarHBondContact O-N 3.25Å; A264-L267 VanDerWaalsContact O-N 3.16Å; A264-M268 WeakPolarHBondContact O-CG 3.1Å; A264-M268 PolarHBondContact O-N 3Å; A264-L305 HydrophobicContact CB-CB 4.01Å; A264-L305 HydrophobicContact CB-CD1 4.17Å; A264-I306 HydrophobicContact CB-CG2 4.21Å
265L98.6Very high95.6Very high23 Ų2316 Ų1612%0.129%0.093CC..Hα-helixtrans-60-46.3-179.6-170.472.8000111.4V191 R192 S261 H262 L267 M268 G269 E270V191-L265 HydrophobicContact CG1-CB 4.08Å; V191-L265 HydrophobicContact CG1-CD1 4.21Å; R192-L265 HydrophobicContact CG-CD1 4.09Å; S261-L265 VanDerWaalsContact O-CB 3.27Å; S261-L265 WeakPolarHBondContact O-CB 3.36Å; S261-L265 PolarHBondContact O-N 3.35Å; H262-L265 PolarHBondContact O-N 3.04Å; L265-L267 VanDerWaalsContact C-N 3.33Å; L265-L267 PolarHBondContact O-N 3.46Å; L265-M268 CarbonylContact O-C 3.38Å; L265-M268 WeakPolarHBondContact O-CA 3.39Å; L265-M268 WeakPolarHBondContact O-CB 3.47Å; L265-M268 PolarHBondContact O-N 3.47Å; L265-M268 VanDerWaalsContact O-N 3.1Å; L265-G269 PolarHBondContact O-N 3.38Å; L265-E270 CarbonylContact C-O 3.52Å; L265-E270 VanDerWaalsContact C-O 3.28Å; L265-E270 HydrophobicContact CD1-CB 3.6Å; L265-E270 HydrophobicContact CD1-CG 4.45Å; L265-E270 HydrophobicContact CG-CB 3.73Å; L265-E270 PolarHBondContact O-N 3.41Å; L265-E270 VanDerWaalsContact O-O 3.04Å
266G98.1Very high95.9Very high2 Ų216.8 Ų16.82%0.02110%0.097CC..Hα-helixtrans-59.9-41.6174.300000112.7S243 H262 A264 M268 G269 E270S243-G266 WeakPolarHBondContact OG-CA 3.49Å; H262-G266 PolarHBondContact O-N 3.42Å; A264-G266 PolarHBondContact O-N 2.8Å; G266-M268 VanDerWaalsContact C-N 3.25Å; G266-M268 PolarHBondContact O-N 3.2Å; G266-G269 WeakPolarHBondContact O-CA 3.21Å; G266-G269 PolarHBondContact O-N 3.48Å; G266-E270 VanDerWaalsContact CA-O 3.28Å; G266-E270 WeakPolarHBondContact CA-O 3.37Å; G266-E270 PolarHBondContact N-O 2.88Å
267L98.5Very high95.2Very high4 Ų422.5 Ų22.52%0.02112%0.122CC..Hα-helixtrans-66.6-26.9176.6-64.9167000112.9L211 M233 A236 A264 L265 G269 P294 I295L211-L267 HydrophobicContact CD1-CD1 4.26Å; M233-L267 HydrophobicContact CE-CD1 4.32Å; M233-L267 HydrophobicContact CG-CD1 3.95Å; A236-L267 HydrophobicContact CB-CD2 3.62Å; A264-L267 WeakPolarHBondContact O-CB 3.45Å; A264-L267 PolarHBondContact O-N 3.25Å; A264-L267 VanDerWaalsContact O-N 3.16Å; L265-L267 VanDerWaalsContact C-N 3.33Å; L265-L267 PolarHBondContact O-N 3.46Å; L267-G269 PolarHBondContact O-N 3.45Å; L267-P294 WeakPolarHBondContact O-CA 3.31Å; L267-I295 HydrophobicContact CB-CD1 3.79Å; L267-I295 HydrophobicContact CB-CG1 4.2Å; L267-I295 PolarHBondContact O-N 3.1Å
268M98.5Very high94.3Very high17 Ų1721.1 Ų21.18%0.08412%0.115CC..THydrogen-bonded Turntrans-76.22.2169.7-69171.550.200113E188 V191 A264 L265 G266 E270 P294 I295 L297E188-M268 HydrophobicContact CB-CE 3.9Å; E188-M268 HydrophobicContact CG-CE 3.89Å; V191-M268 HydrophobicContact CB-SD 3.82Å; V191-M268 HydrophobicContact CG1-SD 3.69Å; V191-M268 HydrophobicContact CG2-SD 4.02Å; A264-M268 WeakPolarHBondContact O-CG 3.1Å; A264-M268 PolarHBondContact O-N 3Å; L265-M268 CarbonylContact O-C 3.38Å; L265-M268 WeakPolarHBondContact O-CA 3.39Å; L265-M268 WeakPolarHBondContact O-CB 3.47Å; L265-M268 PolarHBondContact O-N 3.47Å; L265-M268 VanDerWaalsContact O-N 3.1Å; G266-M268 VanDerWaalsContact C-N 3.25Å; G266-M268 PolarHBondContact O-N 3.2Å; M268-E270 VanDerWaalsContact C-N 3.26Å; M268-E270 PolarHBondContact O-N 3.5Å; M268-P294 WeakPolarHBondContact O-CB 3.48Å; M268-I295 HydrophobicContact CG-CD1 4.36Å; M268-I295 HydrophobicContact CG-CG1 3.9Å; M268-L297 HydrophobicContact SD-CD1 3.84Å; M268-L297 HydrophobicContact SD-CG 4.45Å
269G97.6Very high93.6Very high13 Ų1321.3 Ų21.313%0.13412%0.118CC..THydrogen-bonded Turntrans74.316.1-177.800000113.7L265 G266 L267 K284L265-G269 PolarHBondContact O-N 3.38Å; G266-G269 WeakPolarHBondContact O-CA 3.21Å; G266-G269 PolarHBondContact O-N 3.48Å; L267-G269 PolarHBondContact O-N 3.45Å; G269-K284 WeakPolarHBondContact O-CB 3.39Å; G269-K284 PolarHBondContact O-N 3.35Å
270E97.8Very high92.8Very high60 Ų6024.7 Ų24.728%0.2813%0.131SC..  trans-107.9152.9178.2-67.2179.2-141.400110.6R192 L265 G266 M268 A283R192-E270 WeakPolarHBondContact CG-OE2 3.38Å; R192-E270 IonicContact CZ-OE1 3.28Å; R192-E270 VanDerWaalsContact CZ-OE1 3.28Å; R192-E270 IonicContact CZ-OE2 3.95Å; R192-E270 IonicContact NE-OE1 3.02Å; R192-E270 PolarHBondContact NE-OE1 3.48Å; R192-E270 IonicContact NE-OE2 2.96Å; R192-E270 PolarHBondContact NE-OE2 2.96Å; R192-E270 IonicContact NH2-OE1 2.71Å; R192-E270 PolarHBondContact NH2-OE1 3.05Å; L265-E270 CarbonylContact C-O 3.52Å; L265-E270 VanDerWaalsContact C-O 3.28Å; L265-E270 HydrophobicContact CD1-CB 3.6Å; L265-E270 HydrophobicContact CD1-CG 4.45Å; L265-E270 HydrophobicContact CG-CB 3.73Å; L265-E270 PolarHBondContact O-N 3.41Å; L265-E270 VanDerWaalsContact O-O 3.04Å; G266-E270 VanDerWaalsContact CA-O 3.28Å; G266-E270 WeakPolarHBondContact CA-O 3.37Å; G266-E270 PolarHBondContact N-O 2.88Å; M268-E270 VanDerWaalsContact C-N 3.26Å; M268-E270 PolarHBondContact O-N 3.5Å; E270-A283 WeakPolarHBondContact O-CB 3.46Å
271G94.6Very high92Very high44 Ų4424.7 Ų24.745%0.45413%0.131SC..SBendtrans70.3-151.3-175.500000113A283G271-A283 WeakPolarHBondContact O-CB 3.32Å; G271-A283 PolarHBondContact O-N 3.35Å
272K92Very high91.5Very high85 Ų8526.8 Ų26.837%0.3714%0.142SC..EExtended strand (participates in β ladder)trans-109151.6-176.8-64.2-178.2-178.3-176.40111.4F244 A281F244-K272 HydrophobicContact CB-CB 3.83Å; F244-K272 WeakPolarHBondContact CB-O 3.11Å; F244-K272 HydrophobicContact CG-CB 4.38Å; F244-K272 PolarHBondContact N-O 2.92Å; K272-A281 CarbonylContact C-O 3.53Å; K272-A281 VanDerWaalsContact CA-O 3.26Å; K272-A281 WeakPolarHBondContact CA-O 3.44Å
273M92.4Very high91.2Very high0 Ų025.6 Ų25.60%014%0.137CC..EExtended strand (participates in β ladder)trans-134.3150.6168.9-71.7-179.89000110.5C241 L242 W280 A281 A283 V286 L287C241-M273 HydrophobicContact CB-CE 3.65Å; C241-M273 WeakPolarHBondContact O-CE 3.5Å; L242-M273 CarbonylContact O-C 3.51Å; L242-M273 WeakPolarHBondContact O-CA 3.48Å; L242-M273 WeakPolarHBondContact O-CB 3.43Å; M273-W280 CarbonylContact O-C 3.51Å; M273-W280 WeakPolarHBondContact O-CA 3.39Å; M273-A281 PolarHBondContact N-O 2.88Å; M273-A281 PolarHBondContact O-N 3.45Å; M273-A281 VanDerWaalsContact O-O 3.08Å; M273-A283 HydrophobicContact CB-CB 4.3Å; M273-A283 HydrophobicContact CG-CB 3.54Å; M273-A283 HydrophobicContact SD-CB 3.75Å; M273-V286 HydrophobicContact CB-CB 3.98Å; M273-V286 HydrophobicContact CB-CG1 3.96Å; M273-V286 HydrophobicContact CB-CG2 4.04Å; M273-L287 HydrophobicContact CE-CD2 4.21Å; M273-L287 HydrophobicContact SD-CD1 4.28Å; M273-L287 HydrophobicContact SD-CD2 4.06Å; M273-L287 HydrophobicContact SD-CG 3.88Å
274W93.6Very high91Very high17 Ų1730.9 Ų30.96%0.06416%0.16CC..EExtended strand (participates in β ladder)trans-97.6143.1168.2-176.990.9000110.1I103 P204 S240 C241 L242 P276 G279 W280I103-W274 HydrophobicContact CB-CH2 4.4Å; I103-W274 HydrophobicContact CG2-CH2 3.03Å; I103-W274 HydrophobicContact CG2-CZ2 3.77Å; I103-W274 HydrophobicContact CG2-CZ3 3.56Å; P204-W274 HydrophobicContact CB-CD2 4.13Å; P204-W274 HydrophobicContact CB-CE3 3.98Å; P204-W274 HydrophobicContact CB-CZ3 4.21Å; P204-W274 HydrophobicContact CG-CD2 3.84Å; P204-W274 HydrophobicContact CG-CE3 4.22Å; P204-W274 HydrophobicContact CG-CG 4.18Å; P204-W274 HydrophobicContact CG-CZ2 4.44Å; S240-W274 VanDerWaalsContact O-O 3.11Å; C241-W274 WeakPolarHBondContact CA-O 3.41Å; L242-W274 HydrophobicContact CB-CB 4.49Å; L242-W274 HydrophobicContact CD1-CE3 3.65Å; L242-W274 HydrophobicContact CD1-CZ3 4.07Å; L242-W274 HydrophobicContact CG-CE3 4.18Å; L242-W274 PolarHBondContact N-O 3.26Å; L242-W274 PolarHBondContact O-N 3.34Å; W274-P276 HydrophobicContact CH2-CB 4.05Å; W274-P276 HydrophobicContact CH2-CG 3.66Å; W274-P276 VanDerWaalsContact CH2-N 3.25Å; W274-P276 VanDerWaalsContact CZ3-CD 3.48Å; W274-P276 HydrophobicContact CZ3-CG 3.9Å; W274-G279 VanDerWaalsContact CA-O 3.27Å; W274-G279 WeakPolarHBondContact CA-O 3.25Å; W274-W280 HydrophobicContact CB-CD2 3.74Å; W274-W280 HydrophobicContact CB-CE3 3.63Å; W274-W280 HydrophobicContact CB-CG 4.42Å; W274-W280 HydrophobicContact CB-CH2 3.87Å; W274-W280 HydrophobicContact CB-CZ2 3.99Å; W274-W280 HydrophobicContact CB-CZ3 3.67Å; W274-W280 AromaticContact CD1-CD1 3.91Å; W274-W280 AromaticContact CD1-CE2 3.99Å; W274-W280 AromaticContact CD1-NE1 3.86Å; W274-W280 HydrophobicContact CG-CD2 4.33Å
275S88.9Confident90.5Very high0 Ų033.3 Ų33.30%017%0.169CC..EExtended strand (participates in β ladder)trans-143.8163.5160.8105.50000111.8S240 K277 S278 G279 H290S240-S275 WeakPolarHBondContact O-CA 3.44Å; S275-K277 PolarHBondContact O-N 2.9Å; S275-K277 PolarHBondContact OG-N 2.86Å; S275-K277 VanDerWaalsContact OG-N 3.09Å; S275-S278 PolarHBondContact N-OG 3.07Å; S275-S278 PolarHBondContact O-N 3.45Å; S275-S278 PolarHBondContact OG-N 3.49Å; S275-S278 PolarHBondContact OG-OG 3.22Å; S275-G279 PolarHBondContact N-O 3.21Å; S275-G279 VanDerWaalsContact N-O 3.11Å; S275-G279 WeakPolarHBondContact O-CA 3.48Å; S275-G279 PolarHBondContact O-N 2.93Å; S275-H290 PolarHBondContact OG-CE1 3.46Å; S275-H290 PolarHBondContact OG-NE2 3.46Å
276P82.7Confident90Very high18 Ų1832.2 Ų32.212%0.11716%0.163CC..THydrogen-bonded Turntrans-57.5-32.6175.3-20.730.5000112.8Q59 Y107 W274Q59-P276 PolarHBondContact NE2-O 2.95Å; Q59-P276 VanDerWaalsContact NE2-O 3.14Å; Q59-P276 PolarHBondContact OE1-O 3.34Å; Y107-P276 HydrophobicContact CD1-CB 3.74Å; Y107-P276 HydrophobicContact CD1-CG 3.58Å; Y107-P276 HydrophobicContact CE1-CB 4.15Å; Y107-P276 HydrophobicContact CE1-CG 3.54Å; Y107-P276 HydrophobicContact CG-CB 4.35Å; Y107-P276 HydrophobicContact CG-CG 4.16Å; W274-P276 HydrophobicContact CH2-CB 4.05Å; W274-P276 HydrophobicContact CH2-CG 3.66Å; W274-P276 VanDerWaalsContact CH2-N 3.25Å; W274-P276 VanDerWaalsContact CZ3-CD 3.48Å; W274-P276 HydrophobicContact CZ3-CG 3.9Å
277K80.6Confident89.8Confident120 Ų12032.3 Ų32.352%0.52216%0.163SC..THydrogen-bonded Turntrans-79.9-41.3-179.5-62.5-170.6178.2-170.60112.9S275S275-K277 PolarHBondContact O-N 2.9Å; S275-K277 PolarHBondContact OG-N 2.86Å; S275-K277 VanDerWaalsContact OG-N 3.09Å
278S78.1Confident89.5Confident0 Ų036.2 Ų36.20%018%0.181CC..THydrogen-bonded Turntrans-98.4-19.9-169.360.10000114.6C58 F79 S275 V286C58-S278 VanDerWaalsContact CB-O 3.29Å; C58-S278 WeakPolarHBondContact CB-O 3.5Å; F79-S278 VanDerWaalsContact CD2-CB 3.42Å; F79-S278 VanDerWaalsContact CE2-CB 3.5Å; F79-S278 VanDerWaalsContact CG-CB 3.46Å; S275-S278 PolarHBondContact N-OG 3.07Å; S275-S278 PolarHBondContact O-N 3.45Å; S275-S278 PolarHBondContact OG-N 3.49Å; S275-S278 PolarHBondContact OG-OG 3.22Å; S278-V286 WeakPolarHBondContact OG-CG2 3.16Å
279G82.5Confident89Confident14 Ų1436.2 Ų36.214%0.14418%0.184CC..EExtended strand (participates in β ladder)trans59.4-151.5-154.600000110.2W274 S275 A281W274-G279 VanDerWaalsContact CA-O 3.27Å; W274-G279 WeakPolarHBondContact CA-O 3.25Å; S275-G279 PolarHBondContact N-O 3.21Å; S275-G279 VanDerWaalsContact N-O 3.11Å; S275-G279 WeakPolarHBondContact O-CA 3.48Å; S275-G279 PolarHBondContact O-N 2.93Å; G279-A281 PolarHBondContact O-N 2.96Å
280W81Confident88.7Confident70 Ų7037.5 Ų37.527%0.26519%0.186SC..EExtended strand (participates in β ladder)trans-76114.6174.9-72.3109.2000111.1W12 P201 F244 M273 W274W12-W280 WeakPolarHBondContact CZ2-O 3.24Å; P201-W280 HydrophobicContact CB-CH2 4.17Å; P201-W280 HydrophobicContact CB-CZ2 3.95Å; P201-W280 HydrophobicContact CG-CZ2 4.25Å; F244-W280 VanDerWaalsContact CA-CZ3 3.42Å; F244-W280 HydrophobicContact CB-CE3 4.24Å; F244-W280 HydrophobicContact CB-CH2 4.32Å; F244-W280 HydrophobicContact CB-CZ3 3.63Å; F244-W280 HydrophobicContact CD2-CE3 4.06Å; F244-W280 HydrophobicContact CD2-CH2 4.19Å; F244-W280 AromaticContact CD2-CZ3 3.89Å; F244-W280 HydrophobicContact CD2-CZ3 3.89Å; F244-W280 HydrophobicContact CG-CZ3 4.24Å; M273-W280 CarbonylContact O-C 3.51Å; M273-W280 WeakPolarHBondContact O-CA 3.39Å; W274-W280 HydrophobicContact CB-CD2 3.74Å; W274-W280 HydrophobicContact CB-CE3 3.63Å; W274-W280 HydrophobicContact CB-CG 4.42Å; W274-W280 HydrophobicContact CB-CH2 3.87Å; W274-W280 HydrophobicContact CB-CZ2 3.99Å; W274-W280 HydrophobicContact CB-CZ3 3.67Å; W274-W280 AromaticContact CD1-CD1 3.91Å; W274-W280 AromaticContact CD1-CE2 3.99Å; W274-W280 AromaticContact CD1-NE1 3.86Å; W274-W280 HydrophobicContact CG-CD2 4.33Å
281A82.4Confident88.6Confident0 Ų038 Ų380%021%0.207CC..EExtended strand (participates in β ladder)trans-140.7175.8175.800000112.2W12 F79 K272 M273 G279 A283 V286W12-A281 HydrophobicContact CD2-CB 3.87Å; W12-A281 VanDerWaalsContact CE2-CA 3.5Å; W12-A281 VanDerWaalsContact CE2-CB 3.45Å; W12-A281 HydrophobicContact CE3-CB 4.31Å; W12-A281 HydrophobicContact CG-CB 4.44Å; W12-A281 HydrophobicContact CH2-CB 3.9Å; W12-A281 HydrophobicContact CZ2-CB 3.51Å; W12-A281 HydrophobicContact CZ3-CB 4.31Å; F79-A281 HydrophobicContact CD1-CB 3.84Å; F79-A281 HydrophobicContact CE1-CB 3.77Å; K272-A281 CarbonylContact C-O 3.53Å; K272-A281 VanDerWaalsContact CA-O 3.26Å; K272-A281 WeakPolarHBondContact CA-O 3.44Å; M273-A281 PolarHBondContact N-O 2.88Å; M273-A281 PolarHBondContact O-N 3.45Å; M273-A281 VanDerWaalsContact O-O 3.08Å; G279-A281 PolarHBondContact O-N 2.96Å; A281-A283 PolarHBondContact O-N 2.96Å; A281-V286 HydrophobicContact CB-CG2 3.76Å
282D87.4Confident88.7Confident45 Ų4537.1 Ų37.124%0.24119%0.192CC..EExtended strand (participates in β ladder)trans-61.1131.7176-70.2-18.6000111.1K284 Y285 V286D282-K284 VanDerWaalsContact C-N 3.26Å; D282-K284 PolarHBondContact O-N 3.05Å; D282-K284 VanDerWaalsContact O-N 3.14Å; D282-Y285 HydrophobicContact CB-CD2 3.87Å; D282-Y285 HydrophobicContact CB-CE2 4.4Å; D282-Y285 PolarHBondContact O-N 3.42Å; D282-V286 PolarHBondContact O-N 2.9Å; D282-V286 VanDerWaalsContact O-N 3.11Å
283A93.2Very high88.9Confident0 Ų041.6 Ų41.60%021%0.211CC..Hα-helixtrans-52.8-42.2-171.200000113.1E270 G271 M273 A281 Y285 V286 L287E270-A283 WeakPolarHBondContact O-CB 3.46Å; G271-A283 WeakPolarHBondContact O-CB 3.32Å; G271-A283 PolarHBondContact O-N 3.35Å; M273-A283 HydrophobicContact CB-CB 4.3Å; M273-A283 HydrophobicContact CG-CB 3.54Å; M273-A283 HydrophobicContact SD-CB 3.75Å; A281-A283 PolarHBondContact O-N 2.96Å; A283-Y285 PolarHBondContact O-N 2.91Å; A283-V286 PolarHBondContact O-N 3.3Å; A283-L287 WeakPolarHBondContact O-CG 3.43Å; A283-L287 PolarHBondContact O-N 3.44Å
284K93.6Very high89.2Confident115 Ų11544.7 Ų44.750%0.523%0.232SC..Hα-helixtrans-54-48.1176.3-179.7-178174.6-175.30112.8G269 D282 E288G269-K284 WeakPolarHBondContact O-CB 3.39Å; G269-K284 PolarHBondContact O-N 3.35Å; D282-K284 VanDerWaalsContact C-N 3.26Å; D282-K284 PolarHBondContact O-N 3.05Å; D282-K284 VanDerWaalsContact O-N 3.14Å; K284-E288 WeakPolarHBondContact O-CB 3.42Å; K284-E288 PolarHBondContact O-N 2.86Å
285Y88.3Confident89.3Confident52 Ų5244.8 Ų44.820%0.20423%0.233CC..Hα-helixtrans-75-35.4-176.9-63-54000111.5T5 W12 A14 D282 A283 E288 A289T5-Y285 HydrophobicContact CG2-CD2 4Å; T5-Y285 HydrophobicContact CG2-CG 4.1Å; W12-Y285 HydrophobicContact CB-CD2 4.05Å; W12-Y285 HydrophobicContact CB-CE2 4.17Å; A14-Y285 HydrophobicContact CB-CE1 4.04Å; D282-Y285 HydrophobicContact CB-CD2 3.87Å; D282-Y285 HydrophobicContact CB-CE2 4.4Å; D282-Y285 PolarHBondContact O-N 3.42Å; A283-Y285 PolarHBondContact O-N 2.91Å; Y285-E288 PolarHBondContact O-N 3Å; Y285-A289 VanDerWaalsContact O-CB 3.31Å; Y285-A289 WeakPolarHBondContact O-CB 3.45Å; Y285-A289 PolarHBondContact O-N 3.47Å
286V88.6Confident89.6Confident0 Ų047.8 Ų47.80%025%0.254CS..Hα-helixtrans-59.8-47.4173.3177.60000110.7C241 M273 S278 A281 D282 A283 A289 H290C241-V286 HydrophobicContact CB-CG1 4.24Å; M273-V286 HydrophobicContact CB-CB 3.98Å; M273-V286 HydrophobicContact CB-CG1 3.96Å; M273-V286 HydrophobicContact CB-CG2 4.04Å; S278-V286 WeakPolarHBondContact OG-CG2 3.16Å; A281-V286 HydrophobicContact CB-CG2 3.76Å; D282-V286 PolarHBondContact O-N 2.9Å; D282-V286 VanDerWaalsContact O-N 3.11Å; A283-V286 PolarHBondContact O-N 3.3Å; V286-A289 PolarHBondContact O-N 3.08Å; V286-H290 PolarHBondContact O-N 3.35Å; V286-H290 PolarHBondContact O-ND1 2.85Å
287L93.4Very high90.2Very high4 Ų447.1 Ų47.12%0.02125%0.25CC..Hα-helixtrans-62.6-47.5176.8-68.7172000111.7C241 M273 A283 A289 H290 G291 L292 P294C241-L287 HydrophobicContact CB-CD2 4.47Å; M273-L287 HydrophobicContact CE-CD2 4.21Å; M273-L287 HydrophobicContact SD-CD1 4.28Å; M273-L287 HydrophobicContact SD-CD2 4.06Å; M273-L287 HydrophobicContact SD-CG 3.88Å; A283-L287 WeakPolarHBondContact O-CG 3.43Å; A283-L287 PolarHBondContact O-N 3.44Å; L287-A289 VanDerWaalsContact C-N 3.33Å; L287-A289 PolarHBondContact O-N 3.47Å; L287-H290 PolarHBondContact O-N 3.32Å; L287-H290 VanDerWaalsContact O-N 3.1Å; L287-G291 PolarHBondContact O-N 3.15Å; L287-L292 CarbonylContact C-O 3.55Å; L287-L292 HydrophobicContact CB-CB 4.21Å; L287-L292 HydrophobicContact CD2-CB 3.91Å; L287-L292 HydrophobicContact CD2-CD1 4.09Å; L287-L292 WeakPolarHBondContact O-CA 3.33Å; L287-L292 WeakPolarHBondContact O-CB 3.45Å; L287-L292 PolarHBondContact O-N 3.34Å; L287-P294 HydrophobicContact CD1-CG 4.17Å
288E92.8Very high90.9Very high86 Ų8644.4 Ų44.440%0.40224%0.238SC..Hα-helixtrans-57.8-43.8178.9-173.2174.4179.900111.7R3 K284 Y285 H290 G291R3-E288 IonicContact NH1-OE1 2.94Å; R3-E288 PolarHBondContact NH1-OE1 3.44Å; K284-E288 WeakPolarHBondContact O-CB 3.42Å; K284-E288 PolarHBondContact O-N 2.86Å; Y285-E288 PolarHBondContact O-N 3Å; E288-H290 PolarHBondContact O-N 3.5Å; E288-G291 PolarHBondContact O-N 3.01Å
289A87.9Confident91.5Very high17 Ų1745.6 Ų45.614%0.1425%0.245CC..Hα-helixtrans-65.4-17.2179.400000114.4N77 F79 Y285 V286 L287N77-A289 HydrophobicContact CB-CB 4.25Å; F79-A289 HydrophobicContact CE2-CB 3.67Å; F79-A289 HydrophobicContact CZ-CB 3.8Å; Y285-A289 VanDerWaalsContact O-CB 3.31Å; Y285-A289 WeakPolarHBondContact O-CB 3.45Å; Y285-A289 PolarHBondContact O-N 3.47Å; V286-A289 PolarHBondContact O-N 3.08Å; L287-A289 VanDerWaalsContact C-N 3.33Å; L287-A289 PolarHBondContact O-N 3.47Å
290H91.9Very high92Very high41 Ų4144.9 Ų44.919%0.1924%0.239CC..THydrogen-bonded Turntrans-10510.4174.9-62.270.6000112.1A239 C241 S275 V286 L287 E288 L292A239-H290 HydrophobicContact CB-CB 4.33Å; C241-H290 VanDerWaalsContact SG-CG 3.53Å; S275-H290 PolarHBondContact OG-CE1 3.46Å; S275-H290 PolarHBondContact OG-NE2 3.46Å; V286-H290 PolarHBondContact O-N 3.35Å; V286-H290 PolarHBondContact O-ND1 2.85Å; L287-H290 PolarHBondContact O-N 3.32Å; L287-H290 VanDerWaalsContact O-N 3.1Å; E288-H290 PolarHBondContact O-N 3.5Å; H290-L292 HydrophobicContact CB-CD1 4.21Å; H290-L292 HydrophobicContact CB-CG 4.07Å; H290-L292 PolarHBondContact O-N 3.47Å
291G94.9Very high92.8Very high69 Ų6941.6 Ų41.671%0.71123%0.226SC*.THydrogen-bonded Turntrans67.517.3-177.200000113.6L287 E288L287-G291 PolarHBondContact O-N 3.15Å; E288-G291 PolarHBondContact O-N 3.01Å
292L96.8Very high93.4Very high27 Ų2741.6 Ų41.614%0.14123%0.226CC..  trans-94.1156.8180-56.9-178.9000110.5Q235 A236 A239 L287 H290Q235-L292 HydrophobicContact CB-CD2 3.79Å; A236-L292 HydrophobicContact CB-CD1 4.24Å; A239-L292 HydrophobicContact CB-CD1 4.09Å; L287-L292 CarbonylContact C-O 3.55Å; L287-L292 HydrophobicContact CB-CB 4.21Å; L287-L292 HydrophobicContact CD2-CB 3.91Å; L287-L292 HydrophobicContact CD2-CD1 4.09Å; L287-L292 WeakPolarHBondContact O-CA 3.33Å; L287-L292 WeakPolarHBondContact O-CB 3.45Å; L287-L292 PolarHBondContact O-N 3.34Å; H290-L292 HydrophobicContact CB-CD1 4.21Å; H290-L292 HydrophobicContact CB-CG 4.07Å; H290-L292 PolarHBondContact O-N 3.47Å
293K96.6Very high93.7Very high178 Ų17839.6 Ų39.677%0.77422%0.215SC*.  trans-116.7144.9177.2-64.7-178.5-176.3176.60110
294P97.6Very high93.8Very high66 Ų6639.6 Ų39.643%0.42922%0.215SC..  trans-51.6138.7168.2-30.338.1000112.8L267 M268 L287L267-P294 WeakPolarHBondContact O-CA 3.31Å; M268-P294 WeakPolarHBondContact O-CB 3.48Å; L287-P294 HydrophobicContact CD1-CG 4.17Å
295I97.3Very high94Very high18 Ų1834.3 Ų34.39%0.09219%0.192CC..  trans-69.3146.5174.468.1178.8000110.6T229 A232 L267 M268 L297 L305T229-I295 HydrophobicContact CG2-CB 4.47Å; T229-I295 HydrophobicContact CG2-CD1 4.18Å; A232-I295 HydrophobicContact CB-CG2 3.68Å; L267-I295 HydrophobicContact CB-CD1 3.79Å; L267-I295 HydrophobicContact CB-CG1 4.2Å; L267-I295 PolarHBondContact O-N 3.1Å; M268-I295 HydrophobicContact CG-CD1 4.36Å; M268-I295 HydrophobicContact CG-CG1 3.9Å; I295-L297 HydrophobicContact CD1-CD2 3.77Å; I295-L297 HydrophobicContact CG1-CD2 4.13Å; I295-L305 HydrophobicContact CD1-CD1 3.81Å
296S94.1Very high94.4Very high64 Ų6431.8 Ų31.845%0.44818%0.183SC..  trans-118.7111.6174.2169.90000109.2K184K184-S296 WeakPolarHBondContact CE-OG 3.44Å; K184-S296 PolarHBondContact NZ-OG 3.16Å
297L95.6Very high94.7Very high4 Ų431.8 Ų31.82%0.02118%0.183CC..PPolyproline II helixtrans-70.9134.7-170.5-55.9179.9000113.2Q187 V191 M268 I295 E301 L305Q187-L297 HydrophobicContact CB-CB 3.85Å; Q187-L297 HydrophobicContact CB-CD1 3.85Å; Q187-L297 HydrophobicContact CG-CB 4.48Å; V191-L297 HydrophobicContact CG2-CD1 3.99Å; M268-L297 HydrophobicContact SD-CD1 3.84Å; M268-L297 HydrophobicContact SD-CG 4.45Å; I295-L297 HydrophobicContact CD1-CD2 3.77Å; I295-L297 HydrophobicContact CG1-CD2 4.13Å; L297-E301 WeakPolarHBondContact CA-OE2 3.37Å; L297-E301 HydrophobicContact CB-CB 4.27Å; L297-E301 HydrophobicContact CD2-CB 4.08Å; L297-L305 HydrophobicContact CD2-CD1 3.51Å
298K94.4Very high94.8Very high63 Ų6331.6 Ų31.627%0.27418%0.182SC..PPolyproline II helixtrans-92.8168.8167.9-58.3-178.5-173.3170.10110.5Q187 E228 K300 E301Q187-K298 WeakPolarHBondContact CG-O 3.42Å; E228-K298 IonicContact OE1-NZ 3.2Å; E228-K298 PolarHBondContact OE1-NZ 2.91Å; E228-K298 IonicContact OE2-NZ 2.88Å; E228-K298 PolarHBondContact OE2-NZ 3.12Å; K298-K300 PolarHBondContact O-N 3.15Å; K298-E301 HydrophobicContact CB-CG 3.94Å; K298-E301 PolarHBondContact N-OE2 3.3Å; K298-E301 WeakPolarHBondContact O-CB 3.34Å; K298-E301 WeakPolarHBondContact O-CG 3.25Å; K298-E301 PolarHBondContact O-N 3.45Å
299P91.6Very high95Very high24 Ų2427.6 Ų27.616%0.15616%0.163CC..THydrogen-bonded Turntrans-52137177.7-27.535.7000113R150 V157 I166 L183 E301R150-P299 PolarHBondContact NH1-O 3.39Å; V157-P299 HydrophobicContact CG2-CB 4.01Å; V157-P299 HydrophobicContact CG2-CG 4.18Å; I166-P299 HydrophobicContact CG2-CB 4.45Å; L183-P299 HydrophobicContact CB-CB 4.44Å; L183-P299 HydrophobicContact CB-CG 3.97Å; L183-P299 HydrophobicContact CD1-CB 4.22Å; L183-P299 HydrophobicContact CD1-CG 3.87Å; P299-E301 PolarHBondContact O-N 2.92Å
300K93.4Very high95.5Very high0 Ų027 Ų270%016%0.157CC..THydrogen-bonded Turntrans71-15.7-171-156.1-167176.1-670116.4L153 I166 S223 K298 G302 I303 A304 D427 P429 V431L153-K300 HydrophobicContact CD1-CB 3.89Å; L153-K300 HydrophobicContact CD1-CD 3.37Å; L153-K300 HydrophobicContact CD1-CG 4.27Å; L153-K300 HydrophobicContact CD2-CD 4.46Å; I166-K300 HydrophobicContact CD1-CD 4.26Å; I166-K300 HydrophobicContact CG1-CB 3.81Å; I166-K300 HydrophobicContact CG1-CD 3.96Å; I166-K300 HydrophobicContact CG1-CG 3.91Å; S223-K300 WeakPolarHBondContact O-CD 3.37Å; S223-K300 VanDerWaalsContact O-CE 3.32Å; S223-K300 WeakPolarHBondContact O-CE 3.12Å; S223-K300 PolarHBondContact O-NZ 3.07Å; K298-K300 PolarHBondContact O-N 3.15Å; K300-G302 VanDerWaalsContact C-N 3.32Å; K300-G302 PolarHBondContact O-N 2.7Å; K300-I303 HydrophobicContact CG-CG2 3.74Å; K300-I303 WeakPolarHBondContact O-CG2 3.44Å; K300-I303 PolarHBondContact O-N 2.93Å; K300-A304 VanDerWaalsContact O-CB 3.24Å; K300-A304 WeakPolarHBondContact O-CB 3.37Å; K300-A304 PolarHBondContact O-N 3.2Å; K300-D427 IonicContact NZ-OD1 2.94Å; K300-D427 IonicContact NZ-OD2 2.82Å; K300-D427 PolarHBondContact NZ-OD2 3.35Å; K300-P429 WeakPolarHBondContact CE-O 3.41Å; K300-P429 PolarHBondContact NZ-O 3.48Å; K300-P429 VanDerWaalsContact NZ-O 3.17Å; K300-V431 HydrophobicContact CD-CG2 4.42Å
301E96.4Very high95.7Very high0 Ų025 Ų250%015%0.148CC..Hα-helixtrans-66.4-32.8-172.3-63.2-162.6138.100113.4I225 S226 T229 L297 K298 P299 A304 L305I225-E301 HydrophobicContact CD1-CB 3.83Å; I225-E301 HydrophobicContact CD1-CG 3.8Å; S226-E301 WeakPolarHBondContact CA-OE1 3.23Å; S226-E301 WeakPolarHBondContact CB-OE1 3.49Å; S226-E301 PolarHBondContact N-OE1 3.24Å; S226-E301 PolarHBondContact OG-OE1 3.21Å; T229-E301 PolarHBondContact OG1-OE1 2.71Å; T229-E301 PolarHBondContact OG1-OE2 2.89Å; L297-E301 WeakPolarHBondContact CA-OE2 3.37Å; L297-E301 HydrophobicContact CB-CB 4.27Å; L297-E301 HydrophobicContact CD2-CB 4.08Å; K298-E301 HydrophobicContact CB-CG 3.94Å; K298-E301 PolarHBondContact N-OE2 3.3Å; K298-E301 WeakPolarHBondContact O-CB 3.34Å; K298-E301 WeakPolarHBondContact O-CG 3.25Å; K298-E301 PolarHBondContact O-N 3.45Å; P299-E301 PolarHBondContact O-N 2.92Å; E301-A304 CarbonylContact O-C 3.49Å; E301-A304 PolarHBondContact O-N 3.07Å; E301-L305 WeakPolarHBondContact O-CG 3.3Å; E301-L305 PolarHBondContact O-N 3.38Å
302G95.9Very high95.9Very high0 Ų021.8 Ų21.80%011%0.114CC..Hα-helixtrans-60.7-52.717600000111.6K300 A304 L305 I306K300-G302 VanDerWaalsContact C-N 3.32Å; K300-G302 PolarHBondContact O-N 2.7Å; G302-A304 VanDerWaalsContact C-N 3.33Å; G302-A304 PolarHBondContact O-N 2.81Å; G302-L305 PolarHBondContact O-N 2.67Å; G302-L305 VanDerWaalsContact O-N 3.16Å; G302-I306 PolarHBondContact O-N 3.22Å
303I94Very high96Very high4 Ų420.6 Ų20.62%0.02111%0.108CC..Hα-helixtrans-66.1-38.2177.9-169.165.2000111.7F170 L190 K300 L305 I306 N307F170-I303 HydrophobicContact CD1-CB 4.25Å; F170-I303 HydrophobicContact CD1-CD1 4.19Å; F170-I303 HydrophobicContact CD1-CG1 4.24Å; F170-I303 HydrophobicContact CE1-CB 3.62Å; F170-I303 HydrophobicContact CE1-CD1 4.41Å; F170-I303 HydrophobicContact CE1-CG1 4.11Å; F170-I303 HydrophobicContact CE1-CG2 3.89Å; F170-I303 HydrophobicContact CZ-CB 4.34Å; L190-I303 HydrophobicContact CD2-CB 3.79Å; L190-I303 HydrophobicContact CD2-CD1 4Å; K300-I303 HydrophobicContact CG-CG2 3.74Å; K300-I303 WeakPolarHBondContact O-CG2 3.44Å; K300-I303 PolarHBondContact O-N 2.93Å; I303-L305 PolarHBondContact O-N 3.29Å; I303-I306 HydrophobicContact CD1-CD1 4.4Å; I303-I306 HydrophobicContact CD1-CG1 4.12Å; I303-I306 PolarHBondContact O-N 2.99Å; I303-I306 VanDerWaalsContact O-N 3.11Å; I303-N307 HydrophobicContact CD1-CB 3.98Å; I303-N307 HydrophobicContact CG1-CB 4.05Å; I303-N307 WeakPolarHBondContact O-CB 3.38Å; I303-N307 PolarHBondContact O-N 3.05Å
304A95.8Very high96.1Very high0 Ų012.1 Ų12.10%07%0.071CC..Hα-helixtrans-67.2-12.9176.300000113.3R214 L218 K300 E301 G302R214-A304 PolarHBondContact NE-O 3.43Å; R214-A304 VanDerWaalsContact NE-O 3.13Å; R214-A304 PolarHBondContact NH2-O 3.39Å; L218-A304 HydrophobicContact CD2-CB 4.48Å; L218-A304 WeakPolarHBondContact CD2-O 3.17Å; K300-A304 VanDerWaalsContact O-CB 3.24Å; K300-A304 WeakPolarHBondContact O-CB 3.37Å; K300-A304 PolarHBondContact O-N 3.2Å; E301-A304 CarbonylContact O-C 3.49Å; E301-A304 PolarHBondContact O-N 3.07Å; G302-A304 VanDerWaalsContact C-N 3.33Å; G302-A304 PolarHBondContact O-N 2.81Å
305L97.3Very high96.1Very high3 Ų39.1 Ų9.12%0.0165%0.052CC..Hα-helixtrans-91-25.9172.4-72.3168.1000112.2R214 L218 I225 M233 A264 I295 L297 E301 G302 I303R214-L305 WeakPolarHBondContact CD-O 3.49Å; L218-L305 HydrophobicContact CD1-CD2 4.09Å; I225-L305 HydrophobicContact CD1-CD2 4.25Å; I225-L305 HydrophobicContact CD1-CG 4.28Å; M233-L305 HydrophobicContact CE-CD2 3.75Å; M233-L305 HydrophobicContact SD-CD2 3.43Å; M233-L305 WeakPolarHBondContact SD-CD2 3.49Å; A264-L305 HydrophobicContact CB-CB 4.01Å; A264-L305 HydrophobicContact CB-CD1 4.17Å; I295-L305 HydrophobicContact CD1-CD1 3.81Å; L297-L305 HydrophobicContact CD2-CD1 3.51Å; E301-L305 WeakPolarHBondContact O-CG 3.3Å; E301-L305 PolarHBondContact O-N 3.38Å; G302-L305 PolarHBondContact O-N 2.67Å; G302-L305 VanDerWaalsContact O-N 3.16Å; I303-L305 PolarHBondContact O-N 3.29Å
306I96.6Very high96.2Very high0 Ų08.2 Ų8.20%05%0.047CC..Hα-helixtrans-110.5-13.2-168.675.5172000114.4L190 V191 H194 L257 L260 S261 A264 G302 I303L190-I306 HydrophobicContact CD1-CD1 4.16Å; L190-I306 HydrophobicContact CD2-CD1 3.72Å; L190-I306 HydrophobicContact CD2-CG1 4.38Å; L190-I306 HydrophobicContact CG-CD1 3.7Å; V191-I306 HydrophobicContact CG2-CG2 4.32Å; H194-I306 HydrophobicContact CB-CD1 4.18Å; L257-I306 HydrophobicContact CD2-CB 4.48Å; L257-I306 HydrophobicContact CD2-CD1 3.87Å; L257-I306 HydrophobicContact CD2-CG1 3.83Å; L260-I306 HydrophobicContact CB-CB 4.18Å; L260-I306 WeakPolarHBondContact CD1-O 3.31Å; S261-I306 WeakPolarHBondContact OG-CD1 3.3Å; S261-I306 WeakPolarHBondContact OG-CG2 3.36Å; A264-I306 HydrophobicContact CB-CG2 4.21Å; G302-I306 PolarHBondContact O-N 3.22Å; I303-I306 HydrophobicContact CD1-CD1 4.4Å; I303-I306 HydrophobicContact CD1-CG1 4.12Å; I303-I306 PolarHBondContact O-N 2.99Å; I303-I306 VanDerWaalsContact O-N 3.11Å
307N95Very high96.4Very high0 Ų05.2 Ų5.20%03%0.026CC..  trans-98.6107.3-175.5-160.9-26.1000111.6R214 S254 I303 D427 F444R214-N307 PolarHBondContact NH1-O 3.31Å; R214-N307 PolarHBondContact NH2-O 3.46Å; S254-N307 PolarHBondContact O-OD1 3.45Å; I303-N307 HydrophobicContact CD1-CB 3.98Å; I303-N307 HydrophobicContact CG1-CB 4.05Å; I303-N307 WeakPolarHBondContact O-CB 3.38Å; I303-N307 PolarHBondContact O-N 3.05Å; N307-D427 WeakPolarHBondContact O-CA 3.41Å; N307-F444 WeakPolarHBondContact OD1-CB 3.39Å; N307-F444 VanDerWaalsContact OD1-CD1 3.27Å; N307-F444 WeakPolarHBondContact OD1-CD1 3.16Å; N307-F444 WeakPolarHBondContact OD1-CG 3.39Å
308G95.6Very high96.6Very high0 Ų06.3 Ų6.30%03%0.031CC..SBendtrans157.8176.9174.600000113.6G255 D256 Q310 T426G255-G308 CarbonylContact C-O 3.5Å; G255-G308 WeakPolarHBondContact CA-O 3.42Å; D256-G308 PolarHBondContact N-O 3.47Å; G308-Q310 VanDerWaalsContact CA-OE1 3.3Å; G308-Q310 PolarHBondContact O-OE1 3.02Å; G308-T426 WeakPolarHBondContact CA-O 3.43Å
309T97.1Very high96.8Very high2 Ų23.3 Ų3.31%0.0122%0.018CC..SBendtrans-97.422.4-168.456.70000114.1D256 M311 I312 T313 E421 F444D256-T309 VanDerWaalsContact OD2-CA 3.28Å; D256-T309 WeakPolarHBondContact OD2-CA 3.42Å; T309-M311 VanDerWaalsContact C-N 3.35Å; T309-M311 PolarHBondContact O-N 3.19Å; T309-I312 PolarHBondContact O-N 2.82Å; T309-T313 WeakPolarHBondContact O-CB 3.29Å; T309-T313 PolarHBondContact O-N 3.37Å; T309-T313 PolarHBondContact O-OG1 3.18Å; T309-E421 WeakPolarHBondContact CB-OE1 3.15Å; T309-E421 WeakPolarHBondContact CG2-OE1 3Å; T309-E421 PolarHBondContact OG1-OE1 3.14Å; T309-F444 WeakPolarHBondContact CG2-O 3.31Å
310Q97.6Very high97.1Very high3 Ų32.1 Ų2.11%0.0141%0.011CC..Hα-helixtrans-70.1-24.6-166.5-65.680.112.400114.4L210 L213 R214 V217 D256 L260 G308 S314 T426L210-Q310 HydrophobicContact CD1-CB 3.7Å; L210-Q310 WeakPolarHBondContact CD1-O 3.45Å; L213-Q310 HydrophobicContact CB-CB 3.94Å; L213-Q310 HydrophobicContact CB-CG 3.7Å; L213-Q310 HydrophobicContact CD1-CB 4.38Å; R214-Q310 VanDerWaalsContact NH1-OE1 3.16Å; V217-Q310 HydrophobicContact CG2-CG 4.46Å; V217-Q310 VanDerWaalsContact CG2-NE2 3.27Å; D256-Q310 PolarHBondContact OD2-N 3.1Å; L260-Q310 VanDerWaalsContact CD1-OE1 3.26Å; L260-Q310 HydrophobicContact CD2-CB 4.24Å; G308-Q310 VanDerWaalsContact CA-OE1 3.3Å; G308-Q310 PolarHBondContact O-OE1 3.02Å; Q310-S314 WeakPolarHBondContact O-CB 3.34Å; Q310-S314 PolarHBondContact O-N 2.7Å; Q310-S314 PolarHBondContact O-OG 2.68Å; Q310-T426 PolarHBondContact NE2-OG1 3.31Å; Q310-T426 VanDerWaalsContact NE2-OG1 3.14Å
311M97.4Very high97.4Very high1 Ų13.2 Ų3.21%0.0052%0.015CC..Hα-helixtrans-71.6-45.9174.5177.361.3-178.100110.4L202 L210 D256 P259 T309 T313 S314 L315L202-M311 HydrophobicContact CD1-CE 3.97Å; L202-M311 HydrophobicContact CD1-SD 3.54Å; L202-M311 VanDerWaalsContact CD1-SD 3.54Å; L202-M311 HydrophobicContact CD2-CE 3.42Å; L202-M311 VanDerWaalsContact CD2-CE 3.42Å; L202-M311 HydrophobicContact CD2-SD 4.15Å; L202-M311 HydrophobicContact CG-CE 4.22Å; L202-M311 HydrophobicContact CG-SD 4.41Å; L210-M311 HydrophobicContact CD1-CB 4.1Å; D256-M311 HydrophobicContact CB-CB 3.63Å; D256-M311 VanDerWaalsContact CG-CB 3.44Å; D256-M311 WeakPolarHBondContact OD2-CA 3.46Å; D256-M311 VanDerWaalsContact OD2-CB 3.26Å; D256-M311 WeakPolarHBondContact OD2-CB 3.35Å; D256-M311 PolarHBondContact OD2-N 3.41Å; P259-M311 HydrophobicContact CB-CB 4.17Å; P259-M311 HydrophobicContact CB-CG 4.11Å; P259-M311 HydrophobicContact CB-SD 4.49Å; P259-M311 HydrophobicContact CG-CB 4.37Å; P259-M311 HydrophobicContact CG-CG 4.08Å; T309-M311 VanDerWaalsContact C-N 3.35Å; T309-M311 PolarHBondContact O-N 3.19Å; M311-T313 VanDerWaalsContact C-N 3.32Å; M311-T313 PolarHBondContact O-N 2.85Å; M311-S314 PolarHBondContact O-OG 2.78Å; M311-L315 HydrophobicContact CE-CD1 3.44Å; M311-L315 VanDerWaalsContact CE-CD1 3.44Å; M311-L315 HydrophobicContact CE-CG 4.01Å; M311-L315 WeakPolarHBondContact O-CG 3.38Å; M311-L315 PolarHBondContact O-N 3.18Å; M311-L315 HydrophobicContact SD-CD1 4.26Å; M311-L315 HydrophobicContact SD-CG 4.22Å
312I98.4Very high97.5Very high0 Ų05.3 Ų5.30%02%0.024CC..Hα-helixtrans-59.5-48.9175.8-54.1168.1000109.6D256 T309 G316 P449 L453 A539D256-I312 WeakPolarHBondContact OD1-CG1 3.39Å; D256-I312 PolarHBondContact OD2-N 3.06Å; D256-I312 VanDerWaalsContact OD2-N 3.12Å; T309-I312 PolarHBondContact O-N 2.82Å; I312-G316 PolarHBondContact O-N 2.87Å; I312-P449 HydrophobicContact CG2-CB 3.74Å; I312-P449 HydrophobicContact CG2-CG 3.93Å; I312-L453 HydrophobicContact CG2-CD1 3.77Å; I312-A539 HydrophobicContact CG2-CB 4.32Å
313T98.4Very high97.6Very high2 Ų25.3 Ų5.31%0.0122%0.024CC..Hα-helixtrans-72-37.6-173.6-57.60000113L213 T309 M311 G316 A317 I418 E421 I422L213-T313 HydrophobicContact CD1-CG2 3.78Å; T309-T313 WeakPolarHBondContact O-CB 3.29Å; T309-T313 PolarHBondContact O-N 3.37Å; T309-T313 PolarHBondContact O-OG1 3.18Å; M311-T313 VanDerWaalsContact C-N 3.32Å; M311-T313 PolarHBondContact O-N 2.85Å; T313-G316 PolarHBondContact O-N 2.9Å; T313-A317 WeakPolarHBondContact O-CB 3.3Å; T313-A317 PolarHBondContact O-N 2.82Å; T313-I418 HydrophobicContact CG2-CG2 4.42Å; T313-E421 HydrophobicContact CG2-CB 4.09Å; T313-E421 HydrophobicContact CG2-CG 4Å; T313-E421 WeakPolarHBondContact OG1-CG 3.37Å; T313-I422 HydrophobicContact CG2-CB 4.41Å; T313-I422 HydrophobicContact CG2-CG1 3.5Å
314S98.4Very high97.8Very high0 Ų08.6 Ų8.60%04%0.036CC..Hα-helixtrans-65.5-49.2177.1540000111.7M209 Q310 M311 G316 A317 E318M209-S314 WeakPolarHBondContact CE-O 3.3Å; Q310-S314 WeakPolarHBondContact O-CB 3.34Å; Q310-S314 PolarHBondContact O-N 2.7Å; Q310-S314 PolarHBondContact O-OG 2.68Å; M311-S314 PolarHBondContact O-OG 2.78Å; S314-G316 VanDerWaalsContact C-N 3.3Å; S314-G316 PolarHBondContact O-N 2.77Å; S314-A317 PolarHBondContact O-N 2.81Å; S314-E318 PolarHBondContact O-N 2.61Å
315L98.6Very high98Very high3 Ų39 Ų92%0.0164%0.039CC..Hα-helixtrans-63.7-38.1174.8-67.2-166.4000111.8R206 M311 E318 A319 A539 R540 L543R206-L315 HydrophobicContact CB-CD2 4.33Å; R206-L315 HydrophobicContact CG-CD2 3.93Å; M311-L315 HydrophobicContact CE-CD1 3.44Å; M311-L315 VanDerWaalsContact CE-CD1 3.44Å; M311-L315 HydrophobicContact CE-CG 4.01Å; M311-L315 WeakPolarHBondContact O-CG 3.38Å; M311-L315 PolarHBondContact O-N 3.18Å; M311-L315 HydrophobicContact SD-CD1 4.26Å; M311-L315 HydrophobicContact SD-CG 4.22Å; L315-E318 PolarHBondContact O-N 3.42Å; L315-A319 WeakPolarHBondContact O-CB 3.41Å; L315-A319 PolarHBondContact O-N 2.99Å; L315-A539 HydrophobicContact CB-CB 3.73Å; L315-A539 HydrophobicContact CD1-CB 4.22Å; L315-R540 HydrophobicContact CD1-CG 3.67Å; L315-L543 HydrophobicContact CB-CD1 3.71Å; L315-L543 HydrophobicContact CD1-CD1 4.12Å; L315-L543 HydrophobicContact CD2-CD1 3.74Å; L315-L543 HydrophobicContact CG-CD1 4.05Å
316G98.6Very high98Very high0 Ų09 Ų90%04%0.039CC..Hα-helixtrans-65.2-36.9176.800000113.9I312 T313 S314 A319 V320 L453I312-G316 PolarHBondContact O-N 2.87Å; T313-G316 PolarHBondContact O-N 2.9Å; S314-G316 VanDerWaalsContact C-N 3.3Å; S314-G316 PolarHBondContact O-N 2.77Å; G316-A319 PolarHBondContact O-N 3.36Å; G316-V320 WeakPolarHBondContact O-CG1 3.07Å; G316-V320 PolarHBondContact O-N 3.23Å; G316-L453 VanDerWaalsContact CA-CD2 3.43Å
317A98.8Very high98.1Very high0 Ų09 Ų90%04%0.039CC..Hα-helixtrans-64.8-42173.700000112L126 M209 T313 S314 V320 E321 I418 I422L126-A317 HydrophobicContact CD2-CB 3.69Å; M209-A317 HydrophobicContact CE-CB 4.17Å; T313-A317 WeakPolarHBondContact O-CB 3.3Å; T313-A317 PolarHBondContact O-N 2.82Å; S314-A317 PolarHBondContact O-N 2.81Å; A317-V320 WeakPolarHBondContact O-CG1 3.29Å; A317-E321 WeakPolarHBondContact O-CB 3.3Å; A317-E321 VanDerWaalsContact O-CG 3.29Å; A317-E321 WeakPolarHBondContact O-CG 3.39Å; A317-E321 PolarHBondContact O-N 3.45Å; A317-I418 HydrophobicContact CB-CG2 4.01Å; A317-I422 HydrophobicContact CB-CD1 4.13Å
318E98.7Very high98.3Very high27 Ų2710.9 Ų10.913%0.1265%0.048CC..Hα-helixtrans-62.3-47172.5-175.9-167148.600110.9R206 M209 S314 L315 V320 E321 R322 L543R206-E318 WeakPolarHBondContact CG-OE2 3.38Å; R206-E318 IonicContact CZ-OE1 3.34Å; R206-E318 IonicContact CZ-OE2 2.72Å; R206-E318 IonicContact NE-OE1 2.92Å; R206-E318 IonicContact NE-OE2 2.7Å; R206-E318 PolarHBondContact NE-OE2 2.93Å; R206-E318 IonicContact NH2-OE1 3.54Å; R206-E318 PolarHBondContact NH2-OE1 3.19Å; R206-E318 IonicContact NH2-OE2 3.52Å; R206-E318 PolarHBondContact NH2-OE2 2.73Å; M209-E318 HydrophobicContact CE-CB 4.04Å; M209-E318 HydrophobicContact SD-CB 4.47Å; S314-E318 PolarHBondContact O-N 2.61Å; L315-E318 PolarHBondContact O-N 3.42Å; E318-V320 PolarHBondContact O-N 3.25Å; E318-E321 PolarHBondContact O-N 3.11Å; E318-R322 HydrophobicContact CG-CG 4.34Å; E318-R322 WeakPolarHBondContact O-CB 3.46Å; E318-R322 WeakPolarHBondContact O-CG 3.47Å; E318-R322 PolarHBondContact O-N 2.91Å; E318-R322 IonicContact OE1-NH1 2.65Å; E318-R322 PolarHBondContact OE1-NH1 3.28Å; E318-L543 HydrophobicContact CB-CD2 4.01Å; E318-L543 HydrophobicContact CG-CD2 3.82Å
319A98.8Very high98.4Very high0 Ų010.9 Ų10.90%05%0.048CC..Hα-helixtrans-59.6-46.5-178.300000112L315 G316 A323 L453 L456 A542 L543L315-A319 WeakPolarHBondContact O-CB 3.41Å; L315-A319 PolarHBondContact O-N 2.99Å; G316-A319 PolarHBondContact O-N 3.36Å; A319-A323 WeakPolarHBondContact O-CB 3.46Å; A319-A323 PolarHBondContact O-N 3.28Å; A319-L453 HydrophobicContact CB-CD2 4.45Å; A319-L456 HydrophobicContact CB-CD2 3.79Å; A319-A542 HydrophobicContact CB-CB 4.33Å; A319-L543 HydrophobicContact CB-CD2 3.75Å; A319-L543 HydrophobicContact CB-CG 3.98Å
320V98.6Very high98.5Very high0 Ų010.8 Ų10.80%05%0.047CC..Hα-helixtrans-69.7-37-178.174.70000112.3G316 A317 E318 A323 R324 I411 V414 Q415 L456G316-V320 WeakPolarHBondContact O-CG1 3.07Å; G316-V320 PolarHBondContact O-N 3.23Å; A317-V320 WeakPolarHBondContact O-CG1 3.29Å; E318-V320 PolarHBondContact O-N 3.25Å; V320-A323 PolarHBondContact O-N 2.9Å; V320-R324 WeakPolarHBondContact O-CB 3.49Å; V320-R324 PolarHBondContact O-N 3.33Å; V320-I411 HydrophobicContact CG2-CG2 3.97Å; V320-V414 HydrophobicContact CB-CG1 4.48Å; V320-V414 HydrophobicContact CG2-CB 4.44Å; V320-V414 HydrophobicContact CG2-CG1 4.18Å; V320-Q415 HydrophobicContact CG2-CB 3.74Å; V320-L456 HydrophobicContact CB-CD2 4.35Å; V320-L456 HydrophobicContact CG2-CD1 4.48Å
321E98.7Very high98.6Very high22 Ų2210.7 Ų10.710%0.1035%0.047CC..Hα-helixtrans-67.3-43.2176.5-76.8-63.7145.600112S123 T124 V127 A317 E318 R324 A325 Q415S123-E321 PolarHBondContact OG-OE1 3.22Å; T124-E321 PolarHBondContact OG1-OE1 2.99Å; V127-E321 HydrophobicContact CG2-CB 4.12Å; V127-E321 HydrophobicContact CG2-CG 3.96Å; A317-E321 WeakPolarHBondContact O-CB 3.3Å; A317-E321 VanDerWaalsContact O-CG 3.29Å; A317-E321 WeakPolarHBondContact O-CG 3.39Å; A317-E321 PolarHBondContact O-N 3.45Å; E318-E321 PolarHBondContact O-N 3.11Å; E321-R324 VanDerWaalsContact CD-NH2 3.28Å; E321-R324 IonicContact OE1-CZ 2.77Å; E321-R324 IonicContact OE1-NH1 3.19Å; E321-R324 PolarHBondContact OE1-NH1 3.09Å; E321-R324 IonicContact OE1-NH2 3.63Å; E321-R324 PolarHBondContact OE1-NH2 3.38Å; E321-R324 IonicContact OE2-CZ 2.82Å; E321-R324 VanDerWaalsContact OE2-CZ 3.3Å; E321-R324 IonicContact OE2-NE 2.59Å; E321-R324 IonicContact OE2-NH2 3.82Å; E321-R324 PolarHBondContact OE2-NH2 3.47Å; E321-A325 WeakPolarHBondContact O-CB 3.27Å; E321-A325 PolarHBondContact O-N 3.41Å; E321-A325 VanDerWaalsContact O-N 3.09Å; E321-Q415 PolarHBondContact OE1-NE2 3.2Å
322R98.8Very high98.6Very high45 Ų4510.7 Ų10.717%0.175%0.047CC..Hα-helixtrans-66.2-43.5174.1-70.6175.267.4-179.40.5111.5E318 R324 A325 I326 V546 E547 E550E318-R322 HydrophobicContact CG-CG 4.34Å; E318-R322 WeakPolarHBondContact O-CB 3.46Å; E318-R322 WeakPolarHBondContact O-CG 3.47Å; E318-R322 PolarHBondContact O-N 2.91Å; E318-R322 IonicContact OE1-NH1 2.65Å; E318-R322 PolarHBondContact OE1-NH1 3.28Å; R322-R324 PolarHBondContact O-N 2.98Å; R322-A325 PolarHBondContact O-N 3.18Å; R322-I326 WeakPolarHBondContact O-CG2 3.49Å; R322-I326 PolarHBondContact O-N 3.45Å; R322-V546 HydrophobicContact CB-CG1 3.6Å; R322-E547 IonicContact NH1-OE1 3.65Å; R322-E547 PolarHBondContact NH1-OE1 3.38Å; R322-E550 IonicContact CZ-OE1 3.18Å; R322-E550 IonicContact CZ-OE2 3.87Å; R322-E550 IonicContact NE-OE1 2.75Å; R322-E550 PolarHBondContact NE-OE1 3.09Å; R322-E550 IonicContact NE-OE2 2.94Å; R322-E550 VanDerWaalsContact NH2-CD 3.3Å; R322-E550 IonicContact NH2-OE1 2.78Å; R322-E550 PolarHBondContact NH2-OE1 3.26Å; R322-E550 VanDerWaalsContact NH2-OE1 3.16Å; R322-E550 IonicContact NH2-OE2 3.23Å; R322-E550 PolarHBondContact NH2-OE2 3.29Å
323A98.9Very high98.7Very high0 Ų010.7 Ų10.70%05%0.047CC..Hα-helixtrans-57.7-45.8175.900000112A319 V320 I326 A327 I411 L456 V460 V546A319-A323 WeakPolarHBondContact O-CB 3.46Å; A319-A323 PolarHBondContact O-N 3.28Å; V320-A323 PolarHBondContact O-N 2.9Å; A323-I326 WeakPolarHBondContact O-CG2 3.49Å; A323-I326 PolarHBondContact O-N 3.37Å; A323-A327 VanDerWaalsContact O-CB 3.23Å; A323-A327 WeakPolarHBondContact O-CB 3.39Å; A323-A327 PolarHBondContact O-N 2.92Å; A323-I411 HydrophobicContact CB-CD1 4.04Å; A323-I411 HydrophobicContact CB-CG1 4.02Å; A323-L456 HydrophobicContact CB-CD1 3.99Å; A323-V460 HydrophobicContact CB-CG1 4.41Å; A323-V460 HydrophobicContact CB-CG2 3.73Å; A323-V546 HydrophobicContact CB-CG2 4.05Å
324R98.6Very high98.7Very high73 Ų7310.7 Ų10.728%0.2755%0.047SC..Hα-helixtrans-59.7-47.5175.8-174.7177.269.4-175.95.4111.5T124 V320 E321 R322 Q328 I411 Q415T124-R324 PolarHBondContact OG1-NH2 2.9Å; V320-R324 WeakPolarHBondContact O-CB 3.49Å; V320-R324 PolarHBondContact O-N 3.33Å; E321-R324 VanDerWaalsContact CD-NH2 3.28Å; E321-R324 IonicContact OE1-CZ 2.77Å; E321-R324 IonicContact OE1-NH1 3.19Å; E321-R324 PolarHBondContact OE1-NH1 3.09Å; E321-R324 IonicContact OE1-NH2 3.63Å; E321-R324 PolarHBondContact OE1-NH2 3.38Å; E321-R324 IonicContact OE2-CZ 2.82Å; E321-R324 VanDerWaalsContact OE2-CZ 3.3Å; E321-R324 IonicContact OE2-NE 2.59Å; E321-R324 IonicContact OE2-NH2 3.82Å; E321-R324 PolarHBondContact OE2-NH2 3.47Å; R322-R324 PolarHBondContact O-N 2.98Å; R324-Q328 WeakPolarHBondContact O-CG 3.38Å; R324-Q328 PolarHBondContact O-N 3.5Å; R324-I411 HydrophobicContact CB-CG2 3.89Å; R324-Q415 VanDerWaalsContact NH1-NE2 3.11Å; R324-Q415 VanDerWaalsContact NH1-OE1 3.14Å
325A98.4Very high98.7Very high9 Ų910.7 Ų10.77%0.0745%0.047CC..Hα-helixtrans-64.3-40.7-179.500000112.8E321 R322 Q329 Q610E321-A325 WeakPolarHBondContact O-CB 3.27Å; E321-A325 PolarHBondContact O-N 3.41Å; E321-A325 VanDerWaalsContact O-N 3.09Å; R322-A325 PolarHBondContact O-N 3.18Å; A325-Q329 WeakPolarHBondContact O-CG 3.49Å; A325-Q329 PolarHBondContact O-N 2.79Å; A325-Q329 PolarHBondContact O-NE2 3.42Å; A325-Q329 VanDerWaalsContact O-NE2 3.14Å; A325-Q610 HydrophobicContact CB-CG 4.01Å
326I98.8Very high98.7Very high2 Ų210.5 Ų10.51%0.015%0.046CC..Hα-helixtrans-76.4-34.6179.8-165.959.8000112R322 A323 Q328 Q329 A330 V549 E550 L553 L607R322-I326 WeakPolarHBondContact O-CG2 3.49Å; R322-I326 PolarHBondContact O-N 3.45Å; A323-I326 WeakPolarHBondContact O-CG2 3.49Å; A323-I326 PolarHBondContact O-N 3.37Å; I326-Q328 VanDerWaalsContact C-N 3.34Å; I326-Q328 PolarHBondContact O-N 2.83Å; I326-Q329 HydrophobicContact CD1-CB 4.47Å; I326-Q329 CarbonylContact O-C 3.57Å; I326-Q329 PolarHBondContact O-N 3.29Å; I326-Q329 VanDerWaalsContact O-N 3.11Å; I326-A330 WeakPolarHBondContact O-CB 3.38Å; I326-A330 PolarHBondContact O-N 2.88Å; I326-V549 HydrophobicContact CG1-CG1 4.2Å; I326-V549 HydrophobicContact CG2-CG1 4.23Å; I326-E550 HydrophobicContact CB-CG 4.05Å; I326-E550 HydrophobicContact CD1-CB 4.26Å; I326-E550 HydrophobicContact CD1-CG 3.97Å; I326-E550 HydrophobicContact CG1-CB 4.37Å; I326-E550 HydrophobicContact CG1-CG 3.78Å; I326-L553 HydrophobicContact CD1-CB 4.33Å; I326-L553 HydrophobicContact CD1-CD1 3.67Å; I326-L553 HydrophobicContact CG1-CD1 3.45Å; I326-L553 VanDerWaalsContact CG1-CD1 3.45Å; I326-L607 HydrophobicContact CD1-CB 4.21Å; I326-L607 HydrophobicContact CD1-CD1 4.16Å; I326-L607 HydrophobicContact CD1-CD2 4.43Å
327A98.8Very high98.7Very high0 Ų010.5 Ų10.50%05%0.046CC..Hα-helixtrans-61.3-40.6176.300000112.5A323 Q329 A330 N408 I411 L463A323-A327 VanDerWaalsContact O-CB 3.23Å; A323-A327 WeakPolarHBondContact O-CB 3.39Å; A323-A327 PolarHBondContact O-N 2.92Å; A327-Q329 VanDerWaalsContact C-N 3.31Å; A327-Q329 PolarHBondContact O-N 3.1Å; A327-A330 WeakPolarHBondContact O-CB 3.39Å; A327-A330 PolarHBondContact O-N 3.31Å; A327-N408 WeakPolarHBondContact CB-OD1 3.34Å; A327-I411 HydrophobicContact CB-CD1 3.71Å; A327-L463 HydrophobicContact CB-CD1 3.8Å
328Q98.1Very high98.6Very high39 Ų3910.6 Ų10.618%0.1825%0.047CC..Hα-helixtrans-62.3-38.4173.4-73.1177.5-34.100112.6R324 I326 W613R324-Q328 WeakPolarHBondContact O-CG 3.38Å; R324-Q328 PolarHBondContact O-N 3.5Å; I326-Q328 VanDerWaalsContact C-N 3.34Å; I326-Q328 PolarHBondContact O-N 2.83Å; Q328-W613 HydrophobicContact CB-CD2 4.13Å; Q328-W613 HydrophobicContact CB-CE3 3.7Å; Q328-W613 HydrophobicContact CB-CH2 4.45Å; Q328-W613 HydrophobicContact CB-CZ3 3.88Å; Q328-W613 HydrophobicContact CG-CE3 4.46Å; Q328-W613 HydrophobicContact CG-CH2 4.4Å; Q328-W613 HydrophobicContact CG-CZ3 4.29Å
329Q98.8Very high98.5Very high1 Ų19.6 Ų9.61%0.0054%0.042CC..Hα-helixtrans-77.1-28.7179.1-67.7177.8104.600112.1A325 I326 A327 D331 I332 V333 L607 V612 W613A325-Q329 WeakPolarHBondContact O-CG 3.49Å; A325-Q329 PolarHBondContact O-N 2.79Å; A325-Q329 PolarHBondContact O-NE2 3.42Å; A325-Q329 VanDerWaalsContact O-NE2 3.14Å; I326-Q329 HydrophobicContact CD1-CB 4.47Å; I326-Q329 CarbonylContact O-C 3.57Å; I326-Q329 PolarHBondContact O-N 3.29Å; I326-Q329 VanDerWaalsContact O-N 3.11Å; A327-Q329 VanDerWaalsContact C-N 3.31Å; A327-Q329 PolarHBondContact O-N 3.1Å; Q329-D331 PolarHBondContact O-N 3.49Å; Q329-I332 WeakPolarHBondContact O-CB 3.44Å; Q329-I332 PolarHBondContact O-N 3.04Å; Q329-I332 VanDerWaalsContact O-N 3.1Å; Q329-V333 WeakPolarHBondContact O-CG2 3.33Å; Q329-V333 PolarHBondContact O-N 3.46Å; Q329-L607 HydrophobicContact CB-CD2 4Å; Q329-L607 HydrophobicContact CG-CD2 4.45Å; Q329-L607 PolarHBondContact NE2-O 3.41Å; Q329-V612 HydrophobicContact CG-CB 4.4Å; Q329-W613 HydrophobicContact CG-CB 3.73Å
330A98.9Very high98.4Very high0 Ų09.6 Ų9.60%04%0.042CC..Hα-helixtrans-58.7-36.5175.700000112.1I326 A327 A334 L463 L553I326-A330 WeakPolarHBondContact O-CB 3.38Å; I326-A330 PolarHBondContact O-N 2.88Å; A327-A330 WeakPolarHBondContact O-CB 3.39Å; A327-A330 PolarHBondContact O-N 3.31Å; A330-A334 WeakPolarHBondContact O-CB 3.34Å; A330-A334 PolarHBondContact O-N 2.73Å; A330-L463 HydrophobicContact CB-CD2 4.42Å; A330-L553 HydrophobicContact CB-CD1 3.72Å; A330-L553 HydrophobicContact CB-CD2 3.96Å
331D98.8Very high98.3Very high0 Ų09.8 Ų9.80%04%0.043CC..Hα-helixtrans-63.5-42.3175.5-61-25.2000111.5Q329 A335 V364 R367 F368 H404Q329-D331 PolarHBondContact O-N 3.49Å; D331-A335 WeakPolarHBondContact O-CB 3.31Å; D331-A335 PolarHBondContact O-N 3.19Å; D331-V364 WeakPolarHBondContact OD1-CG1 3.41Å; D331-R367 HydrophobicContact CB-CB 4.47Å; D331-R367 VanDerWaalsContact OD2-CD 3.28Å; D331-R367 WeakPolarHBondContact OD2-CD 3.36Å; D331-R367 IonicContact OD2-CZ 3.54Å; D331-R367 IonicContact OD2-NE 3.34Å; D331-R367 IonicContact OD2-NH1 3.89Å; D331-R367 PolarHBondContact OD2-NH1 3.4Å; D331-F368 HydrophobicContact CB-CE2 4.24Å; D331-H404 IonicContact OD1-CE1 3.83Å; D331-H404 IonicContact OD1-CG 3.18Å; D331-H404 IonicContact OD1-ND1 3.95Å; D331-H404 PolarHBondContact OD1-ND1 2.83Å
332I98.8Very high98.1Very high1 Ų110.7 Ų10.71%0.0055%0.046CC..Hα-helixtrans-67.5-45.4178.8-59.7163.6000110.7Q329 A334 A335 L336 L371 L576 V579 V612 W613 A616Q329-I332 WeakPolarHBondContact O-CB 3.44Å; Q329-I332 PolarHBondContact O-N 3.04Å; Q329-I332 VanDerWaalsContact O-N 3.1Å; I332-A334 VanDerWaalsContact C-N 3.35Å; I332-A335 PolarHBondContact O-N 3.38Å; I332-L336 PolarHBondContact O-N 3.36Å; I332-L371 HydrophobicContact CB-CD1 4.38Å; I332-L371 HydrophobicContact CG1-CD1 3.84Å; I332-L576 HydrophobicContact CG2-CD2 4.3Å; I332-V579 HydrophobicContact CG2-CG1 4.33Å; I332-V579 HydrophobicContact CG2-CG2 3.79Å; I332-V612 HydrophobicContact CB-CG1 4.19Å; I332-V612 HydrophobicContact CD1-CG1 4.15Å; I332-V612 HydrophobicContact CG2-CG1 3.75Å; I332-W613 HydrophobicContact CD1-CE3 3.84Å; I332-A616 HydrophobicContact CD1-CB 3.45Å; I332-A616 VanDerWaalsContact CD1-CB 3.45Å; I332-A616 HydrophobicContact CG1-CB 3.94Å; I332-A616 HydrophobicContact CG2-CB 4.37Å
333V98.9Very high97.7Very high0 Ų08.9 Ų8.90%04%0.041CC..Hα-helixtrans-61.6-45.7178175.70000110.2Q329 A335 L336 T337 L553 E556 L557Q329-V333 WeakPolarHBondContact O-CG2 3.33Å; Q329-V333 PolarHBondContact O-N 3.46Å; V333-A335 PolarHBondContact O-N 2.91Å; V333-L336 WeakPolarHBondContact O-CB 3.46Å; V333-L336 PolarHBondContact O-N 3.1Å; V333-T337 PolarHBondContact O-N 3.44Å; V333-T337 PolarHBondContact O-OG1 3.47Å; V333-L553 HydrophobicContact CB-CD2 4.26Å; V333-L553 HydrophobicContact CG1-CD2 4.16Å; V333-E556 HydrophobicContact CG1-CB 3.78Å; V333-E556 HydrophobicContact CG1-CG 3.68Å; V333-L557 HydrophobicContact CG1-CB 4.11Å; V333-L557 HydrophobicContact CG2-CB 4.01Å; V333-L557 HydrophobicContact CG2-CD1 4.31Å; V333-L557 HydrophobicContact CG2-CD2 4.33Å; V333-L557 HydrophobicContact CG2-CG 4.45Å
334A98.8Very high97.2Very high2 Ų29.4 Ų9.42%0.0175%0.045CC..Hα-helixtrans-65.2-36.3177.600000112.9A330 I332 T337 L338 F368A330-A334 WeakPolarHBondContact O-CB 3.34Å; A330-A334 PolarHBondContact O-N 2.73Å; I332-A334 VanDerWaalsContact C-N 3.35Å; A334-T337 PolarHBondContact O-N 3.35Å; A334-L338 WeakPolarHBondContact O-CB 3.24Å; A334-L338 PolarHBondContact O-N 2.84Å; A334-F368 HydrophobicContact CB-CE1 4.19Å; A334-F368 HydrophobicContact CB-CZ 3.65Å
335A98.6Very high96.8Very high0 Ų07.3 Ų7.30%04%0.04CC..Hα-helixtrans-63.7-41.2173.900000111.8D331 I332 V333 L338 E339 F368 L371 L372 L576D331-A335 WeakPolarHBondContact O-CB 3.31Å; D331-A335 PolarHBondContact O-N 3.19Å; I332-A335 PolarHBondContact O-N 3.38Å; V333-A335 PolarHBondContact O-N 2.91Å; A335-L338 WeakPolarHBondContact O-CB 3.45Å; A335-L338 PolarHBondContact O-N 2.74Å; A335-E339 PolarHBondContact O-N 3.05Å; A335-E339 VanDerWaalsContact O-N 3.08Å; A335-F368 HydrophobicContact CB-CD1 4.07Å; A335-F368 HydrophobicContact CB-CE1 4.06Å; A335-L371 HydrophobicContact CB-CB 4.35Å; A335-L371 HydrophobicContact CB-CD1 4.36Å; A335-L372 HydrophobicContact CB-CD2 3.98Å; A335-L372 HydrophobicContact CB-CG 4.44Å; A335-L576 HydrophobicContact CB-CD1 4.29Å; A335-L576 HydrophobicContact CB-CD2 4.26Å
336L98.5Very high96.3Very high0 Ų08.8 Ų8.80%05%0.045CC..Hα-helixtrans-62.4-44.4174.3-163.671.4000111.6I332 V333 L338 E339 V340 L557 A560 I564 L576I332-L336 PolarHBondContact O-N 3.36Å; V333-L336 WeakPolarHBondContact O-CB 3.46Å; V333-L336 PolarHBondContact O-N 3.1Å; L336-L338 VanDerWaalsContact C-N 3.31Å; L336-L338 PolarHBondContact O-N 3.32Å; L336-E339 PolarHBondContact O-N 2.85Å; L336-V340 VanDerWaalsContact O-CG2 3.32Å; L336-V340 WeakPolarHBondContact O-CG2 3.35Å; L336-V340 PolarHBondContact O-N 2.9Å; L336-V340 VanDerWaalsContact O-N 3.1Å; L336-L557 HydrophobicContact CD2-CD1 3.73Å; L336-A560 HydrophobicContact CB-CB 4.3Å; L336-A560 HydrophobicContact CD2-CB 3.83Å; L336-A560 HydrophobicContact CG-CB 4Å; L336-I564 HydrophobicContact CD1-CD1 3.62Å; L336-I564 HydrophobicContact CG-CD1 4.13Å; L336-L576 HydrophobicContact CB-CD2 4.43Å; L336-L576 HydrophobicContact CD1-CB 3.76Å; L336-L576 HydrophobicContact CD1-CD2 4.26Å; L336-L576 HydrophobicContact CD1-CG 4.4Å
337T98.7Very high96Very high0 Ų09.2 Ų9.20%05%0.049CC..Hα-helixtrans-62.8-37.7175.3-58.90000112.1V333 A334 V340 L341 R470 L474 E556V333-T337 PolarHBondContact O-N 3.44Å; V333-T337 PolarHBondContact O-OG1 3.47Å; A334-T337 PolarHBondContact O-N 3.35Å; T337-V340 PolarHBondContact O-N 2.99Å; T337-L341 HydrophobicContact CG2-CD1 3.7Å; T337-L341 HydrophobicContact CG2-CG 4.21Å; T337-L341 WeakPolarHBondContact O-CB 3.33Å; T337-L341 WeakPolarHBondContact O-CG 3.45Å; T337-L341 PolarHBondContact O-N 3.22Å; T337-R470 HydrophobicContact CG2-CB 3.92Å; T337-R470 HydrophobicContact CG2-CG 4.38Å; T337-L474 HydrophobicContact CG2-CD1 3.79Å; T337-L474 HydrophobicContact CG2-CD2 4.13Å; T337-L474 HydrophobicContact CG2-CG 3.92Å; T337-E556 WeakPolarHBondContact CB-OE1 3.44Å; T337-E556 PolarHBondContact OG1-OE1 3.21Å
338L97.4Very high95.8Very high2 Ų29.3 Ų9.31%0.015%0.049CC..Hα-helixtrans-63.4-41.9177.6-171.8138.2000111.9A334 A335 L336 L341 K342 G343 F348 L372 M397A334-L338 WeakPolarHBondContact O-CB 3.24Å; A334-L338 PolarHBondContact O-N 2.84Å; A335-L338 WeakPolarHBondContact O-CB 3.45Å; A335-L338 PolarHBondContact O-N 2.74Å; L336-L338 VanDerWaalsContact C-N 3.31Å; L336-L338 PolarHBondContact O-N 3.32Å; L338-L341 PolarHBondContact O-N 3.15Å; L338-K342 PolarHBondContact O-N 2.9Å; L338-K342 VanDerWaalsContact O-N 3.15Å; L338-G343 PolarHBondContact O-N 2.97Å; L338-F348 HydrophobicContact CD1-CE2 3.49Å; L338-F348 VanDerWaalsContact CD1-CE2 3.49Å; L338-F348 HydrophobicContact CD1-CZ 3.47Å; L338-F348 VanDerWaalsContact CD1-CZ 3.47Å; L338-F348 HydrophobicContact CD2-CE2 4.47Å; L338-L372 HydrophobicContact CD2-CD1 3.75Å; L338-L372 HydrophobicContact CD2-CD2 3.8Å; L338-L372 HydrophobicContact CD2-CG 4.43Å; L338-M397 HydrophobicContact CD1-CB 4.17Å
339E96.2Very high95.6Very high6 Ų68.4 Ų8.43%0.0285%0.046CC..Hα-helixtrans-60.8-49.2173.6-73.9-82.7145.900111.2A335 L336 L341 K342 L372 S379 I381 T572 L576A335-E339 PolarHBondContact O-N 3.05Å; A335-E339 VanDerWaalsContact O-N 3.08Å; L336-E339 PolarHBondContact O-N 2.85Å; E339-L341 VanDerWaalsContact C-N 3.3Å; E339-L341 PolarHBondContact O-N 2.88Å; E339-K342 PolarHBondContact O-N 3.5Å; E339-L372 HydrophobicContact CG-CD2 3.86Å; E339-S379 VanDerWaalsContact OE2-CB 3.28Å; E339-S379 WeakPolarHBondContact OE2-CB 3.4Å; E339-S379 PolarHBondContact OE2-OG 2.76Å; E339-I381 WeakPolarHBondContact O-CG2 3.48Å; E339-T572 WeakPolarHBondContact CB-OG1 3.38Å; E339-T572 WeakPolarHBondContact CG-OG1 3.15Å; E339-T572 PolarHBondContact OE2-OG1 3.45Å; E339-L576 HydrophobicContact CG-CD1 3.62Å
340V97.3Very high95.4Very high0 Ų010.1 Ų10.10%06%0.058CC..Hα-helixtrans-59.4-41.2179.6172.40000112.1L336 T337 K342 L474 L482 A560 I564 L567L336-V340 VanDerWaalsContact O-CG2 3.32Å; L336-V340 WeakPolarHBondContact O-CG2 3.35Å; L336-V340 PolarHBondContact O-N 2.9Å; L336-V340 VanDerWaalsContact O-N 3.1Å; T337-V340 PolarHBondContact O-N 2.99Å; V340-K342 PolarHBondContact O-N 3.3Å; V340-L474 HydrophobicContact CB-CD2 4.11Å; V340-L474 HydrophobicContact CG1-CD2 3.42Å; V340-L474 VanDerWaalsContact CG1-CD2 3.42Å; V340-L482 HydrophobicContact CG1-CD1 3.69Å; V340-A560 HydrophobicContact CG2-CB 4.46Å; V340-A560 VanDerWaalsContact CG2-O 3.29Å; V340-A560 WeakPolarHBondContact CG2-O 3.45Å; V340-I564 HydrophobicContact CG2-CD1 4.34Å; V340-I564 HydrophobicContact CG2-CG1 3.53Å; V340-L567 HydrophobicContact CG1-CD1 4.44Å
341L95.9Very high95.3Very high3 Ų314 Ų142%0.0168%0.078CC..THydrogen-bonded Turntrans-835.3179.8-67.9177.4000113.5T337 L338 E339 G343 R390 M397 R473 L474T337-L341 HydrophobicContact CG2-CD1 3.7Å; T337-L341 HydrophobicContact CG2-CG 4.21Å; T337-L341 WeakPolarHBondContact O-CB 3.33Å; T337-L341 WeakPolarHBondContact O-CG 3.45Å; T337-L341 PolarHBondContact O-N 3.22Å; L338-L341 PolarHBondContact O-N 3.15Å; E339-L341 VanDerWaalsContact C-N 3.3Å; E339-L341 PolarHBondContact O-N 2.88Å; L341-G343 PolarHBondContact O-N 3.34Å; L341-R390 PolarHBondContact O-NH1 2.81Å; L341-M397 HydrophobicContact CB-SD 3.77Å; L341-M397 HydrophobicContact CD1-CG 4.44Å; L341-M397 HydrophobicContact CD1-SD 3.62Å; L341-M397 HydrophobicContact CG-SD 4.37Å; L341-R473 HydrophobicContact CD1-CB 3.87Å; L341-L474 HydrophobicContact CD1-CD2 4.5Å; L341-L474 HydrophobicContact CD2-CD2 3.94Å; L341-L474 HydrophobicContact CD2-CG 4.48Å; L341-L474 HydrophobicContact CG-CD2 3.98Å
342K93.3Very high95.1Very high42 Ų4218 Ų1818%0.18310%0.099CC..THydrogen-bonded Turntrans56.950178.5-61.2173.4-166.9168.70111.3L338 E339 V340 I381 H385 E481L338-K342 PolarHBondContact O-N 2.9Å; L338-K342 VanDerWaalsContact O-N 3.15Å; E339-K342 PolarHBondContact O-N 3.5Å; V340-K342 PolarHBondContact O-N 3.3Å; K342-I381 HydrophobicContact CG-CG2 4.24Å; K342-H385 VanDerWaalsContact C-CE1 3.46Å; K342-H385 WeakPolarHBondContact CA-CE1 3.31Å; K342-H385 WeakPolarHBondContact CA-NE2 3.43Å; K342-H385 HydrophobicContact CB-CB 4.1Å; K342-H385 VanDerWaalsContact CB-CE1 3.46Å; K342-H385 WeakPolarHBondContact CB-CE1 3.36Å; K342-H385 WeakPolarHBondContact CB-ND1 3.4Å; K342-H385 HydrophobicContact CD-CB 4.02Å; K342-H385 HydrophobicContact CG-CB 4.32Å; K342-H385 PolarHBondContact O-CD2 3.14Å; K342-H385 VanDerWaalsContact O-CD2 3.28Å; K342-H385 PolarHBondContact O-NE2 3.36Å; K342-E481 IonicContact NZ-OE2 3.54Å; K342-E481 PolarHBondContact NZ-OE2 2.97Å
343G90.8Very high95.1Very high6 Ų618 Ų186%0.06210%0.099CC..  trans-86.4160.2-179.300000113.6L338 L341 D393L338-G343 PolarHBondContact O-N 2.97Å; L341-G343 PolarHBondContact O-N 3.34Å; G343-D393 WeakPolarHBondContact CA-OD2 3.34Å
344T88.8Confident95Very high12 Ų1221.3 Ų21.37%0.07412%0.122CC..  trans-83.1137.6-179.4-174.90000112.4K346 D393 S635 T637T344-K346 VanDerWaalsContact C-N 3.29Å; T344-K346 PolarHBondContact OG1-N 3.37Å; T344-D393 WeakPolarHBondContact CG2-OD2 3.43Å; T344-D393 PolarHBondContact N-OD2 3.29Å; T344-S635 PolarHBondContact OG1-OG 2.9Å; T344-T637 HydrophobicContact CG2-CG2 3.85Å; T344-T637 PolarHBondContact OG1-OG1 3.19Å
345T90Very high94.9Very high28 Ų2828.4 Ų28.417%0.17216%0.159CC..G310 helixtrans-78.5-14.1173.462.10000112.9A347 F348 L372 D373T345-A347 PolarHBondContact O-N 3.14Å; T345-F348 WeakPolarHBondContact O-CD2 3.33Å; T345-F348 PolarHBondContact O-N 2.91Å; T345-F348 VanDerWaalsContact O-N 3.1Å; T345-L372 HydrophobicContact CG2-CB 3.81Å; T345-L372 HydrophobicContact CG2-CD1 4.16Å; T345-D373 HydrophobicContact CG2-CB 4.07Å
346K88.8Confident94.9Very high40 Ų4034.8 Ų34.817%0.17418%0.183CC..G310 helixtrans-62.7-26-177.3-71.8-65.8-174.8-170.40114.2T344 F348 D349 I352 R632 P633 A638T344-K346 VanDerWaalsContact C-N 3.29Å; T344-K346 PolarHBondContact OG1-N 3.37Å; K346-F348 PolarHBondContact O-N 3.26Å; K346-F348 VanDerWaalsContact O-N 3.15Å; K346-D349 WeakPolarHBondContact O-CB 3.42Å; K346-D349 PolarHBondContact O-N 2.96Å; K346-I352 WeakPolarHBondContact O-CD1 3.14Å; K346-R632 PolarHBondContact NZ-O 3.31Å; K346-P633 WeakPolarHBondContact CE-O 3.35Å; K346-P633 PolarHBondContact NZ-O 2.96Å; K346-A638 HydrophobicContact CD-CB 4.1Å; K346-A638 HydrophobicContact CG-CB 4.05Å
347A91.7Very high94.8Very high12 Ų1239.4 Ų39.410%0.09921%0.213CC..G310 helixtrans-60.8-20.9176.700000113.3T345 H353 R398T345-A347 PolarHBondContact O-N 3.14Å; A347-H353 PolarHBondContact O-CE1 3.17Å; A347-H353 PolarHBondContact O-NE2 3.32Å; A347-R398 HydrophobicContact CB-CB 4.31Å; A347-R398 HydrophobicContact CB-CG 3.75Å
348F94.6Very high94.8Very high1 Ų143.7 Ų43.70%0.00423%0.233CC..G310 helixtrans-103.28.5-173.7-49.1-74.8000113.3L338 T345 K346 S350 H353 F368 R369 L372 P401L338-F348 HydrophobicContact CD1-CE2 3.49Å; L338-F348 VanDerWaalsContact CD1-CE2 3.49Å; L338-F348 HydrophobicContact CD1-CZ 3.47Å; L338-F348 VanDerWaalsContact CD1-CZ 3.47Å; L338-F348 HydrophobicContact CD2-CE2 4.47Å; T345-F348 WeakPolarHBondContact O-CD2 3.33Å; T345-F348 PolarHBondContact O-N 2.91Å; T345-F348 VanDerWaalsContact O-N 3.1Å; K346-F348 PolarHBondContact O-N 3.26Å; K346-F348 VanDerWaalsContact O-N 3.15Å; F348-S350 PolarHBondContact O-N 2.85Å; F348-H353 VanDerWaalsContact CA-NE2 3.33Å; F348-H353 WeakPolarHBondContact CA-NE2 3.32Å; F348-F368 HydrophobicContact CB-CB 4.13Å; F348-F368 HydrophobicContact CD1-CB 3.46Å; F348-F368 VanDerWaalsContact CD1-CB 3.46Å; F348-F368 AromaticContact CD1-CD1 3.96Å; F348-F368 HydrophobicContact CD1-CD1 3.96Å; F348-F368 HydrophobicContact CD1-CD2 4.11Å; F348-F368 AromaticContact CD1-CG 3.58Å; F348-F368 HydrophobicContact CD1-CG 3.58Å; F348-F368 HydrophobicContact CD2-CB 4.17Å; F348-F368 HydrophobicContact CD2-CD1 4.43Å; F348-F368 HydrophobicContact CE1-CB 3.87Å; F348-F368 AromaticContact CE1-CD1 3.41Å; F348-F368 HydrophobicContact CE1-CD1 3.41Å; F348-F368 VanDerWaalsContact CE1-CD1 3.41Å; F348-F368 AromaticContact CE1-CD2 3.91Å; F348-F368 HydrophobicContact CE1-CD2 3.91Å; F348-F368 AromaticContact CE1-CE1 3.82Å; F348-F368 HydrophobicContact CE1-CE1 3.82Å; F348-F368 HydrophobicContact CE1-CE2 4.29Å; F348-F368 AromaticContact CE1-CG 3.45Å; F348-F368 HydrophobicContact CE1-CG 3.45Å; F348-F368 VanDerWaalsContact CE1-CG 3.45Å; F348-F368 HydrophobicContact CE1-CZ 4.23Å; F348-F368 AromaticContact CE2-CD1 3.99Å; F348-F368 HydrophobicContact CE2-CD1 3.99Å; F348-F368 HydrophobicContact CG-CB 3.63Å; F348-F368 HydrophobicContact CG-CD1 4.45Å; F348-F368 HydrophobicContact CG-CG 4.18Å; F348-F368 HydrophobicContact CZ-CB 4.41Å; F348-F368 AromaticContact CZ-CD1 3.45Å; F348-F368 HydrophobicContact CZ-CD1 3.45Å; F348-F368 VanDerWaalsContact CZ-CD1 3.45Å; F348-F368 AromaticContact CZ-CE1 3.77Å; F348-F368 HydrophobicContact CZ-CE1 3.77Å; F348-F368 AromaticContact CZ-CG 3.98Å; F348-F368 HydrophobicContact CZ-CG 3.98Å; F348-R369 HydrophobicContact CB-CG 3.99Å; F348-R369 WeakPolarHBondContact O-CD 3.45Å; F348-R369 WeakPolarHBondContact O-CG 3.45Å; F348-R369 PolarHBondContact O-NH1 3.14Å; F348-L372 HydrophobicContact CD2-CD1 3.65Å; F348-L372 HydrophobicContact CE2-CD1 3.57Å; F348-L372 HydrophobicContact CZ-CD1 4.38Å; F348-P401 HydrophobicContact CD1-CG 3.59Å; F348-P401 HydrophobicContact CE1-CG 3.8Å
349D94Very high94.9Very high21 Ų2148 Ų4811%0.11226%0.261CS..  trans-55.7131.5-178.9-172.6-62.6000111.3K346 D351 I352 H353 E630 R632K346-D349 WeakPolarHBondContact O-CB 3.42Å; K346-D349 PolarHBondContact O-N 2.96Å; D349-D351 PolarHBondContact O-N 3.02Å; D349-D351 WeakPolarHBondContact OD1-CB 3.38Å; D349-D351 PolarHBondContact OD1-N 3.08Å; D349-I352 HydrophobicContact CB-CD1 3.98Å; D349-I352 HydrophobicContact CB-CG1 4.14Å; D349-I352 WeakPolarHBondContact O-CB 3.32Å; D349-I352 PolarHBondContact O-N 2.98Å; D349-I352 VanDerWaalsContact O-N 3.11Å; D349-H353 PolarHBondContact O-CD2 2.95Å; D349-H353 PolarHBondContact O-N 2.87Å; D349-E630 WeakPolarHBondContact CA-OE1 3.3Å; D349-R632 VanDerWaalsContact CG-NH1 3.25Å; D349-R632 IonicContact OD1-CZ 3.65Å; D349-R632 IonicContact OD1-NH1 3.6Å; D349-R632 PolarHBondContact OD1-NH1 3.28Å; D349-R632 IonicContact OD1-NH2 2.75Å; D349-R632 PolarHBondContact OD1-NH2 3.34Å; D349-R632 IonicContact OD2-CZ 3.54Å; D349-R632 VanDerWaalsContact OD2-CZ 3.24Å; D349-R632 IonicContact OD2-NE 3.02Å; D349-R632 IonicContact OD2-NH1 2.74Å; D349-R632 PolarHBondContact OD2-NH1 3.3Å
350S95.1Very high95Very high37 Ų3747.8 Ų47.826%0.25926%0.261SS..Hα-helixtrans-60.3-29.2-174.471.90000113.3F348 H353 S354 E630F348-S350 PolarHBondContact O-N 2.85Å; S350-H353 PolarHBondContact O-N 3.37Å; S350-S354 WeakPolarHBondContact O-CB 3.29Å; S350-S354 PolarHBondContact O-N 3.14Å; S350-E630 WeakPolarHBondContact CB-OE2 3.48Å; S350-E630 PolarHBondContact N-OE1 3.44Å; S350-E630 PolarHBondContact OG-OE2 3.41Å
351D95.7Very high95Very high80 Ų8048 Ų4843%0.42826%0.262SS..Hα-helixtrans-71-34.9178.3-65.1-29.3000111.9D349 H353 S354 L355 R632D349-D351 PolarHBondContact O-N 3.02Å; D349-D351 WeakPolarHBondContact OD1-CB 3.38Å; D349-D351 PolarHBondContact OD1-N 3.08Å; D351-H353 PolarHBondContact O-N 2.96Å; D351-S354 WeakPolarHBondContact CA-OG 3.25Å; D351-S354 PolarHBondContact O-N 3.22Å; D351-S354 PolarHBondContact O-OG 3.22Å; D351-L355 VanDerWaalsContact O-CG 3.25Å; D351-L355 WeakPolarHBondContact O-CG 3.25Å; D351-L355 PolarHBondContact O-N 3.43Å; D351-R632 VanDerWaalsContact CG-NH2 3.28Å; D351-R632 IonicContact OD1-NH2 2.71Å; D351-R632 IonicContact OD2-CZ 3.52Å; D351-R632 IonicContact OD2-NH1 2.84Å; D351-R632 PolarHBondContact OD2-NH1 2.83Å; D351-R632 IonicContact OD2-NH2 3.58Å; D351-R632 PolarHBondContact OD2-NH2 2.9Å
352I95.9Very high95.1Very high84 Ų8450.6 Ų50.643%0.43128%0.278SS..Hα-helixtrans-60.6-42.3175.7-64.9175.4000109.7K346 D349K346-I352 WeakPolarHBondContact O-CD1 3.14Å; D349-I352 HydrophobicContact CB-CD1 3.98Å; D349-I352 HydrophobicContact CB-CG1 4.14Å; D349-I352 WeakPolarHBondContact O-CB 3.32Å; D349-I352 PolarHBondContact O-N 2.98Å; D349-I352 VanDerWaalsContact O-N 3.11Å
353H97.5Very high95.3Very high1 Ų151.5 Ų51.51%0.00528%0.282CS..Hα-helixtrans-83.4-27.2-175.5-54.8-61.3000112.9A347 F348 D349 S350 D351 L355 R356 Q361 A365A347-H353 PolarHBondContact O-CE1 3.17Å; A347-H353 PolarHBondContact O-NE2 3.32Å; F348-H353 VanDerWaalsContact CA-NE2 3.33Å; F348-H353 WeakPolarHBondContact CA-NE2 3.32Å; D349-H353 PolarHBondContact O-CD2 2.95Å; D349-H353 PolarHBondContact O-N 2.87Å; S350-H353 PolarHBondContact O-N 3.37Å; D351-H353 PolarHBondContact O-N 2.96Å; H353-L355 VanDerWaalsContact C-N 3.3Å; H353-L355 PolarHBondContact O-N 3Å; H353-R356 CarbonylContact O-C 3.08Å; H353-R356 PolarHBondContact O-N 2.83Å; H353-Q361 PolarHBondContact ND1-NE2 3.33Å; H353-A365 HydrophobicContact CB-CB 4.37Å; H353-A365 WeakPolarHBondContact CD2-CB 3.25Å; H353-A365 WeakPolarHBondContact NE2-CB 3.44Å
354S97.1Very high95.7Very high70 Ų7051.2 Ų51.249%0.4928%0.28SS..Hα-helixtrans-67.2-32.2171.973.30000112.1S350 D351 R356S350-S354 WeakPolarHBondContact O-CB 3.29Å; S350-S354 PolarHBondContact O-N 3.14Å; D351-S354 WeakPolarHBondContact CA-OG 3.25Å; D351-S354 PolarHBondContact O-N 3.22Å; D351-S354 PolarHBondContact O-OG 3.22Å; S354-R356 PolarHBondContact O-N 3.44Å
355L98Very high96.1Very high152 Ų15250.6 Ų50.680%0.79628%0.276SS*.THydrogen-bonded Turntrans-70-17.7174-69.3172.5000113.6D351 H353D351-L355 VanDerWaalsContact O-CG 3.25Å; D351-L355 WeakPolarHBondContact O-CG 3.25Å; D351-L355 PolarHBondContact O-N 3.43Å; H353-L355 VanDerWaalsContact C-N 3.3Å; H353-L355 PolarHBondContact O-N 3Å
356R97.9Very high96.5Very high134 Ų13450.8 Ų50.851%0.50628%0.276SS..SBendtrans-131.976.6172.5-169.9-175.4179.8-169.52.1109.8H353 S354 H358 Q361H353-R356 CarbonylContact O-C 3.08Å; H353-R356 PolarHBondContact O-N 2.83Å; S354-R356 PolarHBondContact O-N 3.44Å; R356-H358 PolarHBondContact O-N 2.94Å; R356-Q361 PolarHBondContact O-NE2 2.88Å; R356-Q361 VanDerWaalsContact O-NE2 3.16Å
357P96.6Very high96.9Very high97 Ų9749.7 Ų49.763%0.6327%0.271SS*.  trans-82.950.9-158.935.3-38.9000113.6
358H98.6Very high97.1Very high89 Ų8949.2 Ų49.241%0.41227%0.266SS..  trans-70.5128.4167-67.2-66.9000109.2R356 G360 Q361 T362R356-H358 PolarHBondContact O-N 2.94Å; H358-G360 PolarHBondContact O-N 2.95Å; H358-Q361 HydrophobicContact CB-CB 3.93Å; H358-Q361 WeakPolarHBondContact O-CB 3.38Å; H358-Q361 PolarHBondContact O-N 3.18Å; H358-Q361 VanDerWaalsContact O-N 3.12Å; H358-T362 PolarHBondContact O-N 3.22Å; H358-T362 PolarHBondContact O-OG1 3.35Å
359P98.4Very high97.2Very high92 Ų9250.9 Ų50.960%0.59727%0.272SS*.Hα-helixtrans-55.6-50.1-173.9-27.135.2000113.5Q361 T362 E363P359-Q361 VanDerWaalsContact C-N 3.3Å; P359-Q361 PolarHBondContact O-N 3.17Å; P359-T362 PolarHBondContact O-N 3.3Å; P359-E363 WeakPolarHBondContact O-CB 3.46Å; P359-E363 PolarHBondContact O-N 2.9Å
360G98.4Very high97.3Very high3 Ų349.9 Ų49.93%0.03127%0.267CS..Hα-helixtrans-62.3-36.8178.500000112.8H358 E363 V364 G405 D409H358-G360 PolarHBondContact O-N 2.95Å; G360-E363 PolarHBondContact O-N 3.38Å; G360-V364 VanDerWaalsContact O-CG2 3.24Å; G360-V364 WeakPolarHBondContact O-CG2 3.47Å; G360-V364 PolarHBondContact O-N 3.17Å; G360-G405 WeakPolarHBondContact O-CA 3.31Å; G360-D409 WeakPolarHBondContact CA-OD1 3.36Å; G360-D409 PolarHBondContact N-OD1 3.46Å; G360-D409 PolarHBondContact N-OD2 3.35Å
361Q98.6Very high97.3Very high5 Ų548.1 Ų48.12%0.02326%0.255CS..Hα-helixtrans-64.4-45.2177-172.1-169.1-69.400111.6H353 R356 H358 P359 A365 P401 Q402H353-Q361 PolarHBondContact ND1-NE2 3.33Å; R356-Q361 PolarHBondContact O-NE2 2.88Å; R356-Q361 VanDerWaalsContact O-NE2 3.16Å; H358-Q361 HydrophobicContact CB-CB 3.93Å; H358-Q361 WeakPolarHBondContact O-CB 3.38Å; H358-Q361 PolarHBondContact O-N 3.18Å; H358-Q361 VanDerWaalsContact O-N 3.12Å; P359-Q361 VanDerWaalsContact C-N 3.3Å; P359-Q361 PolarHBondContact O-N 3.17Å; Q361-A365 WeakPolarHBondContact O-CB 3.42Å; Q361-A365 PolarHBondContact O-N 3.31Å; Q361-A365 VanDerWaalsContact O-N 3.07Å; Q361-P401 WeakPolarHBondContact CA-O 3.15Å; Q361-P401 HydrophobicContact CG-CB 3.89Å; Q361-Q402 HydrophobicContact CG-CG 4.41Å
362T98.1Very high97.3Very high56 Ų5644.4 Ų44.434%0.34424%0.235SC..Hα-helixtrans-63-43.7177.8-61.10000111.5H358 P359 A365 L366H358-T362 PolarHBondContact O-N 3.22Å; H358-T362 PolarHBondContact O-OG1 3.35Å; P359-T362 PolarHBondContact O-N 3.3Å; T362-A365 PolarHBondContact O-N 3.11Å; T362-L366 WeakPolarHBondContact O-CB 3.34Å; T362-L366 PolarHBondContact O-N 2.76Å
363E97.7Very high97.2Very high61 Ų6141 Ų4129%0.28522%0.218SC..Hα-helixtrans-64.9-45.1179.7175.760-165.300112P359 G360 L366 R367P359-E363 WeakPolarHBondContact O-CB 3.46Å; P359-E363 PolarHBondContact O-N 2.9Å; G360-E363 PolarHBondContact O-N 3.38Å; E363-L366 WeakPolarHBondContact O-CB 3.09Å; E363-L366 PolarHBondContact O-N 2.96Å; E363-R367 PolarHBondContact O-N 3.34Å; E363-R367 VanDerWaalsContact O-N 3.09Å; E363-R367 IonicContact OE1-CZ 3.07Å; E363-R367 VanDerWaalsContact OE1-CZ 3.23Å; E363-R367 IonicContact OE1-NE 2.7Å; E363-R367 PolarHBondContact OE1-NE 2.99Å; E363-R367 IonicContact OE1-NH2 3.3Å; E363-R367 PolarHBondContact OE1-NH2 3.42Å
364V98.5Very high96.8Very high0 Ų041.5 Ų41.50%022%0.221CC..Hα-helixtrans-61.5-48.8176.3172.30000110.2D331 G360 L366 R367 F368 P401 H404 N408D331-V364 WeakPolarHBondContact OD1-CG1 3.41Å; G360-V364 VanDerWaalsContact O-CG2 3.24Å; G360-V364 WeakPolarHBondContact O-CG2 3.47Å; G360-V364 PolarHBondContact O-N 3.17Å; V364-L366 PolarHBondContact O-N 3.42Å; V364-R367 WeakPolarHBondContact O-CB 3.27Å; V364-R367 PolarHBondContact O-N 2.9Å; V364-F368 HydrophobicContact CG1-CD2 3.69Å; V364-F368 HydrophobicContact CG1-CE2 3.59Å; V364-F368 WeakPolarHBondContact O-CD2 3.36Å; V364-F368 PolarHBondContact O-N 3.07Å; V364-P401 HydrophobicContact CB-CB 4.5Å; V364-P401 HydrophobicContact CG1-CB 4.31Å; V364-P401 HydrophobicContact CG1-CG 4.43Å; V364-H404 HydrophobicContact CG1-CB 4.09Å; V364-H404 HydrophobicContact CG2-CB 3.8Å; V364-N408 WeakPolarHBondContact CG2-ND2 3.49Å
365A97.9Very high96.3Very high0 Ų044.2 Ų44.20%023%0.23CC..Hα-helixtrans-58.2-38.7178.800000112.7H353 Q361 T362 F368 R369 P401H353-A365 HydrophobicContact CB-CB 4.37Å; H353-A365 WeakPolarHBondContact CD2-CB 3.25Å; H353-A365 WeakPolarHBondContact NE2-CB 3.44Å; Q361-A365 WeakPolarHBondContact O-CB 3.42Å; Q361-A365 PolarHBondContact O-N 3.31Å; Q361-A365 VanDerWaalsContact O-N 3.07Å; T362-A365 PolarHBondContact O-N 3.11Å; A365-F368 PolarHBondContact O-N 2.85Å; A365-R369 WeakPolarHBondContact O-CG 3.22Å; A365-R369 PolarHBondContact O-N 3.37Å; A365-R369 PolarHBondContact O-NH1 3.31Å; A365-P401 HydrophobicContact CB-CB 4.15Å; A365-P401 HydrophobicContact CB-CG 4.16Å
366L96.4Very high95.6Very high32 Ų3241.4 Ų41.417%0.16821%0.213CC..Hα-helixtrans-60.1-44.2174.3-179.3154.2000111.8T362 E363 V364 F368 R369 S370 Q624T362-L366 WeakPolarHBondContact O-CB 3.34Å; T362-L366 PolarHBondContact O-N 2.76Å; E363-L366 WeakPolarHBondContact O-CB 3.09Å; E363-L366 PolarHBondContact O-N 2.96Å; V364-L366 PolarHBondContact O-N 3.42Å; L366-F368 VanDerWaalsContact C-N 3.34Å; L366-F368 PolarHBondContact O-N 3.35Å; L366-R369 PolarHBondContact O-N 3.36Å; L366-S370 PolarHBondContact O-N 3.39Å; L366-S370 PolarHBondContact O-OG 2.86Å; L366-Q624 HydrophobicContact CD1-CG 4.13Å; L366-Q624 HydrophobicContact CD2-CG 3.66Å; L366-Q624 HydrophobicContact CG-CG 4.47Å
367R97.3Very high95.3Very high17 Ų1736.5 Ų36.56%0.06420%0.196CC..Hα-helixtrans-64.4-38.1177-67.7174.7-167152.72.8112.4D331 E363 V364 S370 L371 I620D331-R367 HydrophobicContact CB-CB 4.47Å; D331-R367 VanDerWaalsContact OD2-CD 3.28Å; D331-R367 WeakPolarHBondContact OD2-CD 3.36Å; D331-R367 IonicContact OD2-CZ 3.54Å; D331-R367 IonicContact OD2-NE 3.34Å; D331-R367 IonicContact OD2-NH1 3.89Å; D331-R367 PolarHBondContact OD2-NH1 3.4Å; E363-R367 PolarHBondContact O-N 3.34Å; E363-R367 VanDerWaalsContact O-N 3.09Å; E363-R367 IonicContact OE1-CZ 3.07Å; E363-R367 VanDerWaalsContact OE1-CZ 3.23Å; E363-R367 IonicContact OE1-NE 2.7Å; E363-R367 PolarHBondContact OE1-NE 2.99Å; E363-R367 IonicContact OE1-NH2 3.3Å; E363-R367 PolarHBondContact OE1-NH2 3.42Å; V364-R367 WeakPolarHBondContact O-CB 3.27Å; V364-R367 PolarHBondContact O-N 2.9Å; R367-S370 WeakPolarHBondContact CA-OG 3.34Å; R367-S370 PolarHBondContact O-N 3.48Å; R367-S370 PolarHBondContact O-OG 3.23Å; R367-L371 WeakPolarHBondContact O-CD1 3.3Å; R367-L371 WeakPolarHBondContact O-CG 3.36Å; R367-L371 PolarHBondContact O-N 3.35Å; R367-I620 HydrophobicContact CG-CD1 4.45Å; R367-I620 HydrophobicContact CG-CG2 4.2Å
368F97.6Very high95.1Very high1 Ų135 Ų350%0.00419%0.186CC..Hα-helixtrans-62.1-46.8172.8-85.7-93.6000111.1D331 A334 A335 F348 V364 A365 L366 S370 L371 L372 C400D331-F368 HydrophobicContact CB-CE2 4.24Å; A334-F368 HydrophobicContact CB-CE1 4.19Å; A334-F368 HydrophobicContact CB-CZ 3.65Å; A335-F368 HydrophobicContact CB-CD1 4.07Å; A335-F368 HydrophobicContact CB-CE1 4.06Å; F348-F368 HydrophobicContact CB-CB 4.13Å; F348-F368 HydrophobicContact CD1-CB 3.46Å; F348-F368 VanDerWaalsContact CD1-CB 3.46Å; F348-F368 AromaticContact CD1-CD1 3.96Å; F348-F368 HydrophobicContact CD1-CD1 3.96Å; F348-F368 HydrophobicContact CD1-CD2 4.11Å; F348-F368 AromaticContact CD1-CG 3.58Å; F348-F368 HydrophobicContact CD1-CG 3.58Å; F348-F368 HydrophobicContact CD2-CB 4.17Å; F348-F368 HydrophobicContact CD2-CD1 4.43Å; F348-F368 HydrophobicContact CE1-CB 3.87Å; F348-F368 AromaticContact CE1-CD1 3.41Å; F348-F368 HydrophobicContact CE1-CD1 3.41Å; F348-F368 VanDerWaalsContact CE1-CD1 3.41Å; F348-F368 AromaticContact CE1-CD2 3.91Å; F348-F368 HydrophobicContact CE1-CD2 3.91Å; F348-F368 AromaticContact CE1-CE1 3.82Å; F348-F368 HydrophobicContact CE1-CE1 3.82Å; F348-F368 HydrophobicContact CE1-CE2 4.29Å; F348-F368 AromaticContact CE1-CG 3.45Å; F348-F368 HydrophobicContact CE1-CG 3.45Å; F348-F368 VanDerWaalsContact CE1-CG 3.45Å; F348-F368 HydrophobicContact CE1-CZ 4.23Å; F348-F368 AromaticContact CE2-CD1 3.99Å; F348-F368 HydrophobicContact CE2-CD1 3.99Å; F348-F368 HydrophobicContact CG-CB 3.63Å; F348-F368 HydrophobicContact CG-CD1 4.45Å; F348-F368 HydrophobicContact CG-CG 4.18Å; F348-F368 HydrophobicContact CZ-CB 4.41Å; F348-F368 AromaticContact CZ-CD1 3.45Å; F348-F368 HydrophobicContact CZ-CD1 3.45Å; F348-F368 VanDerWaalsContact CZ-CD1 3.45Å; F348-F368 AromaticContact CZ-CE1 3.77Å; F348-F368 HydrophobicContact CZ-CE1 3.77Å; F348-F368 AromaticContact CZ-CG 3.98Å; F348-F368 HydrophobicContact CZ-CG 3.98Å; V364-F368 HydrophobicContact CG1-CD2 3.69Å; V364-F368 HydrophobicContact CG1-CE2 3.59Å; V364-F368 WeakPolarHBondContact O-CD2 3.36Å; V364-F368 PolarHBondContact O-N 3.07Å; A365-F368 PolarHBondContact O-N 2.85Å; L366-F368 VanDerWaalsContact C-N 3.34Å; L366-F368 PolarHBondContact O-N 3.35Å; F368-S370 VanDerWaalsContact C-N 3.26Å; F368-S370 PolarHBondContact O-N 3.28Å; F368-L371 PolarHBondContact O-N 3.31Å; F368-L371 VanDerWaalsContact O-N 3.11Å; F368-L372 HydrophobicContact CB-CD1 4.18Å; F368-L372 HydrophobicContact CD1-CD1 3.83Å; F368-L372 HydrophobicContact CD1-CG 4.43Å; F368-L372 WeakPolarHBondContact O-CB 3.41Å; F368-L372 VanDerWaalsContact O-CG 3.29Å; F368-L372 WeakPolarHBondContact O-CG 3.47Å; F368-L372 PolarHBondContact O-N 2.81Å; F368-C400 HydrophobicContact CE1-CB 4.4Å; F368-C400 HydrophobicContact CE2-CB 3.77Å; F368-C400 HydrophobicContact CZ-CB 3.52Å
369R95.6Very high94.9Very high36 Ų3630.9 Ų30.914%0.13617%0.167CC..Hα-helixtrans-61.6-30.9177.8-69.8-167-57-80.60.5113.7F348 A365 L366 L371 Y623 E630F348-R369 HydrophobicContact CB-CG 3.99Å; F348-R369 WeakPolarHBondContact O-CD 3.45Å; F348-R369 WeakPolarHBondContact O-CG 3.45Å; F348-R369 PolarHBondContact O-NH1 3.14Å; A365-R369 WeakPolarHBondContact O-CG 3.22Å; A365-R369 PolarHBondContact O-N 3.37Å; A365-R369 PolarHBondContact O-NH1 3.31Å; L366-R369 PolarHBondContact O-N 3.36Å; R369-L371 VanDerWaalsContact C-N 3.31Å; R369-Y623 HydrophobicContact CB-CE1 4.43Å; R369-E630 WeakPolarHBondContact CD-OE1 3.37Å; R369-E630 IonicContact NE-OE1 3.38Å
370S95.7Very high94.8Very high1 Ų131.3 Ų31.31%0.00716%0.161CC..Hα-helixtrans-79.5-12.3178660000114.1L366 R367 F368 I620 Y623L366-S370 PolarHBondContact O-N 3.39Å; L366-S370 PolarHBondContact O-OG 2.86Å; R367-S370 WeakPolarHBondContact CA-OG 3.34Å; R367-S370 PolarHBondContact O-N 3.48Å; R367-S370 PolarHBondContact O-OG 3.23Å; F368-S370 VanDerWaalsContact C-N 3.26Å; F368-S370 PolarHBondContact O-N 3.28Å; S370-I620 WeakPolarHBondContact OG-CG1 3.31Å; S370-Y623 VanDerWaalsContact CB-CB 3.47Å
371L96.6Very high94.6Very high0 Ų031.2 Ų31.20%016%0.16CC..Hα-helixtrans-111.9-28.9-176.4-62.9172.9000113.9I332 A335 R367 F368 R369 T573 P575 L576 A616 I620I332-L371 HydrophobicContact CB-CD1 4.38Å; I332-L371 HydrophobicContact CG1-CD1 3.84Å; A335-L371 HydrophobicContact CB-CB 4.35Å; A335-L371 HydrophobicContact CB-CD1 4.36Å; R367-L371 WeakPolarHBondContact O-CD1 3.3Å; R367-L371 WeakPolarHBondContact O-CG 3.36Å; R367-L371 PolarHBondContact O-N 3.35Å; F368-L371 PolarHBondContact O-N 3.31Å; F368-L371 VanDerWaalsContact O-N 3.11Å; R369-L371 VanDerWaalsContact C-N 3.31Å; L371-T573 WeakPolarHBondContact O-CB 3.46Å; L371-T573 WeakPolarHBondContact O-CG2 3.24Å; L371-T573 PolarHBondContact O-OG1 3.05Å; L371-P575 HydrophobicContact CD2-CB 3.74Å; L371-P575 HydrophobicContact CD2-CG 4.11Å; L371-L576 HydrophobicContact CB-CD2 4.4Å; L371-A616 HydrophobicContact CD2-CB 4.1Å; L371-I620 HydrophobicContact CD1-CD1 4.46Å; L371-I620 HydrophobicContact CD2-CD1 4.47Å; L371-I620 HydrophobicContact CD2-CG1 4.07Å; L371-I620 HydrophobicContact CG-CG1 4.37Å
372L95.3Very high94.2Very high2 Ų231.4 Ų31.41%0.0116%0.163CC..SBendtrans-89.1173.6-175-66.1179000113.6A335 L338 E339 T345 F348 F368 S374 L576A335-L372 HydrophobicContact CB-CD2 3.98Å; A335-L372 HydrophobicContact CB-CG 4.44Å; L338-L372 HydrophobicContact CD2-CD1 3.75Å; L338-L372 HydrophobicContact CD2-CD2 3.8Å; L338-L372 HydrophobicContact CD2-CG 4.43Å; E339-L372 HydrophobicContact CG-CD2 3.86Å; T345-L372 HydrophobicContact CG2-CB 3.81Å; T345-L372 HydrophobicContact CG2-CD1 4.16Å; F348-L372 HydrophobicContact CD2-CD1 3.65Å; F348-L372 HydrophobicContact CE2-CD1 3.57Å; F348-L372 HydrophobicContact CZ-CD1 4.38Å; F368-L372 HydrophobicContact CB-CD1 4.18Å; F368-L372 HydrophobicContact CD1-CD1 3.83Å; F368-L372 HydrophobicContact CD1-CG 4.43Å; F368-L372 WeakPolarHBondContact O-CB 3.41Å; F368-L372 VanDerWaalsContact O-CG 3.29Å; F368-L372 WeakPolarHBondContact O-CG 3.47Å; F368-L372 PolarHBondContact O-N 2.81Å; L372-S374 PolarHBondContact O-N 3.02Å; L372-L576 HydrophobicContact CD2-CD1 4.26Å
373D93.1Very high93.8Very high13 Ų1333.6 Ų33.67%0.0717%0.169CC..SBendtrans-45.9124179.5-174.554.9000112.8T345 H377 P378 S379 A382 R386T345-D373 HydrophobicContact CG2-CB 4.07Å; D373-H377 WeakPolarHBondContact CA-O 3.34Å; D373-P378 WeakPolarHBondContact OD1-CA 3.48Å; D373-S379 PolarHBondContact OD1-N 3.29Å; D373-A382 HydrophobicContact CB-CB 3.51Å; D373-R386 IonicContact OD2-CZ 2.8Å; D373-R386 IonicContact OD2-NH1 2.7Å; D373-R386 IonicContact OD2-NH2 3.69Å; D373-R386 PolarHBondContact OD2-NH2 3.32Å
374S89.1Confident93.3Very high10 Ų1033.9 Ų33.97%0.0718%0.177CC..  trans-156.4169.7177.360.90000109.8L372 H376 H377L372-S374 PolarHBondContact O-N 3.02Å; S374-H376 PolarHBondContact O-N 2.77Å; S374-H377 PolarHBondContact N-O 2.97Å; S374-H377 CarbonylContact O-C 3.15Å; S374-H377 PolarHBondContact O-N 2.88Å; S374-H377 VanDerWaalsContact O-N 3.13Å; S374-H377 PolarHBondContact OG-N 2.74Å; S374-H377 VanDerWaalsContact OG-N 3.16Å
375D86.1Confident92.6Very high128 Ų12835.2 Ų35.268%0.68418%0.184SC*.SBendtrans-57.3-23.6174.9-63.4-54.8000113.4S631D375-S631 VanDerWaalsContact CG-OG 3.28Å; D375-S631 PolarHBondContact N-OG 2.9Å; D375-S631 WeakPolarHBondContact OD2-CB 3.48Å; D375-S631 PolarHBondContact OD2-OG 3.03Å
376H84.8Confident91.7Very high93 Ų9337.3 Ų37.343%0.43119%0.192SC..SBendtrans-93.2-28.1-179.5-56.7-74.5000113.1S374 I628S374-H376 PolarHBondContact O-N 2.77Å; H376-I628 WeakPolarHBondContact CD2-CG2 3.32Å; H376-I628 WeakPolarHBondContact NE2-CG2 3.42Å
377H90.3Very high90.8Very high31 Ų3143.2 Ų43.214%0.14422%0.216CC..SBendtrans-132.172.5-179.6-70.4-31.7000109.2D373 S374 T573 Y619D373-H377 WeakPolarHBondContact CA-O 3.34Å; S374-H377 PolarHBondContact N-O 2.97Å; S374-H377 CarbonylContact O-C 3.15Å; S374-H377 PolarHBondContact O-N 2.88Å; S374-H377 VanDerWaalsContact O-N 3.13Å; S374-H377 PolarHBondContact OG-N 2.74Å; S374-H377 VanDerWaalsContact OG-N 3.16Å; H377-T573 HydrophobicContact CB-CG2 4.3Å; H377-T573 VanDerWaalsContact O-CG2 3.31Å; H377-T573 WeakPolarHBondContact O-CG2 3.36Å; H377-Y619 AromaticContact CE1-CD1 3.82Å; H377-Y619 AromaticContact NE2-CD1 3.71Å
378P92.7Very high89.8Confident65 Ų6544.3 Ų44.342%0.42223%0.226SC..  trans-67.6137.7-178.427.8-34.8000110.6D373D373-P378 WeakPolarHBondContact OD1-CA 3.48Å
379S95.4Very high88.6Confident3 Ų352.1 Ų52.12%0.02127%0.268CS..  trans-111.1125.81731700000110.8E339 D373 I381 A382 E383E339-S379 VanDerWaalsContact OE2-CB 3.28Å; E339-S379 WeakPolarHBondContact OE2-CB 3.4Å; E339-S379 PolarHBondContact OE2-OG 2.76Å; D373-S379 PolarHBondContact OD1-N 3.29Å; S379-I381 VanDerWaalsContact C-N 3.27Å; S379-I381 PolarHBondContact OG-N 2.82Å; S379-A382 PolarHBondContact O-N 3.06Å; S379-A382 PolarHBondContact OG-N 3.19Å; S379-E383 PolarHBondContact O-N 2.95Å
380E96Very high87.7Confident101 Ų10153.4 Ų53.447%0.47227%0.273SS..Hα-helixtrans-71.3-29.8174.1-58.3176.3151.600110.8S384 L570 R571E380-S384 WeakPolarHBondContact O-CB 3.45Å; E380-S384 PolarHBondContact O-N 3.35Å; E380-L570 HydrophobicContact CB-CB 4.27Å; E380-L570 HydrophobicContact CB-CD2 4.1Å; E380-R571 WeakPolarHBondContact CB-O 3.35Å; E380-R571 PolarHBondContact N-O 2.88Å; E380-R571 WeakPolarHBondContact OE2-CB 3.46Å; E380-R571 PolarHBondContact OE2-N 3.48Å
381I94.1Very high86.6Confident0 Ų058.3 Ų58.30%030%0.302CS..Hα-helixtrans-65.3-48172.8-62172.8000109.5E339 K342 S379 E383 S384 H385 L567 L570 R571E339-I381 WeakPolarHBondContact O-CG2 3.48Å; K342-I381 HydrophobicContact CG-CG2 4.24Å; S379-I381 VanDerWaalsContact C-N 3.27Å; S379-I381 PolarHBondContact OG-N 2.82Å; I381-E383 VanDerWaalsContact C-N 3.34Å; I381-E383 PolarHBondContact O-N 3.49Å; I381-S384 PolarHBondContact O-N 3.25Å; I381-S384 PolarHBondContact O-OG 3.3Å; I381-H385 PolarHBondContact O-CE1 3.37Å; I381-H385 PolarHBondContact O-ND1 2.76Å; I381-L567 HydrophobicContact CD1-CB 4.26Å; I381-L567 HydrophobicContact CD1-CD1 3.91Å; I381-L567 HydrophobicContact CG1-CD1 4.41Å; I381-L567 HydrophobicContact CG2-CD1 4.03Å; I381-L570 HydrophobicContact CG1-CB 3.73Å; I381-R571 PolarHBondContact N-O 3.07Å
382A90.4Very high85.9Confident10 Ų1064.4 Ų64.48%0.08333%0.331CS..Hα-helixtrans-56.6-46.917500000112.4D373 S379 S384 H385 R386D373-A382 HydrophobicContact CB-CB 3.51Å; S379-A382 PolarHBondContact O-N 3.06Å; S379-A382 PolarHBondContact OG-N 3.19Å; A382-S384 VanDerWaalsContact C-N 3.33Å; A382-S384 PolarHBondContact O-N 3.3Å; A382-H385 WeakPolarHBondContact CA-CE1 3.15Å; A382-H385 PolarHBondContact O-N 2.96Å; A382-H385 PolarHBondContact O-ND1 3.25Å; A382-R386 PolarHBondContact O-N 3.26Å
383E89.2Confident85.6Confident101 Ų10164.7 Ų64.747%0.47233%0.333SS..Hα-helixtrans-62-39.8179-167.759.7-144.700112.5S379 I381 H385 R386S379-E383 PolarHBondContact O-N 2.95Å; I381-E383 VanDerWaalsContact C-N 3.34Å; I381-E383 PolarHBondContact O-N 3.49Å; E383-H385 PolarHBondContact O-N 2.91Å; E383-R386 VanDerWaalsContact CD-NE 3.34Å; E383-R386 WeakPolarHBondContact O-CB 3.43Å; E383-R386 PolarHBondContact O-N 3.05Å; E383-R386 VanDerWaalsContact O-N 3.16Å; E383-R386 IonicContact OE1-NE 3.93Å; E383-R386 PolarHBondContact OE1-NE 2.98Å; E383-R386 IonicContact OE2-CZ 3.4Å; E383-R386 IonicContact OE2-NE 3.15Å; E383-R386 PolarHBondContact OE2-NE 3.47Å; E383-R386 IonicContact OE2-NH2 3.3Å; E383-R386 PolarHBondContact OE2-NH2 3.24Å
384S87.9Confident85.5Confident67 Ų6765.2 Ų65.247%0.46934%0.338SS..Hα-helixtrans-60.4-19.7-176.475.20000114.6E380 I381 A382E380-S384 WeakPolarHBondContact O-CB 3.45Å; E380-S384 PolarHBondContact O-N 3.35Å; I381-S384 PolarHBondContact O-N 3.25Å; I381-S384 PolarHBondContact O-OG 3.3Å; A382-S384 VanDerWaalsContact C-N 3.33Å; A382-S384 PolarHBondContact O-N 3.3Å
385H82.7Confident85.9Confident29 Ų2972.4 Ų72.413%0.13437%0.365CS..THydrogen-bonded Turntrans-125.412.6-178.272.9-93.1000113.1K342 I381 A382 E383 F387 C388K342-H385 VanDerWaalsContact C-CE1 3.46Å; K342-H385 WeakPolarHBondContact CA-CE1 3.31Å; K342-H385 WeakPolarHBondContact CA-NE2 3.43Å; K342-H385 HydrophobicContact CB-CB 4.1Å; K342-H385 VanDerWaalsContact CB-CE1 3.46Å; K342-H385 WeakPolarHBondContact CB-CE1 3.36Å; K342-H385 WeakPolarHBondContact CB-ND1 3.4Å; K342-H385 HydrophobicContact CD-CB 4.02Å; K342-H385 HydrophobicContact CG-CB 4.32Å; K342-H385 PolarHBondContact O-CD2 3.14Å; K342-H385 VanDerWaalsContact O-CD2 3.28Å; K342-H385 PolarHBondContact O-NE2 3.36Å; I381-H385 PolarHBondContact O-CE1 3.37Å; I381-H385 PolarHBondContact O-ND1 2.76Å; A382-H385 WeakPolarHBondContact CA-CE1 3.15Å; A382-H385 PolarHBondContact O-N 2.96Å; A382-H385 PolarHBondContact O-ND1 3.25Å; E383-H385 PolarHBondContact O-N 2.91Å; H385-F387 PolarHBondContact O-N 2.6Å; H385-C388 PolarHBondContact O-N 3.1Å; H385-C388 VanDerWaalsContact O-N 3.12Å; H385-C388 PolarHBondContact O-SG 2.89Å; H385-C388 VanDerWaalsContact O-SG 3.36Å
386R79.6Confident86.4Confident43 Ų4367.4 Ų67.416%0.16234%0.339CS..THydrogen-bonded Turntrans-55.2-26.8-175.2-173.6175.8-62.3-75.5-1.1113.1D373 A382 E383 N634 P636D373-R386 IonicContact OD2-CZ 2.8Å; D373-R386 IonicContact OD2-NH1 2.7Å; D373-R386 IonicContact OD2-NH2 3.69Å; D373-R386 PolarHBondContact OD2-NH2 3.32Å; A382-R386 PolarHBondContact O-N 3.26Å; E383-R386 VanDerWaalsContact CD-NE 3.34Å; E383-R386 WeakPolarHBondContact O-CB 3.43Å; E383-R386 PolarHBondContact O-N 3.05Å; E383-R386 VanDerWaalsContact O-N 3.16Å; E383-R386 IonicContact OE1-NE 3.93Å; E383-R386 PolarHBondContact OE1-NE 2.98Å; E383-R386 IonicContact OE2-CZ 3.4Å; E383-R386 IonicContact OE2-NE 3.15Å; E383-R386 PolarHBondContact OE2-NE 3.47Å; E383-R386 IonicContact OE2-NH2 3.3Å; E383-R386 PolarHBondContact OE2-NH2 3.24Å; R386-N634 PolarHBondContact NH1-O 3.01Å; R386-P636 WeakPolarHBondContact O-CD 2.9Å; R386-P636 WeakPolarHBondContact O-CG 3.12Å
387F76.8Confident86.9Confident157 Ų15763.3 Ų63.369%0.68932%0.32SS*.THydrogen-bonded Turntrans-120.741-179.7-57.5-74.9000112.8H385H385-F387 PolarHBondContact O-N 2.6Å
388C76Confident87.1Confident40 Ų4064.8 Ų64.827%0.2733%0.325SS..  trans-79.2162.9173.469.80000112.8H385 R390 P636H385-C388 PolarHBondContact O-N 3.1Å; H385-C388 VanDerWaalsContact O-N 3.12Å; H385-C388 PolarHBondContact O-SG 2.89Å; H385-C388 VanDerWaalsContact O-SG 3.36Å; C388-R390 PolarHBondContact O-N 3.48Å; C388-P636 WeakPolarHBondContact O-CB 3.19Å; C388-P636 VanDerWaalsContact O-CG 3.3Å; C388-P636 WeakPolarHBondContact O-CG 3.47Å
389D74.2Confident87.4Confident165 Ų16563.2 Ų63.288%0.88232%0.315SS*.SBendtrans-75.62.8-179.1-59.9-38000113.8V391D389-V391 PolarHBondContact O-N 2.94Å
390R76.3Confident87.5Confident63 Ų6363.1 Ų63.124%0.23831%0.314CS..  trans-73.5123179.3-63.2-176.2-169.7176.82.2109.8L341 C388 E481 T637L341-R390 PolarHBondContact O-NH1 2.81Å; C388-R390 PolarHBondContact O-N 3.48Å; R390-E481 IonicContact CZ-OE1 3.57Å; R390-E481 IonicContact NE-OE1 3.14Å; R390-E481 IonicContact NH2-OE1 3.82Å; R390-E481 PolarHBondContact NH2-OE1 3.06Å; R390-E481 IonicContact NH2-OE2 2.77Å; R390-T637 WeakPolarHBondContact O-CG2 3.16Å
391V73Confident87.6Confident104 Ų10458.3 Ų58.363%0.6329%0.292SS*.  trans-88.5-33.8179.4-176.10000111.9D389 T637D389-V391 PolarHBondContact O-N 2.94Å; V391-T637 WeakPolarHBondContact O-CA 3.36Å; V391-T637 WeakPolarHBondContact O-CB 3.39Å; V391-T637 WeakPolarHBondContact O-CG2 3.18Å
392Q80.3Confident87.9Confident128 Ų12860.9 Ų60.960%0.59830%0.304SS*.  trans-148.1146.4177.5-66.1-173-1000110.9
393D88.7Confident88.3Confident8 Ų861.9 Ų61.94%0.04331%0.309CS..  trans-74.6155.6165.3-74.6-23.8000112.1G343 T344 M397 R398G343-D393 WeakPolarHBondContact CA-OD2 3.34Å; T344-D393 WeakPolarHBondContact CG2-OD2 3.43Å; T344-D393 PolarHBondContact N-OD2 3.29Å; D393-M397 HydrophobicContact CB-CB 4.4Å; D393-M397 HydrophobicContact CB-CE 3.97Å; D393-R398 HydrophobicContact CB-CB 4.21Å; D393-R398 PolarHBondContact O-NE 3.32Å; D393-R398 PolarHBondContact O-NH2 3.3Å
394A92.7Very high88.7Confident23 Ų2357.1 Ų57.119%0.1929%0.287CS..  trans-61.8153.717000000112.3T396 M397 R398A394-T396 PolarHBondContact O-N 3.2Å; A394-T396 VanDerWaalsContact O-N 3.17Å; A394-M397 HydrophobicContact CB-CE 3.97Å; A394-M397 PolarHBondContact O-N 3.39Å; A394-R398 PolarHBondContact O-N 2.87Å
395Y97.3Very high89.2Confident162 Ų16254 Ų5464%0.63526%0.264SS*.Hα-helixtrans-60.7-31.4-174.7-64.6-2.4000113.1M397 R398 C399Y395-M397 PolarHBondContact O-N 3.24Å; Y395-M397 VanDerWaalsContact O-N 3.08Å; Y395-R398 VanDerWaalsContact CE1-NH2 3.3Å; Y395-R398 PolarHBondContact O-N 3.14Å; Y395-C399 WeakPolarHBondContact O-CA 3.34Å; Y395-C399 WeakPolarHBondContact O-CB 3.25Å; Y395-C399 PolarHBondContact O-N 3.26Å
396T95.9Very high90Very high23 Ų2357.3 Ų57.314%0.14128%0.282CS..Hα-helixtrans-62.3-19.2179.556.70000113.5A394 C400 R469 R470 R473A394-T396 PolarHBondContact O-N 3.2Å; A394-T396 VanDerWaalsContact O-N 3.17Å; T396-C400 PolarHBondContact O-SG 3.47Å; T396-C400 VanDerWaalsContact O-SG 3.34Å; T396-R469 HydrophobicContact CG2-CB 3.4Å; T396-R469 HydrophobicContact CG2-CG 4.21Å; T396-R470 VanDerWaalsContact O-CD 3.31Å; T396-R470 WeakPolarHBondContact O-CD 3.21Å; T396-R470 WeakPolarHBondContact O-CG 3.5Å; T396-R470 PolarHBondContact O-NH1 3.13Å; T396-R473 WeakPolarHBondContact OG1-CD 3.41Å; T396-R473 PolarHBondContact OG1-NE 3.08Å
397M94.6Very high90.9Very high7 Ų755.2 Ų55.23%0.03427%0.274CS..Hα-helixtrans-104.8-51.2173.9-63.7177.7-72.900110.7L338 L341 D393 A394 Y395 C399 C400L338-M397 HydrophobicContact CD1-CB 4.17Å; L341-M397 HydrophobicContact CB-SD 3.77Å; L341-M397 HydrophobicContact CD1-CG 4.44Å; L341-M397 HydrophobicContact CD1-SD 3.62Å; L341-M397 HydrophobicContact CG-SD 4.37Å; D393-M397 HydrophobicContact CB-CB 4.4Å; D393-M397 HydrophobicContact CB-CE 3.97Å; A394-M397 HydrophobicContact CB-CE 3.97Å; A394-M397 PolarHBondContact O-N 3.39Å; Y395-M397 PolarHBondContact O-N 3.24Å; Y395-M397 VanDerWaalsContact O-N 3.08Å; M397-C399 PolarHBondContact O-N 3.42Å; M397-C400 PolarHBondContact O-N 2.93Å; M397-C400 PolarHBondContact O-SG 2.99Å
398R95.9Very high91.9Very high61 Ų6148.7 Ų48.723%0.2325%0.246CC..Hα-helixtrans-71.6-29.5-173.3177.6157.257.797.4-9.4114.3A347 D393 A394 Y395A347-R398 HydrophobicContact CB-CB 4.31Å; A347-R398 HydrophobicContact CB-CG 3.75Å; D393-R398 HydrophobicContact CB-CB 4.21Å; D393-R398 PolarHBondContact O-NE 3.32Å; D393-R398 PolarHBondContact O-NH2 3.3Å; A394-R398 PolarHBondContact O-N 2.87Å; Y395-R398 VanDerWaalsContact CE1-NH2 3.3Å; Y395-R398 PolarHBondContact O-N 3.14Å
399C98.1Very high93Very high32 Ų3248.8 Ų48.822%0.21625%0.245CC..THydrogen-bonded Turntrans-95.710.9-177.5-58.10000113.3Y395 M397 Q402 V403Y395-C399 WeakPolarHBondContact O-CA 3.34Å; Y395-C399 WeakPolarHBondContact O-CB 3.25Å; Y395-C399 PolarHBondContact O-N 3.26Å; M397-C399 PolarHBondContact O-N 3.42Å; C399-Q402 VanDerWaalsContact C-OE1 3.28Å; C399-Q402 PolarHBondContact O-N 3.49Å; C399-Q402 VanDerWaalsContact O-N 3.17Å; C399-Q402 PolarHBondContact O-OE1 3.19Å; C399-V403 WeakPolarHBondContact O-CG2 3.4Å; C399-V403 PolarHBondContact O-N 3.48Å
400C98.4Very high94.2Very high1 Ų142.1 Ų42.11%0.00721%0.21CC..Hα-helixtrans-52.4-45.7176.6-71.80000112.8F368 T396 M397 Q402 V403 H404 R470F368-C400 HydrophobicContact CE1-CB 4.4Å; F368-C400 HydrophobicContact CE2-CB 3.77Å; F368-C400 HydrophobicContact CZ-CB 3.52Å; T396-C400 PolarHBondContact O-SG 3.47Å; T396-C400 VanDerWaalsContact O-SG 3.34Å; M397-C400 PolarHBondContact O-N 2.93Å; M397-C400 PolarHBondContact O-SG 2.99Å; C400-Q402 VanDerWaalsContact C-N 3.3Å; C400-Q402 PolarHBondContact O-N 2.64Å; C400-V403 PolarHBondContact O-N 2.61Å; C400-H404 VanDerWaalsContact O-CB 3.25Å; C400-H404 WeakPolarHBondContact O-CB 3.45Å; C400-H404 PolarHBondContact O-N 3.07Å; C400-R470 PolarHBondContact SG-NH1 3.33Å
401P98.6Very high95.3Very high0 Ų039.2 Ų39.20%020%0.199CC..Hα-helixtrans-59-40.6178.6-26.637.9000113.1F348 Q361 V364 A365 G405F348-P401 HydrophobicContact CD1-CG 3.59Å; F348-P401 HydrophobicContact CE1-CG 3.8Å; Q361-P401 WeakPolarHBondContact CA-O 3.15Å; Q361-P401 HydrophobicContact CG-CB 3.89Å; V364-P401 HydrophobicContact CB-CB 4.5Å; V364-P401 HydrophobicContact CG1-CB 4.31Å; V364-P401 HydrophobicContact CG1-CG 4.43Å; A365-P401 HydrophobicContact CB-CB 4.15Å; A365-P401 HydrophobicContact CB-CG 4.16Å; P401-G405 WeakPolarHBondContact O-CA 3.1Å; P401-G405 PolarHBondContact O-N 3.2Å
402Q98.8Very high96.5Very high54 Ų5438.6 Ų38.625%0.25219%0.19SC..Hα-helixtrans-71.2-43.8-178-64773.400111.2Q361 C399 C400 I406Q361-Q402 HydrophobicContact CG-CG 4.41Å; C399-Q402 VanDerWaalsContact C-OE1 3.28Å; C399-Q402 PolarHBondContact O-N 3.49Å; C399-Q402 VanDerWaalsContact O-N 3.17Å; C399-Q402 PolarHBondContact O-OE1 3.19Å; C400-Q402 VanDerWaalsContact C-N 3.3Å; C400-Q402 PolarHBondContact O-N 2.64Å; Q402-I406 PolarHBondContact O-N 2.97Å
403V98.8Very high97.4Very high32 Ų3237.4 Ų37.419%0.19418%0.183CC..Hα-helixtrans-78.2-49.6-175.9176.90000111.6C399 C400 G405 I406 A407 E462 I466C399-V403 WeakPolarHBondContact O-CG2 3.4Å; C399-V403 PolarHBondContact O-N 3.48Å; C400-V403 PolarHBondContact O-N 2.61Å; V403-G405 VanDerWaalsContact C-N 3.26Å; V403-G405 PolarHBondContact O-N 3.47Å; V403-I406 WeakPolarHBondContact O-CG2 3.24Å; V403-A407 PolarHBondContact O-N 3.07Å; V403-E462 HydrophobicContact CG1-CB 4.03Å; V403-I466 HydrophobicContact CB-CD1 3.97Å; V403-I466 HydrophobicContact CG1-CB 4.33Å; V403-I466 HydrophobicContact CG1-CD1 4.08Å; V403-I466 HydrophobicContact CG1-CG2 4.18Å; V403-I466 HydrophobicContact CG2-CD1 4.02Å
404H98.8Very high97.9Very high1 Ų137 Ų371%0.00518%0.181CC..Hα-helixtrans-69.2-29.4176-64.2-162.4000111D331 V364 C400 A407 N408 L463 R470D331-H404 IonicContact OD1-CE1 3.83Å; D331-H404 IonicContact OD1-CG 3.18Å; D331-H404 IonicContact OD1-ND1 3.95Å; D331-H404 PolarHBondContact OD1-ND1 2.83Å; V364-H404 HydrophobicContact CG1-CB 4.09Å; V364-H404 HydrophobicContact CG2-CB 3.8Å; C400-H404 VanDerWaalsContact O-CB 3.25Å; C400-H404 WeakPolarHBondContact O-CB 3.45Å; C400-H404 PolarHBondContact O-N 3.07Å; H404-A407 WeakPolarHBondContact O-CB 3.48Å; H404-A407 PolarHBondContact O-N 3.15Å; H404-N408 PolarHBondContact O-N 3.32Å; H404-N408 PolarHBondContact O-ND2 3.25Å; H404-N408 VanDerWaalsContact O-ND2 3.08Å; H404-L463 HydrophobicContact CB-CD2 3.96Å; H404-R470 PolarHBondContact NE2-NH1 3.44Å
405G98.8Very high98.1Very high0 Ų036.4 Ų36.40%017%0.174CC..Hα-helixtrans-62.7-49.8179.900000113.1G360 P401 V403 A407 N408 D409G360-G405 WeakPolarHBondContact O-CA 3.31Å; P401-G405 WeakPolarHBondContact O-CA 3.1Å; P401-G405 PolarHBondContact O-N 3.2Å; V403-G405 VanDerWaalsContact C-N 3.26Å; V403-G405 PolarHBondContact O-N 3.47Å; G405-A407 VanDerWaalsContact C-N 3.26Å; G405-A407 PolarHBondContact O-N 3.26Å; G405-N408 WeakPolarHBondContact O-CB 3.26Å; G405-N408 PolarHBondContact O-N 3.45Å; G405-D409 PolarHBondContact O-N 2.94Å
406I98.6Very high98.2Very high99 Ų9933.2 Ų33.251%0.50817%0.168SC..Hα-helixtrans-66.2-29.8176.8-172.957.9000112.3Q402 V403 D409 T410Q402-I406 PolarHBondContact O-N 2.97Å; V403-I406 WeakPolarHBondContact O-CG2 3.24Å; I406-D409 HydrophobicContact CD1-CB 4.49Å; I406-T410 WeakPolarHBondContact O-CB 3.21Å; I406-T410 PolarHBondContact O-N 2.97Å; I406-T410 PolarHBondContact O-OG1 3.42Å
407A98.8Very high98.3Very high0 Ų033.8 Ų33.80%017%0.17CC..Hα-helixtrans-62.9-48.2171.300000111.2V403 H404 G405 T410 I411 L463V403-A407 PolarHBondContact O-N 3.07Å; H404-A407 WeakPolarHBondContact O-CB 3.48Å; H404-A407 PolarHBondContact O-N 3.15Å; G405-A407 VanDerWaalsContact C-N 3.26Å; G405-A407 PolarHBondContact O-N 3.26Å; A407-T410 PolarHBondContact O-N 3.18Å; A407-I411 WeakPolarHBondContact O-CD1 3.43Å; A407-I411 WeakPolarHBondContact O-CG1 3.26Å; A407-I411 PolarHBondContact O-N 3.12Å; A407-L463 HydrophobicContact CB-CD1 4.43Å; A407-L463 HydrophobicContact CB-CD2 3.97Å; A407-L463 HydrophobicContact CB-CG 4.1Å
408N98.6Very high98.5Very high19 Ų1933.5 Ų33.510%0.10217%0.169CC..Hα-helixtrans-60.6-45.5175.9-75.9-50.5000112.6A327 V364 H404 G405 T410 I411 M412A327-N408 WeakPolarHBondContact CB-OD1 3.34Å; V364-N408 WeakPolarHBondContact CG2-ND2 3.49Å; H404-N408 PolarHBondContact O-N 3.32Å; H404-N408 PolarHBondContact O-ND2 3.25Å; H404-N408 VanDerWaalsContact O-ND2 3.08Å; G405-N408 WeakPolarHBondContact O-CB 3.26Å; G405-N408 PolarHBondContact O-N 3.45Å; N408-T410 VanDerWaalsContact C-N 3.31Å; N408-T410 PolarHBondContact O-N 3.36Å; N408-I411 PolarHBondContact O-N 3.17Å; N408-M412 WeakPolarHBondContact O-CG 3.42Å; N408-M412 PolarHBondContact O-N 2.85Å
409D98.8Very high98.7Very high43 Ų4332.5 Ų32.523%0.2317%0.168CC..Hα-helixtrans-61.1-41.3177.5-72.5-27.8000111.4G360 G405 I406 M412 F413G360-D409 WeakPolarHBondContact CA-OD1 3.36Å; G360-D409 PolarHBondContact N-OD1 3.46Å; G360-D409 PolarHBondContact N-OD2 3.35Å; G405-D409 PolarHBondContact O-N 2.94Å; I406-D409 HydrophobicContact CD1-CB 4.49Å; D409-M412 PolarHBondContact O-N 2.81Å; D409-F413 PolarHBondContact O-N 3.39Å
410T98.9Very high98.7Very high24 Ų2435.4 Ų35.415%0.14719%0.185CC..Hα-helixtrans-69.8-40.4178.4-53.90000112.1I406 A407 N408 M412 F413 V414 F455 A459I406-T410 WeakPolarHBondContact O-CB 3.21Å; I406-T410 PolarHBondContact O-N 2.97Å; I406-T410 PolarHBondContact O-OG1 3.42Å; A407-T410 PolarHBondContact O-N 3.18Å; N408-T410 VanDerWaalsContact C-N 3.31Å; N408-T410 PolarHBondContact O-N 3.36Å; T410-M412 VanDerWaalsContact C-N 3.29Å; T410-M412 PolarHBondContact O-N 2.85Å; T410-F413 WeakPolarHBondContact O-CB 3.47Å; T410-F413 PolarHBondContact O-N 2.95Å; T410-V414 HydrophobicContact CG2-CG2 4.3Å; T410-V414 VanDerWaalsContact O-CG2 3.3Å; T410-V414 WeakPolarHBondContact O-CG2 3.32Å; T410-V414 PolarHBondContact O-N 3.4Å; T410-F455 HydrophobicContact CG2-CB 4.14Å; T410-A459 VanDerWaalsContact CB-CB 3.49Å; T410-A459 HydrophobicContact CG2-CB 3.54Å
411I98.9Very high98.7Very high2 Ų236.2 Ų36.21%0.0119%0.189CC..Hα-helixtrans-57.3-45.7174.5-71.1161.1000110.1V320 A323 R324 A327 A407 N408 V414 Q415 L456 V460V320-I411 HydrophobicContact CG2-CG2 3.97Å; A323-I411 HydrophobicContact CB-CD1 4.04Å; A323-I411 HydrophobicContact CB-CG1 4.02Å; R324-I411 HydrophobicContact CB-CG2 3.89Å; A327-I411 HydrophobicContact CB-CD1 3.71Å; A407-I411 WeakPolarHBondContact O-CD1 3.43Å; A407-I411 WeakPolarHBondContact O-CG1 3.26Å; A407-I411 PolarHBondContact O-N 3.12Å; N408-I411 PolarHBondContact O-N 3.17Å; I411-V414 PolarHBondContact O-N 3.17Å; I411-Q415 WeakPolarHBondContact O-CB 3.5Å; I411-Q415 PolarHBondContact O-N 2.78Å; I411-L456 HydrophobicContact CB-CD1 4.49Å; I411-L456 HydrophobicContact CG1-CD1 3.82Å; I411-V460 HydrophobicContact CD1-CG2 4.06Å; I411-V460 HydrophobicContact CG1-CG2 3.92Å
412M98.6Very high98.7Very high91 Ų9136.3 Ų36.345%0.44819%0.189SC..Hα-helixtrans-63.7-42.9177.4-72.9-57.4-54.800112.3N408 D409 T410 V414 Q415 N416N408-M412 WeakPolarHBondContact O-CG 3.42Å; N408-M412 PolarHBondContact O-N 2.85Å; D409-M412 PolarHBondContact O-N 2.81Å; T410-M412 VanDerWaalsContact C-N 3.29Å; T410-M412 PolarHBondContact O-N 2.85Å; M412-V414 PolarHBondContact O-N 2.91Å; M412-Q415 PolarHBondContact O-N 3.28Å; M412-N416 PolarHBondContact O-N 2.84Å; M412-N416 VanDerWaalsContact O-N 3.14Å; M412-N416 PolarHBondContact O-ND2 2.99Å
413F98.8Very high98.7Very high103 Ų10334.9 Ų34.945%0.45218%0.183SC..Hα-helixtrans-57.2-48174.3168.6-96.6000111.9D409 T410 N416 I417 F455D409-F413 PolarHBondContact O-N 3.39Å; T410-F413 WeakPolarHBondContact O-CB 3.47Å; T410-F413 PolarHBondContact O-N 2.95Å; F413-N416 PolarHBondContact O-N 2.53Å; F413-I417 HydrophobicContact CD1-CD1 4.39Å; F413-I417 HydrophobicContact CE1-CD1 3.62Å; F413-I417 HydrophobicContact CE2-CD1 4.16Å; F413-I417 HydrophobicContact CZ-CD1 3.5Å; F413-I417 VanDerWaalsContact CZ-CD1 3.5Å; F413-I417 PolarHBondContact O-N 3.49Å; F413-F455 AromaticContact CE1-CD2 3.83Å; F413-F455 HydrophobicContact CE1-CD2 3.83Å; F413-F455 HydrophobicContact CE1-CE2 4.27Å
414V98.8Very high98.6Very high0 Ų034.9 Ų34.90%019%0.185CC..Hα-helixtrans-65.8-41.7178.8171.70000111.2V320 T410 I411 M412 N416 I417 I418 A452 L456V320-V414 HydrophobicContact CB-CG1 4.48Å; V320-V414 HydrophobicContact CG2-CB 4.44Å; V320-V414 HydrophobicContact CG2-CG1 4.18Å; T410-V414 HydrophobicContact CG2-CG2 4.3Å; T410-V414 VanDerWaalsContact O-CG2 3.3Å; T410-V414 WeakPolarHBondContact O-CG2 3.32Å; T410-V414 PolarHBondContact O-N 3.4Å; I411-V414 PolarHBondContact O-N 3.17Å; M412-V414 PolarHBondContact O-N 2.91Å; V414-N416 PolarHBondContact O-N 2.91Å; V414-I417 PolarHBondContact O-N 3.01Å; V414-I417 VanDerWaalsContact O-N 3.12Å; V414-I418 HydrophobicContact CG1-CG1 4.05Å; V414-I418 WeakPolarHBondContact O-CG1 3.34Å; V414-I418 PolarHBondContact O-N 2.71Å; V414-A452 HydrophobicContact CG1-CB 4.11Å; V414-A452 HydrophobicContact CG2-CB 4.24Å; V414-A452 WeakPolarHBondContact CG2-O 3.17Å; V414-L456 HydrophobicContact CB-CD1 4.4Å; V414-L456 HydrophobicContact CG1-CB 4.22Å; V414-L456 HydrophobicContact CG1-CD1 4.38Å; V414-L456 HydrophobicContact CG1-CD2 4.34Å; V414-L456 HydrophobicContact CG2-CB 4.11Å
415Q98.6Very high98.5Very high11 Ų1135.5 Ų35.55%0.05119%0.19CC..Hα-helixtrans-57.2-39.6178178.8155.352.600111.6S123 V320 E321 R324 I411 M412 I418 N419S123-Q415 PolarHBondContact OG-NE2 3.34Å; S123-Q415 VanDerWaalsContact OG-NE2 3.07Å; V320-Q415 HydrophobicContact CG2-CB 3.74Å; E321-Q415 PolarHBondContact OE1-NE2 3.2Å; R324-Q415 VanDerWaalsContact NH1-NE2 3.11Å; R324-Q415 VanDerWaalsContact NH1-OE1 3.14Å; I411-Q415 WeakPolarHBondContact O-CB 3.5Å; I411-Q415 PolarHBondContact O-N 2.78Å; M412-Q415 PolarHBondContact O-N 3.28Å; Q415-I418 PolarHBondContact O-N 3.16Å; Q415-N419 VanDerWaalsContact O-CB 3.3Å; Q415-N419 WeakPolarHBondContact O-CB 3.13Å; Q415-N419 VanDerWaalsContact O-CG 3.26Å; Q415-N419 PolarHBondContact O-N 3.4Å; Q415-N419 PolarHBondContact O-ND2 3.4Å
416N98.6Very high98.4Very high95 Ų9535.6 Ų35.651%0.50819%0.191SC..Hα-helixtrans-65.2-41.3177.5-68-25.7000112.4M412 F413 V414 T420M412-N416 PolarHBondContact O-N 2.84Å; M412-N416 VanDerWaalsContact O-N 3.14Å; M412-N416 PolarHBondContact O-ND2 2.99Å; F413-N416 PolarHBondContact O-N 2.53Å; V414-N416 PolarHBondContact O-N 2.91Å; N416-T420 PolarHBondContact O-N 3.08Å; N416-T420 VanDerWaalsContact O-N 3.07Å; N416-T420 PolarHBondContact O-OG1 3.31Å
417I98.8Very high98.1Very high35 Ų3531 Ų3118%0.17917%0.167CC..Hα-helixtrans-65.1-48176.1-66.5176.1000110.1F413 V414 N419 T420 E421 A452F413-I417 HydrophobicContact CD1-CD1 4.39Å; F413-I417 HydrophobicContact CE1-CD1 3.62Å; F413-I417 HydrophobicContact CE2-CD1 4.16Å; F413-I417 HydrophobicContact CZ-CD1 3.5Å; F413-I417 VanDerWaalsContact CZ-CD1 3.5Å; F413-I417 PolarHBondContact O-N 3.49Å; V414-I417 PolarHBondContact O-N 3.01Å; V414-I417 VanDerWaalsContact O-N 3.12Å; I417-N419 PolarHBondContact O-N 2.98Å; I417-T420 WeakPolarHBondContact O-CB 3.45Å; I417-T420 PolarHBondContact O-N 3.3Å; I417-T420 VanDerWaalsContact O-N 3.15Å; I417-E421 PolarHBondContact O-N 3.48Å; I417-A452 HydrophobicContact CB-CB 4.16Å; I417-A452 HydrophobicContact CD1-CB 3.96Å; I417-A452 HydrophobicContact CG2-CB 3.94Å
418I98.7Very high97.8Very high0 Ų031.1 Ų31.10%017%0.168CC..Hα-helixtrans-63-43.9-179.6-65.7-61.9000111.2T313 A317 V414 Q415 T420 E421 I422 P449T313-I418 HydrophobicContact CG2-CG2 4.42Å; A317-I418 HydrophobicContact CB-CG2 4.01Å; V414-I418 HydrophobicContact CG1-CG1 4.05Å; V414-I418 WeakPolarHBondContact O-CG1 3.34Å; V414-I418 PolarHBondContact O-N 2.71Å; Q415-I418 PolarHBondContact O-N 3.16Å; I418-T420 VanDerWaalsContact C-N 3.26Å; I418-T420 PolarHBondContact O-N 2.95Å; I418-E421 PolarHBondContact O-N 2.89Å; I418-E421 VanDerWaalsContact O-N 3.15Å; I418-I422 HydrophobicContact CG2-CD1 3.91Å; I418-I422 HydrophobicContact CG2-CG1 4.24Å; I418-I422 WeakPolarHBondContact O-CB 3.2Å; I418-I422 VanDerWaalsContact O-CG1 3.23Å; I418-I422 WeakPolarHBondContact O-CG1 3.43Å; I418-I422 PolarHBondContact O-N 3.23Å; I418-P449 HydrophobicContact CD1-CB 4Å
419N98.4Very high97.5Very high40 Ų4030.3 Ų30.321%0.21416%0.163CC..Hα-helixtrans-62.8-32.7175.8-75.4-20.8000112.7S123 Q415 I417 N423S123-N419 WeakPolarHBondContact CB-OD1 2.98Å; S123-N419 PolarHBondContact N-OD1 2.79Å; S123-N419 PolarHBondContact OG-OD1 2.87Å; Q415-N419 VanDerWaalsContact O-CB 3.3Å; Q415-N419 WeakPolarHBondContact O-CB 3.13Å; Q415-N419 VanDerWaalsContact O-CG 3.26Å; Q415-N419 PolarHBondContact O-N 3.4Å; Q415-N419 PolarHBondContact O-ND2 3.4Å; I417-N419 PolarHBondContact O-N 2.98Å; N419-N423 PolarHBondContact O-ND2 3.44Å
420T98.8Very high97.4Very high94 Ų9429 Ų2958%0.57716%0.156SC*.Hα-helixtrans-66.9-46.8172.3-56.30000110.8N416 I417 I418 I422 N423 S424N416-T420 PolarHBondContact O-N 3.08Å; N416-T420 VanDerWaalsContact O-N 3.07Å; N416-T420 PolarHBondContact O-OG1 3.31Å; I417-T420 WeakPolarHBondContact O-CB 3.45Å; I417-T420 PolarHBondContact O-N 3.3Å; I417-T420 VanDerWaalsContact O-N 3.15Å; I418-T420 VanDerWaalsContact C-N 3.26Å; I418-T420 PolarHBondContact O-N 2.95Å; T420-I422 PolarHBondContact O-N 3.06Å; T420-N423 CarbonylContact O-C 3.6Å; T420-N423 PolarHBondContact O-N 2.77Å; T420-S424 PolarHBondContact O-N 3.21Å; T420-S424 PolarHBondContact O-OG 3.43Å
421E98.4Very high97.3Very high18 Ų1827.9 Ų27.98%0.08415%0.149CC..Hα-helixtrans-64.1-40.9-179.1-166.669-169.500112.3T309 T313 I417 I418 N423 S424 P449T309-E421 WeakPolarHBondContact CB-OE1 3.15Å; T309-E421 WeakPolarHBondContact CG2-OE1 3Å; T309-E421 PolarHBondContact OG1-OE1 3.14Å; T313-E421 HydrophobicContact CG2-CB 4.09Å; T313-E421 HydrophobicContact CG2-CG 4Å; T313-E421 WeakPolarHBondContact OG1-CG 3.37Å; I417-E421 PolarHBondContact O-N 3.48Å; I418-E421 PolarHBondContact O-N 2.89Å; I418-E421 VanDerWaalsContact O-N 3.15Å; E421-N423 PolarHBondContact O-N 3.29Å; E421-N423 VanDerWaalsContact O-N 3.08Å; E421-S424 WeakPolarHBondContact O-CB 3.33Å; E421-S424 PolarHBondContact O-N 2.91Å; E421-P449 HydrophobicContact CG-CB 4.32Å; E421-P449 HydrophobicContact CG-CG 4.04Å
422I98.5Very high97.2Very high1 Ų130.5 Ų30.51%0.00516%0.16CC..Hα-helixtrans-52.3-32.5175.2-75.9173.1000112.2L121 L126 L213 N216 T313 A317 I418 T420L121-I422 HydrophobicContact CB-CG2 3.84Å; L121-I422 HydrophobicContact CD2-CG2 3.95Å; L121-I422 HydrophobicContact CG-CG2 4.03Å; L121-I422 WeakPolarHBondContact O-CG2 3.04Å; L126-I422 HydrophobicContact CD2-CD1 4.28Å; L213-I422 HydrophobicContact CD2-CB 4.16Å; L213-I422 HydrophobicContact CD2-CG1 4Å; L213-I422 HydrophobicContact CD2-CG2 3.74Å; N216-I422 PolarHBondContact ND2-O 3.15Å; T313-I422 HydrophobicContact CG2-CB 4.41Å; T313-I422 HydrophobicContact CG2-CG1 3.5Å; A317-I422 HydrophobicContact CB-CD1 4.13Å; I418-I422 HydrophobicContact CG2-CD1 3.91Å; I418-I422 HydrophobicContact CG2-CG1 4.24Å; I418-I422 WeakPolarHBondContact O-CB 3.2Å; I418-I422 VanDerWaalsContact O-CG1 3.23Å; I418-I422 WeakPolarHBondContact O-CG1 3.43Å; I418-I422 PolarHBondContact O-N 3.23Å; T420-I422 PolarHBondContact O-N 3.06Å
423N98.4Very high97Very high24 Ų2427.7 Ų27.713%0.12815%0.152CC..THydrogen-bonded Turntrans-108.413.9-176-64.8-61.3000112.7N119 S120 L121 N216 K220 N419 T420 E421N119-N423 VanDerWaalsContact C-CG 3.4Å; N119-N423 PolarHBondContact O-OD1 2.91Å; S120-N423 PolarHBondContact N-OD1 3.48Å; L121-N423 PolarHBondContact N-OD1 2.88Å; L121-N423 PolarHBondContact O-ND2 3.06Å; N216-N423 PolarHBondContact ND2-OD1 3.29Å; K220-N423 PolarHBondContact NZ-O 2.97Å; N419-N423 PolarHBondContact O-ND2 3.44Å; T420-N423 CarbonylContact O-C 3.6Å; T420-N423 PolarHBondContact O-N 2.77Å; E421-N423 PolarHBondContact O-N 3.29Å; E421-N423 VanDerWaalsContact O-N 3.08Å
424S97.8Very high96.8Very high33 Ų3331.9 Ų31.923%0.23117%0.173CC..SBendtrans-93.5151.2-178-71.90000112.5V217 T420 E421 T426V217-S424 WeakPolarHBondContact CG2-O 3.43Å; T420-S424 PolarHBondContact O-N 3.21Å; T420-S424 PolarHBondContact O-OG 3.43Å; E421-S424 WeakPolarHBondContact O-CB 3.33Å; E421-S424 PolarHBondContact O-N 2.91Å; S424-T426 PolarHBondContact O-N 3.09Å
425A96.3Very high96.6Very high14 Ų1439 Ų3912%0.11620%0.2CC..  trans-88.293.2174.500000109.5K220 M430 N443K220-A425 HydrophobicContact CD-CB 3.82Å; A425-M430 HydrophobicContact CB-CE 3.42Å; A425-M430 VanDerWaalsContact CB-CE 3.42Å; A425-M430 HydrophobicContact CB-SD 4.18Å; A425-N443 VanDerWaalsContact O-CB 3.23Å; A425-N443 WeakPolarHBondContact O-CB 3.45Å; A425-N443 PolarHBondContact O-ND2 3.07Å
426T95.6Very high96.4Very high2 Ų240.2 Ų40.21%0.01222%0.215CC..  trans-100.315.8-171570000114G308 Q310 S424 N443 F444G308-T426 WeakPolarHBondContact CA-O 3.43Å; Q310-T426 PolarHBondContact NE2-OG1 3.31Å; Q310-T426 VanDerWaalsContact NE2-OG1 3.14Å; S424-T426 PolarHBondContact O-N 3.09Å; T426-N443 WeakPolarHBondContact CA-O 3.38Å; T426-N443 WeakPolarHBondContact CB-O 3.43Å; T426-N443 WeakPolarHBondContact CG2-O 3.33Å; T426-F444 VanDerWaalsContact O-CA 3.29Å; T426-F444 WeakPolarHBondContact O-CA 3.42Å; T426-F444 WeakPolarHBondContact O-CB 3.41Å
427D92.6Very high96.2Very high1 Ų139 Ų391%0.00521%0.206CC..  trans-88.5167177.4-173.415.7000112.1S223 K300 N307S223-D427 VanDerWaalsContact CA-OD2 3.23Å; S223-D427 WeakPolarHBondContact CA-OD2 3.36Å; S223-D427 WeakPolarHBondContact CB-OD2 3.47Å; S223-D427 WeakPolarHBondContact OG-CB 3.34Å; S223-D427 PolarHBondContact OG-OD2 3.04Å; K300-D427 IonicContact NZ-OD1 2.94Å; K300-D427 IonicContact NZ-OD2 2.82Å; K300-D427 PolarHBondContact NZ-OD2 3.35Å; N307-D427 WeakPolarHBondContact O-CA 3.41Å
428N92.8Very high95.9Very high4 Ų438.9 Ų38.92%0.02121%0.208CC..SBendtrans-152.5140.4171.4-173.170.2000112.3S440 G441 F444N428-S440 PolarHBondContact ND2-OG 2.98Å; N428-S440 VanDerWaalsContact OD1-CA 3.3Å; N428-S440 WeakPolarHBondContact OD1-CA 3.23Å; N428-S440 PolarHBondContact OD1-OG 3.47Å; N428-G441 PolarHBondContact OD1-N 2.92Å; N428-G441 PolarHBondContact OD1-O 2.81Å; N428-F444 HydrophobicContact CB-CD1 3.32Å; N428-F444 HydrophobicContact CB-CE1 3.48Å; N428-F444 VanDerWaalsContact CB-CE1 3.48Å
429P92.9Very high95.7Very high2 Ų241.9 Ų41.91%0.01322%0.223CC..SBendcis-70.4153.2-5.931-34.8000112.1Y164 I166 K300Y164-P429 HydrophobicContact CD1-CG 4.34Å; Y164-P429 WeakPolarHBondContact O-CG 3.14Å; I166-P429 HydrophobicContact CD1-CG 4.48Å; K300-P429 WeakPolarHBondContact CE-O 3.41Å; K300-P429 PolarHBondContact NZ-O 3.48Å; K300-P429 VanDerWaalsContact NZ-O 3.17Å
430M95.8Very high95.4Very high15 Ų1543.8 Ų43.87%0.07424%0.239CC..EExtended strand (participates in β ladder)trans-77.4135.1176.4-69.8-61-7000110.4H222 A425 F432 T438 I439H222-M430 HydrophobicContact CB-CE 3.46Å; H222-M430 VanDerWaalsContact CB-CE 3.46Å; H222-M430 HydrophobicContact CB-SD 4.41Å; A425-M430 HydrophobicContact CB-CE 3.42Å; A425-M430 VanDerWaalsContact CB-CE 3.42Å; A425-M430 HydrophobicContact CB-SD 4.18Å; M430-F432 HydrophobicContact CB-CD2 4.38Å; M430-F432 HydrophobicContact CB-CE2 3.6Å; M430-F432 HydrophobicContact CB-CZ 4.01Å; M430-T438 CarbonylContact O-C 3.53Å; M430-T438 WeakPolarHBondContact O-CA 3.49Å; M430-I439 PolarHBondContact N-O 3.43Å; M430-I439 PolarHBondContact O-N 3.38Å
431V96.5Very high95.1Very high0 Ų041.2 Ų41.20%023%0.231CC..EExtended strand (participates in β ladder)trans-102.7121.8179.1-173.80000109.6S149 L152 L153 H222 K300 T438S149-V431 WeakPolarHBondContact OG-CB 3.29Å; S149-V431 WeakPolarHBondContact OG-CG1 3.24Å; L152-V431 HydrophobicContact CD2-CG1 3.81Å; L152-V431 HydrophobicContact CG-CG1 4.48Å; L153-V431 HydrophobicContact CD1-CG2 4.4Å; L153-V431 HydrophobicContact CD2-CG2 4.11Å; L153-V431 HydrophobicContact CG-CG2 4.37Å; H222-V431 PolarHBondContact ND1-O 3.24Å; H222-V431 WeakPolarHBondContact O-CB 3.36Å; H222-V431 PolarHBondContact O-N 3.44Å; K300-V431 HydrophobicContact CD-CG2 4.42Å; V431-T438 HydrophobicContact CG2-CG2 4.28Å
432F96.9Very high94.9Very high57 Ų5742.2 Ų42.225%0.2525%0.247CC..EExtended strand (participates in β ladder)trans-114.380.9176.6-63.8-80.7000109.2M430 E434 R435 G436 E437 I439M430-F432 HydrophobicContact CB-CD2 4.38Å; M430-F432 HydrophobicContact CB-CE2 3.6Å; M430-F432 HydrophobicContact CB-CZ 4.01Å; F432-E434 VanDerWaalsContact C-N 3.29Å; F432-E434 PolarHBondContact O-N 3.07Å; F432-R435 HydrophobicContact CB-CB 4.04Å; F432-R435 HydrophobicContact CB-CG 4.38Å; F432-R435 CarbonylContact O-C 3.49Å; F432-R435 WeakPolarHBondContact O-CA 3.47Å; F432-R435 PolarHBondContact O-N 2.84Å; F432-G436 PolarHBondContact O-N 3.4Å; F432-E437 HydrophobicContact CB-CG 4.34Å; F432-E437 PolarHBondContact N-O 3.44Å; F432-E437 PolarHBondContact O-N 2.84Å; F432-I439 HydrophobicContact CD2-CB 4.39Å; F432-I439 HydrophobicContact CD2-CD1 3.67Å; F432-I439 HydrophobicContact CD2-CG1 3.8Å; F432-I439 HydrophobicContact CE2-CB 4Å; F432-I439 HydrophobicContact CE2-CD1 3.47Å; F432-I439 VanDerWaalsContact CE2-CD1 3.47Å; F432-I439 HydrophobicContact CE2-CG1 3.79Å; F432-I439 HydrophobicContact CZ-CD1 4.39Å
433A94.8Very high94.8Very high33 Ų3346.4 Ų46.427%0.27327%0.269SS..G310 helixtrans-52.6-44.9-175.500000112.9Q148 R435 G436Q148-A433 HydrophobicContact CB-CB 4.05Å; A433-R435 PolarHBondContact O-N 3.25Å; A433-G436 PolarHBondContact O-N 2.96Å
434E94.6Very high94.7Very high190 Ų19047 Ų4789%0.88827%0.27SS*.G310 helixtrans-61.7-26178.8-62-179.4174.100113.5F432F432-E434 VanDerWaalsContact C-N 3.29Å; F432-E434 PolarHBondContact O-N 3.07Å
435R95.4Very high94.7Very high151 Ų15147.7 Ų47.757%0.5727%0.27SS*.G310 helixtrans-97.4-6.4178.4-64.2172.263-163.7-1.9112.6F432 A433 E437F432-R435 HydrophobicContact CB-CB 4.04Å; F432-R435 HydrophobicContact CB-CG 4.38Å; F432-R435 CarbonylContact O-C 3.49Å; F432-R435 WeakPolarHBondContact O-CA 3.47Å; F432-R435 PolarHBondContact O-N 2.84Å; A433-R435 PolarHBondContact O-N 3.25Å; R435-E437 HydrophobicContact CB-CG 3.79Å; R435-E437 IonicContact CZ-OE1 3.4Å; R435-E437 IonicContact NE-OE1 3.31Å; R435-E437 PolarHBondContact NE-OE1 3.08Å; R435-E437 IonicContact NH1-OE1 3.48Å; R435-E437 PolarHBondContact NH1-OE1 2.81Å; R435-E437 IonicContact NH2-OE1 3.17Å; R435-E437 PolarHBondContact NH2-OE1 2.83Å; R435-E437 IonicContact NH2-OE2 3.86Å; R435-E437 PolarHBondContact O-N 3.17Å
436G93.8Very high94.7Very high36 Ų3647 Ų4737%0.37127%0.265SS..THydrogen-bonded Turntrans63.627-177.400000113.9F432 A433F432-G436 PolarHBondContact O-N 3.4Å; A433-G436 PolarHBondContact O-N 2.96Å
437E94.3Very high94.8Very high68 Ų6848.8 Ų48.832%0.31827%0.273SS..EExtended strand (participates in β ladder)trans-138.6161.6-174.367.9172.8-145.400114.3F432 R435 I439F432-E437 HydrophobicContact CB-CG 4.34Å; F432-E437 PolarHBondContact N-O 3.44Å; F432-E437 PolarHBondContact O-N 2.84Å; R435-E437 HydrophobicContact CB-CG 3.79Å; R435-E437 IonicContact CZ-OE1 3.4Å; R435-E437 IonicContact NE-OE1 3.31Å; R435-E437 PolarHBondContact NE-OE1 3.08Å; R435-E437 IonicContact NH1-OE1 3.48Å; R435-E437 PolarHBondContact NH1-OE1 2.81Å; R435-E437 IonicContact NH2-OE1 3.17Å; R435-E437 PolarHBondContact NH2-OE1 2.83Å; R435-E437 IonicContact NH2-OE2 3.86Å; R435-E437 PolarHBondContact O-N 3.17Å; E437-I439 HydrophobicContact CG-CG1 4.44Å; E437-I439 WeakPolarHBondContact OE1-CD1 3.38Å; E437-I439 WeakPolarHBondContact OE1-CG1 3.37Å
438T93.4Very high95.1Very high34 Ų3456.9 Ų56.921%0.20931%0.305CS..EExtended strand (participates in β ladder)trans-119.5134.6170.959.60000109.8L153 I156 V163 I166 M430 V431L153-T438 HydrophobicContact CD2-CG2 3.92Å; I156-T438 HydrophobicContact CD1-CG2 3.88Å; V163-T438 HydrophobicContact CG1-CG2 4.49Å; V163-T438 WeakPolarHBondContact CG1-OG1 3.29Å; I166-T438 HydrophobicContact CD1-CG2 4.22Å; M430-T438 CarbonylContact O-C 3.53Å; M430-T438 WeakPolarHBondContact O-CA 3.49Å; V431-T438 HydrophobicContact CG2-CG2 4.28Å
439I93.4Very high95.3Very high63 Ų6356.7 Ų56.732%0.32330%0.303SS..EExtended strand (participates in β ladder)trans-119.9129.9-179.5-50.8177.2000109.1M430 F432 E437M430-I439 PolarHBondContact N-O 3.43Å; M430-I439 PolarHBondContact O-N 3.38Å; F432-I439 HydrophobicContact CD2-CB 4.39Å; F432-I439 HydrophobicContact CD2-CD1 3.67Å; F432-I439 HydrophobicContact CD2-CG1 3.8Å; F432-I439 HydrophobicContact CE2-CB 4Å; F432-I439 HydrophobicContact CE2-CD1 3.47Å; F432-I439 VanDerWaalsContact CE2-CD1 3.47Å; F432-I439 HydrophobicContact CE2-CG1 3.79Å; F432-I439 HydrophobicContact CZ-CD1 4.39Å; E437-I439 HydrophobicContact CG-CG1 4.44Å; E437-I439 WeakPolarHBondContact OE1-CD1 3.38Å; E437-I439 WeakPolarHBondContact OE1-CG1 3.37Å
440S92.3Very high95.6Very high79 Ų7956.6 Ų56.655%0.55230%0.303SS*.  trans-82.8127.8168.1-166.10000109.6N428N428-S440 PolarHBondContact ND2-OG 2.98Å; N428-S440 VanDerWaalsContact OD1-CA 3.3Å; N428-S440 WeakPolarHBondContact OD1-CA 3.23Å; N428-S440 PolarHBondContact OD1-OG 3.47Å
441G93.4Very high95.7Very high40 Ų4059.3 Ų59.341%0.41231%0.314SS..  trans-138.2-156.9175.700000111.3N428N428-G441 PolarHBondContact OD1-N 2.92Å; N428-G441 PolarHBondContact OD1-O 2.81Å
442G94.6Very high95.8Very high40 Ų4059.4 Ų59.441%0.41232%0.315SS..  trans-129.323.3-175.600000114.6F444 H445G442-F444 PolarHBondContact O-N 2.62Å; G442-H445 WeakPolarHBondContact O-CB 3.49Å; G442-H445 PolarHBondContact O-N 3.17Å; G442-H445 VanDerWaalsContact O-N 3.07Å
443N96.1Very high95.9Very high88 Ų8856.7 Ų56.747%0.47130%0.303SS..THydrogen-bonded Turntrans-63.1-12.3-177.5-725.5000114A425 T426 H445A425-N443 VanDerWaalsContact O-CB 3.23Å; A425-N443 WeakPolarHBondContact O-CB 3.45Å; A425-N443 PolarHBondContact O-ND2 3.07Å; T426-N443 WeakPolarHBondContact CA-O 3.38Å; T426-N443 WeakPolarHBondContact CB-O 3.43Å; T426-N443 WeakPolarHBondContact CG2-O 3.33Å; N443-H445 PolarHBondContact O-N 3.48Å
444F95.3Very high96.1Very high36 Ų3655.1 Ų55.116%0.15829%0.29CS..THydrogen-bonded Turntrans-75.9-7.517550.8-131.6000114.3A253 G255 N307 T309 T426 N428 G442 G446A253-F444 WeakPolarHBondContact O-CD2 3.42Å; A253-F444 WeakPolarHBondContact O-CE2 3.36Å; G255-F444 PolarHBondContact N-O 3.23Å; N307-F444 WeakPolarHBondContact OD1-CB 3.39Å; N307-F444 VanDerWaalsContact OD1-CD1 3.27Å; N307-F444 WeakPolarHBondContact OD1-CD1 3.16Å; N307-F444 WeakPolarHBondContact OD1-CG 3.39Å; T309-F444 WeakPolarHBondContact CG2-O 3.31Å; T426-F444 VanDerWaalsContact O-CA 3.29Å; T426-F444 WeakPolarHBondContact O-CA 3.42Å; T426-F444 WeakPolarHBondContact O-CB 3.41Å; N428-F444 HydrophobicContact CB-CD1 3.32Å; N428-F444 HydrophobicContact CB-CE1 3.48Å; N428-F444 VanDerWaalsContact CB-CE1 3.48Å; G442-F444 PolarHBondContact O-N 2.62Å; F444-G446 PolarHBondContact O-N 3.45Å
445H97.6Very high96.3Very high48 Ų4850.5 Ų50.522%0.22227%0.267CS..  trans-82.8116.6-171.8-167.4-58.9000109.5G442 N443 E447 H531G442-H445 WeakPolarHBondContact O-CB 3.49Å; G442-H445 PolarHBondContact O-N 3.17Å; G442-H445 VanDerWaalsContact O-N 3.07Å; N443-H445 PolarHBondContact O-N 3.48Å; H445-E447 IonicContact CE1-OE2 3.92Å; H445-E447 PolarHBondContact CE1-OE2 3.35Å; H445-E447 VanDerWaalsContact CE1-OE2 3.27Å; H445-E447 PolarHBondContact ND1-N 2.97Å; H445-E447 IonicContact ND1-OE2 3.27Å; H445-E447 PolarHBondContact O-N 2.9Å; H445-H531 AromaticContact CE1-CE1 3.93Å; H445-H531 AromaticContact CE1-ND1 3.56Å; H445-H531 AromaticContact NE2-CE1 3.88Å; H445-H531 AromaticContact NE2-ND1 3.07Å; H445-H531 PolarHBondContact NE2-ND1 2.83Å; H445-H531 PolarHBondContact NE2-O 3.27Å
446G97.1Very high96.5Very high0 Ų043.3 Ų43.30%024%0.24CC..THydrogen-bonded Turntrans-77.825.3-170.300000116.1G252 F444 Y448 P449 A450G252-G446 PolarHBondContact O-N 3.38Å; F444-G446 PolarHBondContact O-N 3.45Å; G446-Y448 PolarHBondContact O-N 3.31Å; G446-P449 VanDerWaalsContact O-CD 3.29Å; G446-P449 WeakPolarHBondContact O-CD 3.32Å; G446-P449 WeakPolarHBondContact O-CG 3.44Å; G446-A450 WeakPolarHBondContact O-CB 3.38Å; G446-A450 PolarHBondContact O-N 2.73Å
447E97.9Very high96.7Very high40 Ų4041.6 Ų41.619%0.18722%0.222CC..Hα-helixtrans-64.9-43.3-171-16466.8-16800112.1H445 A450 K451 H531 S533H445-E447 IonicContact CE1-OE2 3.92Å; H445-E447 PolarHBondContact CE1-OE2 3.35Å; H445-E447 VanDerWaalsContact CE1-OE2 3.27Å; H445-E447 PolarHBondContact ND1-N 2.97Å; H445-E447 IonicContact ND1-OE2 3.27Å; H445-E447 PolarHBondContact O-N 2.9Å; E447-A450 PolarHBondContact O-N 3.01Å; E447-K451 PolarHBondContact O-N 2.83Å; E447-K451 WeakPolarHBondContact OE1-CE 3.5Å; E447-K451 IonicContact OE1-NZ 3.68Å; E447-K451 PolarHBondContact OE1-NZ 3.41Å; E447-H531 IonicContact OE2-CE1 3.8Å; E447-S533 WeakPolarHBondContact OE2-CA 3.35Å; E447-S533 VanDerWaalsContact OE2-CB 3.23Å; E447-S533 WeakPolarHBondContact OE2-CB 3.49Å
448Y97.8Very high96.9Very high171 Ų17142.3 Ų42.367%0.67123%0.228SC*.Hα-helixtrans-57.2-58.2178.1-80.7-81.4000112.3G446 A450 A452G446-Y448 PolarHBondContact O-N 3.31Å; Y448-A450 VanDerWaalsContact C-N 3.33Å; Y448-A450 PolarHBondContact O-N 3.12Å; Y448-A452 WeakPolarHBondContact O-CB 3.4Å; Y448-A452 PolarHBondContact O-N 3.17Å; Y448-A452 VanDerWaalsContact O-N 3.17Å
449P97.9Very high97.2Very high0 Ų041.2 Ų41.20%022%0.222CC..Hα-helixtrans-67.6-31.6178.527.4-36.1000112.5I312 I418 E421 G446 A452 L453I312-P449 HydrophobicContact CG2-CB 3.74Å; I312-P449 HydrophobicContact CG2-CG 3.93Å; I418-P449 HydrophobicContact CD1-CB 4Å; E421-P449 HydrophobicContact CG-CB 4.32Å; E421-P449 HydrophobicContact CG-CG 4.04Å; G446-P449 VanDerWaalsContact O-CD 3.29Å; G446-P449 WeakPolarHBondContact O-CD 3.32Å; G446-P449 WeakPolarHBondContact O-CG 3.44Å; P449-A452 PolarHBondContact O-N 3.3Å; P449-L453 WeakPolarHBondContact O-CB 3.44Å; P449-L453 WeakPolarHBondContact O-CD1 3.34Å; P449-L453 WeakPolarHBondContact O-CG 3.36Å; P449-L453 PolarHBondContact O-N 2.65Å
450A98.4Very high97.4Very high0 Ų038.2 Ų38.20%021%0.207CC..Hα-helixtrans-60.9-51.4177.400000112.5G446 E447 Y448 A452 L453 D454 G535 A538G446-A450 WeakPolarHBondContact O-CB 3.38Å; G446-A450 PolarHBondContact O-N 2.73Å; E447-A450 PolarHBondContact O-N 3.01Å; Y448-A450 VanDerWaalsContact C-N 3.33Å; Y448-A450 PolarHBondContact O-N 3.12Å; A450-A452 PolarHBondContact O-N 3.22Å; A450-L453 PolarHBondContact O-N 3.2Å; A450-D454 PolarHBondContact O-N 3.18Å; A450-D454 VanDerWaalsContact O-N 3.1Å; A450-G535 VanDerWaalsContact CB-CA 3.48Å; A450-A538 HydrophobicContact CB-CB 4.43Å
451K98.6Very high97.7Very high72 Ų7235.2 Ų35.231%0.31318%0.184SC..Hα-helixtrans-64.9-41178.4-68-160.7-172.4-48.90111.9E447 L453 D454 F455 S518E447-K451 PolarHBondContact O-N 2.83Å; E447-K451 WeakPolarHBondContact OE1-CE 3.5Å; E447-K451 IonicContact OE1-NZ 3.68Å; E447-K451 PolarHBondContact OE1-NZ 3.41Å; K451-L453 VanDerWaalsContact C-N 3.28Å; K451-L453 PolarHBondContact O-N 3.02Å; K451-D454 PolarHBondContact O-N 2.92Å; K451-F455 HydrophobicContact CB-CE2 4.13Å; K451-F455 HydrophobicContact CB-CZ 4.26Å; K451-F455 WeakPolarHBondContact O-CD2 3.12Å; K451-F455 VanDerWaalsContact O-CG 3.22Å; K451-F455 WeakPolarHBondContact O-CG 3.34Å; K451-F455 PolarHBondContact O-N 3.35Å; K451-S518 PolarHBondContact NZ-O 3.17Å
452A98.7Very high98Very high1 Ų137 Ų371%0.00818%0.182CC..Hα-helixtrans-58.1-42.1177.300000111.6V414 I417 Y448 P449 A450 F455 L456V414-A452 HydrophobicContact CG1-CB 4.11Å; V414-A452 HydrophobicContact CG2-CB 4.24Å; V414-A452 WeakPolarHBondContact CG2-O 3.17Å; I417-A452 HydrophobicContact CB-CB 4.16Å; I417-A452 HydrophobicContact CD1-CB 3.96Å; I417-A452 HydrophobicContact CG2-CB 3.94Å; Y448-A452 WeakPolarHBondContact O-CB 3.4Å; Y448-A452 PolarHBondContact O-N 3.17Å; Y448-A452 VanDerWaalsContact O-N 3.17Å; P449-A452 PolarHBondContact O-N 3.3Å; A450-A452 PolarHBondContact O-N 3.22Å; A452-F455 PolarHBondContact O-N 3.08Å; A452-L456 PolarHBondContact O-N 2.95Å
453L98.8Very high98.2Very high0 Ų035.1 Ų35.10%016%0.162CC..Hα-helixtrans-74.3-28.6180-67.9166000113.6I312 G316 A319 P449 A450 K451 L456 S457 A538 A539 A542I312-L453 HydrophobicContact CG2-CD1 3.77Å; G316-L453 VanDerWaalsContact CA-CD2 3.43Å; A319-L453 HydrophobicContact CB-CD2 4.45Å; P449-L453 WeakPolarHBondContact O-CB 3.44Å; P449-L453 WeakPolarHBondContact O-CD1 3.34Å; P449-L453 WeakPolarHBondContact O-CG 3.36Å; P449-L453 PolarHBondContact O-N 2.65Å; A450-L453 PolarHBondContact O-N 3.2Å; K451-L453 VanDerWaalsContact C-N 3.28Å; K451-L453 PolarHBondContact O-N 3.02Å; L453-L456 HydrophobicContact CD2-CD2 4.05Å; L453-L456 PolarHBondContact O-N 2.93Å; L453-S457 PolarHBondContact O-N 3.38Å; L453-S457 PolarHBondContact O-OG 3.16Å; L453-A538 HydrophobicContact CB-CB 4.14Å; L453-A539 HydrophobicContact CD1-CB 3.56Å; L453-A542 HydrophobicContact CB-CB 4.23Å; L453-A542 HydrophobicContact CD2-CB 4.18Å
454D98.9Very high98.3Very high1 Ų131 Ų311%0.00514%0.14CC..Hα-helixtrans-63.5-45.8167.1-81.1-24.4000111.4A450 K451 L456 S457 I458 P516 S517 S518 K541A450-D454 PolarHBondContact O-N 3.18Å; A450-D454 VanDerWaalsContact O-N 3.1Å; K451-D454 PolarHBondContact O-N 2.92Å; D454-L456 VanDerWaalsContact C-N 3.34Å; D454-L456 PolarHBondContact O-N 3.36Å; D454-S457 WeakPolarHBondContact O-CB 3.46Å; D454-S457 PolarHBondContact O-N 2.84Å; D454-I458 WeakPolarHBondContact O-CG1 3.42Å; D454-I458 PolarHBondContact O-N 2.65Å; D454-P516 HydrophobicContact CB-CB 4.19Å; D454-P516 VanDerWaalsContact CG-CA 3.48Å; D454-P516 WeakPolarHBondContact OD1-CA 3.25Å; D454-P516 VanDerWaalsContact OD2-CA 3.3Å; D454-P516 WeakPolarHBondContact OD2-CA 3.46Å; D454-P516 VanDerWaalsContact OD2-CB 3.29Å; D454-P516 WeakPolarHBondContact OD2-CB 3.39Å; D454-S517 PolarHBondContact OD1-N 3.24Å; D454-S517 PolarHBondContact OD2-N 3.13Å; D454-S518 WeakPolarHBondContact OD2-CB 3.33Å; D454-S518 PolarHBondContact OD2-N 3.31Å; D454-S518 PolarHBondContact OD2-OG 2.82Å; D454-K541 WeakPolarHBondContact OD1-CE 3.35Å; D454-K541 IonicContact OD1-NZ 3.69Å; D454-K541 PolarHBondContact OD1-NZ 2.98Å
455F98.9Very high98.5Very high92 Ų9230.7 Ų30.740%0.40414%0.142SC..Hα-helixtrans-63.3-39.9176-56.2-32.7000112.2T410 F413 K451 A452 S457 I458 A459T410-F455 HydrophobicContact CG2-CB 4.14Å; F413-F455 AromaticContact CE1-CD2 3.83Å; F413-F455 HydrophobicContact CE1-CD2 3.83Å; F413-F455 HydrophobicContact CE1-CE2 4.27Å; K451-F455 HydrophobicContact CB-CE2 4.13Å; K451-F455 HydrophobicContact CB-CZ 4.26Å; K451-F455 WeakPolarHBondContact O-CD2 3.12Å; K451-F455 VanDerWaalsContact O-CG 3.22Å; K451-F455 WeakPolarHBondContact O-CG 3.34Å; K451-F455 PolarHBondContact O-N 3.35Å; A452-F455 PolarHBondContact O-N 3.08Å; F455-S457 VanDerWaalsContact C-N 3.34Å; F455-S457 PolarHBondContact O-N 3.16Å; F455-I458 PolarHBondContact O-N 3.36Å; F455-A459 WeakPolarHBondContact O-CB 3.47Å; F455-A459 PolarHBondContact O-N 3.11Å
456L98.9Very high98.5Very high0 Ų029.1 Ų29.10%014%0.135CC..Hα-helixtrans-58-47.9174-171.267.1000111A319 V320 A323 I411 V414 A452 L453 D454 I458 A459 V460 A542A319-L456 HydrophobicContact CB-CD2 3.79Å; V320-L456 HydrophobicContact CB-CD2 4.35Å; V320-L456 HydrophobicContact CG2-CD1 4.48Å; A323-L456 HydrophobicContact CB-CD1 3.99Å; I411-L456 HydrophobicContact CB-CD1 4.49Å; I411-L456 HydrophobicContact CG1-CD1 3.82Å; V414-L456 HydrophobicContact CB-CD1 4.4Å; V414-L456 HydrophobicContact CG1-CB 4.22Å; V414-L456 HydrophobicContact CG1-CD1 4.38Å; V414-L456 HydrophobicContact CG1-CD2 4.34Å; V414-L456 HydrophobicContact CG2-CB 4.11Å; A452-L456 PolarHBondContact O-N 2.95Å; L453-L456 HydrophobicContact CD2-CD2 4.05Å; L453-L456 PolarHBondContact O-N 2.93Å; D454-L456 VanDerWaalsContact C-N 3.34Å; D454-L456 PolarHBondContact O-N 3.36Å; L456-I458 VanDerWaalsContact C-N 3.34Å; L456-I458 PolarHBondContact O-N 3.32Å; L456-A459 PolarHBondContact O-N 3.29Å; L456-V460 HydrophobicContact CD1-CG2 3.73Å; L456-V460 HydrophobicContact CG-CG2 4.11Å; L456-V460 VanDerWaalsContact O-CB 3.32Å; L456-V460 WeakPolarHBondContact O-CB 3.17Å; L456-V460 VanDerWaalsContact O-CG2 3.25Å; L456-V460 WeakPolarHBondContact O-CG2 3.38Å; L456-V460 PolarHBondContact O-N 2.81Å; L456-A542 HydrophobicContact CD2-CB 4.48Å
457S98.9Very high98.6Very high1 Ų129.1 Ų29.11%0.00714%0.135CC..Hα-helixtrans-58.7-46.4179.4-56.20000111.4L453 D454 F455 H461 C514 A542L453-S457 PolarHBondContact O-N 3.38Å; L453-S457 PolarHBondContact O-OG 3.16Å; D454-S457 WeakPolarHBondContact O-CB 3.46Å; D454-S457 PolarHBondContact O-N 2.84Å; F455-S457 VanDerWaalsContact C-N 3.34Å; F455-S457 PolarHBondContact O-N 3.16Å; S457-H461 VanDerWaalsContact O-CB 3.25Å; S457-H461 WeakPolarHBondContact O-CB 3.38Å; S457-H461 PolarHBondContact O-N 3.41Å; S457-C514 PolarHBondContact O-SG 3.37Å; S457-C514 VanDerWaalsContact O-SG 3.38Å; S457-A542 VanDerWaalsContact OG-CA 3.24Å; S457-A542 WeakPolarHBondContact OG-CA 3.36Å; S457-A542 WeakPolarHBondContact OG-CB 3.28Å
458I98.9Very high98.7Very high83 Ų8327.5 Ų27.543%0.42613%0.128SC..Hα-helixtrans-63.2-47179.7-67.9163.6000110.9D454 F455 L456 C514D454-I458 WeakPolarHBondContact O-CG1 3.42Å; D454-I458 PolarHBondContact O-N 2.65Å; F455-I458 PolarHBondContact O-N 3.36Å; L456-I458 VanDerWaalsContact C-N 3.34Å; L456-I458 PolarHBondContact O-N 3.32Å; I458-C514 HydrophobicContact CG1-CB 4.26Å
459A98.7Very high98.7Very high11 Ų1124.9 Ų24.99%0.09112%0.116CC..Hα-helixtrans-73.9-41.2-174.100000113T410 F455 L456 E462T410-A459 VanDerWaalsContact CB-CB 3.49Å; T410-A459 HydrophobicContact CG2-CB 3.54Å; F455-A459 WeakPolarHBondContact O-CB 3.47Å; F455-A459 PolarHBondContact O-N 3.11Å; L456-A459 PolarHBondContact O-N 3.29Å; A459-E462 PolarHBondContact O-N 2.82Å
460V98.6Very high98.8Very high0 Ų024.9 Ų24.90%012%0.116CC..Hα-helixtrans-74.6-30.3-177.2177.60000111.7A323 I411 L456 E462 L463 V546 V549A323-V460 HydrophobicContact CB-CG1 4.41Å; A323-V460 HydrophobicContact CB-CG2 3.73Å; I411-V460 HydrophobicContact CD1-CG2 4.06Å; I411-V460 HydrophobicContact CG1-CG2 3.92Å; L456-V460 HydrophobicContact CD1-CG2 3.73Å; L456-V460 HydrophobicContact CG-CG2 4.11Å; L456-V460 VanDerWaalsContact O-CB 3.32Å; L456-V460 WeakPolarHBondContact O-CB 3.17Å; L456-V460 VanDerWaalsContact O-CG2 3.25Å; L456-V460 WeakPolarHBondContact O-CG2 3.38Å; L456-V460 PolarHBondContact O-N 2.81Å; V460-E462 PolarHBondContact O-N 3.35Å; V460-L463 HydrophobicContact CG1-CD1 4.45Å; V460-L463 WeakPolarHBondContact O-CB 3.38Å; V460-L463 PolarHBondContact O-N 3.36Å; V460-L463 VanDerWaalsContact O-N 3.14Å; V460-V546 HydrophobicContact CG1-CG2 4.08Å; V460-V549 HydrophobicContact CG1-CB 4.36Å; V460-V549 HydrophobicContact CG1-CG1 4.29Å; V460-V549 HydrophobicContact CG1-CG2 4Å; V460-V549 WeakPolarHBondContact O-CG2 3.45Å
461H98.6Very high98.8Very high15 Ų1524.9 Ų24.97%0.06912%0.116CC..Hα-helixtrans-52.4-38.8172.4167.260.5000112.9S457 L463 A464 S465 V507 N510 C514 V545S457-H461 VanDerWaalsContact O-CB 3.25Å; S457-H461 WeakPolarHBondContact O-CB 3.38Å; S457-H461 PolarHBondContact O-N 3.41Å; H461-L463 PolarHBondContact O-N 2.64Å; H461-L463 VanDerWaalsContact O-N 3.17Å; H461-A464 PolarHBondContact O-N 3.29Å; H461-S465 PolarHBondContact O-N 3.24Å; H461-V507 PolarHBondContact CE1-O 3.28Å; H461-N510 WeakPolarHBondContact ND1-CB 3.45Å; H461-C514 WeakPolarHBondContact CB-SG 3.28Å; H461-V545 HydrophobicContact CB-CG1 4.06Å
462E98.6Very high98.8Very high79 Ų7923.5 Ų23.537%0.36911%0.111SC..Hα-helixtrans-61.4-27.5-177-73.8-64.6100.900112.7V403 A459 V460 S465 I466V403-E462 HydrophobicContact CG1-CB 4.03Å; A459-E462 PolarHBondContact O-N 2.82Å; V460-E462 PolarHBondContact O-N 3.35Å; E462-S465 PolarHBondContact O-N 3.38Å; E462-I466 VanDerWaalsContact O-CG2 3.25Å; E462-I466 WeakPolarHBondContact O-CG2 3.39Å; E462-I466 PolarHBondContact O-N 3.06Å
463L98.9Very high98.8Very high0 Ų026 Ų260%012%0.12CC..Hα-helixtrans-63.1-42.8173.7-60.2178.8000111.6A327 A330 H404 A407 V460 H461 I466 S467 V549A327-L463 HydrophobicContact CB-CD1 3.8Å; A330-L463 HydrophobicContact CB-CD2 4.42Å; H404-L463 HydrophobicContact CB-CD2 3.96Å; A407-L463 HydrophobicContact CB-CD1 4.43Å; A407-L463 HydrophobicContact CB-CD2 3.97Å; A407-L463 HydrophobicContact CB-CG 4.1Å; V460-L463 HydrophobicContact CG1-CD1 4.45Å; V460-L463 WeakPolarHBondContact O-CB 3.38Å; V460-L463 PolarHBondContact O-N 3.36Å; V460-L463 VanDerWaalsContact O-N 3.14Å; H461-L463 PolarHBondContact O-N 2.64Å; H461-L463 VanDerWaalsContact O-N 3.17Å; L463-I466 WeakPolarHBondContact O-CG2 3.1Å; L463-S467 WeakPolarHBondContact O-CB 3.29Å; L463-S467 PolarHBondContact O-N 3.38Å; L463-V549 HydrophobicContact CB-CG1 3.93Å; L463-V549 HydrophobicContact CD1-CG1 4.47Å
464A98.9Very high98.8Very high0 Ų026 Ų260%012%0.12CC..Hα-helixtrans-71.9-40.2174.800000111.8H461 I466 S467 E468 V507 V549 V552H461-A464 PolarHBondContact O-N 3.29Å; A464-I466 PolarHBondContact O-N 2.73Å; A464-S467 PolarHBondContact O-N 3.16Å; A464-E468 WeakPolarHBondContact O-CB 3.49Å; A464-E468 PolarHBondContact O-N 3.32Å; A464-V507 HydrophobicContact CB-CG2 3.92Å; A464-V507 WeakPolarHBondContact O-CG2 3.48Å; A464-V549 HydrophobicContact CB-CB 4.19Å; A464-V549 HydrophobicContact CB-CG1 4.49Å; A464-V549 HydrophobicContact CB-CG2 3.57Å; A464-V552 HydrophobicContact CB-CB 4.11Å; A464-V552 HydrophobicContact CB-CG1 4.13Å; A464-V552 HydrophobicContact CB-CG2 4.23Å
465S98.8Very high98.8Very high30 Ų3026 Ų2621%0.2112%0.121CC..Hα-helixtrans-57.4-50178.7-173.80000111.3H461 E462 R469H461-S465 PolarHBondContact O-N 3.24Å; E462-S465 PolarHBondContact O-N 3.38Å; S465-R469 WeakPolarHBondContact O-CG 3.5Å; S465-R469 PolarHBondContact O-N 3.39Å
466I98.9Very high98.7Very high15 Ų1523.9 Ų23.98%0.07711%0.114CC..Hα-helixtrans-72.9-34.2178.1-161.8173.8000112.6V403 E462 L463 A464 R469 R470V403-I466 HydrophobicContact CB-CD1 3.97Å; V403-I466 HydrophobicContact CG1-CB 4.33Å; V403-I466 HydrophobicContact CG1-CD1 4.08Å; V403-I466 HydrophobicContact CG1-CG2 4.18Å; V403-I466 HydrophobicContact CG2-CD1 4.02Å; E462-I466 VanDerWaalsContact O-CG2 3.25Å; E462-I466 WeakPolarHBondContact O-CG2 3.39Å; E462-I466 PolarHBondContact O-N 3.06Å; L463-I466 WeakPolarHBondContact O-CG2 3.1Å; A464-I466 PolarHBondContact O-N 2.73Å; I466-R469 PolarHBondContact O-N 3.38Å; I466-R470 PolarHBondContact O-N 2.84Å; I466-R470 VanDerWaalsContact O-N 3.17Å
467S98.9Very high98.6Very high0 Ų026.9 Ų26.90%013%0.133CC..Hα-helixtrans-62.2-45.9175.3174.90000112.1L463 A464 R469 R470 I471 E556L463-S467 WeakPolarHBondContact O-CB 3.29Å; L463-S467 PolarHBondContact O-N 3.38Å; A464-S467 PolarHBondContact O-N 3.16Å; S467-R469 VanDerWaalsContact C-N 3.29Å; S467-R469 PolarHBondContact O-N 2.94Å; S467-R470 CarbonylContact O-C 3.55Å; S467-R470 WeakPolarHBondContact O-CA 3.23Å; S467-R470 WeakPolarHBondContact O-CB 3.43Å; S467-R470 PolarHBondContact O-N 2.89Å; S467-I471 WeakPolarHBondContact O-CG1 3.14Å; S467-I471 PolarHBondContact O-N 2.9Å; S467-E556 WeakPolarHBondContact CA-OE2 3.42Å; S467-E556 WeakPolarHBondContact CB-OE2 3.28Å; S467-E556 WeakPolarHBondContact OG-CB 3.36Å; S467-E556 PolarHBondContact OG-OE2 3.19Å
468E98.8Very high98.5Very high7 Ų731.9 Ų31.93%0.03317%0.168CC..Hα-helixtrans-63.9-35.4178.9-177-77.9151.500112A464 R470 I471 E472 H500 A503 A504 V507 V552A464-E468 WeakPolarHBondContact O-CB 3.49Å; A464-E468 PolarHBondContact O-N 3.32Å; E468-R470 VanDerWaalsContact C-N 3.27Å; E468-R470 PolarHBondContact O-N 3.44Å; E468-I471 WeakPolarHBondContact O-CB 3.36Å; E468-I471 PolarHBondContact O-N 3Å; E468-E472 PolarHBondContact O-N 3.26Å; E468-H500 IonicContact OE1-CD2 2.75Å; E468-H500 PolarHBondContact OE1-CD2 3.14Å; E468-H500 IonicContact OE1-CE1 3.95Å; E468-H500 IonicContact OE1-NE2 3.19Å; E468-H500 PolarHBondContact OE1-NE2 2.98Å; E468-A503 HydrophobicContact CG-CB 4.09Å; E468-A504 HydrophobicContact CG-CB 4.38Å; E468-V507 HydrophobicContact CB-CG2 3.71Å; E468-V507 HydrophobicContact CG-CG2 4.13Å; E468-V552 HydrophobicContact CB-CG1 4.18Å
469R98.8Very high98.3Very high115 Ų11530.6 Ų30.643%0.43416%0.161SC..Hα-helixtrans-66.3-27.7171-62.3-68.189.6-177.25.1113T396 S465 I466 S467 R473T396-R469 HydrophobicContact CG2-CB 3.4Å; T396-R469 HydrophobicContact CG2-CG 4.21Å; S465-R469 WeakPolarHBondContact O-CG 3.5Å; S465-R469 PolarHBondContact O-N 3.39Å; I466-R469 PolarHBondContact O-N 3.38Å; S467-R469 VanDerWaalsContact C-N 3.29Å; S467-R469 PolarHBondContact O-N 2.94Å; R469-R473 WeakPolarHBondContact O-CG 3.34Å; R469-R473 PolarHBondContact O-N 3.3Å
470R98.8Very high98.1Very high0 Ų030.2 Ų30.20%016%0.158CC..Hα-helixtrans-74.6-35.8170.9-71-170.8-62.4-97.2-2.4111.9T337 T396 C400 H404 I466 S467 E468 R473 L474 E556T337-R470 HydrophobicContact CG2-CB 3.92Å; T337-R470 HydrophobicContact CG2-CG 4.38Å; T396-R470 VanDerWaalsContact O-CD 3.31Å; T396-R470 WeakPolarHBondContact O-CD 3.21Å; T396-R470 WeakPolarHBondContact O-CG 3.5Å; T396-R470 PolarHBondContact O-NH1 3.13Å; C400-R470 PolarHBondContact SG-NH1 3.33Å; H404-R470 PolarHBondContact NE2-NH1 3.44Å; I466-R470 PolarHBondContact O-N 2.84Å; I466-R470 VanDerWaalsContact O-N 3.17Å; S467-R470 CarbonylContact O-C 3.55Å; S467-R470 WeakPolarHBondContact O-CA 3.23Å; S467-R470 WeakPolarHBondContact O-CB 3.43Å; S467-R470 PolarHBondContact O-N 2.89Å; E468-R470 VanDerWaalsContact C-N 3.27Å; E468-R470 PolarHBondContact O-N 3.44Å; R470-R473 WeakPolarHBondContact O-CB 3.49Å; R470-R473 PolarHBondContact O-N 2.82Å; R470-L474 WeakPolarHBondContact O-CG 3.37Å; R470-L474 PolarHBondContact O-N 3.04Å; R470-E556 WeakPolarHBondContact CD-OE1 3.25Å; R470-E556 IonicContact CZ-OE1 2.76Å; R470-E556 IonicContact CZ-OE2 3.24Å; R470-E556 IonicContact NE-OE1 2.98Å; R470-E556 PolarHBondContact NE-OE1 2.91Å; R470-E556 IonicContact NE-OE2 3.41Å; R470-E556 PolarHBondContact NE-OE2 2.88Å; R470-E556 IonicContact NH2-OE1 2.77Å; R470-E556 IonicContact NH2-OE2 3.32Å; R470-E556 PolarHBondContact NH2-OE2 2.73Å
471I98.9Very high97.8Very high0 Ų035.7 Ų35.70%018%0.184CC..Hα-helixtrans-60.2-45.5171.3-62.1168.7000110.6S467 E468 R473 L474 C475 H500 A503 V552 I555 E556S467-I471 WeakPolarHBondContact O-CG1 3.14Å; S467-I471 PolarHBondContact O-N 2.9Å; E468-I471 WeakPolarHBondContact O-CB 3.36Å; E468-I471 PolarHBondContact O-N 3Å; I471-R473 VanDerWaalsContact C-N 3.3Å; I471-R473 PolarHBondContact O-N 3.39Å; I471-L474 PolarHBondContact O-N 3.01Å; I471-C475 PolarHBondContact O-N 3.13Å; I471-C475 PolarHBondContact O-SG 2.99Å; I471-H500 HydrophobicContact CG2-CB 3.94Å; I471-A503 HydrophobicContact CD1-CB 3.72Å; I471-V552 HydrophobicContact CD1-CG1 4.19Å; I471-I555 HydrophobicContact CD1-CB 4.05Å; I471-I555 HydrophobicContact CD1-CG2 3.83Å; I471-I555 HydrophobicContact CG2-CG2 4.43Å; I471-E556 HydrophobicContact CD1-CB 3.99Å; I471-E556 HydrophobicContact CG1-CB 3.72Å; I471-E556 HydrophobicContact CG1-CG 4.05Å
472E98.6Very high97.8Very high43 Ų4335.6 Ų35.620%0.20118%0.184CC..Hα-helixtrans-55.2-48175.3-176.5-82.1157.400110.9E468 L474 C475 N476 L479E468-E472 PolarHBondContact O-N 3.26Å; E472-L474 PolarHBondContact O-N 2.82Å; E472-C475 PolarHBondContact O-N 2.89Å; E472-N476 WeakPolarHBondContact O-CB 3.38Å; E472-N476 PolarHBondContact O-N 2.87Å; E472-N476 PolarHBondContact OE1-ND2 3.42Å; E472-L479 WeakPolarHBondContact OE1-CD1 3.43Å; E472-L479 WeakPolarHBondContact OE2-CD1 3.34Å
473R98.4Very high97.7Very high54 Ų5434 Ų3420%0.20418%0.181CC..Hα-helixtrans-59.4-45.8178.5-76.2-177.9166.7-72.3-18112.5L341 T396 R469 R470 I471 C475 N476 L479 S480L341-R473 HydrophobicContact CD1-CB 3.87Å; T396-R473 WeakPolarHBondContact OG1-CD 3.41Å; T396-R473 PolarHBondContact OG1-NE 3.08Å; R469-R473 WeakPolarHBondContact O-CG 3.34Å; R469-R473 PolarHBondContact O-N 3.3Å; R470-R473 WeakPolarHBondContact O-CB 3.49Å; R470-R473 PolarHBondContact O-N 2.82Å; I471-R473 VanDerWaalsContact C-N 3.3Å; I471-R473 PolarHBondContact O-N 3.39Å; R473-C475 VanDerWaalsContact C-N 3.34Å; R473-C475 PolarHBondContact O-N 3.05Å; R473-N476 PolarHBondContact O-N 3.42Å; R473-L479 HydrophobicContact CB-CB 4.45Å; R473-L479 HydrophobicContact CG-CB 4.31Å; R473-L479 HydrophobicContact CG-CD1 4.03Å; R473-S480 WeakPolarHBondContact O-CB 3.45Å
474L98.7Very high97.7Very high0 Ų035.8 Ų35.80%020%0.195CC..Hα-helixtrans-58.9-46177.2-73.4167.6000111.3T337 V340 L341 R470 I471 E472 S480 L482 L486 A559 A560T337-L474 HydrophobicContact CG2-CD1 3.79Å; T337-L474 HydrophobicContact CG2-CD2 4.13Å; T337-L474 HydrophobicContact CG2-CG 3.92Å; V340-L474 HydrophobicContact CB-CD2 4.11Å; V340-L474 HydrophobicContact CG1-CD2 3.42Å; V340-L474 VanDerWaalsContact CG1-CD2 3.42Å; L341-L474 HydrophobicContact CD1-CD2 4.5Å; L341-L474 HydrophobicContact CD2-CD2 3.94Å; L341-L474 HydrophobicContact CD2-CG 4.48Å; L341-L474 HydrophobicContact CG-CD2 3.98Å; R470-L474 WeakPolarHBondContact O-CG 3.37Å; R470-L474 PolarHBondContact O-N 3.04Å; I471-L474 PolarHBondContact O-N 3.01Å; E472-L474 PolarHBondContact O-N 2.82Å; L474-S480 PolarHBondContact O-OG 3.42Å; L474-S480 VanDerWaalsContact O-OG 3.12Å; L474-L482 HydrophobicContact CD2-CD1 4.45Å; L474-L486 HydrophobicContact CB-CD1 4.25Å; L474-L486 WeakPolarHBondContact O-CD2 3.4Å; L474-A559 HydrophobicContact CD1-CB 3.82Å; L474-A560 HydrophobicContact CD1-CB 4.37Å
475C98.4Very high97.7Very high2 Ų239.1 Ų39.11%0.01421%0.209CC..Hα-helixtrans-75.9-22.6-176.6-65.10000113.8I471 E472 R473 P477 F485I471-C475 PolarHBondContact O-N 3.13Å; I471-C475 PolarHBondContact O-SG 2.99Å; E472-C475 PolarHBondContact O-N 2.89Å; R473-C475 VanDerWaalsContact C-N 3.34Å; R473-C475 PolarHBondContact O-N 3.05Å; C475-P477 WeakPolarHBondContact O-CD 3.42Å; C475-F485 HydrophobicContact CB-CD1 4Å; C475-F485 PolarHBondContact O-N 3.17Å
476N98.1Very high97.6Very high47 Ų4737.7 Ų37.725%0.25120%0.2SC..  trans-91.5111.8-174.8-174-18.8000111E472 R473 S478 L479 S480E472-N476 WeakPolarHBondContact O-CB 3.38Å; E472-N476 PolarHBondContact O-N 2.87Å; E472-N476 PolarHBondContact OE1-ND2 3.42Å; R473-N476 PolarHBondContact O-N 3.42Å; N476-S478 PolarHBondContact O-N 3.24Å; N476-S478 VanDerWaalsContact O-N 3.13Å; N476-S478 WeakPolarHBondContact OD1-CB 3.49Å; N476-S478 PolarHBondContact OD1-N 3.4Å; N476-L479 HydrophobicContact CB-CB 4.22Å; N476-L479 HydrophobicContact CB-CD1 4.03Å; N476-L479 HydrophobicContact CB-CG 4.14Å; N476-L479 WeakPolarHBondContact ND2-CD1 3.19Å; N476-L479 PolarHBondContact O-N 3.22Å; N476-S480 PolarHBondContact O-N 3.49Å; N476-S480 PolarHBondContact O-OG 2.97Å; N476-S480 VanDerWaalsContact O-OG 3.05Å
477P96.4Very high97.6Very high62 Ų6237.1 Ų37.140%0.40320%0.197SC..Hα-helixtrans-64.2-23.5-17629.8-37.1000112.8C475 L479 L482 A484C475-P477 WeakPolarHBondContact O-CD 3.42Å; P477-L479 PolarHBondContact O-N 3.32Å; P477-L482 WeakPolarHBondContact CA-O 3.39Å; P477-L482 WeakPolarHBondContact CB-O 3.31Å; P477-A484 HydrophobicContact CB-CB 4.39Å; P477-A484 HydrophobicContact CG-CB 3.89Å
478S95.7Very high97.4Very high106 Ų10640.8 Ų40.874%0.74122%0.217SC*.Hα-helixtrans-73.1-12.2174.6-56.60000113.2N476N476-S478 PolarHBondContact O-N 3.24Å; N476-S478 VanDerWaalsContact O-N 3.13Å; N476-S478 WeakPolarHBondContact OD1-CB 3.49Å; N476-S478 PolarHBondContact OD1-N 3.4Å
479L95.4Very high97.3Very high56 Ų5647.3 Ų47.329%0.29325%0.247SC..Hα-helixtrans-119.4-25.6-176.2-58.5179.8000113.6E472 R473 N476 P477E472-L479 WeakPolarHBondContact OE1-CD1 3.43Å; E472-L479 WeakPolarHBondContact OE2-CD1 3.34Å; R473-L479 HydrophobicContact CB-CB 4.45Å; R473-L479 HydrophobicContact CG-CB 4.31Å; R473-L479 HydrophobicContact CG-CD1 4.03Å; N476-L479 HydrophobicContact CB-CB 4.22Å; N476-L479 HydrophobicContact CB-CD1 4.03Å; N476-L479 HydrophobicContact CB-CG 4.14Å; N476-L479 WeakPolarHBondContact ND2-CD1 3.19Å; N476-L479 PolarHBondContact O-N 3.22Å; P477-L479 PolarHBondContact O-N 3.32Å
480S94.5Very high97Very high3 Ų344.8 Ų44.82%0.02126%0.257CS..Hα-helixtrans-102.5-20.8-176.553.90000116R473 L474 N476 L482R473-S480 WeakPolarHBondContact O-CB 3.45Å; L474-S480 PolarHBondContact O-OG 3.42Å; L474-S480 VanDerWaalsContact O-OG 3.12Å; N476-S480 PolarHBondContact O-N 3.49Å; N476-S480 PolarHBondContact O-OG 2.97Å; N476-S480 VanDerWaalsContact O-OG 3.05Å; S480-L482 PolarHBondContact O-N 2.92Å; S480-L482 WeakPolarHBondContact OG-CB 3.37Å; S480-L482 PolarHBondContact OG-N 3.37Å
481E93.5Very high96.7Very high116 Ų11648.8 Ų48.854%0.54230%0.298SS..SBendtrans60.316.8-162.9-51.1170.1-175.400113.5K342 R390K342-E481 IonicContact NZ-OE2 3.54Å; K342-E481 PolarHBondContact NZ-OE2 2.97Å; R390-E481 IonicContact CZ-OE1 3.57Å; R390-E481 IonicContact NE-OE1 3.14Å; R390-E481 IonicContact NH2-OE1 3.82Å; R390-E481 PolarHBondContact NH2-OE1 3.06Å; R390-E481 IonicContact NH2-OE2 2.77Å
482L97Very high96.6Very high12 Ų1255.2 Ų55.26%0.06333%0.332CS..SBendtrans-104.4163.9175.7-59.1174.1000110.3V340 L474 P477 S480 L486 F566 L567V340-L482 HydrophobicContact CG1-CD1 3.69Å; L474-L482 HydrophobicContact CD2-CD1 4.45Å; P477-L482 WeakPolarHBondContact CA-O 3.39Å; P477-L482 WeakPolarHBondContact CB-O 3.31Å; S480-L482 PolarHBondContact O-N 2.92Å; S480-L482 WeakPolarHBondContact OG-CB 3.37Å; S480-L482 PolarHBondContact OG-N 3.37Å; L482-L486 HydrophobicContact CB-CD2 4.05Å; L482-L486 HydrophobicContact CD1-CD2 3.61Å; L482-L486 HydrophobicContact CG-CD2 4.49Å; L482-F566 HydrophobicContact CD2-CB 3.92Å; L482-L567 HydrophobicContact CD2-CD2 4.09Å; L482-L567 HydrophobicContact CD2-CG 4.37Å
483P97.8Very high96.5Very high47 Ų4754.1 Ų54.131%0.30533%0.327SS..  trans-55.4144170.7-26.437.2000111.9F485 L486 V487 F566P483-F485 PolarHBondContact O-N 3.01Å; P483-L486 PolarHBondContact O-N 3.47Å; P483-V487 WeakPolarHBondContact CB-O 3.47Å; P483-F566 HydrophobicContact CB-CE1 4.43Å; P483-F566 HydrophobicContact CG-CD1 3.75Å; P483-F566 HydrophobicContact CG-CE1 3.71Å; P483-F566 HydrophobicContact CG-CG 4.26Å; P483-F566 HydrophobicContact CG-CZ 4.19Å
484A98Very high96.5Very high37 Ų3754 Ų5431%0.30634%0.335SS..G310 helixtrans-54.1130.7178.300000110.9P477 L486P477-A484 HydrophobicContact CB-CB 4.39Å; P477-A484 HydrophobicContact CG-CB 3.89Å; A484-L486 PolarHBondContact O-N 3.41Å; A484-L486 VanDerWaalsContact O-N 3.11Å
485F98.4Very high96.5Very high69 Ų6954.4 Ų54.430%0.30334%0.339SS..G310 helixtrans55.225.1-178.6-46.6-71.9000114.6C475 P483 V487 S494 F496 M497C475-F485 HydrophobicContact CB-CD1 4Å; C475-F485 PolarHBondContact O-N 3.17Å; P483-F485 PolarHBondContact O-N 3.01Å; F485-V487 VanDerWaalsContact C-N 3.31Å; F485-V487 PolarHBondContact O-N 3.06Å; F485-S494 VanDerWaalsContact CB-O 3.28Å; F485-S494 WeakPolarHBondContact CB-O 3.33Å; F485-F496 PolarHBondContact O-N 3.46Å; F485-M497 HydrophobicContact CB-CB 4.35Å; F485-M497 HydrophobicContact CD1-CB 3.74Å; F485-M497 HydrophobicContact CD1-CG 4.13Å; F485-M497 HydrophobicContact CD2-CB 4.41Å; F485-M497 HydrophobicContact CD2-CE 3.8Å; F485-M497 HydrophobicContact CE1-CB 4.12Å; F485-M497 HydrophobicContact CE1-CG 3.97Å; F485-M497 HydrophobicContact CE2-CE 3.58Å; F485-M497 HydrophobicContact CG-CB 3.9Å; F485-M497 HydrophobicContact CG-CE 4.39Å; F485-M497 HydrophobicContact CZ-CE 3.99Å; F485-M497 HydrophobicContact CZ-CG 4.23Å
486L98.4Very high96.5Very high0 Ų054.6 Ų54.60%034%0.339CS..G310 helixtrans57.638.9173.3-53.5176.2000114L474 L482 P483 A484 F496 A559 Q562 F566L474-L486 HydrophobicContact CB-CD1 4.25Å; L474-L486 WeakPolarHBondContact O-CD2 3.4Å; L482-L486 HydrophobicContact CB-CD2 4.05Å; L482-L486 HydrophobicContact CD1-CD2 3.61Å; L482-L486 HydrophobicContact CG-CD2 4.49Å; P483-L486 PolarHBondContact O-N 3.47Å; A484-L486 PolarHBondContact O-N 3.41Å; A484-L486 VanDerWaalsContact O-N 3.11Å; L486-F496 HydrophobicContact CB-CD2 3.98Å; L486-F496 HydrophobicContact CD1-CD2 4.33Å; L486-F496 HydrophobicContact CD1-CG 4.29Å; L486-A559 HydrophobicContact CD1-CB 3.71Å; L486-A559 VanDerWaalsContact CD1-O 3.27Å; L486-A559 WeakPolarHBondContact CD1-O 3.36Å; L486-Q562 HydrophobicContact CB-CG 3.75Å; L486-Q562 HydrophobicContact CD1-CB 4.38Å; L486-Q562 HydrophobicContact CD1-CG 4.41Å; L486-Q562 WeakPolarHBondContact O-CG 3.44Å; L486-Q562 PolarHBondContact O-NE2 3.36Å; L486-Q562 VanDerWaalsContact O-NE2 3.07Å; L486-F566 VanDerWaalsContact C-CE2 3.42Å; L486-F566 HydrophobicContact CB-CE2 4.09Å; L486-F566 VanDerWaalsContact O-CE2 3.25Å; L486-F566 WeakPolarHBondContact O-CE2 3.48Å; L486-F566 WeakPolarHBondContact O-CZ 3.4Å
487V97.9Very high96.5Very high4 Ų455.5 Ų55.52%0.02434%0.343CS..  trans-137.3150.3179.574.30000112.3P483 F485 N493P483-V487 WeakPolarHBondContact CB-O 3.47Å; F485-V487 VanDerWaalsContact C-N 3.31Å; F485-V487 PolarHBondContact O-N 3.06Å; V487-N493 HydrophobicContact CB-CB 4.41Å; V487-N493 HydrophobicContact CG1-CB 4.01Å; V487-N493 HydrophobicContact CG2-CB 3.53Å
488N95.6Very high96.6Very high77 Ų7757.8 Ų57.841%0.41235%0.351SS..SBendtrans-79.6158.7169.9-69.5-49.8000110.8G490 N493 F566N488-G490 VanDerWaalsContact C-N 3.27Å; N488-G490 PolarHBondContact O-N 2.94Å; N488-N493 PolarHBondContact O-ND2 3Å; N488-F566 WeakPolarHBondContact OD1-CE1 3.01Å
489E95.2Very high96.7Very high143 Ų14352.9 Ų52.967%0.66832%0.317SS*.SBendtrans52.946178.6-57.8178178.500112.3G491 L492 N493E489-G491 PolarHBondContact O-N 3.35Å; E489-L492 PolarHBondContact O-N 3.29Å; E489-L492 VanDerWaalsContact O-N 3.11Å; E489-N493 PolarHBondContact O-N 3.26Å; E489-N493 VanDerWaalsContact O-N 3.13Å
490G93.5Very high96.9Very high62 Ų6251.8 Ų51.864%0.63931%0.31SS*.BIsolated β-bridgetrans-54.3134.6177.800000111.6N488N488-G490 VanDerWaalsContact C-N 3.27Å; N488-G490 PolarHBondContact O-N 2.94Å
491G92.1Very high97.1Very high84 Ų8455 Ų5587%0.86633%0.332SS*.THydrogen-bonded Turntrans102.9-32.8-172.700000113E489 N493E489-G491 PolarHBondContact O-N 3.35Å; G491-N493 PolarHBondContact N-O 2.68Å
492L96.3Very high97.3Very high136 Ų13652.5 Ų52.571%0.71232%0.324SS*.THydrogen-bonded Turntrans-87.4-43.6161.4179.361.9000110.5E489E489-L492 PolarHBondContact O-N 3.29Å; E489-L492 VanDerWaalsContact O-N 3.11Å
493N97.6Very high97.4Very high19 Ų1952 Ų5210%0.10232%0.321CS..BIsolated β-bridgetrans-103.3144.1172.6-57.3-81.6000110.5V487 N488 E489 G491 K592 D593V487-N493 HydrophobicContact CB-CB 4.41Å; V487-N493 HydrophobicContact CG1-CB 4.01Å; V487-N493 HydrophobicContact CG2-CB 3.53Å; N488-N493 PolarHBondContact O-ND2 3Å; E489-N493 PolarHBondContact O-N 3.26Å; E489-N493 VanDerWaalsContact O-N 3.13Å; G491-N493 PolarHBondContact N-O 2.68Å; N493-K592 WeakPolarHBondContact OD1-CA 3.36Å; N493-D593 WeakPolarHBondContact CA-OD2 3.44Å; N493-D593 PolarHBondContact OD1-N 3.26Å
494S97.9Very high97.4Very high52 Ų5251.4 Ų51.436%0.36432%0.321SS..  trans-101.8-17.1177.7-58.20000112.9F485 F496 M497 D593F485-S494 VanDerWaalsContact CB-O 3.28Å; F485-S494 WeakPolarHBondContact CB-O 3.33Å; S494-F496 PolarHBondContact O-N 3.35Å; S494-M497 VanDerWaalsContact O-CB 3.24Å; S494-M497 WeakPolarHBondContact O-CB 3.2Å; S494-M497 PolarHBondContact O-N 2.69Å; S494-D593 PolarHBondContact N-OD1 2.88Å; S494-D593 PolarHBondContact N-OD2 3.14Å
495G98.2Very high97.5Very high8 Ų852.5 Ų52.58%0.08233%0.326CS..THydrogen-bonded Turntrans58.9-12917400000112.9M497 D593 M596G495-M497 VanDerWaalsContact C-N 3.27Å; G495-M497 PolarHBondContact O-N 2.88Å; G495-D593 PolarHBondContact N-OD1 2.69Å; G495-M596 VanDerWaalsContact O-CE 3.29Å; G495-M596 WeakPolarHBondContact O-CE 3.46Å
496F98.6Very high97.5Very high7 Ų750.1 Ų50.13%0.03132%0.316CS..THydrogen-bonded Turntrans-83.46.4-177.1-78.9-108.6000114.5F485 L486 S494 I498 A499 H500 L558 A559 Q562 W590 M596F485-F496 PolarHBondContact O-N 3.46Å; L486-F496 HydrophobicContact CB-CD2 3.98Å; L486-F496 HydrophobicContact CD1-CD2 4.33Å; L486-F496 HydrophobicContact CD1-CG 4.29Å; S494-F496 PolarHBondContact O-N 3.35Å; F496-I498 PolarHBondContact O-N 3.02Å; F496-A499 HydrophobicContact CB-CB 4.5Å; F496-A499 HydrophobicContact CD1-CB 4.15Å; F496-A499 WeakPolarHBondContact O-CB 3.31Å; F496-A499 PolarHBondContact O-N 3.14Å; F496-H500 PolarHBondContact O-N 2.84Å; F496-L558 HydrophobicContact CE1-CB 3.9Å; F496-L558 HydrophobicContact CZ-CB 4.3Å; F496-A559 HydrophobicContact CD1-CB 3.92Å; F496-A559 HydrophobicContact CE1-CB 3.95Å; F496-Q562 HydrophobicContact CD2-CG 4.47Å; F496-Q562 HydrophobicContact CE2-CB 3.91Å; F496-Q562 HydrophobicContact CE2-CG 3.76Å; F496-Q562 HydrophobicContact CZ-CB 3.95Å; F496-Q562 HydrophobicContact CZ-CG 4.33Å; F496-W590 HydrophobicContact CE2-CB 4.02Å; F496-W590 HydrophobicContact CE2-CD2 4.47Å; F496-W590 HydrophobicContact CE2-CG 4.14Å; F496-M596 HydrophobicContact CD1-CE 4.41Å; F496-M596 HydrophobicContact CD2-CE 4.14Å; F496-M596 HydrophobicContact CE2-CE 4.27Å; F496-M596 HydrophobicContact CG-CE 4.21Å; F496-M596 HydrophobicContact CZ-CE 4.49Å
497M98.5Very high97.5Very high66 Ų6650.4 Ų50.433%0.32532%0.318SS..Hα-helixtrans-51.2-51.6-176.7-176-170.8-60.600112.7F485 S494 G495 H500 C501F485-M497 HydrophobicContact CB-CB 4.35Å; F485-M497 HydrophobicContact CD1-CB 3.74Å; F485-M497 HydrophobicContact CD1-CG 4.13Å; F485-M497 HydrophobicContact CD2-CB 4.41Å; F485-M497 HydrophobicContact CD2-CE 3.8Å; F485-M497 HydrophobicContact CE1-CB 4.12Å; F485-M497 HydrophobicContact CE1-CG 3.97Å; F485-M497 HydrophobicContact CE2-CE 3.58Å; F485-M497 HydrophobicContact CG-CB 3.9Å; F485-M497 HydrophobicContact CG-CE 4.39Å; F485-M497 HydrophobicContact CZ-CE 3.99Å; F485-M497 HydrophobicContact CZ-CG 4.23Å; S494-M497 VanDerWaalsContact O-CB 3.24Å; S494-M497 WeakPolarHBondContact O-CB 3.2Å; S494-M497 PolarHBondContact O-N 2.69Å; G495-M497 VanDerWaalsContact C-N 3.27Å; G495-M497 PolarHBondContact O-N 2.88Å; M497-H500 PolarHBondContact O-N 2.89Å; M497-C501 PolarHBondContact O-N 3.34Å; M497-C501 PolarHBondContact O-SG 3.32Å
498I98.2Very high97.5Very high110 Ų11053.4 Ų53.456%0.56434%0.339SS*.Hα-helixtrans-81.2-27.3-177.8-58.4-56.3000112.3F496 H500 C501 T502F496-I498 PolarHBondContact O-N 3.02Å; I498-H500 VanDerWaalsContact C-N 3.27Å; I498-H500 PolarHBondContact O-N 3.18Å; I498-C501 WeakPolarHBondContact O-CB 3.44Å; I498-C501 PolarHBondContact O-N 3.28Å; I498-T502 PolarHBondContact O-N 2.92Å; I498-T502 PolarHBondContact O-OG1 3.44Å; I498-T502 VanDerWaalsContact O-OG1 3.13Å
499A98.4Very high97.7Very high3 Ų354 Ų543%0.02534%0.34CS..Hα-helixtrans-58.4-42.5168.800000111.4F496 T502 A503 I555 M596 I600F496-A499 HydrophobicContact CB-CB 4.5Å; F496-A499 HydrophobicContact CD1-CB 4.15Å; F496-A499 WeakPolarHBondContact O-CB 3.31Å; F496-A499 PolarHBondContact O-N 3.14Å; A499-T502 WeakPolarHBondContact O-CB 3.49Å; A499-T502 PolarHBondContact O-N 2.8Å; A499-A503 PolarHBondContact O-N 3.26Å; A499-I555 HydrophobicContact CB-CG2 3.88Å; A499-M596 HydrophobicContact CB-CE 4.48Å; A499-M596 HydrophobicContact CB-SD 3.23Å; A499-M596 WeakPolarHBondContact CB-SD 3.43Å; A499-I600 HydrophobicContact CB-CD1 4.45Å
500H98.7Very high97.8Very high33 Ų3347.2 Ų47.215%0.15331%0.308CS..Hα-helixtrans-63.6-43.3175.1-178.7-148.1000111.6E468 I471 F496 M497 I498 T502 A503 A504E468-H500 IonicContact OE1-CD2 2.75Å; E468-H500 PolarHBondContact OE1-CD2 3.14Å; E468-H500 IonicContact OE1-CE1 3.95Å; E468-H500 IonicContact OE1-NE2 3.19Å; E468-H500 PolarHBondContact OE1-NE2 2.98Å; I471-H500 HydrophobicContact CG2-CB 3.94Å; F496-H500 PolarHBondContact O-N 2.84Å; M497-H500 PolarHBondContact O-N 2.89Å; I498-H500 VanDerWaalsContact C-N 3.27Å; I498-H500 PolarHBondContact O-N 3.18Å; H500-T502 VanDerWaalsContact C-N 3.3Å; H500-T502 PolarHBondContact O-N 3.33Å; H500-A503 PolarHBondContact O-N 3.47Å; H500-A504 WeakPolarHBondContact O-CB 3.25Å; H500-A504 PolarHBondContact O-N 2.98Å
501C98.7Very high98.1Very high71 Ų7150.4 Ų50.448%0.4830%0.304SS..Hα-helixtrans-57.5-42173.1-650000112.6M497 I498 A504 S505M497-C501 PolarHBondContact O-N 3.34Å; M497-C501 PolarHBondContact O-SG 3.32Å; I498-C501 WeakPolarHBondContact O-CB 3.44Å; I498-C501 PolarHBondContact O-N 3.28Å; C501-A504 PolarHBondContact O-N 3.32Å; C501-S505 PolarHBondContact O-N 3.49Å
502T98.5Very high98.4Very high63 Ų6351.9 Ų51.939%0.38730%0.296SS..Hα-helixtrans-60-49.4175.2-610000110.9I498 A499 H500 A504 S505 L506 I555I498-T502 PolarHBondContact O-N 2.92Å; I498-T502 PolarHBondContact O-OG1 3.44Å; I498-T502 VanDerWaalsContact O-OG1 3.13Å; A499-T502 WeakPolarHBondContact O-CB 3.49Å; A499-T502 PolarHBondContact O-N 2.8Å; H500-T502 VanDerWaalsContact C-N 3.3Å; H500-T502 PolarHBondContact O-N 3.33Å; T502-A504 VanDerWaalsContact C-N 3.32Å; T502-A504 PolarHBondContact O-N 3.07Å; T502-S505 WeakPolarHBondContact O-CB 3.47Å; T502-S505 PolarHBondContact O-N 3.27Å; T502-L506 HydrophobicContact CG2-CD1 4.37Å; T502-L506 WeakPolarHBondContact O-CG 3.47Å; T502-L506 PolarHBondContact O-N 3.11Å; T502-L506 VanDerWaalsContact O-N 3.1Å; T502-I555 HydrophobicContact CG2-CD1 4.21Å
503A98.8Very high98.5Very high0 Ų046.8 Ų46.80%027%0.269CS..Hα-helixtrans-58.4-43.6176.800000112E468 I471 A499 H500 S505 L506 V507 V552 I555E468-A503 HydrophobicContact CG-CB 4.09Å; I471-A503 HydrophobicContact CD1-CB 3.72Å; A499-A503 PolarHBondContact O-N 3.26Å; H500-A503 PolarHBondContact O-N 3.47Å; A503-S505 PolarHBondContact O-N 2.96Å; A503-L506 PolarHBondContact O-N 3.42Å; A503-V507 WeakPolarHBondContact O-CG2 3.38Å; A503-V507 PolarHBondContact O-N 2.84Å; A503-V552 HydrophobicContact CB-CG1 4.34Å; A503-V552 HydrophobicContact CB-CG2 4.24Å; A503-I555 HydrophobicContact CB-CD1 3.99Å
504A98.8Very high98.5Very high35 Ų3546.7 Ų46.729%0.28927%0.27SS..Hα-helixtrans-62.7-39.1177.200000112.8E468 H500 C501 T502 S508E468-A504 HydrophobicContact CG-CB 4.38Å; H500-A504 WeakPolarHBondContact O-CB 3.25Å; H500-A504 PolarHBondContact O-N 2.98Å; C501-A504 PolarHBondContact O-N 3.32Å; T502-A504 VanDerWaalsContact C-N 3.32Å; T502-A504 PolarHBondContact O-N 3.07Å; A504-S508 WeakPolarHBondContact O-CB 3.19Å; A504-S508 PolarHBondContact O-N 2.8Å
505S98.8Very high98.5Very high60 Ų6050.6 Ų50.642%0.4228%0.282SS..Hα-helixtrans-60.9-50.2175.2-167.70000111.3C501 T502 A503 V507 S508 E509C501-S505 PolarHBondContact O-N 3.49Å; T502-S505 WeakPolarHBondContact O-CB 3.47Å; T502-S505 PolarHBondContact O-N 3.27Å; A503-S505 PolarHBondContact O-N 2.96Å; S505-V507 VanDerWaalsContact C-N 3.35Å; S505-V507 PolarHBondContact O-N 3.46Å; S505-S508 WeakPolarHBondContact O-CA 3.24Å; S505-S508 WeakPolarHBondContact O-CB 3.44Å; S505-S508 PolarHBondContact O-N 3.26Å; S505-E509 WeakPolarHBondContact O-CG 3.28Å; S505-E509 PolarHBondContact O-N 3.24Å; S505-E509 PolarHBondContact OG-OE1 3.48Å
506L98.3Very high98.5Very high20 Ų2052.1 Ų52.111%0.10529%0.29CS..Hα-helixtrans-61.9-41.5-179.1-63.1176.6000112.1T502 A503 S508 E509 N510 H548 Q551 V552T502-L506 HydrophobicContact CG2-CD1 4.37Å; T502-L506 WeakPolarHBondContact O-CG 3.47Å; T502-L506 PolarHBondContact O-N 3.11Å; T502-L506 VanDerWaalsContact O-N 3.1Å; A503-L506 PolarHBondContact O-N 3.42Å; L506-S508 VanDerWaalsContact C-N 3.33Å; L506-S508 PolarHBondContact O-N 3.16Å; L506-E509 PolarHBondContact O-N 3.03Å; L506-N510 VanDerWaalsContact O-CG 3.3Å; L506-N510 PolarHBondContact O-N 2.76Å; L506-H548 HydrophobicContact CB-CB 4.17Å; L506-Q551 HydrophobicContact CD1-CB 3.76Å; L506-V552 HydrophobicContact CB-CG2 3.96Å; L506-V552 HydrophobicContact CD1-CG2 4.14Å
507V98.8Very high98.4Very high5 Ų552.2 Ų52.23%0.0329%0.292CS..Hα-helixtrans-63.4-39.9173.4172.90000111.1H461 A464 E468 A503 S505 N510 K511 V552H461-V507 PolarHBondContact CE1-O 3.28Å; A464-V507 HydrophobicContact CB-CG2 3.92Å; A464-V507 WeakPolarHBondContact O-CG2 3.48Å; E468-V507 HydrophobicContact CB-CG2 3.71Å; E468-V507 HydrophobicContact CG-CG2 4.13Å; A503-V507 WeakPolarHBondContact O-CG2 3.38Å; A503-V507 PolarHBondContact O-N 2.84Å; S505-V507 VanDerWaalsContact C-N 3.35Å; S505-V507 PolarHBondContact O-N 3.46Å; V507-N510 PolarHBondContact O-N 2.97Å; V507-K511 PolarHBondContact O-N 3.46Å; V507-V552 HydrophobicContact CG2-CG1 4.46Å; V507-V552 HydrophobicContact CG2-CG2 4.06Å
508S98.8Very high98.4Very high67 Ų6749.4 Ų49.447%0.46928%0.279SS..Hα-helixtrans-65-43.3177.5-170.20000112.4A504 S505 L506 N510 K511A504-S508 WeakPolarHBondContact O-CB 3.19Å; A504-S508 PolarHBondContact O-N 2.8Å; S505-S508 WeakPolarHBondContact O-CA 3.24Å; S505-S508 WeakPolarHBondContact O-CB 3.44Å; S505-S508 PolarHBondContact O-N 3.26Å; L506-S508 VanDerWaalsContact C-N 3.33Å; L506-S508 PolarHBondContact O-N 3.16Å; S508-N510 VanDerWaalsContact C-N 3.32Å; S508-N510 PolarHBondContact O-N 3.46Å; S508-K511 WeakPolarHBondContact O-CB 3.38Å; S508-K511 PolarHBondContact O-N 2.98Å
509E98.5Very high98.3Very high91 Ų9149 Ų4943%0.42528%0.282SS..Hα-helixtrans-60.5-42.3175.3-72.1175.3-141.800111.5S505 L506 K511 V512 L513 H548S505-E509 WeakPolarHBondContact O-CG 3.28Å; S505-E509 PolarHBondContact O-N 3.24Å; S505-E509 PolarHBondContact OG-OE1 3.48Å; L506-E509 PolarHBondContact O-N 3.03Å; E509-K511 PolarHBondContact O-N 3.27Å; E509-V512 PolarHBondContact O-N 3.21Å; E509-V512 VanDerWaalsContact O-N 3.1Å; E509-L513 PolarHBondContact O-N 3.47Å; E509-L513 VanDerWaalsContact O-N 3.16Å; E509-H548 IonicContact OE2-CE1 3.97Å; E509-H548 PolarHBondContact OE2-CE1 3.12Å; E509-H548 VanDerWaalsContact OE2-CE1 3.3Å; E509-H548 IonicContact OE2-NE2 3.79Å
510N98.8Very high98.3Very high0 Ų053 Ų530%030%0.302CS..Hα-helixtrans-57.5-35177.6-76-13000112.9H461 L506 V507 S508 V512 L513 C514 V545 H548H461-N510 WeakPolarHBondContact ND1-CB 3.45Å; L506-N510 VanDerWaalsContact O-CG 3.3Å; L506-N510 PolarHBondContact O-N 2.76Å; V507-N510 PolarHBondContact O-N 2.97Å; S508-N510 VanDerWaalsContact C-N 3.32Å; S508-N510 PolarHBondContact O-N 3.46Å; N510-V512 PolarHBondContact O-N 3.37Å; N510-L513 CarbonylContact O-C 3.4Å; N510-L513 PolarHBondContact O-N 2.9Å; N510-L513 VanDerWaalsContact O-N 3.08Å; N510-C514 WeakPolarHBondContact O-CB 3.49Å; N510-C514 PolarHBondContact O-N 3.37Å; N510-C514 PolarHBondContact O-SG 3.27Å; N510-V545 HydrophobicContact CB-CG2 4.45Å; N510-H548 WeakPolarHBondContact ND2-CB 3.33Å; N510-H548 WeakPolarHBondContact OD1-CB 3.49Å; N510-H548 PolarHBondContact OD1-ND1 3.19Å
511K98.3Very high98.2Very high128 Ų12853.4 Ų53.456%0.55731%0.309SS*.Hα-helixtrans-58.5-37178.7-65.7172.8-175.6175.70112.5V507 S508 E509V507-K511 PolarHBondContact O-N 3.46Å; S508-K511 WeakPolarHBondContact O-CB 3.38Å; S508-K511 PolarHBondContact O-N 2.98Å; E509-K511 PolarHBondContact O-N 3.27Å
512V98.3Very high98Very high115 Ų11555.2 Ų55.270%0.69731%0.313SS*.Hα-helixtrans-75.6-41.3175.5179.90000110.5E509 N510 C514 H515E509-V512 PolarHBondContact O-N 3.21Å; E509-V512 VanDerWaalsContact O-N 3.1Å; N510-V512 PolarHBondContact O-N 3.37Å; V512-C514 PolarHBondContact O-N 3.5Å; V512-H515 VanDerWaalsContact O-CB 3.27Å; V512-H515 WeakPolarHBondContact O-CB 3.46Å; V512-H515 PolarHBondContact O-N 3.19Å
513L98.4Very high97.8Very high29 Ų2955.6 Ų55.615%0.15232%0.318CS..Hα-helixtrans-64.2-25.8177.5-64.7171.3000113.4E509 N510 H515 W537 K541 R544 V545E509-L513 PolarHBondContact O-N 3.47Å; E509-L513 VanDerWaalsContact O-N 3.16Å; N510-L513 CarbonylContact O-C 3.4Å; N510-L513 PolarHBondContact O-N 2.9Å; N510-L513 VanDerWaalsContact O-N 3.08Å; L513-H515 PolarHBondContact O-N 3.34Å; L513-W537 HydrophobicContact CD2-CH2 4.29Å; L513-W537 HydrophobicContact CD2-CZ2 4.33Å; L513-K541 HydrophobicContact CB-CB 4.48Å; L513-K541 HydrophobicContact CD2-CB 4.11Å; L513-K541 WeakPolarHBondContact O-CD 3.36Å; L513-K541 PolarHBondContact O-NZ 3.4Å; L513-R544 HydrophobicContact CD1-CB 4.23Å; L513-R544 HydrophobicContact CD1-CG 3.62Å; L513-V545 HydrophobicContact CB-CG2 3.68Å; L513-V545 HydrophobicContact CD1-CG2 4.1Å
514C98.6Very high97.5Very high17 Ų1757.6 Ų57.612%0.11533%0.331CS..THydrogen-bonded Turntrans-72-10.3174-69.90000113.4S457 I458 H461 N510 V512S457-C514 PolarHBondContact O-SG 3.37Å; S457-C514 VanDerWaalsContact O-SG 3.38Å; I458-C514 HydrophobicContact CG1-CB 4.26Å; H461-C514 WeakPolarHBondContact CB-SG 3.28Å; N510-C514 WeakPolarHBondContact O-CB 3.49Å; N510-C514 PolarHBondContact O-N 3.37Å; N510-C514 PolarHBondContact O-SG 3.27Å; V512-C514 PolarHBondContact O-N 3.5Å
515H98.4Very high97Very high135 Ų13559 Ų5963%0.62534%0.338SS*.SBendtrans-59.9124.4170.6-172.478.1000109.3V512 L513 S517 K541V512-H515 VanDerWaalsContact O-CB 3.27Å; V512-H515 WeakPolarHBondContact O-CB 3.46Å; V512-H515 PolarHBondContact O-N 3.19Å; L513-H515 PolarHBondContact O-N 3.34Å; H515-S517 PolarHBondContact O-N 3.11Å; H515-K541 PolarHBondContact O-NZ 3.25Å
516P98.1Very high96.6Very high39 Ų3959.5 Ų59.525%0.25335%0.346SS..  trans-66.5130.2-173.925.5-32.7000110.2D454 V519D454-P516 HydrophobicContact CB-CB 4.19Å; D454-P516 VanDerWaalsContact CG-CA 3.48Å; D454-P516 WeakPolarHBondContact OD1-CA 3.25Å; D454-P516 VanDerWaalsContact OD2-CA 3.3Å; D454-P516 WeakPolarHBondContact OD2-CA 3.46Å; D454-P516 VanDerWaalsContact OD2-CB 3.29Å; D454-P516 WeakPolarHBondContact OD2-CB 3.39Å; P516-V519 HydrophobicContact CB-CG1 4.12Å; P516-V519 HydrophobicContact CB-CG2 4.26Å; P516-V519 HydrophobicContact CG-CG1 4.05Å; P516-V519 HydrophobicContact CG-CG2 3.87Å; P516-V519 WeakPolarHBondContact O-CG2 3.41Å
517S96.2Very high96.2Very high9 Ų961.6 Ų61.66%0.06337%0.367CS..SBendtrans-88.2-23.8173.4570000111.9D454 H515 V519 D520 M534 W537 A538 K541D454-S517 PolarHBondContact OD1-N 3.24Å; D454-S517 PolarHBondContact OD2-N 3.13Å; H515-S517 PolarHBondContact O-N 3.11Å; S517-V519 PolarHBondContact O-N 3.43Å; S517-V519 VanDerWaalsContact O-N 3.12Å; S517-D520 PolarHBondContact O-N 2.93Å; S517-D520 VanDerWaalsContact O-N 3.07Å; S517-M534 WeakPolarHBondContact O-CB 3.27Å; S517-W537 VanDerWaalsContact CB-CD1 3.44Å; S517-A538 VanDerWaalsContact OG-CA 3.23Å; S517-A538 WeakPolarHBondContact OG-CA 3.48Å; S517-A538 VanDerWaalsContact OG-CB 3.25Å; S517-A538 WeakPolarHBondContact OG-CB 3.39Å; S517-A538 PolarHBondContact OG-N 3.46Å; S517-A538 VanDerWaalsContact OG-N 3.13Å; S517-K541 WeakPolarHBondContact OG-CE 3.47Å
518S97.5Very high95.6Very high8 Ų864.8 Ų64.86%0.05639%0.386CS..THydrogen-bonded Turntrans-72317967.80000114.9K451 D454 S533K451-S518 PolarHBondContact NZ-O 3.17Å; D454-S518 WeakPolarHBondContact OD2-CB 3.33Å; D454-S518 PolarHBondContact OD2-N 3.31Å; D454-S518 PolarHBondContact OD2-OG 2.82Å; S518-S533 WeakPolarHBondContact CA-O 3.43Å
519V97.4Very high95.3Very high102 Ų10263.2 Ų63.262%0.61837%0.372SS*.THydrogen-bonded Turntrans-100.1-6.4170.6-57.20000112.1P516 S517P516-V519 HydrophobicContact CB-CG1 4.12Å; P516-V519 HydrophobicContact CB-CG2 4.26Å; P516-V519 HydrophobicContact CG-CG1 4.05Å; P516-V519 HydrophobicContact CG-CG2 3.87Å; P516-V519 WeakPolarHBondContact O-CG2 3.41Å; S517-V519 PolarHBondContact O-N 3.43Å; S517-V519 VanDerWaalsContact O-N 3.12Å
520D97Very high95.1Very high86 Ų8664.6 Ų64.646%0.4638%0.382SS..  trans-95.7148.5175.3-172.428.3000110.9S517 M534S517-D520 PolarHBondContact O-N 2.93Å; S517-D520 VanDerWaalsContact O-N 3.07Å; D520-M534 HydrophobicContact CB-CG 4.36Å; D520-M534 WeakPolarHBondContact O-CG 3.39Å
521S96.8Very high95Very high41 Ų4169.3 Ų69.329%0.28740%0.404SS..  trans-159.2130-179.8-1450000110.5V532S521-V532 WeakPolarHBondContact OG-CG2 3.38Å; S521-V532 PolarHBondContact OG-N 2.7Å; S521-V532 PolarHBondContact OG-O 2.93Å
522L95.3Very high95Very high109 Ų10963.3 Ų63.357%0.57138%0.377SS*.  trans-126.4130.2177.3-65.3174.6000109.2T524 M534L522-T524 PolarHBondContact O-N 3.32Å; L522-M534 HydrophobicContact CB-CE 4.05Å; L522-M534 HydrophobicContact CD1-CE 4.32Å; L522-M534 HydrophobicContact CG-CE 4.07Å
523S94.3Very high94.9Very high71 Ų7157.8 Ų57.850%0.49734%0.344SS..  trans-68.2124.8179.5-1780000111.3A527 E529S523-A527 VanDerWaalsContact OG-CA 3.27Å; S523-A527 WeakPolarHBondContact OG-CA 3.47Å; S523-E529 CarbonylContact C-O 3.58Å; S523-E529 VanDerWaalsContact CA-O 3.31Å; S523-E529 WeakPolarHBondContact CA-O 3.27Å
524T92.3Very high94.9Very high42 Ų4257.7 Ų57.726%0.25834%0.343SS..BIsolated β-bridgetrans-117.5174.9178.654.10000111.5L522 A526 A527 T528 E529L522-T524 PolarHBondContact O-N 3.32Å; T524-A526 VanDerWaalsContact C-N 3.27Å; T524-A526 PolarHBondContact O-N 3.07Å; T524-A526 VanDerWaalsContact O-N 3.15Å; T524-A527 PolarHBondContact O-N 3.4Å; T524-T528 PolarHBondContact O-N 3.19Å; T524-E529 PolarHBondContact N-O 3.11Å; T524-E529 PolarHBondContact O-N 3.01Å; T524-E529 WeakPolarHBondContact OG1-CB 3.37Å; T524-E529 PolarHBondContact OG1-OE2 3.5Å
525S89Confident94.8Very high64 Ų6456.9 Ų56.945%0.44834%0.338SS..G310 helixtrans5640.8173-59.90000113.5A527 T528 E529S525-A527 PolarHBondContact O-N 3.29Å; S525-T528 WeakPolarHBondContact O-CB 3.36Å; S525-T528 PolarHBondContact O-N 3.37Å; S525-T528 PolarHBondContact O-OG1 3.12Å; S525-E529 WeakPolarHBondContact CB-OE2 3.34Å; S525-E529 PolarHBondContact OG-OE2 2.81Å
526A89.8Confident94.8Very high71 Ų7150.6 Ų50.659%0.58731%0.309SS*.G310 helixtrans51.450-176.100000113.2K172 T524 T528K172-A526 HydrophobicContact CD-CB 3.91Å; T524-A526 VanDerWaalsContact C-N 3.27Å; T524-A526 PolarHBondContact O-N 3.07Å; T524-A526 VanDerWaalsContact O-N 3.15Å; A526-T528 VanDerWaalsContact C-N 3.27Å; A526-T528 PolarHBondContact O-N 3.08Å
527A89.4Confident94.7Very high65 Ų6554.4 Ų54.454%0.53732%0.319SS..G310 helixtrans65.321.1-179.900000115.8S523 T524 S525S523-A527 VanDerWaalsContact OG-CA 3.27Å; S523-A527 WeakPolarHBondContact OG-CA 3.47Å; T524-A527 PolarHBondContact O-N 3.4Å; S525-A527 PolarHBondContact O-N 3.29Å
528T87.4Confident94.8Very high71 Ų7154 Ų5444%0.43632%0.316SS..THydrogen-bonded Turntrans-80.9-36.1166.6-51.80000110.9T524 S525 A526T524-T528 PolarHBondContact O-N 3.19Å; S525-T528 WeakPolarHBondContact O-CB 3.36Å; S525-T528 PolarHBondContact O-N 3.37Å; S525-T528 PolarHBondContact O-OG1 3.12Å; A526-T528 VanDerWaalsContact C-N 3.27Å; A526-T528 PolarHBondContact O-N 3.08Å
529E92.1Very high94.9Very high35 Ų3553.6 Ų53.616%0.16431%0.313CS..BIsolated β-bridgetrans-103.978.8172.6-68.2170.7157.600106.7S254 S523 T524 S525S254-E529 WeakPolarHBondContact CB-OE1 3.39Å; S523-E529 CarbonylContact C-O 3.58Å; S523-E529 VanDerWaalsContact CA-O 3.31Å; S523-E529 WeakPolarHBondContact CA-O 3.27Å; T524-E529 PolarHBondContact N-O 3.11Å; T524-E529 PolarHBondContact O-N 3.01Å; T524-E529 WeakPolarHBondContact OG1-CB 3.37Å; T524-E529 PolarHBondContact OG1-OE2 3.5Å; S525-E529 WeakPolarHBondContact CB-OE2 3.34Å; S525-E529 PolarHBondContact OG-OE2 2.81Å
530D94.3Very high94.9Very high119 Ų11950.9 Ų50.964%0.63629%0.292SS*.  trans-88.3-13-173.760-10.1000113.8
531H96.7Very high94.9Very high100 Ų10046.9 Ų46.946%0.46327%0.27SS..  trans-138.7133.6170.8-172.5-79000110.6H445 E447H445-H531 AromaticContact CE1-CE1 3.93Å; H445-H531 AromaticContact CE1-ND1 3.56Å; H445-H531 AromaticContact NE2-CE1 3.88Å; H445-H531 AromaticContact NE2-ND1 3.07Å; H445-H531 PolarHBondContact NE2-ND1 2.83Å; H445-H531 PolarHBondContact NE2-O 3.27Å; E447-H531 IonicContact OE2-CE1 3.8Å
532V97.1Very high95Very high1 Ų145 Ų451%0.00626%0.257CS..  trans-137.7155.7-175.6-48.60000110.3V251 A253 S521 M534V251-V532 HydrophobicContact CB-CB 4.09Å; V251-V532 HydrophobicContact CB-CG1 4.32Å; V251-V532 HydrophobicContact CB-CG2 4.13Å; V251-V532 HydrophobicContact CG2-CB 4.2Å; V251-V532 HydrophobicContact CG2-CG1 3.99Å; A253-V532 HydrophobicContact CB-CB 3.55Å; A253-V532 HydrophobicContact CB-CG1 3.27Å; S521-V532 WeakPolarHBondContact OG-CG2 3.38Å; S521-V532 PolarHBondContact OG-N 2.7Å; S521-V532 PolarHBondContact OG-O 2.93Å; V532-M534 HydrophobicContact CG2-CE 3.53Å; V532-M534 HydrophobicContact CG2-CG 4.21Å; V532-M534 HydrophobicContact CG2-SD 3.81Å
533S97.3Very high95.1Very high0 Ų040 Ų400%023%0.231CC..  trans-91.9-17.3-174.7660000115.4V251 G252 E447 S518 G535V251-S533 PolarHBondContact O-N 3.32Å; G252-S533 WeakPolarHBondContact CA-OG 3.43Å; G252-S533 PolarHBondContact O-OG 3.19Å; E447-S533 WeakPolarHBondContact OE2-CA 3.35Å; E447-S533 VanDerWaalsContact OE2-CB 3.23Å; E447-S533 WeakPolarHBondContact OE2-CB 3.49Å; S518-S533 WeakPolarHBondContact CA-O 3.43Å; S533-G535 PolarHBondContact O-N 3.44Å; S533-G535 PolarHBondContact OG-N 2.97Å
534M97.8Very high95.3Very high26 Ų2642.8 Ų42.813%0.12823%0.231CC..  trans52.424.9-169.1-56.7-57.9-170.700113.9V251 S517 D520 L522 V532 G536 W537 A538V251-M534 HydrophobicContact CB-SD 4.18Å; V251-M534 HydrophobicContact CG1-SD 4.22Å; V251-M534 WeakPolarHBondContact O-CA 3.15Å; V251-M534 PolarHBondContact O-N 2.89Å; S517-M534 WeakPolarHBondContact O-CB 3.27Å; D520-M534 HydrophobicContact CB-CG 4.36Å; D520-M534 WeakPolarHBondContact O-CG 3.39Å; L522-M534 HydrophobicContact CB-CE 4.05Å; L522-M534 HydrophobicContact CD1-CE 4.32Å; L522-M534 HydrophobicContact CG-CE 4.07Å; V532-M534 HydrophobicContact CG2-CE 3.53Å; V532-M534 HydrophobicContact CG2-CG 4.21Å; V532-M534 HydrophobicContact CG2-SD 3.81Å; M534-G536 VanDerWaalsContact C-N 3.26Å; M534-G536 PolarHBondContact O-N 3.33Å; M534-W537 PolarHBondContact O-N 3.41Å; M534-W537 VanDerWaalsContact O-N 3.07Å; M534-A538 PolarHBondContact O-N 2.92Å
535G97.4Very high95.7Very high0 Ų040.8 Ų40.80%022%0.218CC..Hα-helixtrans-63-27.2-172.100000114.7A450 S533 W537 A538 A539A450-G535 VanDerWaalsContact CB-CA 3.48Å; S533-G535 PolarHBondContact O-N 3.44Å; S533-G535 PolarHBondContact OG-N 2.97Å; G535-W537 VanDerWaalsContact C-N 3.28Å; G535-W537 PolarHBondContact O-N 3.22Å; G535-A538 WeakPolarHBondContact O-CB 3.48Å; G535-A538 PolarHBondContact O-N 2.93Å; G535-A538 VanDerWaalsContact O-N 3.14Å; G535-A539 PolarHBondContact O-N 3.36Å
536G96.8Very high96.1Very high3 Ų337.9 Ų37.93%0.03120%0.198CC..Hα-helixtrans-67.6-28.3176.800000113.3M534 R540M534-G536 VanDerWaalsContact C-N 3.26Å; M534-G536 PolarHBondContact O-N 3.33Å; G536-R540 WeakPolarHBondContact O-CG 3.49Å; G536-R540 PolarHBondContact O-N 2.75Å; G536-R540 PolarHBondContact O-NE 3.49Å
537W97.6Very high96.5Very high119 Ų11936.3 Ų36.345%0.45118%0.178SC..Hα-helixtrans-76.5-39169.1-178.6-136.8000111.3L513 S517 M534 G535 A539 R540 K541L513-W537 HydrophobicContact CD2-CH2 4.29Å; L513-W537 HydrophobicContact CD2-CZ2 4.33Å; S517-W537 VanDerWaalsContact CB-CD1 3.44Å; M534-W537 PolarHBondContact O-N 3.41Å; M534-W537 VanDerWaalsContact O-N 3.07Å; G535-W537 VanDerWaalsContact C-N 3.28Å; G535-W537 PolarHBondContact O-N 3.22Å; W537-A539 VanDerWaalsContact C-N 3.3Å; W537-A539 PolarHBondContact O-N 3.03Å; W537-R540 HydrophobicContact CE3-CB 4.15Å; W537-R540 HydrophobicContact CZ3-CB 4.33Å; W537-R540 PolarHBondContact O-N 3.4Å; W537-K541 HydrophobicContact CH2-CB 4.37Å; W537-K541 HydrophobicContact CZ2-CB 4.32Å; W537-K541 WeakPolarHBondContact O-CG 3.32Å; W537-K541 PolarHBondContact O-N 3.24Å
538A98.5Very high97Very high0 Ų033.4 Ų33.40%015%0.153CC..Hα-helixtrans-55.6-44175.300000112.3A450 L453 S517 M534 G535 K541 A542A450-A538 HydrophobicContact CB-CB 4.43Å; L453-A538 HydrophobicContact CB-CB 4.14Å; S517-A538 VanDerWaalsContact OG-CA 3.23Å; S517-A538 WeakPolarHBondContact OG-CA 3.48Å; S517-A538 VanDerWaalsContact OG-CB 3.25Å; S517-A538 WeakPolarHBondContact OG-CB 3.39Å; S517-A538 PolarHBondContact OG-N 3.46Å; S517-A538 VanDerWaalsContact OG-N 3.13Å; M534-A538 PolarHBondContact O-N 2.92Å; G535-A538 WeakPolarHBondContact O-CB 3.48Å; G535-A538 PolarHBondContact O-N 2.93Å; G535-A538 VanDerWaalsContact O-N 3.14Å; A538-K541 WeakPolarHBondContact O-CG 3.36Å; A538-A542 VanDerWaalsContact O-CB 3.3Å; A538-A542 WeakPolarHBondContact O-CB 3.39Å; A538-A542 PolarHBondContact O-N 2.86Å; A538-A542 VanDerWaalsContact O-N 3.07Å
539A98.4Very high97.5Very high0 Ų030 Ų300%013%0.133CC..Hα-helixtrans-69-43.6-179.700000112.8I312 L315 L453 G535 W537 A542 L543I312-A539 HydrophobicContact CG2-CB 4.32Å; L315-A539 HydrophobicContact CB-CB 3.73Å; L315-A539 HydrophobicContact CD1-CB 4.22Å; L453-A539 HydrophobicContact CD1-CB 3.56Å; G535-A539 PolarHBondContact O-N 3.36Å; W537-A539 VanDerWaalsContact C-N 3.3Å; W537-A539 PolarHBondContact O-N 3.03Å; A539-A542 PolarHBondContact O-N 2.69Å; A539-L543 PolarHBondContact O-N 3.49Å; A539-L543 VanDerWaalsContact O-N 3.11Å
540R97.8Very high97.9Very high46 Ų4628.7 Ų28.717%0.17413%0.126CC..Hα-helixtrans-66.6-41.6179.9-72.1-172.6-61.8137.93.3112.3E247 L315 G536 W537 L543 R544E247-R540 WeakPolarHBondContact O-CD 3.2Å; E247-R540 PolarHBondContact O-NE 3.23Å; E247-R540 IonicContact OE1-NH1 2.76Å; E247-R540 PolarHBondContact OE1-NH1 2.87Å; L315-R540 HydrophobicContact CD1-CG 3.67Å; G536-R540 WeakPolarHBondContact O-CG 3.49Å; G536-R540 PolarHBondContact O-N 2.75Å; G536-R540 PolarHBondContact O-NE 3.49Å; W537-R540 HydrophobicContact CE3-CB 4.15Å; W537-R540 HydrophobicContact CZ3-CB 4.33Å; W537-R540 PolarHBondContact O-N 3.4Å; R540-L543 PolarHBondContact O-N 3.45Å; R540-R544 PolarHBondContact O-N 2.89Å; R540-R544 VanDerWaalsContact O-N 3.1Å
541K97.8Very high98.1Very high2 Ų226 Ų261%0.00911%0.11CC..Hα-helixtrans-69.6-36176.775.5-164.5-173.989.20112D454 L513 H515 S517 W537 A538 L543 R544 V545D454-K541 WeakPolarHBondContact OD1-CE 3.35Å; D454-K541 IonicContact OD1-NZ 3.69Å; D454-K541 PolarHBondContact OD1-NZ 2.98Å; L513-K541 HydrophobicContact CB-CB 4.48Å; L513-K541 HydrophobicContact CD2-CB 4.11Å; L513-K541 WeakPolarHBondContact O-CD 3.36Å; L513-K541 PolarHBondContact O-NZ 3.4Å; H515-K541 PolarHBondContact O-NZ 3.25Å; S517-K541 WeakPolarHBondContact OG-CE 3.47Å; W537-K541 HydrophobicContact CH2-CB 4.37Å; W537-K541 HydrophobicContact CZ2-CB 4.32Å; W537-K541 WeakPolarHBondContact O-CG 3.32Å; W537-K541 PolarHBondContact O-N 3.24Å; A538-K541 WeakPolarHBondContact O-CG 3.36Å; K541-L543 PolarHBondContact O-N 3.25Å; K541-R544 PolarHBondContact O-N 2.92Å; K541-V545 WeakPolarHBondContact O-CG2 3.33Å; K541-V545 PolarHBondContact O-N 3.01Å
542A98.8Very high98.2Very high0 Ų021.2 Ų21.20%09%0.088CC..Hα-helixtrans-59.6-46.4173.900000111.8A319 L453 L456 S457 A538 A539 R544 V545 V546A319-A542 HydrophobicContact CB-CB 4.33Å; L453-A542 HydrophobicContact CB-CB 4.23Å; L453-A542 HydrophobicContact CD2-CB 4.18Å; L456-A542 HydrophobicContact CD2-CB 4.48Å; S457-A542 VanDerWaalsContact OG-CA 3.24Å; S457-A542 WeakPolarHBondContact OG-CA 3.36Å; S457-A542 WeakPolarHBondContact OG-CB 3.28Å; A538-A542 VanDerWaalsContact O-CB 3.3Å; A538-A542 WeakPolarHBondContact O-CB 3.39Å; A538-A542 PolarHBondContact O-N 2.86Å; A538-A542 VanDerWaalsContact O-N 3.07Å; A539-A542 PolarHBondContact O-N 2.69Å; A542-R544 VanDerWaalsContact C-N 3.35Å; A542-R544 PolarHBondContact O-N 3.34Å; A542-V545 PolarHBondContact O-N 3.25Å; A542-V546 WeakPolarHBondContact O-CG2 3.39Å; A542-V546 PolarHBondContact O-N 2.86Å
543L97.8Very high98.3Very high4 Ų421.2 Ų21.22%0.0219%0.088CC..Hα-helixtrans-58.9-44.8174.2-79169.6000112.5L315 E318 A319 A539 R540 K541 V545 V546 E547L315-L543 HydrophobicContact CB-CD1 3.71Å; L315-L543 HydrophobicContact CD1-CD1 4.12Å; L315-L543 HydrophobicContact CD2-CD1 3.74Å; L315-L543 HydrophobicContact CG-CD1 4.05Å; E318-L543 HydrophobicContact CB-CD2 4.01Å; E318-L543 HydrophobicContact CG-CD2 3.82Å; A319-L543 HydrophobicContact CB-CD2 3.75Å; A319-L543 HydrophobicContact CB-CG 3.98Å; A539-L543 PolarHBondContact O-N 3.49Å; A539-L543 VanDerWaalsContact O-N 3.11Å; R540-L543 PolarHBondContact O-N 3.45Å; K541-L543 PolarHBondContact O-N 3.25Å; L543-V545 PolarHBondContact O-N 3.03Å; L543-V546 PolarHBondContact O-N 3.46Å; L543-E547 WeakPolarHBondContact O-CG 3.35Å; L543-E547 PolarHBondContact O-N 2.92Å
544R98.4Very high98.3Very high131 Ų13121.2 Ų21.249%0.4949%0.088SC..Hα-helixtrans-62.8-41.1178.4-177.854.656.2140.43.6112.4L513 R540 K541 A542 V546 E547 H548L513-R544 HydrophobicContact CD1-CB 4.23Å; L513-R544 HydrophobicContact CD1-CG 3.62Å; R540-R544 PolarHBondContact O-N 2.89Å; R540-R544 VanDerWaalsContact O-N 3.1Å; K541-R544 PolarHBondContact O-N 2.92Å; A542-R544 VanDerWaalsContact C-N 3.35Å; A542-R544 PolarHBondContact O-N 3.34Å; R544-V546 VanDerWaalsContact C-N 3.34Å; R544-E547 IonicContact CZ-OE2 3.71Å; R544-E547 IonicContact NE-OE2 3.38Å; R544-E547 PolarHBondContact NE-OE2 3.38Å; R544-E547 VanDerWaalsContact NE-OE2 3.14Å; R544-E547 IonicContact NH2-OE2 2.68Å; R544-E547 WeakPolarHBondContact O-CB 3.17Å; R544-E547 PolarHBondContact O-N 3.31Å; R544-H548 WeakPolarHBondContact CD-NE2 3.49Å; R544-H548 PolarHBondContact O-N 2.73Å
545V98.9Very high98.4Very high0 Ų020 Ų200%08%0.082CC..Hα-helixtrans-62.7-43.1175.71700000110.9H461 N510 L513 K541 A542 L543 H548 V549H461-V545 HydrophobicContact CB-CG1 4.06Å; N510-V545 HydrophobicContact CB-CG2 4.45Å; L513-V545 HydrophobicContact CB-CG2 3.68Å; L513-V545 HydrophobicContact CD1-CG2 4.1Å; K541-V545 WeakPolarHBondContact O-CG2 3.33Å; K541-V545 PolarHBondContact O-N 3.01Å; A542-V545 PolarHBondContact O-N 3.25Å; L543-V545 PolarHBondContact O-N 3.03Å; V545-H548 PolarHBondContact O-N 3.1Å; V545-V549 HydrophobicContact CG1-CG2 4.36Å; V545-V549 WeakPolarHBondContact O-CG2 3.46Å; V545-V549 PolarHBondContact O-N 3.32Å
546V98.9Very high98.5Very high2 Ų220 Ų201%0.0128%0.082CC..Hα-helixtrans-61.9-44.3175.8175.40000111.1R322 A323 V460 A542 L543 R544 H548 V549 E550R322-V546 HydrophobicContact CB-CG1 3.6Å; A323-V546 HydrophobicContact CB-CG2 4.05Å; V460-V546 HydrophobicContact CG1-CG2 4.08Å; A542-V546 WeakPolarHBondContact O-CG2 3.39Å; A542-V546 PolarHBondContact O-N 2.86Å; L543-V546 PolarHBondContact O-N 3.46Å; R544-V546 VanDerWaalsContact C-N 3.34Å; V546-H548 PolarHBondContact O-N 3.15Å; V546-V549 PolarHBondContact O-N 3.02Å; V546-V549 VanDerWaalsContact O-N 3.14Å; V546-E550 WeakPolarHBondContact O-CG 3.48Å; V546-E550 PolarHBondContact O-N 3.5Å
547E98.4Very high98.6Very high38 Ų3819.9 Ų19.918%0.1788%0.081CC..Hα-helixtrans-55.8-48.1174.8-76.3162.2-173.500111.9R206 R322 L543 R544 V549 E550 Q551R206-E547 IonicContact NH2-OE1 2.69Å; R322-E547 IonicContact NH1-OE1 3.65Å; R322-E547 PolarHBondContact NH1-OE1 3.38Å; L543-E547 WeakPolarHBondContact O-CG 3.35Å; L543-E547 PolarHBondContact O-N 2.92Å; R544-E547 IonicContact CZ-OE2 3.71Å; R544-E547 IonicContact NE-OE2 3.38Å; R544-E547 PolarHBondContact NE-OE2 3.38Å; R544-E547 VanDerWaalsContact NE-OE2 3.14Å; R544-E547 IonicContact NH2-OE2 2.68Å; R544-E547 WeakPolarHBondContact O-CB 3.17Å; R544-E547 PolarHBondContact O-N 3.31Å; E547-V549 VanDerWaalsContact C-N 3.32Å; E547-V549 PolarHBondContact O-N 2.95Å; E547-E550 PolarHBondContact O-N 3.1Å; E547-Q551 WeakPolarHBondContact O-CG 3.44Å; E547-Q551 PolarHBondContact O-N 2.99Å; E547-Q551 VanDerWaalsContact O-N 3.12Å
548H98.8Very high98.6Very high4 Ų414.5 Ų14.52%0.0196%0.061CC..Hα-helixtrans-62.9-38176.8-70.8179.9000112.3L506 E509 N510 R544 V545 V546 Q551 V552L506-H548 HydrophobicContact CB-CB 4.17Å; E509-H548 IonicContact OE2-CE1 3.97Å; E509-H548 PolarHBondContact OE2-CE1 3.12Å; E509-H548 VanDerWaalsContact OE2-CE1 3.3Å; E509-H548 IonicContact OE2-NE2 3.79Å; N510-H548 WeakPolarHBondContact ND2-CB 3.33Å; N510-H548 WeakPolarHBondContact OD1-CB 3.49Å; N510-H548 PolarHBondContact OD1-ND1 3.19Å; R544-H548 WeakPolarHBondContact CD-NE2 3.49Å; R544-H548 PolarHBondContact O-N 2.73Å; V545-H548 PolarHBondContact O-N 3.1Å; V546-H548 PolarHBondContact O-N 3.15Å; H548-Q551 PolarHBondContact O-N 2.99Å; H548-V552 VanDerWaalsContact O-CG2 3.26Å; H548-V552 WeakPolarHBondContact O-CG2 3.19Å; H548-V552 PolarHBondContact O-N 2.94Å
549V98.9Very high98.6Very high0 Ų014.5 Ų14.50%06%0.061CC..Hα-helixtrans-65.3-42.71781700000111.6I326 V460 L463 A464 V545 V546 E547 Q551 V552 L553I326-V549 HydrophobicContact CG1-CG1 4.2Å; I326-V549 HydrophobicContact CG2-CG1 4.23Å; V460-V549 HydrophobicContact CG1-CB 4.36Å; V460-V549 HydrophobicContact CG1-CG1 4.29Å; V460-V549 HydrophobicContact CG1-CG2 4Å; V460-V549 WeakPolarHBondContact O-CG2 3.45Å; L463-V549 HydrophobicContact CB-CG1 3.93Å; L463-V549 HydrophobicContact CD1-CG1 4.47Å; A464-V549 HydrophobicContact CB-CB 4.19Å; A464-V549 HydrophobicContact CB-CG1 4.49Å; A464-V549 HydrophobicContact CB-CG2 3.57Å; V545-V549 HydrophobicContact CG1-CG2 4.36Å; V545-V549 WeakPolarHBondContact O-CG2 3.46Å; V545-V549 PolarHBondContact O-N 3.32Å; V546-V549 PolarHBondContact O-N 3.02Å; V546-V549 VanDerWaalsContact O-N 3.14Å; E547-V549 VanDerWaalsContact C-N 3.32Å; E547-V549 PolarHBondContact O-N 2.95Å; V549-Q551 VanDerWaalsContact C-N 3.33Å; V549-Q551 PolarHBondContact O-N 3.42Å; V549-V552 PolarHBondContact O-N 3.18Å; V549-L553 HydrophobicContact CG1-CD1 3.87Å; V549-L553 WeakPolarHBondContact O-CB 3.43Å; V549-L553 WeakPolarHBondContact O-CG 3.47Å; V549-L553 PolarHBondContact O-N 3.33Å
550E98.8Very high98.7Very high7 Ų714.5 Ų14.53%0.0336%0.061CC..Hα-helixtrans-60.5-42.4174.7-64.9163.2172.600111.9R322 I326 V546 E547 A554 H604 L608R322-E550 IonicContact CZ-OE1 3.18Å; R322-E550 IonicContact CZ-OE2 3.87Å; R322-E550 IonicContact NE-OE1 2.75Å; R322-E550 PolarHBondContact NE-OE1 3.09Å; R322-E550 IonicContact NE-OE2 2.94Å; R322-E550 VanDerWaalsContact NH2-CD 3.3Å; R322-E550 IonicContact NH2-OE1 2.78Å; R322-E550 PolarHBondContact NH2-OE1 3.26Å; R322-E550 VanDerWaalsContact NH2-OE1 3.16Å; R322-E550 IonicContact NH2-OE2 3.23Å; R322-E550 PolarHBondContact NH2-OE2 3.29Å; I326-E550 HydrophobicContact CB-CG 4.05Å; I326-E550 HydrophobicContact CD1-CB 4.26Å; I326-E550 HydrophobicContact CD1-CG 3.97Å; I326-E550 HydrophobicContact CG1-CB 4.37Å; I326-E550 HydrophobicContact CG1-CG 3.78Å; V546-E550 WeakPolarHBondContact O-CG 3.48Å; V546-E550 PolarHBondContact O-N 3.5Å; E547-E550 PolarHBondContact O-N 3.1Å; E550-A554 PolarHBondContact O-N 3.03Å; E550-H604 VanDerWaalsContact CB-NE2 3.34Å; E550-H604 WeakPolarHBondContact CB-NE2 3.31Å; E550-H604 IonicContact OE2-NE2 2.87Å; E550-H604 PolarHBondContact OE2-NE2 3.3Å; E550-L608 WeakPolarHBondContact OE2-CD2 3.26Å
551Q98.8Very high98.7Very high63 Ų6312.3 Ų12.329%0.2945%0.052SC..Hα-helixtrans-67.9-42.5179-71171.6-26.800112.6L506 E547 H548 V549 A554 I555L506-Q551 HydrophobicContact CD1-CB 3.76Å; E547-Q551 WeakPolarHBondContact O-CG 3.44Å; E547-Q551 PolarHBondContact O-N 2.99Å; E547-Q551 VanDerWaalsContact O-N 3.12Å; H548-Q551 PolarHBondContact O-N 2.99Å; V549-Q551 VanDerWaalsContact C-N 3.33Å; V549-Q551 PolarHBondContact O-N 3.42Å; Q551-A554 WeakPolarHBondContact O-CB 3.25Å; Q551-A554 PolarHBondContact O-N 3.46Å; Q551-I555 WeakPolarHBondContact O-CG1 3.07Å; Q551-I555 PolarHBondContact O-N 3.07Å; Q551-I555 VanDerWaalsContact O-N 3.15Å
552V98.9Very high98.8Very high0 Ų012.5 Ų12.50%05%0.053CC..Hα-helixtrans-62.8-44.4176.2170.90000110.6A464 E468 I471 A503 L506 V507 H548 V549 A554 I555 E556A464-V552 HydrophobicContact CB-CB 4.11Å; A464-V552 HydrophobicContact CB-CG1 4.13Å; A464-V552 HydrophobicContact CB-CG2 4.23Å; E468-V552 HydrophobicContact CB-CG1 4.18Å; I471-V552 HydrophobicContact CD1-CG1 4.19Å; A503-V552 HydrophobicContact CB-CG1 4.34Å; A503-V552 HydrophobicContact CB-CG2 4.24Å; L506-V552 HydrophobicContact CB-CG2 3.96Å; L506-V552 HydrophobicContact CD1-CG2 4.14Å; V507-V552 HydrophobicContact CG2-CG1 4.46Å; V507-V552 HydrophobicContact CG2-CG2 4.06Å; H548-V552 VanDerWaalsContact O-CG2 3.26Å; H548-V552 WeakPolarHBondContact O-CG2 3.19Å; H548-V552 PolarHBondContact O-N 2.94Å; V549-V552 PolarHBondContact O-N 3.18Å; V552-A554 VanDerWaalsContact C-N 3.3Å; V552-A554 PolarHBondContact O-N 3.02Å; V552-I555 PolarHBondContact O-N 3.19Å; V552-E556 PolarHBondContact O-N 3.02Å
553L98.9Very high98.7Very high0 Ų012.5 Ų12.50%05%0.053CC..Hα-helixtrans-66.4-30.6176.6-75.8165.6000112.9I326 A330 V333 V549 I555 E556 L557 L607I326-L553 HydrophobicContact CD1-CB 4.33Å; I326-L553 HydrophobicContact CD1-CD1 3.67Å; I326-L553 HydrophobicContact CG1-CD1 3.45Å; I326-L553 VanDerWaalsContact CG1-CD1 3.45Å; A330-L553 HydrophobicContact CB-CD1 3.72Å; A330-L553 HydrophobicContact CB-CD2 3.96Å; V333-L553 HydrophobicContact CB-CD2 4.26Å; V333-L553 HydrophobicContact CG1-CD2 4.16Å; V549-L553 HydrophobicContact CG1-CD1 3.87Å; V549-L553 WeakPolarHBondContact O-CB 3.43Å; V549-L553 WeakPolarHBondContact O-CG 3.47Å; V549-L553 PolarHBondContact O-N 3.33Å; L553-I555 VanDerWaalsContact C-N 3.34Å; L553-E556 PolarHBondContact O-N 2.9Å; L553-L557 VanDerWaalsContact O-CB 3.31Å; L553-L557 WeakPolarHBondContact O-CB 3.44Å; L553-L557 PolarHBondContact O-N 2.74Å; L553-L607 HydrophobicContact CB-CD1 4.14Å
554A98.9Very high98.8Very high0 Ų012.3 Ų12.30%05%0.052CC..Hα-helixtrans-63.4-41.6172.200000111.7E550 Q551 V552 L557 L558 V603 H604 L607E550-A554 PolarHBondContact O-N 3.03Å; Q551-A554 WeakPolarHBondContact O-CB 3.25Å; Q551-A554 PolarHBondContact O-N 3.46Å; V552-A554 VanDerWaalsContact C-N 3.3Å; V552-A554 PolarHBondContact O-N 3.02Å; A554-L557 PolarHBondContact O-N 3.43Å; A554-L558 WeakPolarHBondContact O-CG 3.46Å; A554-L558 PolarHBondContact O-N 2.8Å; A554-V603 HydrophobicContact CB-CB 4.47Å; A554-V603 HydrophobicContact CB-CG1 4.13Å; A554-H604 HydrophobicContact CB-CB 3.92Å; A554-L607 HydrophobicContact CB-CD1 3.9Å
555I98.9Very high98.8Very high2 Ų28.3 Ų8.31%0.014%0.039CC..Hα-helixtrans-66.4-43.3176.2-63164.9000110.4I471 A499 T502 A503 Q551 V552 L553 L558 A559 I600I471-I555 HydrophobicContact CD1-CB 4.05Å; I471-I555 HydrophobicContact CD1-CG2 3.83Å; I471-I555 HydrophobicContact CG2-CG2 4.43Å; A499-I555 HydrophobicContact CB-CG2 3.88Å; T502-I555 HydrophobicContact CG2-CD1 4.21Å; A503-I555 HydrophobicContact CB-CD1 3.99Å; Q551-I555 WeakPolarHBondContact O-CG1 3.07Å; Q551-I555 PolarHBondContact O-N 3.07Å; Q551-I555 VanDerWaalsContact O-N 3.15Å; V552-I555 PolarHBondContact O-N 3.19Å; L553-I555 VanDerWaalsContact C-N 3.34Å; I555-L558 PolarHBondContact O-N 3.49Å; I555-A559 WeakPolarHBondContact O-CB 3.38Å; I555-A559 PolarHBondContact O-N 3.11Å; I555-I600 HydrophobicContact CD1-CD1 4.35Å; I555-I600 HydrophobicContact CG1-CD1 4.01Å; I555-I600 HydrophobicContact CG1-CG1 4.14Å; I555-I600 HydrophobicContact CG1-CG2 3.97Å
556E98.9Very high98.7Very high0 Ų010.7 Ų10.70%05%0.05CC..Hα-helixtrans-60-46.9175.2-170.3-172.4170.800111.6V333 T337 S467 R470 I471 V552 L553 L558 A559 A560V333-E556 HydrophobicContact CG1-CB 3.78Å; V333-E556 HydrophobicContact CG1-CG 3.68Å; T337-E556 WeakPolarHBondContact CB-OE1 3.44Å; T337-E556 PolarHBondContact OG1-OE1 3.21Å; S467-E556 WeakPolarHBondContact CA-OE2 3.42Å; S467-E556 WeakPolarHBondContact CB-OE2 3.28Å; S467-E556 WeakPolarHBondContact OG-CB 3.36Å; S467-E556 PolarHBondContact OG-OE2 3.19Å; R470-E556 WeakPolarHBondContact CD-OE1 3.25Å; R470-E556 IonicContact CZ-OE1 2.76Å; R470-E556 IonicContact CZ-OE2 3.24Å; R470-E556 IonicContact NE-OE1 2.98Å; R470-E556 PolarHBondContact NE-OE1 2.91Å; R470-E556 IonicContact NE-OE2 3.41Å; R470-E556 PolarHBondContact NE-OE2 2.88Å; R470-E556 IonicContact NH2-OE1 2.77Å; R470-E556 IonicContact NH2-OE2 3.32Å; R470-E556 PolarHBondContact NH2-OE2 2.73Å; I471-E556 HydrophobicContact CD1-CB 3.99Å; I471-E556 HydrophobicContact CG1-CB 3.72Å; I471-E556 HydrophobicContact CG1-CG 4.05Å; V552-E556 PolarHBondContact O-N 3.02Å; L553-E556 PolarHBondContact O-N 2.9Å; E556-L558 VanDerWaalsContact C-N 3.34Å; E556-L558 PolarHBondContact O-N 2.75Å; E556-A559 PolarHBondContact O-N 3.09Å; E556-A560 WeakPolarHBondContact O-CB 3.47Å; E556-A560 PolarHBondContact O-N 3.24Å
557L98.9Very high98.6Very high0 Ų011.5 Ų11.50%05%0.054CC..Hα-helixtrans-59.9-43.8178.7178.953.7000111.7V333 L336 L553 A554 A560 C561 V579 V583 V603 L607 V612V333-L557 HydrophobicContact CG1-CB 4.11Å; V333-L557 HydrophobicContact CG2-CB 4.01Å; V333-L557 HydrophobicContact CG2-CD1 4.31Å; V333-L557 HydrophobicContact CG2-CD2 4.33Å; V333-L557 HydrophobicContact CG2-CG 4.45Å; L336-L557 HydrophobicContact CD2-CD1 3.73Å; L553-L557 VanDerWaalsContact O-CB 3.31Å; L553-L557 WeakPolarHBondContact O-CB 3.44Å; L553-L557 PolarHBondContact O-N 2.74Å; A554-L557 PolarHBondContact O-N 3.43Å; L557-A560 PolarHBondContact O-N 3.34Å; L557-C561 WeakPolarHBondContact O-CB 3.44Å; L557-C561 PolarHBondContact O-N 2.78Å; L557-C561 PolarHBondContact O-SG 3.03Å; L557-C561 VanDerWaalsContact O-SG 3.33Å; L557-V579 HydrophobicContact CD1-CG1 3.98Å; L557-V583 HydrophobicContact CD1-CG2 4.03Å; L557-V583 HydrophobicContact CD2-CG2 3.87Å; L557-V583 HydrophobicContact CG-CG2 3.83Å; L557-V603 HydrophobicContact CB-CG1 4.14Å; L557-V603 HydrophobicContact CD2-CG1 3.68Å; L557-V603 HydrophobicContact CG-CG1 4Å; L557-L607 HydrophobicContact CD2-CD2 4.24Å; L557-V612 HydrophobicContact CD2-CG2 3.74Å
558L98.8Very high98.6Very high6 Ų613.1 Ų13.13%0.0316%0.058CC..Hα-helixtrans-60.8-46.4174.2-82.4170.9000112.5F496 A554 I555 E556 C561 Q562 V583 V587 D599 I600 V603F496-L558 HydrophobicContact CE1-CB 3.9Å; F496-L558 HydrophobicContact CZ-CB 4.3Å; A554-L558 WeakPolarHBondContact O-CG 3.46Å; A554-L558 PolarHBondContact O-N 2.8Å; I555-L558 PolarHBondContact O-N 3.49Å; E556-L558 VanDerWaalsContact C-N 3.34Å; E556-L558 PolarHBondContact O-N 2.75Å; L558-C561 PolarHBondContact O-N 3.37Å; L558-Q562 WeakPolarHBondContact O-CB 3.45Å; L558-Q562 PolarHBondContact O-N 2.93Å; L558-V583 HydrophobicContact CD2-CG1 4.24Å; L558-V587 HydrophobicContact CD2-CB 4.09Å; L558-V587 HydrophobicContact CD2-CG1 3.73Å; L558-V587 HydrophobicContact CD2-CG2 4.2Å; L558-D599 HydrophobicContact CD1-CB 4.41Å; L558-I600 HydrophobicContact CD1-CB 4.33Å; L558-I600 HydrophobicContact CD1-CG1 3.88Å; L558-V603 HydrophobicContact CD1-CB 4.2Å; L558-V603 HydrophobicContact CD1-CG2 4.13Å; L558-V603 HydrophobicContact CD2-CB 4.32Å; L558-V603 HydrophobicContact CD2-CG2 3.43Å; L558-V603 VanDerWaalsContact CD2-CG2 3.43Å; L558-V603 HydrophobicContact CG-CB 3.97Å; L558-V603 HydrophobicContact CG-CG1 4.23Å; L558-V603 HydrophobicContact CG-CG2 3.62Å
559A98.9Very high98.5Very high0 Ų018.6 Ų18.60%09%0.094CC..Hα-helixtrans-64.1-43.118000000111.3L474 L486 F496 I555 E556 Q562 G563L474-A559 HydrophobicContact CD1-CB 3.82Å; L486-A559 HydrophobicContact CD1-CB 3.71Å; L486-A559 VanDerWaalsContact CD1-O 3.27Å; L486-A559 WeakPolarHBondContact CD1-O 3.36Å; F496-A559 HydrophobicContact CD1-CB 3.92Å; F496-A559 HydrophobicContact CE1-CB 3.95Å; I555-A559 WeakPolarHBondContact O-CB 3.38Å; I555-A559 PolarHBondContact O-N 3.11Å; E556-A559 PolarHBondContact O-N 3.09Å; A559-Q562 PolarHBondContact O-N 3.46Å; A559-G563 PolarHBondContact O-N 2.62Å
560A98.8Very high98.4Very high0 Ų021.2 Ų21.20%011%0.108CC..Hα-helixtrans-63.4-47.1176.100000111.4L336 V340 L474 E556 L557 Q562 G563 I564L336-A560 HydrophobicContact CB-CB 4.3Å; L336-A560 HydrophobicContact CD2-CB 3.83Å; L336-A560 HydrophobicContact CG-CB 4Å; V340-A560 HydrophobicContact CG2-CB 4.46Å; V340-A560 VanDerWaalsContact CG2-O 3.29Å; V340-A560 WeakPolarHBondContact CG2-O 3.45Å; L474-A560 HydrophobicContact CD1-CB 4.37Å; E556-A560 WeakPolarHBondContact O-CB 3.47Å; E556-A560 PolarHBondContact O-N 3.24Å; L557-A560 PolarHBondContact O-N 3.34Å; A560-Q562 VanDerWaalsContact C-N 3.28Å; A560-Q562 PolarHBondContact O-N 3.46Å; A560-G563 PolarHBondContact O-N 3.49Å; A560-G563 VanDerWaalsContact O-N 3.07Å; A560-I564 PolarHBondContact O-N 3.03Å; A560-I564 VanDerWaalsContact O-N 3.08Å
561C98.8Very high98.3Very high0 Ų028.5 Ų28.50%014%0.135CC..Hα-helixtrans-59.8-38.4174.7-71.20000112.3L557 L558 I564 Y580 V583 R584L557-C561 WeakPolarHBondContact O-CB 3.44Å; L557-C561 PolarHBondContact O-N 2.78Å; L557-C561 PolarHBondContact O-SG 3.03Å; L557-C561 VanDerWaalsContact O-SG 3.33Å; L558-C561 PolarHBondContact O-N 3.37Å; C561-I564 PolarHBondContact O-N 3.32Å; C561-Y580 HydrophobicContact CB-CD2 4.01Å; C561-Y580 HydrophobicContact CB-CE2 4.48Å; C561-Y580 WeakPolarHBondContact O-CE2 3.47Å; C561-V583 HydrophobicContact CB-CG1 4.26Å; C561-R584 VanDerWaalsContact C-NH2 3.3Å; C561-R584 PolarHBondContact O-NH2 2.77Å
562Q98.7Very high98.3Very high5 Ų525.8 Ų25.82%0.02312%0.123CC..Hα-helixtrans-66-40.1173.6178.364.31400112L486 F496 L558 A559 A560 I564 E565 F566 W590L486-Q562 HydrophobicContact CB-CG 3.75Å; L486-Q562 HydrophobicContact CD1-CB 4.38Å; L486-Q562 HydrophobicContact CD1-CG 4.41Å; L486-Q562 WeakPolarHBondContact O-CG 3.44Å; L486-Q562 PolarHBondContact O-NE2 3.36Å; L486-Q562 VanDerWaalsContact O-NE2 3.07Å; F496-Q562 HydrophobicContact CD2-CG 4.47Å; F496-Q562 HydrophobicContact CE2-CB 3.91Å; F496-Q562 HydrophobicContact CE2-CG 3.76Å; F496-Q562 HydrophobicContact CZ-CB 3.95Å; F496-Q562 HydrophobicContact CZ-CG 4.33Å; L558-Q562 WeakPolarHBondContact O-CB 3.45Å; L558-Q562 PolarHBondContact O-N 2.93Å; A559-Q562 PolarHBondContact O-N 3.46Å; A560-Q562 VanDerWaalsContact C-N 3.28Å; A560-Q562 PolarHBondContact O-N 3.46Å; Q562-I564 VanDerWaalsContact C-N 3.26Å; Q562-I564 PolarHBondContact O-N 2.96Å; Q562-E565 VanDerWaalsContact O-CB 3.23Å; Q562-E565 WeakPolarHBondContact O-CB 3.24Å; Q562-E565 WeakPolarHBondContact O-CG 3.49Å; Q562-E565 PolarHBondContact O-N 3.08Å; Q562-F566 HydrophobicContact CG-CE2 4.08Å; Q562-F566 WeakPolarHBondContact O-CD2 3.29Å; Q562-W590 HydrophobicContact CG-CB 4.35Å; Q562-W590 PolarHBondContact NE2-O 3.46Å
563G98.5Very high98.2Very high0 Ų025.8 Ų25.80%012%0.123CC..Hα-helixtrans-58.5-37.3175.700000112.9A559 A560 E565 F566 L567A559-G563 PolarHBondContact O-N 2.62Å; A560-G563 PolarHBondContact O-N 3.49Å; A560-G563 VanDerWaalsContact O-N 3.07Å; G563-E565 PolarHBondContact O-N 3.17Å; G563-F566 PolarHBondContact O-N 3.29Å; G563-F566 VanDerWaalsContact O-N 3.17Å; G563-L567 PolarHBondContact O-N 3.07Å
564I98.4Very high98.2Very high0 Ų029 Ų290%014%0.142CC..Hα-helixtrans-58.2-35173.9-67.7179.4000112L336 V340 A560 C561 Q562 F566 L567 R568 T572 Y580L336-I564 HydrophobicContact CD1-CD1 3.62Å; L336-I564 HydrophobicContact CG-CD1 4.13Å; V340-I564 HydrophobicContact CG2-CD1 4.34Å; V340-I564 HydrophobicContact CG2-CG1 3.53Å; A560-I564 PolarHBondContact O-N 3.03Å; A560-I564 VanDerWaalsContact O-N 3.08Å; C561-I564 PolarHBondContact O-N 3.32Å; Q562-I564 VanDerWaalsContact C-N 3.26Å; Q562-I564 PolarHBondContact O-N 2.96Å; I564-F566 PolarHBondContact O-N 3.48Å; I564-L567 PolarHBondContact O-N 3.18Å; I564-R568 WeakPolarHBondContact O-CG 3.32Å; I564-R568 PolarHBondContact O-N 3.36Å; I564-T572 HydrophobicContact CD1-CG2 4.22Å; I564-Y580 HydrophobicContact CB-CD2 4.15Å; I564-Y580 HydrophobicContact CB-CE2 4.15Å; I564-Y580 HydrophobicContact CD1-CD2 4.01Å; I564-Y580 HydrophobicContact CD1-CG 4.46Å; I564-Y580 HydrophobicContact CG2-CD2 4.06Å; I564-Y580 HydrophobicContact CG2-CE2 3.94Å
565E98.1Very high98.1Very high47 Ų4729 Ų2922%0.2214%0.142CC..Hα-helixtrans-58.4-38.9178.6-56.8-66.3168.600112Q562 G563 L567 R568 Y580 R584 P589Q562-E565 VanDerWaalsContact O-CB 3.23Å; Q562-E565 WeakPolarHBondContact O-CB 3.24Å; Q562-E565 WeakPolarHBondContact O-CG 3.49Å; Q562-E565 PolarHBondContact O-N 3.08Å; G563-E565 PolarHBondContact O-N 3.17Å; E565-L567 VanDerWaalsContact C-N 3.25Å; E565-L567 PolarHBondContact O-N 3.08Å; E565-R568 PolarHBondContact O-N 3.32Å; E565-Y580 VanDerWaalsContact CD-OH 3.29Å; E565-Y580 PolarHBondContact OE1-OH 3.19Å; E565-Y580 PolarHBondContact OE2-OH 3.39Å; E565-R584 IonicContact OE1-CZ 2.68Å; E565-R584 IonicContact OE1-NE 3.81Å; E565-R584 PolarHBondContact OE1-NE 2.59Å; E565-R584 IonicContact OE1-NH2 2.73Å; E565-R584 PolarHBondContact OE1-NH2 3.19Å; E565-P589 HydrophobicContact CG-CB 4.11Å; E565-P589 WeakPolarHBondContact OE1-CG 3.5Å
566F97.9Very high98.1Very high51 Ų5128.9 Ų28.922%0.22414%0.142CC..Hα-helixtrans-76-14.3179-65.5-69.5000113.5L482 P483 L486 N488 Q562 G563 I564L482-F566 HydrophobicContact CD2-CB 3.92Å; P483-F566 HydrophobicContact CB-CE1 4.43Å; P483-F566 HydrophobicContact CG-CD1 3.75Å; P483-F566 HydrophobicContact CG-CE1 3.71Å; P483-F566 HydrophobicContact CG-CG 4.26Å; P483-F566 HydrophobicContact CG-CZ 4.19Å; L486-F566 VanDerWaalsContact C-CE2 3.42Å; L486-F566 HydrophobicContact CB-CE2 4.09Å; L486-F566 VanDerWaalsContact O-CE2 3.25Å; L486-F566 WeakPolarHBondContact O-CE2 3.48Å; L486-F566 WeakPolarHBondContact O-CZ 3.4Å; N488-F566 WeakPolarHBondContact OD1-CE1 3.01Å; Q562-F566 HydrophobicContact CG-CE2 4.08Å; Q562-F566 WeakPolarHBondContact O-CD2 3.29Å; G563-F566 PolarHBondContact O-N 3.29Å; G563-F566 VanDerWaalsContact O-N 3.17Å; I564-F566 PolarHBondContact O-N 3.48Å
567L97.3Very high98.1Very high18 Ų1830 Ų309%0.09415%0.147CC..Hα-helixtrans-96.3-8.5176.8-60.4177000112.4V340 I381 L482 G563 I564 E565 L570V340-L567 HydrophobicContact CG1-CD1 4.44Å; I381-L567 HydrophobicContact CD1-CB 4.26Å; I381-L567 HydrophobicContact CD1-CD1 3.91Å; I381-L567 HydrophobicContact CG1-CD1 4.41Å; I381-L567 HydrophobicContact CG2-CD1 4.03Å; L482-L567 HydrophobicContact CD2-CD2 4.09Å; L482-L567 HydrophobicContact CD2-CG 4.37Å; G563-L567 PolarHBondContact O-N 3.07Å; I564-L567 PolarHBondContact O-N 3.18Å; E565-L567 VanDerWaalsContact C-N 3.25Å; E565-L567 PolarHBondContact O-N 3.08Å; L567-L570 VanDerWaalsContact O-CB 3.26Å; L567-L570 WeakPolarHBondContact O-CB 3.49Å; L567-L570 WeakPolarHBondContact O-CG 3.43Å; L567-L570 PolarHBondContact O-N 2.82Å
568R97Very high98.1Very high73 Ų7334.6 Ų34.628%0.27517%0.167SC..THydrogen-bonded Turntrans-58.7141.3175.3-64.9-50.4-171.9-165.52.9110.6I564 E565 L570 E577I564-R568 WeakPolarHBondContact O-CG 3.32Å; I564-R568 PolarHBondContact O-N 3.36Å; E565-R568 PolarHBondContact O-N 3.32Å; R568-L570 WeakPolarHBondContact CD-O 3.46Å; R568-L570 PolarHBondContact NH1-O 3.35Å; R568-E577 IonicContact CZ-OE1 3.5Å; R568-E577 IonicContact CZ-OE2 3.95Å; R568-E577 IonicContact NH1-OE1 3.7Å; R568-E577 PolarHBondContact NH1-OE1 3.45Å; R568-E577 IonicContact NH1-OE2 2.83Å; R568-E577 IonicContact NH2-OE1 2.95Å; R568-E577 PolarHBondContact NH2-OE1 2.94Å; R568-E577 IonicContact NH2-OE2 3.16Å; R568-E577 PolarHBondContact NH2-OE2 3.02Å
569P96.7Very high98.1Very high119 Ų11934.4 Ų34.477%0.77317%0.166SC*.THydrogen-bonded Turncis-85.82.315.335.1-37.4000115.9
570L97.5Very high98.1Very high55 Ų5535.4 Ų35.429%0.28817%0.17SC..  trans-61.7143.5179.9-55.7174.7000111.2E380 I381 L567 R568E380-L570 HydrophobicContact CB-CB 4.27Å; E380-L570 HydrophobicContact CB-CD2 4.1Å; I381-L570 HydrophobicContact CG1-CB 3.73Å; L567-L570 VanDerWaalsContact O-CB 3.26Å; L567-L570 WeakPolarHBondContact O-CB 3.49Å; L567-L570 WeakPolarHBondContact O-CG 3.43Å; L567-L570 PolarHBondContact O-N 2.82Å; R568-L570 WeakPolarHBondContact CD-O 3.46Å; R568-L570 PolarHBondContact NH1-O 3.35Å
571R97.5Very high98.1Very high160 Ų16039 Ų3960%0.60419%0.189SC*.  trans-108.5142.5176-62.5-174.8174.7-165.1-3.2112.1E380 I381 E577E380-R571 WeakPolarHBondContact CB-O 3.35Å; E380-R571 PolarHBondContact N-O 2.88Å; E380-R571 WeakPolarHBondContact OE2-CB 3.46Å; E380-R571 PolarHBondContact OE2-N 3.48Å; I381-R571 PolarHBondContact N-O 3.07Å; R571-E577 VanDerWaalsContact CA-OE1 3.26Å; R571-E577 WeakPolarHBondContact CA-OE1 3.17Å; R571-E577 WeakPolarHBondContact CB-OE1 3.49Å
572T97.8Very high98.1Very high5 Ų540.3 Ų40.33%0.03120%0.196CC..  trans-79.7-172167.5-170.90000109.9E339 I564 L576 E577E339-T572 WeakPolarHBondContact CB-OG1 3.38Å; E339-T572 WeakPolarHBondContact CG-OG1 3.15Å; E339-T572 PolarHBondContact OE2-OG1 3.45Å; I564-T572 HydrophobicContact CD1-CG2 4.22Å; T572-L576 HydrophobicContact CG2-CB 3.68Å; T572-E577 HydrophobicContact CG2-CG 3.72Å; T572-E577 PolarHBondContact N-OE1 3.1Å
573T97.6Very high98.1Very high0 Ų040.1 Ų40.10%020%0.195CC..  trans-62.6153.1178.267.90000112.3L371 H377 L576 E577L371-T573 WeakPolarHBondContact O-CB 3.46Å; L371-T573 WeakPolarHBondContact O-CG2 3.24Å; L371-T573 PolarHBondContact O-OG1 3.05Å; H377-T573 HydrophobicContact CB-CG2 4.3Å; H377-T573 VanDerWaalsContact O-CG2 3.31Å; H377-T573 WeakPolarHBondContact O-CG2 3.36Å; T573-L576 PolarHBondContact O-N 3.28Å; T573-L576 VanDerWaalsContact O-N 3.1Å; T573-L576 WeakPolarHBondContact OG1-CB 3.37Å; T573-L576 WeakPolarHBondContact OG1-CG 3.48Å; T573-E577 PolarHBondContact O-N 3.15Å
574T97.8Very high98Very high67 Ų6742.2 Ų42.241%0.41120%0.203SC..Hα-helixtrans-48.2-51.2176.2-56.90000114.3L576 E577 K578 Y619T574-L576 VanDerWaalsContact C-N 3.32Å; T574-L576 PolarHBondContact O-N 3.02Å; T574-E577 PolarHBondContact O-N 3.34Å; T574-K578 WeakPolarHBondContact O-CG 3.35Å; T574-K578 PolarHBondContact O-N 3.35Å; T574-Y619 HydrophobicContact CG2-CE1 3.99Å
575P97.8Very high98Very high0 Ų047.3 Ų47.30%023%0.234CC..Hα-helixtrans-61.3-38.5178.920.9-32.6000113.2L371 K578 V579 Y619L371-P575 HydrophobicContact CD2-CB 3.74Å; L371-P575 HydrophobicContact CD2-CG 4.11Å; P575-K578 WeakPolarHBondContact O-CB 3.17Å; P575-K578 PolarHBondContact O-N 3.08Å; P575-V579 PolarHBondContact O-N 3.13Å; P575-Y619 HydrophobicContact CB-CD1 4.17Å; P575-Y619 HydrophobicContact CB-CD2 3.76Å; P575-Y619 HydrophobicContact CB-CE2 4.26Å; P575-Y619 HydrophobicContact CB-CG 3.72Å; P575-Y619 HydrophobicContact CG-CG 4.46Å
576L98.5Very high97.9Very high0 Ų048.3 Ų48.30%024%0.243CC..Hα-helixtrans-77.9-31.8-177.2-66.1179.3000112.5I332 A335 L336 E339 L371 L372 T572 T573 T574 K578 V579 Y580I332-L576 HydrophobicContact CG2-CD2 4.3Å; A335-L576 HydrophobicContact CB-CD1 4.29Å; A335-L576 HydrophobicContact CB-CD2 4.26Å; L336-L576 HydrophobicContact CB-CD2 4.43Å; L336-L576 HydrophobicContact CD1-CB 3.76Å; L336-L576 HydrophobicContact CD1-CD2 4.26Å; L336-L576 HydrophobicContact CD1-CG 4.4Å; E339-L576 HydrophobicContact CG-CD1 3.62Å; L371-L576 HydrophobicContact CB-CD2 4.4Å; L372-L576 HydrophobicContact CD2-CD1 4.26Å; T572-L576 HydrophobicContact CG2-CB 3.68Å; T573-L576 PolarHBondContact O-N 3.28Å; T573-L576 VanDerWaalsContact O-N 3.1Å; T573-L576 WeakPolarHBondContact OG1-CB 3.37Å; T573-L576 WeakPolarHBondContact OG1-CG 3.48Å; T574-L576 VanDerWaalsContact C-N 3.32Å; T574-L576 PolarHBondContact O-N 3.02Å; L576-K578 VanDerWaalsContact C-N 3.26Å; L576-K578 PolarHBondContact O-N 3.21Å; L576-V579 PolarHBondContact O-N 3.36Å; L576-Y580 PolarHBondContact O-N 2.81Å
577E98.6Very high97.8Very high24 Ų2446.1 Ų46.111%0.11223%0.234CC..Hα-helixtrans-60.7-36.5167.5-73.7-65.2166.900111.3R568 R571 T572 T573 T574 V579 Y580 D581R568-E577 IonicContact CZ-OE1 3.5Å; R568-E577 IonicContact CZ-OE2 3.95Å; R568-E577 IonicContact NH1-OE1 3.7Å; R568-E577 PolarHBondContact NH1-OE1 3.45Å; R568-E577 IonicContact NH1-OE2 2.83Å; R568-E577 IonicContact NH2-OE1 2.95Å; R568-E577 PolarHBondContact NH2-OE1 2.94Å; R568-E577 IonicContact NH2-OE2 3.16Å; R568-E577 PolarHBondContact NH2-OE2 3.02Å; R571-E577 VanDerWaalsContact CA-OE1 3.26Å; R571-E577 WeakPolarHBondContact CA-OE1 3.17Å; R571-E577 WeakPolarHBondContact CB-OE1 3.49Å; T572-E577 HydrophobicContact CG2-CG 3.72Å; T572-E577 PolarHBondContact N-OE1 3.1Å; T573-E577 PolarHBondContact O-N 3.15Å; T574-E577 PolarHBondContact O-N 3.34Å; E577-V579 VanDerWaalsContact C-N 3.34Å; E577-V579 PolarHBondContact O-N 3.22Å; E577-Y580 WeakPolarHBondContact O-CB 3.33Å; E577-Y580 PolarHBondContact O-N 3.17Å; E577-D581 WeakPolarHBondContact O-CB 3.27Å; E577-D581 VanDerWaalsContact O-CG 3.23Å; E577-D581 PolarHBondContact O-N 2.96Å
578K98.6Very high97.8Very high97 Ų9752.9 Ų52.942%0.42226%0.263SS..Hα-helixtrans-66.2-35.4175.2-66.2-58.3179.2-1670113.3T574 P575 L576 L582 V615 Y619T574-K578 WeakPolarHBondContact O-CG 3.35Å; T574-K578 PolarHBondContact O-N 3.35Å; P575-K578 WeakPolarHBondContact O-CB 3.17Å; P575-K578 PolarHBondContact O-N 3.08Å; L576-K578 VanDerWaalsContact C-N 3.26Å; L576-K578 PolarHBondContact O-N 3.21Å; K578-L582 WeakPolarHBondContact O-CB 3.3Å; K578-L582 PolarHBondContact O-N 3.33Å; K578-V615 HydrophobicContact CB-CG1 3.49Å; K578-V615 VanDerWaalsContact CB-CG1 3.49Å; K578-Y619 HydrophobicContact CG-CE2 4.4Å
579V98.8Very high97.8Very high1 Ų151.3 Ų51.31%0.00626%0.262CS..Hα-helixtrans-68.5-43.4174174.20000110.5I332 L557 P575 L576 E577 L582 V583 V612 V615I332-V579 HydrophobicContact CG2-CG1 4.33Å; I332-V579 HydrophobicContact CG2-CG2 3.79Å; L557-V579 HydrophobicContact CD1-CG1 3.98Å; P575-V579 PolarHBondContact O-N 3.13Å; L576-V579 PolarHBondContact O-N 3.36Å; E577-V579 VanDerWaalsContact C-N 3.34Å; E577-V579 PolarHBondContact O-N 3.22Å; V579-L582 WeakPolarHBondContact O-CB 3.47Å; V579-L582 PolarHBondContact O-N 3.11Å; V579-V583 PolarHBondContact O-N 2.94Å; V579-V583 VanDerWaalsContact O-N 3.08Å; V579-V612 HydrophobicContact CG1-CG1 3.89Å; V579-V612 HydrophobicContact CG2-CG1 4.32Å; V579-V615 HydrophobicContact CG2-CG1 4.08Å
580Y98.8Very high97.8Very high22 Ų2246.1 Ų46.19%0.08623%0.227CC..Hα-helixtrans-57.9-48.2173.2167.3-87.2000111.8C561 I564 E565 L576 E577 L582 V583 R584C561-Y580 HydrophobicContact CB-CD2 4.01Å; C561-Y580 HydrophobicContact CB-CE2 4.48Å; C561-Y580 WeakPolarHBondContact O-CE2 3.47Å; I564-Y580 HydrophobicContact CB-CD2 4.15Å; I564-Y580 HydrophobicContact CB-CE2 4.15Å; I564-Y580 HydrophobicContact CD1-CD2 4.01Å; I564-Y580 HydrophobicContact CD1-CG 4.46Å; I564-Y580 HydrophobicContact CG2-CD2 4.06Å; I564-Y580 HydrophobicContact CG2-CE2 3.94Å; E565-Y580 VanDerWaalsContact CD-OH 3.29Å; E565-Y580 PolarHBondContact OE1-OH 3.19Å; E565-Y580 PolarHBondContact OE2-OH 3.39Å; L576-Y580 PolarHBondContact O-N 2.81Å; E577-Y580 WeakPolarHBondContact O-CB 3.33Å; E577-Y580 PolarHBondContact O-N 3.17Å; Y580-L582 VanDerWaalsContact C-N 3.3Å; Y580-L582 PolarHBondContact O-N 3.36Å; Y580-V583 PolarHBondContact O-N 3.38Å; Y580-R584 HydrophobicContact CD1-CG 4.24Å; Y580-R584 HydrophobicContact CD2-CG 4.43Å; Y580-R584 HydrophobicContact CE1-CG 3.81Å; Y580-R584 HydrophobicContact CE2-CG 4.04Å; Y580-R584 WeakPolarHBondContact O-CG 3.29Å; Y580-R584 PolarHBondContact O-N 2.85Å
581D98.7Very high97.7Very high74 Ų7448.8 Ų48.840%0.39624%0.24SC..Hα-helixtrans-56.9-45.1177.3-75-20.5000110.9E577 V583 R584 T585E577-D581 WeakPolarHBondContact O-CB 3.27Å; E577-D581 VanDerWaalsContact O-CG 3.23Å; E577-D581 PolarHBondContact O-N 2.96Å; D581-V583 PolarHBondContact O-N 3.26Å; D581-R584 PolarHBondContact O-N 3.12Å; D581-T585 VanDerWaalsContact O-CG2 3.31Å; D581-T585 WeakPolarHBondContact O-CG2 3.43Å; D581-T585 PolarHBondContact O-N 3.33Å; D581-T585 VanDerWaalsContact O-N 3.11Å
582L98.8Very high97.5Very high29 Ų2948.3 Ų48.315%0.15224%0.243CC..Hα-helixtrans-56.9-49.8176.6174.270.1000111.3K578 V579 Y580 R584 T585 L606 K611 V612 V615K578-L582 WeakPolarHBondContact O-CB 3.3Å; K578-L582 PolarHBondContact O-N 3.33Å; V579-L582 WeakPolarHBondContact O-CB 3.47Å; V579-L582 PolarHBondContact O-N 3.11Å; Y580-L582 VanDerWaalsContact C-N 3.3Å; Y580-L582 PolarHBondContact O-N 3.36Å; L582-R584 VanDerWaalsContact C-N 3.27Å; L582-R584 PolarHBondContact O-N 3.19Å; L582-T585 WeakPolarHBondContact O-CB 3.37Å; L582-T585 PolarHBondContact O-N 3.4Å; L582-T585 VanDerWaalsContact O-N 3.14Å; L582-T585 PolarHBondContact O-OG1 2.94Å; L582-L606 HydrophobicContact CD1-CD2 4.34Å; L582-L606 HydrophobicContact CD2-CD1 4.39Å; L582-L606 HydrophobicContact CG-CD1 4.09Å; L582-L606 HydrophobicContact CG-CD2 4.49Å; L582-K611 HydrophobicContact CD1-CB 4.38Å; L582-K611 HydrophobicContact CD2-CB 3.8Å; L582-V612 HydrophobicContact CD2-CG2 4.1Å; L582-V615 HydrophobicContact CB-CG2 4.49Å; L582-V615 HydrophobicContact CD2-CG2 3.96Å
583V98.7Very high97.5Very high0 Ų051 Ų510%026%0.257CS..Hα-helixtrans-61.1-39.7178.4172.80000110.7L557 L558 C561 V579 Y580 D581 T585 V586 V587 V603 L606L557-V583 HydrophobicContact CD1-CG2 4.03Å; L557-V583 HydrophobicContact CD2-CG2 3.87Å; L557-V583 HydrophobicContact CG-CG2 3.83Å; L558-V583 HydrophobicContact CD2-CG1 4.24Å; C561-V583 HydrophobicContact CB-CG1 4.26Å; V579-V583 PolarHBondContact O-N 2.94Å; V579-V583 VanDerWaalsContact O-N 3.08Å; Y580-V583 PolarHBondContact O-N 3.38Å; D581-V583 PolarHBondContact O-N 3.26Å; V583-T585 PolarHBondContact O-N 2.98Å; V583-V586 VanDerWaalsContact O-CG2 3.24Å; V583-V586 WeakPolarHBondContact O-CG2 3.2Å; V583-V586 PolarHBondContact O-N 2.85Å; V583-V586 VanDerWaalsContact O-N 3.09Å; V583-V587 PolarHBondContact O-N 3.29Å; V583-V603 HydrophobicContact CG1-CG2 3.93Å; V583-L606 HydrophobicContact CG2-CD1 4.27Å
584R98.4Very high97.3Very high45 Ų4555.3 Ų55.317%0.1727%0.273CS..Hα-helixtrans-68.2-15.5178.5-68.5-70.7173.7-106.51.7114.2C561 E565 Y580 D581 L582 V586 V587C561-R584 VanDerWaalsContact C-NH2 3.3Å; C561-R584 PolarHBondContact O-NH2 2.77Å; E565-R584 IonicContact OE1-CZ 2.68Å; E565-R584 IonicContact OE1-NE 3.81Å; E565-R584 PolarHBondContact OE1-NE 2.59Å; E565-R584 IonicContact OE1-NH2 2.73Å; E565-R584 PolarHBondContact OE1-NH2 3.19Å; Y580-R584 HydrophobicContact CD1-CG 4.24Å; Y580-R584 HydrophobicContact CD2-CG 4.43Å; Y580-R584 HydrophobicContact CE1-CG 3.81Å; Y580-R584 HydrophobicContact CE2-CG 4.04Å; Y580-R584 WeakPolarHBondContact O-CG 3.29Å; Y580-R584 PolarHBondContact O-N 2.85Å; D581-R584 PolarHBondContact O-N 3.12Å; L582-R584 VanDerWaalsContact C-N 3.27Å; L582-R584 PolarHBondContact O-N 3.19Å; R584-V586 VanDerWaalsContact C-N 3.26Å; R584-V586 PolarHBondContact O-N 3.17Å; R584-V587 WeakPolarHBondContact CA-O 3.48Å; R584-V587 WeakPolarHBondContact CD-O 3.42Å; R584-V587 PolarHBondContact NH1-O 3.29Å
585T98.1Very high97.1Very high107 Ų10759.5 Ų59.566%0.65629%0.286SS*.THydrogen-bonded Turntrans-69-24.1170.5710000113.5D581 L582 V583D581-T585 VanDerWaalsContact O-CG2 3.31Å; D581-T585 WeakPolarHBondContact O-CG2 3.43Å; D581-T585 PolarHBondContact O-N 3.33Å; D581-T585 VanDerWaalsContact O-N 3.11Å; L582-T585 WeakPolarHBondContact O-CB 3.37Å; L582-T585 PolarHBondContact O-N 3.4Å; L582-T585 VanDerWaalsContact O-N 3.14Å; L582-T585 PolarHBondContact O-OG1 2.94Å; V583-T585 PolarHBondContact O-N 2.98Å
586V95.9Very high96.9Very high68 Ų6860.8 Ų60.841%0.41229%0.292SS..THydrogen-bonded Turntrans-116.2-26.8-176.1-64.80000113.4V583 R584 A602 L606V583-V586 VanDerWaalsContact O-CG2 3.24Å; V583-V586 WeakPolarHBondContact O-CG2 3.2Å; V583-V586 PolarHBondContact O-N 2.85Å; V583-V586 VanDerWaalsContact O-N 3.09Å; R584-V586 VanDerWaalsContact C-N 3.26Å; R584-V586 PolarHBondContact O-N 3.17Å; V586-A602 HydrophobicContact CB-CB 4.3Å; V586-A602 HydrophobicContact CG2-CB 4.39Å; V586-L606 HydrophobicContact CG1-CD2 4.39Å; V586-L606 HydrophobicContact CG2-CD1 3.67Å; V586-L606 HydrophobicContact CG2-CD2 4.49Å; V586-L606 HydrophobicContact CG2-CG 4.18Å
587V95.8Very high96.6Very high4 Ų464.1 Ų64.12%0.02432%0.315CS..SBendtrans-132.5124.1-178.1175.20000111.4L558 V583 R584 D599 A602 V603L558-V587 HydrophobicContact CD2-CB 4.09Å; L558-V587 HydrophobicContact CD2-CG1 3.73Å; L558-V587 HydrophobicContact CD2-CG2 4.2Å; V583-V587 PolarHBondContact O-N 3.29Å; R584-V587 WeakPolarHBondContact CA-O 3.48Å; R584-V587 WeakPolarHBondContact CD-O 3.42Å; R584-V587 PolarHBondContact NH1-O 3.29Å; V587-D599 HydrophobicContact CB-CB 4.48Å; V587-D599 HydrophobicContact CG1-CB 3.78Å; V587-D599 HydrophobicContact CG2-CB 3.79Å; V587-A602 HydrophobicContact CG2-CB 4Å; V587-V603 HydrophobicContact CG2-CG2 3.97Å
588K96.9Very high96.3Very high161 Ų16165.9 Ų65.970%0.733%0.329SS*.  trans-71.7158177.1-64.8179.8-177.3176.80111.8R594K588-R594 PolarHBondContact O-NH2 3.22Å
589P97.3Very high96.1Very high40 Ų4062.3 Ų62.326%0.2632%0.315SS..  trans-52.4145.6169.8-24.533.8000112.5E565 I591 R594E565-P589 HydrophobicContact CG-CB 4.11Å; E565-P589 WeakPolarHBondContact OE1-CG 3.5Å; P589-I591 HydrophobicContact CB-CD1 4.05Å; P589-I591 HydrophobicContact CB-CG1 4.45Å; P589-I591 PolarHBondContact O-N 3.01Å; P589-R594 PolarHBondContact O-NH1 2.82Å
590W96.4Very high95.9Very high9 Ų963.6 Ų63.63%0.03432%0.321CS..  trans-86.285.8178.5-163.2-84.2000110.3F496 Q562 D593 R594 M596 D599F496-W590 HydrophobicContact CE2-CB 4.02Å; F496-W590 HydrophobicContact CE2-CD2 4.47Å; F496-W590 HydrophobicContact CE2-CG 4.14Å; Q562-W590 HydrophobicContact CG-CB 4.35Å; Q562-W590 PolarHBondContact NE2-O 3.46Å; W590-D593 PolarHBondContact NE1-OD1 3.27Å; W590-R594 HydrophobicContact CD2-CG 4.48Å; W590-R594 HydrophobicContact CE3-CG 3.95Å; W590-R594 HydrophobicContact CH2-CB 4.35Å; W590-R594 HydrophobicContact CH2-CG 3.42Å; W590-R594 VanDerWaalsContact CH2-CG 3.42Å; W590-R594 WeakPolarHBondContact CH2-O 3.34Å; W590-R594 HydrophobicContact CZ2-CG 4.01Å; W590-R594 VanDerWaalsContact CZ2-N 3.34Å; W590-R594 WeakPolarHBondContact CZ2-O 3.5Å; W590-R594 HydrophobicContact CZ3-CG 3.38Å; W590-M596 HydrophobicContact CD2-CE 3.97Å; W590-M596 HydrophobicContact CE3-CE 3.84Å; W590-M596 HydrophobicContact CH2-CB 3.62Å; W590-M596 HydrophobicContact CH2-CE 3.32Å; W590-M596 HydrophobicContact CH2-CG 3.98Å; W590-M596 HydrophobicContact CH2-SD 4.45Å; W590-M596 HydrophobicContact CZ2-CE 3.46Å; W590-M596 VanDerWaalsContact CZ2-CE 3.46Å; W590-M596 HydrophobicContact CZ3-CB 4Å; W590-M596 HydrophobicContact CZ3-CE 3.53Å; W590-M596 HydrophobicContact CZ3-CG 3.97Å; W590-D599 WeakPolarHBondContact CZ3-OD2 2.81Å
591I94.7Very high95.6Very high112 Ų11265.6 Ų65.657%0.57433%0.331SS*.SBendtrans-82.6-39.3-178.6-55.4-56.5000111.9P589P589-I591 HydrophobicContact CB-CD1 4.05Å; P589-I591 HydrophobicContact CB-CG1 4.45Å; P589-I591 PolarHBondContact O-N 3.01Å
592K94.4Very high95.3Very high150 Ų15063.1 Ų63.165%0.65232%0.321SS*.SBendtrans-146.6161.5178.965.4178.5-176.5176.70109.1N493 R594N493-K592 WeakPolarHBondContact OD1-CA 3.36Å; K592-R594 PolarHBondContact O-N 3.41Å
593D96.8Very high95.2Very high60 Ų6061.7 Ų61.732%0.32131%0.314SS..  trans-59.4136.9-178-77.1-3.4000112.6N493 S494 G495 W590N493-D593 WeakPolarHBondContact CA-OD2 3.44Å; N493-D593 PolarHBondContact OD1-N 3.26Å; S494-D593 PolarHBondContact N-OD1 2.88Å; S494-D593 PolarHBondContact N-OD2 3.14Å; G495-D593 PolarHBondContact N-OD1 2.69Å; W590-D593 PolarHBondContact NE1-OD1 3.27Å
594R94.7Very high95.2Very high92 Ų9262.4 Ų62.435%0.34732%0.317SS..  trans-145.4179.917464177-179.5-111.12.8109.5K588 P589 W590 K592 M596 D599K588-R594 PolarHBondContact O-NH2 3.22Å; P589-R594 PolarHBondContact O-NH1 2.82Å; W590-R594 HydrophobicContact CD2-CG 4.48Å; W590-R594 HydrophobicContact CE3-CG 3.95Å; W590-R594 HydrophobicContact CH2-CB 4.35Å; W590-R594 HydrophobicContact CH2-CG 3.42Å; W590-R594 VanDerWaalsContact CH2-CG 3.42Å; W590-R594 WeakPolarHBondContact CH2-O 3.34Å; W590-R594 HydrophobicContact CZ2-CG 4.01Å; W590-R594 VanDerWaalsContact CZ2-N 3.34Å; W590-R594 WeakPolarHBondContact CZ2-O 3.5Å; W590-R594 HydrophobicContact CZ3-CG 3.38Å; K592-R594 PolarHBondContact O-N 3.41Å; R594-M596 PolarHBondContact O-N 3.06Å; R594-M596 VanDerWaalsContact O-N 3.16Å; R594-D599 IonicContact CZ-OD2 2.86Å; R594-D599 IonicContact NE-OD2 2.78Å; R594-D599 PolarHBondContact NE-OD2 2.86Å; R594-D599 IonicContact NH2-OD1 3.53Å; R594-D599 IonicContact NH2-OD2 3.43Å; R594-D599 PolarHBondContact NH2-OD2 2.59Å
595F92.3Very high95.1Very high155 Ų15566.4 Ų66.468%0.6833%0.332SS*.  trans-68.1113.1174.1-179-150.9000110.2P598F595-P598 VanDerWaalsContact CD1-CD 3.42Å; F595-P598 HydrophobicContact CD1-CG 3.33Å; F595-P598 VanDerWaalsContact CE1-CD 3.49Å; F595-P598 HydrophobicContact CE1-CG 3.4Å; F595-P598 HydrophobicContact CG-CG 4.04Å; F595-P598 HydrophobicContact CZ-CG 4.15Å; F595-P598 WeakPolarHBondContact O-CD 2.84Å
596M93.1Very high95Very high26 Ų2661.5 Ų61.513%0.12830%0.302CS..  trans-82.4-30.4-171.3-169165.5-81.700114.4G495 F496 A499 W590 R594 P598 D599 I600G495-M596 VanDerWaalsContact O-CE 3.29Å; G495-M596 WeakPolarHBondContact O-CE 3.46Å; F496-M596 HydrophobicContact CD1-CE 4.41Å; F496-M596 HydrophobicContact CD2-CE 4.14Å; F496-M596 HydrophobicContact CE2-CE 4.27Å; F496-M596 HydrophobicContact CG-CE 4.21Å; F496-M596 HydrophobicContact CZ-CE 4.49Å; A499-M596 HydrophobicContact CB-CE 4.48Å; A499-M596 HydrophobicContact CB-SD 3.23Å; A499-M596 WeakPolarHBondContact CB-SD 3.43Å; W590-M596 HydrophobicContact CD2-CE 3.97Å; W590-M596 HydrophobicContact CE3-CE 3.84Å; W590-M596 HydrophobicContact CH2-CB 3.62Å; W590-M596 HydrophobicContact CH2-CE 3.32Å; W590-M596 HydrophobicContact CH2-CG 3.98Å; W590-M596 HydrophobicContact CH2-SD 4.45Å; W590-M596 HydrophobicContact CZ2-CE 3.46Å; W590-M596 VanDerWaalsContact CZ2-CE 3.46Å; W590-M596 HydrophobicContact CZ3-CB 4Å; W590-M596 HydrophobicContact CZ3-CE 3.53Å; W590-M596 HydrophobicContact CZ3-CG 3.97Å; R594-M596 PolarHBondContact O-N 3.06Å; R594-M596 VanDerWaalsContact O-N 3.16Å; M596-P598 VanDerWaalsContact C-CD 3.46Å; M596-P598 VanDerWaalsContact C-N 3.35Å; M596-D599 WeakPolarHBondContact O-CB 3.08Å; M596-D599 PolarHBondContact O-N 2.76Å; M596-I600 HydrophobicContact CG-CD1 3.89Å; M596-I600 HydrophobicContact CG-CG1 4.07Å; M596-I600 PolarHBondContact O-N 2.77Å; M596-I600 VanDerWaalsContact O-N 3.14Å; M596-I600 HydrophobicContact SD-CD1 4.38Å
597S92Very high95.1Very high70 Ų7058.4 Ų58.449%0.4928%0.283SS..Hα-helixtrans-55.2-41.3-174.6-165.20000113.9D599 I600 E601S597-D599 VanDerWaalsContact C-N 3.29Å; S597-D599 PolarHBondContact O-N 2.98Å; S597-I600 PolarHBondContact O-N 3.34Å; S597-E601 WeakPolarHBondContact O-CB 3.23Å; S597-E601 PolarHBondContact O-N 2.78Å
598P93.6Very high95Very high62 Ų6261.2 Ų61.240%0.40330%0.297SS..Hα-helixtrans-64-32.4176.9-23.235.7000113.5F595 M596 A602F595-P598 VanDerWaalsContact CD1-CD 3.42Å; F595-P598 HydrophobicContact CD1-CG 3.33Å; F595-P598 VanDerWaalsContact CE1-CD 3.49Å; F595-P598 HydrophobicContact CE1-CG 3.4Å; F595-P598 HydrophobicContact CG-CG 4.04Å; F595-P598 HydrophobicContact CZ-CG 4.15Å; F595-P598 WeakPolarHBondContact O-CD 2.84Å; M596-P598 VanDerWaalsContact C-CD 3.46Å; M596-P598 VanDerWaalsContact C-N 3.35Å; P598-A602 VanDerWaalsContact O-CB 3.28Å; P598-A602 WeakPolarHBondContact O-CB 3.34Å; P598-A602 PolarHBondContact O-N 3.43Å
599D94.9Very high94.9Very high22 Ų2257.1 Ų57.112%0.11828%0.283CS..Hα-helixtrans-70.8-43.9178-70.2-16.2000110.7L558 V587 W590 R594 M596 S597 A602 V603L558-D599 HydrophobicContact CD1-CB 4.41Å; V587-D599 HydrophobicContact CB-CB 4.48Å; V587-D599 HydrophobicContact CG1-CB 3.78Å; V587-D599 HydrophobicContact CG2-CB 3.79Å; W590-D599 WeakPolarHBondContact CZ3-OD2 2.81Å; R594-D599 IonicContact CZ-OD2 2.86Å; R594-D599 IonicContact NE-OD2 2.78Å; R594-D599 PolarHBondContact NE-OD2 2.86Å; R594-D599 IonicContact NH2-OD1 3.53Å; R594-D599 IonicContact NH2-OD2 3.43Å; R594-D599 PolarHBondContact NH2-OD2 2.59Å; M596-D599 WeakPolarHBondContact O-CB 3.08Å; M596-D599 PolarHBondContact O-N 2.76Å; S597-D599 VanDerWaalsContact C-N 3.29Å; S597-D599 PolarHBondContact O-N 2.98Å; D599-A602 PolarHBondContact O-N 3.18Å; D599-V603 PolarHBondContact O-N 3.3Å; D599-V603 VanDerWaalsContact O-N 3.08Å
600I94.2Very high94.9Very high28 Ų2857.8 Ų57.814%0.14428%0.283CS..Hα-helixtrans-59-49.3174.7-63.8170.5000110.1A499 I555 L558 M596 S597 A602 V603 H604A499-I600 HydrophobicContact CB-CD1 4.45Å; I555-I600 HydrophobicContact CD1-CD1 4.35Å; I555-I600 HydrophobicContact CG1-CD1 4.01Å; I555-I600 HydrophobicContact CG1-CG1 4.14Å; I555-I600 HydrophobicContact CG1-CG2 3.97Å; L558-I600 HydrophobicContact CD1-CB 4.33Å; L558-I600 HydrophobicContact CD1-CG1 3.88Å; M596-I600 HydrophobicContact CG-CD1 3.89Å; M596-I600 HydrophobicContact CG-CG1 4.07Å; M596-I600 PolarHBondContact O-N 2.77Å; M596-I600 VanDerWaalsContact O-N 3.14Å; M596-I600 HydrophobicContact SD-CD1 4.38Å; S597-I600 PolarHBondContact O-N 3.34Å; I600-A602 VanDerWaalsContact C-N 3.34Å; I600-A602 PolarHBondContact O-N 3.43Å; I600-V603 PolarHBondContact O-N 3.44Å; I600-H604 WeakPolarHBondContact O-CB 3.35Å; I600-H604 PolarHBondContact O-N 2.72Å
601E92.7Very high95Very high63 Ų6361.4 Ų61.429%0.29430%0.299SS..Hα-helixtrans-60.5-42.3178.7176.759.8-157.600111.9S597 V603 H604 R605S597-E601 WeakPolarHBondContact O-CB 3.23Å; S597-E601 PolarHBondContact O-N 2.78Å; E601-V603 PolarHBondContact O-N 3.11Å; E601-H604 PolarHBondContact O-N 3.14Å; E601-R605 VanDerWaalsContact CG-NH2 3.32Å; E601-R605 WeakPolarHBondContact O-CG 3.42Å; E601-R605 PolarHBondContact O-N 3.41Å; E601-R605 IonicContact OE1-CZ 2.8Å; E601-R605 VanDerWaalsContact OE1-CZ 3.31Å; E601-R605 IonicContact OE1-NE 3.69Å; E601-R605 PolarHBondContact OE1-NE 3.47Å; E601-R605 IonicContact OE1-NH2 2.74Å; E601-R605 PolarHBondContact OE1-NH2 3.2Å
602A91.7Very high95.2Very high22 Ų2256 Ų5618%0.18227%0.271CS..Hα-helixtrans-62.4-40.7177.700000112.4V586 V587 P598 D599 I600 L606V586-A602 HydrophobicContact CB-CB 4.3Å; V586-A602 HydrophobicContact CG2-CB 4.39Å; V587-A602 HydrophobicContact CG2-CB 4Å; P598-A602 VanDerWaalsContact O-CB 3.28Å; P598-A602 WeakPolarHBondContact O-CB 3.34Å; P598-A602 PolarHBondContact O-N 3.43Å; D599-A602 PolarHBondContact O-N 3.18Å; I600-A602 VanDerWaalsContact C-N 3.34Å; I600-A602 PolarHBondContact O-N 3.43Å; A602-L606 PolarHBondContact O-N 3.02Å
603V97.3Very high95.4Very high0 Ų050.2 Ų50.20%025%0.245CC..Hα-helixtrans-75.9-36.2177174.80000112.3A554 L557 L558 V583 V587 D599 I600 E601 R605 L606 L607A554-V603 HydrophobicContact CB-CB 4.47Å; A554-V603 HydrophobicContact CB-CG1 4.13Å; L557-V603 HydrophobicContact CB-CG1 4.14Å; L557-V603 HydrophobicContact CD2-CG1 3.68Å; L557-V603 HydrophobicContact CG-CG1 4Å; L558-V603 HydrophobicContact CD1-CB 4.2Å; L558-V603 HydrophobicContact CD1-CG2 4.13Å; L558-V603 HydrophobicContact CD2-CB 4.32Å; L558-V603 HydrophobicContact CD2-CG2 3.43Å; L558-V603 VanDerWaalsContact CD2-CG2 3.43Å; L558-V603 HydrophobicContact CG-CB 3.97Å; L558-V603 HydrophobicContact CG-CG1 4.23Å; L558-V603 HydrophobicContact CG-CG2 3.62Å; V583-V603 HydrophobicContact CG1-CG2 3.93Å; V587-V603 HydrophobicContact CG2-CG2 3.97Å; D599-V603 PolarHBondContact O-N 3.3Å; D599-V603 VanDerWaalsContact O-N 3.08Å; I600-V603 PolarHBondContact O-N 3.44Å; E601-V603 PolarHBondContact O-N 3.11Å; V603-R605 VanDerWaalsContact C-N 3.26Å; V603-R605 PolarHBondContact O-N 3.04Å; V603-L606 WeakPolarHBondContact O-CB 3.47Å; V603-L606 PolarHBondContact O-N 2.77Å; V603-L607 PolarHBondContact O-N 3.38Å
604H97.8Very high95.4Very high15 Ų1553.5 Ų53.57%0.06926%0.257CS..Hα-helixtrans-57.2-42.6172.5-178.3-155.3000110.7E550 A554 I600 E601 L606 L607 L608E550-H604 VanDerWaalsContact CB-NE2 3.34Å; E550-H604 WeakPolarHBondContact CB-NE2 3.31Å; E550-H604 IonicContact OE2-NE2 2.87Å; E550-H604 PolarHBondContact OE2-NE2 3.3Å; A554-H604 HydrophobicContact CB-CB 3.92Å; I600-H604 WeakPolarHBondContact O-CB 3.35Å; I600-H604 PolarHBondContact O-N 2.72Å; E601-H604 PolarHBondContact O-N 3.14Å; H604-L606 VanDerWaalsContact C-N 3.32Å; H604-L606 PolarHBondContact O-N 2.82Å; H604-L607 WeakPolarHBondContact O-CB 3.49Å; H604-L607 PolarHBondContact O-N 3.37Å; H604-L608 WeakPolarHBondContact O-CG 3.44Å; H604-L608 PolarHBondContact O-N 3.05Å
605R95.6Very high95.6Very high128 Ų12851.1 Ų51.148%0.48325%0.252SS..Hα-helixtrans-60.1-36.4173.3-70.4174.8-164.2169.83.8113.8E601 V603 L607 L608 D609E601-R605 VanDerWaalsContact CG-NH2 3.32Å; E601-R605 WeakPolarHBondContact O-CG 3.42Å; E601-R605 PolarHBondContact O-N 3.41Å; E601-R605 IonicContact OE1-CZ 2.8Å; E601-R605 VanDerWaalsContact OE1-CZ 3.31Å; E601-R605 IonicContact OE1-NE 3.69Å; E601-R605 PolarHBondContact OE1-NE 3.47Å; E601-R605 IonicContact OE1-NH2 2.74Å; E601-R605 PolarHBondContact OE1-NH2 3.2Å; V603-R605 VanDerWaalsContact C-N 3.26Å; V603-R605 PolarHBondContact O-N 3.04Å; R605-L607 VanDerWaalsContact C-N 3.26Å; R605-L607 PolarHBondContact O-N 3.29Å; R605-L608 PolarHBondContact O-N 2.88Å; R605-D609 WeakPolarHBondContact O-CB 3.43Å; R605-D609 VanDerWaalsContact O-CG 3.32Å; R605-D609 PolarHBondContact O-N 2.75Å
606L97.1Very high95.9Very high5 Ų543.7 Ų43.73%0.02622%0.22CC..Hα-helixtrans-61.3-38.2174.2-63.5-179.3000111.8L582 V583 V586 A602 V603 H604 Q610 K611 V612L582-L606 HydrophobicContact CD1-CD2 4.34Å; L582-L606 HydrophobicContact CD2-CD1 4.39Å; L582-L606 HydrophobicContact CG-CD1 4.09Å; L582-L606 HydrophobicContact CG-CD2 4.49Å; V583-L606 HydrophobicContact CG2-CD1 4.27Å; V586-L606 HydrophobicContact CG1-CD2 4.39Å; V586-L606 HydrophobicContact CG2-CD1 3.67Å; V586-L606 HydrophobicContact CG2-CD2 4.49Å; V586-L606 HydrophobicContact CG2-CG 4.18Å; A602-L606 PolarHBondContact O-N 3.02Å; V603-L606 WeakPolarHBondContact O-CB 3.47Å; V603-L606 PolarHBondContact O-N 2.77Å; H604-L606 VanDerWaalsContact C-N 3.32Å; H604-L606 PolarHBondContact O-N 2.82Å; L606-Q610 PolarHBondContact O-N 2.76Å; L606-K611 HydrophobicContact CD2-CB 4.36Å; L606-K611 HydrophobicContact CD2-CD 3.57Å; L606-K611 PolarHBondContact O-N 3.38Å; L606-V612 HydrophobicContact CB-CG2 4.45Å
607L97.9Very high96.1Very high3 Ų346.1 Ų46.12%0.01623%0.229CC..Hα-helixtrans-71-42.8177.2-64.4173.8000111.6I326 Q329 L553 A554 L557 V603 H604 R605 D609 Q610 V612I326-L607 HydrophobicContact CD1-CB 4.21Å; I326-L607 HydrophobicContact CD1-CD1 4.16Å; I326-L607 HydrophobicContact CD1-CD2 4.43Å; Q329-L607 HydrophobicContact CB-CD2 4Å; Q329-L607 HydrophobicContact CG-CD2 4.45Å; Q329-L607 PolarHBondContact NE2-O 3.41Å; L553-L607 HydrophobicContact CB-CD1 4.14Å; A554-L607 HydrophobicContact CB-CD1 3.9Å; L557-L607 HydrophobicContact CD2-CD2 4.24Å; V603-L607 PolarHBondContact O-N 3.38Å; H604-L607 WeakPolarHBondContact O-CB 3.49Å; H604-L607 PolarHBondContact O-N 3.37Å; R605-L607 VanDerWaalsContact C-N 3.26Å; R605-L607 PolarHBondContact O-N 3.29Å; L607-D609 VanDerWaalsContact C-N 3.34Å; L607-D609 PolarHBondContact O-N 3.49Å; L607-Q610 WeakPolarHBondContact O-CA 3.26Å; L607-Q610 PolarHBondContact O-N 3.31Å; L607-V612 HydrophobicContact CD2-CB 4.18Å; L607-V612 HydrophobicContact CD2-CG2 3.84Å
608L93.3Very high96.3Very high62 Ų6246.5 Ų46.533%0.32523%0.23SC..Hα-helixtrans-60.1-42.3175.2-68.5177.1000112E550 H604 R605 Q610E550-L608 WeakPolarHBondContact OE2-CD2 3.26Å; H604-L608 WeakPolarHBondContact O-CG 3.44Å; H604-L608 PolarHBondContact O-N 3.05Å; R605-L608 PolarHBondContact O-N 2.88Å; L608-Q610 PolarHBondContact O-N 3.22Å
609D94.7Very high96.4Very high75 Ų7546.1 Ų46.140%0.40122%0.221SC..THydrogen-bonded Turntrans-73.9-4.8175.9-71.8-15.2000113.5R605 L607 K611 K614R605-D609 WeakPolarHBondContact O-CB 3.43Å; R605-D609 VanDerWaalsContact O-CG 3.32Å; R605-D609 PolarHBondContact O-N 2.75Å; L607-D609 VanDerWaalsContact C-N 3.34Å; L607-D609 PolarHBondContact O-N 3.49Å; D609-K611 HydrophobicContact CB-CD 3.98Å; D609-K611 HydrophobicContact CB-CG 3.84Å; D609-K611 PolarHBondContact O-N 2.67Å; D609-K611 WeakPolarHBondContact OD2-CE 3.49Å; D609-K611 IonicContact OD2-NZ 3.64Å; D609-K611 PolarHBondContact OD2-NZ 2.88Å; D609-K614 PolarHBondContact O-NZ 3.28Å
610Q97.6Very high96.4Very high55 Ų5545.2 Ų45.226%0.25722%0.216SC..THydrogen-bonded Turntrans56.329.1-174.4-53.5176.621.900113.1A325 L606 L607 L608 V612 W613 K614A325-Q610 HydrophobicContact CB-CG 4.01Å; L606-Q610 PolarHBondContact O-N 2.76Å; L607-Q610 WeakPolarHBondContact O-CA 3.26Å; L607-Q610 PolarHBondContact O-N 3.31Å; L608-Q610 PolarHBondContact O-N 3.22Å; Q610-V612 VanDerWaalsContact C-N 3.33Å; Q610-V612 PolarHBondContact O-N 2.99Å; Q610-W613 HydrophobicContact CB-CB 4.44Å; Q610-W613 PolarHBondContact O-N 3.26Å; Q610-K614 WeakPolarHBondContact O-CD 3.48Å; Q610-K614 VanDerWaalsContact O-CG 3.27Å; Q610-K614 WeakPolarHBondContact O-CG 3.45Å; Q610-K614 PolarHBondContact O-N 3.03Å
611K98.3Very high96.4Very high84 Ų8446.4 Ų46.437%0.36522%0.223SC..Hα-helixtrans-66.9-35.9-178.1-75.5170.5175.3151.20111.5L582 L606 D609 K614 V615L582-K611 HydrophobicContact CD1-CB 4.38Å; L582-K611 HydrophobicContact CD2-CB 3.8Å; L606-K611 HydrophobicContact CD2-CB 4.36Å; L606-K611 HydrophobicContact CD2-CD 3.57Å; L606-K611 PolarHBondContact O-N 3.38Å; D609-K611 HydrophobicContact CB-CD 3.98Å; D609-K611 HydrophobicContact CB-CG 3.84Å; D609-K611 PolarHBondContact O-N 2.67Å; D609-K611 WeakPolarHBondContact OD2-CE 3.49Å; D609-K611 IonicContact OD2-NZ 3.64Å; D609-K611 PolarHBondContact OD2-NZ 2.88Å; K611-K614 PolarHBondContact O-N 3.25Å; K611-V615 WeakPolarHBondContact O-CG2 3.44Å; K611-V615 PolarHBondContact O-N 3.45Å
612V98.6Very high96.4Very high0 Ų048.5 Ų48.50%023%0.231CC..Hα-helixtrans-62.9-46.7176.4178.20000110.3Q329 I332 L557 V579 L582 L606 L607 Q610 V615 A616Q329-V612 HydrophobicContact CG-CB 4.4Å; I332-V612 HydrophobicContact CB-CG1 4.19Å; I332-V612 HydrophobicContact CD1-CG1 4.15Å; I332-V612 HydrophobicContact CG2-CG1 3.75Å; L557-V612 HydrophobicContact CD2-CG2 3.74Å; V579-V612 HydrophobicContact CG1-CG1 3.89Å; V579-V612 HydrophobicContact CG2-CG1 4.32Å; L582-V612 HydrophobicContact CD2-CG2 4.1Å; L606-V612 HydrophobicContact CB-CG2 4.45Å; L607-V612 HydrophobicContact CD2-CB 4.18Å; L607-V612 HydrophobicContact CD2-CG2 3.84Å; Q610-V612 VanDerWaalsContact C-N 3.33Å; Q610-V612 PolarHBondContact O-N 2.99Å; V612-V615 PolarHBondContact O-N 3.42Å; V612-A616 PolarHBondContact O-N 2.68Å
613W98.4Very high96.2Very high27 Ų2748.8 Ų48.810%0.10223%0.228CC..Hα-helixtrans-58.9-50.1173.7176.1-114.6000112.1Q328 Q329 I332 Q610 V615 A616 K617 I620Q328-W613 HydrophobicContact CB-CD2 4.13Å; Q328-W613 HydrophobicContact CB-CE3 3.7Å; Q328-W613 HydrophobicContact CB-CH2 4.45Å; Q328-W613 HydrophobicContact CB-CZ3 3.88Å; Q328-W613 HydrophobicContact CG-CE3 4.46Å; Q328-W613 HydrophobicContact CG-CH2 4.4Å; Q328-W613 HydrophobicContact CG-CZ3 4.29Å; Q329-W613 HydrophobicContact CG-CB 3.73Å; I332-W613 HydrophobicContact CD1-CE3 3.84Å; Q610-W613 HydrophobicContact CB-CB 4.44Å; Q610-W613 PolarHBondContact O-N 3.26Å; W613-V615 PolarHBondContact O-N 2.56Å; W613-A616 PolarHBondContact O-N 2.66Å; W613-A616 VanDerWaalsContact O-N 3.13Å; W613-K617 HydrophobicContact CD2-CB 4.43Å; W613-K617 HydrophobicContact CZ2-CB 4.35Å; W613-K617 HydrophobicContact CZ2-CD 4.29Å; W613-K617 HydrophobicContact CZ2-CG 3.92Å; W613-K617 VanDerWaalsContact O-CB 3.27Å; W613-K617 WeakPolarHBondContact O-CB 3.43Å; W613-K617 PolarHBondContact O-N 3.3Å; W613-I620 HydrophobicContact CE3-CD1 4.32Å; W613-I620 HydrophobicContact CH2-CD1 3.98Å; W613-I620 HydrophobicContact CZ3-CD1 3.55Å
614K98.4Very high95.6Very high130 Ų13052.3 Ų52.357%0.56524%0.244SC*.Hα-helixtrans-58.7-33.2-178.9-72.9164.8-177.2162.40113.2D609 Q610 K611 P618D609-K614 PolarHBondContact O-NZ 3.28Å; Q610-K614 WeakPolarHBondContact O-CD 3.48Å; Q610-K614 VanDerWaalsContact O-CG 3.27Å; Q610-K614 WeakPolarHBondContact O-CG 3.45Å; Q610-K614 PolarHBondContact O-N 3.03Å; K611-K614 PolarHBondContact O-N 3.25Å; K614-P618 WeakPolarHBondContact O-CD 3.28Å
615V98.1Very high94.9Very high41 Ų4156.6 Ų56.625%0.24827%0.272CS..Hα-helixtrans-71.7-41.9176.7166.10000111.9K578 V579 L582 K611 V612 W613K578-V615 HydrophobicContact CB-CG1 3.49Å; K578-V615 VanDerWaalsContact CB-CG1 3.49Å; V579-V615 HydrophobicContact CG2-CG1 4.08Å; L582-V615 HydrophobicContact CB-CG2 4.49Å; L582-V615 HydrophobicContact CD2-CG2 3.96Å; K611-V615 WeakPolarHBondContact O-CG2 3.44Å; K611-V615 PolarHBondContact O-N 3.45Å; V612-V615 PolarHBondContact O-N 3.42Å; W613-V615 PolarHBondContact O-N 2.56Å
616A97.8Very high94.2Very high0 Ų056.1 Ų56.10%028%0.275CS..Hα-helixtrans-82.4-31.8-177.300000113.6I332 L371 V612 W613 P618 Y619 I620I332-A616 HydrophobicContact CD1-CB 3.45Å; I332-A616 VanDerWaalsContact CD1-CB 3.45Å; I332-A616 HydrophobicContact CG1-CB 3.94Å; I332-A616 HydrophobicContact CG2-CB 4.37Å; L371-A616 HydrophobicContact CD2-CB 4.1Å; V612-A616 PolarHBondContact O-N 2.68Å; W613-A616 PolarHBondContact O-N 2.66Å; W613-A616 VanDerWaalsContact O-N 3.13Å; A616-P618 VanDerWaalsContact C-CD 3.44Å; A616-Y619 WeakPolarHBondContact O-CB 3.37Å; A616-Y619 PolarHBondContact O-N 3.42Å; A616-I620 HydrophobicContact CB-CD1 4.32Å; A616-I620 PolarHBondContact O-N 3.1Å
617K97.4Very high92.9Very high76 Ų7665.6 Ų65.633%0.3331%0.312SS..Hα-helixtrans-50.3-44.4-173.1-171.8-168.9-169.9-49.60114.2W613 Y619 I620 D621W613-K617 HydrophobicContact CD2-CB 4.43Å; W613-K617 HydrophobicContact CZ2-CB 4.35Å; W613-K617 HydrophobicContact CZ2-CD 4.29Å; W613-K617 HydrophobicContact CZ2-CG 3.92Å; W613-K617 VanDerWaalsContact O-CB 3.27Å; W613-K617 WeakPolarHBondContact O-CB 3.43Å; W613-K617 PolarHBondContact O-N 3.3Å; K617-Y619 PolarHBondContact O-N 3.12Å; K617-I620 PolarHBondContact O-N 3Å; K617-I620 VanDerWaalsContact O-N 3.12Å; K617-D621 IonicContact NZ-OD1 3.22Å; K617-D621 PolarHBondContact NZ-OD1 3.25Å; K617-D621 IonicContact NZ-OD2 3.49Å; K617-D621 PolarHBondContact NZ-OD2 3.02Å; K617-D621 WeakPolarHBondContact O-CB 3.46Å; K617-D621 VanDerWaalsContact O-CG 3.29Å; K617-D621 PolarHBondContact O-N 3.16Å
618P97Very high91.7Very high78 Ų7866.6 Ų66.651%0.50632%0.317SS..Hα-helixtrans-58.6-32.3179.2-25.535.8000113.7K614 A616 K622K614-P618 WeakPolarHBondContact O-CD 3.28Å; A616-P618 VanDerWaalsContact C-CD 3.44Å; P618-K622 VanDerWaalsContact O-CB 3.25Å; P618-K622 WeakPolarHBondContact O-CB 3.44Å; P618-K622 PolarHBondContact O-N 2.83Å; P618-K622 VanDerWaalsContact O-N 3.16Å
619Y95.8Very high90.9Very high55 Ų5568.2 Ų68.222%0.21633%0.331CS..Hα-helixtrans-75.5-40.8177.3-58.7-85.8000111.4H377 T574 P575 K578 A616 K617 K622 Y623H377-Y619 AromaticContact CE1-CD1 3.82Å; H377-Y619 AromaticContact NE2-CD1 3.71Å; T574-Y619 HydrophobicContact CG2-CE1 3.99Å; P575-Y619 HydrophobicContact CB-CD1 4.17Å; P575-Y619 HydrophobicContact CB-CD2 3.76Å; P575-Y619 HydrophobicContact CB-CE2 4.26Å; P575-Y619 HydrophobicContact CB-CG 3.72Å; P575-Y619 HydrophobicContact CG-CG 4.46Å; K578-Y619 HydrophobicContact CG-CE2 4.4Å; A616-Y619 WeakPolarHBondContact O-CB 3.37Å; A616-Y619 PolarHBondContact O-N 3.42Å; K617-Y619 PolarHBondContact O-N 3.12Å; Y619-K622 PolarHBondContact O-N 2.84Å; Y619-Y623 PolarHBondContact O-N 3.29Å; Y619-Y623 VanDerWaalsContact O-N 3.07Å
620I95Very high90.3Very high2 Ų266.9 Ų66.91%0.0132%0.322CS..Hα-helixtrans-62.8-49.5175.8-58172.3000110.6R367 S370 L371 W613 A616 K617 K622 Y623 Q624R367-I620 HydrophobicContact CG-CD1 4.45Å; R367-I620 HydrophobicContact CG-CG2 4.2Å; S370-I620 WeakPolarHBondContact OG-CG1 3.31Å; L371-I620 HydrophobicContact CD1-CD1 4.46Å; L371-I620 HydrophobicContact CD2-CD1 4.47Å; L371-I620 HydrophobicContact CD2-CG1 4.07Å; L371-I620 HydrophobicContact CG-CG1 4.37Å; W613-I620 HydrophobicContact CE3-CD1 4.32Å; W613-I620 HydrophobicContact CH2-CD1 3.98Å; W613-I620 HydrophobicContact CZ3-CD1 3.55Å; A616-I620 HydrophobicContact CB-CD1 4.32Å; A616-I620 PolarHBondContact O-N 3.1Å; K617-I620 PolarHBondContact O-N 3Å; K617-I620 VanDerWaalsContact O-N 3.12Å; I620-K622 VanDerWaalsContact C-N 3.31Å; I620-K622 PolarHBondContact O-N 3.26Å; I620-Y623 WeakPolarHBondContact O-CB 3.37Å; I620-Y623 PolarHBondContact O-N 3.16Å; I620-Q624 PolarHBondContact O-N 3.48Å; I620-Q624 VanDerWaalsContact O-N 3.14Å
621D94.3Very high89.4Confident54 Ų5465.2 Ų65.229%0.28932%0.317SS..Hα-helixtrans-60.8-41.5179.3-68-14.8000111.4K617 Q624 T625K617-D621 IonicContact NZ-OD1 3.22Å; K617-D621 PolarHBondContact NZ-OD1 3.25Å; K617-D621 IonicContact NZ-OD2 3.49Å; K617-D621 PolarHBondContact NZ-OD2 3.02Å; K617-D621 WeakPolarHBondContact O-CB 3.46Å; K617-D621 VanDerWaalsContact O-CG 3.29Å; K617-D621 PolarHBondContact O-N 3.16Å; D621-Q624 PolarHBondContact O-N 3.31Å; D621-T625 WeakPolarHBondContact O-CB 3.45Å; D621-T625 PolarHBondContact O-N 3.07Å; D621-T625 PolarHBondContact O-OG1 3.45Å
622K91.4Very high88.6Confident107 Ų10766.1 Ų66.147%0.46532%0.318SS..Hα-helixtrans-62.4-44.5178.4-173.7179.1-179.3179.40111.4P618 Y619 I620 Q624 T625 E626 I628P618-K622 VanDerWaalsContact O-CB 3.25Å; P618-K622 WeakPolarHBondContact O-CB 3.44Å; P618-K622 PolarHBondContact O-N 2.83Å; P618-K622 VanDerWaalsContact O-N 3.16Å; Y619-K622 PolarHBondContact O-N 2.84Å; I620-K622 VanDerWaalsContact C-N 3.31Å; I620-K622 PolarHBondContact O-N 3.26Å; K622-Q624 VanDerWaalsContact C-N 3.3Å; K622-Q624 PolarHBondContact O-N 2.68Å; K622-T625 PolarHBondContact O-N 2.78Å; K622-E626 WeakPolarHBondContact CE-OE1 3.37Å; K622-E626 WeakPolarHBondContact CE-OE2 3.22Å; K622-E626 HydrophobicContact CG-CG 4.17Å; K622-E626 IonicContact NZ-OE2 2.62Å; K622-E626 WeakPolarHBondContact O-CB 3.25Å; K622-E626 PolarHBondContact O-N 2.89Å; K622-I628 HydrophobicContact CG-CD1 4.48Å
623Y88.8Confident87.4Confident27 Ų2767 Ų6711%0.10632%0.324CS..Hα-helixtrans-59-41.1176.3-171.6-86.5000112.2R369 S370 Y619 I620 I628R369-Y623 HydrophobicContact CB-CE1 4.43Å; S370-Y623 VanDerWaalsContact CB-CB 3.47Å; Y619-Y623 PolarHBondContact O-N 3.29Å; Y619-Y623 VanDerWaalsContact O-N 3.07Å; I620-Y623 WeakPolarHBondContact O-CB 3.37Å; I620-Y623 PolarHBondContact O-N 3.16Å; Y623-I628 HydrophobicContact CD2-CB 4.14Å; Y623-I628 HydrophobicContact CD2-CD1 4.46Å; Y623-I628 HydrophobicContact CD2-CG2 4.34Å; Y623-I628 HydrophobicContact CE2-CB 4.33Å; Y623-I628 HydrophobicContact CE2-CG2 4.31Å
624Q85.3Confident86.1Confident75 Ų7569.1 Ų69.135%0.3534%0.337SS..Hα-helixtrans-69.7-45177.1-71.2-178.8-20.100113.1L366 I620 D621 K622L366-Q624 HydrophobicContact CD1-CG 4.13Å; L366-Q624 HydrophobicContact CD2-CG 3.66Å; L366-Q624 HydrophobicContact CG-CG 4.47Å; I620-Q624 PolarHBondContact O-N 3.48Å; I620-Q624 VanDerWaalsContact O-N 3.14Å; D621-Q624 PolarHBondContact O-N 3.31Å; K622-Q624 VanDerWaalsContact C-N 3.3Å; K622-Q624 PolarHBondContact O-N 2.68Å
625T82Confident84.6Confident105 Ų10564.1 Ų64.164%0.64432%0.318SS*.Hα-helixtrans-80.3-36-168.6-50.20000112.6D621 K622 Y627D621-T625 WeakPolarHBondContact O-CB 3.45Å; D621-T625 PolarHBondContact O-N 3.07Å; D621-T625 PolarHBondContact O-OG1 3.45Å; K622-T625 PolarHBondContact O-N 2.78Å; T625-Y627 VanDerWaalsContact C-N 3.27Å; T625-Y627 PolarHBondContact O-N 3.09Å
626E80.3Confident83.1Confident117 Ų11764.8 Ų64.855%0.54732%0.324SS..THydrogen-bonded Turntrans-85.75.1-176.5-65.4-176.6-178.800113.2K622 I628K622-E626 WeakPolarHBondContact CE-OE1 3.37Å; K622-E626 WeakPolarHBondContact CE-OE2 3.22Å; K622-E626 HydrophobicContact CG-CG 4.17Å; K622-E626 IonicContact NZ-OE2 2.62Å; K622-E626 WeakPolarHBondContact O-CB 3.25Å; K622-E626 PolarHBondContact O-N 2.89Å; E626-I628 HydrophobicContact CB-CD1 4.46Å; E626-I628 HydrophobicContact CB-CG1 3.84Å; E626-I628 PolarHBondContact O-N 3.29Å; E626-I628 VanDerWaalsContact O-N 3.15Å
627Y69.8Low81.5Confident204 Ų20466.5 Ų66.580%0.833%0.334SS*.THydrogen-bonded Turntrans44.545.1-174.3-65.9-87.6000111.8T625 P629T625-Y627 VanDerWaalsContact C-N 3.27Å; T625-Y627 PolarHBondContact O-N 3.09Å; Y627-P629 WeakPolarHBondContact O-CD 3.44Å; Y627-P629 VanDerWaalsContact O-N 3.12Å
628I72.9Confident80Confident25 Ų2565.3 Ų65.313%0.12834%0.338CS..PPolyproline II helixtrans-56.5121.7-177-61.5-169000107.7H376 K622 Y623 E626 E630H376-I628 WeakPolarHBondContact CD2-CG2 3.32Å; H376-I628 WeakPolarHBondContact NE2-CG2 3.42Å; K622-I628 HydrophobicContact CG-CD1 4.48Å; Y623-I628 HydrophobicContact CD2-CB 4.14Å; Y623-I628 HydrophobicContact CD2-CD1 4.46Å; Y623-I628 HydrophobicContact CD2-CG2 4.34Å; Y623-I628 HydrophobicContact CE2-CB 4.33Å; Y623-I628 HydrophobicContact CE2-CG2 4.31Å; E626-I628 HydrophobicContact CB-CD1 4.46Å; E626-I628 HydrophobicContact CB-CG1 3.84Å; E626-I628 PolarHBondContact O-N 3.29Å; E626-I628 VanDerWaalsContact O-N 3.15Å; I628-E630 PolarHBondContact O-N 3.15Å
629P76.4Confident78.7Confident95 Ų9570.2 Ų70.262%0.61735%0.352SS*.PPolyproline II helixtrans-54.5132.8-179.8-26.534.6000110.3Y627 S631Y627-P629 WeakPolarHBondContact O-CD 3.44Å; Y627-P629 VanDerWaalsContact O-N 3.12Å; P629-S631 PolarHBondContact O-N 3.4Å; P629-S631 VanDerWaalsContact O-N 3.09Å
630E82.7Confident77.4Confident47 Ų4771.1 Ų71.122%0.2237%0.366CS..PPolyproline II helixtrans-60.3117.9178.3179.4176.4-152.800109.7D349 S350 R369 I628 R632D349-E630 WeakPolarHBondContact CA-OE1 3.3Å; S350-E630 WeakPolarHBondContact CB-OE2 3.48Å; S350-E630 PolarHBondContact N-OE1 3.44Å; S350-E630 PolarHBondContact OG-OE2 3.41Å; R369-E630 WeakPolarHBondContact CD-OE1 3.37Å; R369-E630 IonicContact NE-OE1 3.38Å; I628-E630 PolarHBondContact O-N 3.15Å; E630-R632 HydrophobicContact CG-CG 4.2Å; E630-R632 IonicContact OE2-CZ 3.47Å; E630-R632 IonicContact OE2-NE 3.18Å; E630-R632 PolarHBondContact OE2-NE 3.37Å; E630-R632 IonicContact OE2-NH2 3.75Å; E630-R632 PolarHBondContact OE2-NH2 2.88Å
631S78.9Confident76.2Confident21 Ų2178.5 Ų78.515%0.14741%0.405CS..PPolyproline II helixtrans-73.5129172.1-169.90000108.8D375 P629 P633D375-S631 VanDerWaalsContact CG-OG 3.28Å; D375-S631 PolarHBondContact N-OG 2.9Å; D375-S631 WeakPolarHBondContact OD2-CB 3.48Å; D375-S631 PolarHBondContact OD2-OG 3.03Å; P629-S631 PolarHBondContact O-N 3.4Å; P629-S631 VanDerWaalsContact O-N 3.09Å; S631-P633 WeakPolarHBondContact O-CD 3.42Å
632R81.9Confident74.8Confident103 Ų10382 Ų8239%0.38942%0.423SS..  trans-118.364177.6-65.2-171.9-177.3-142.39.9110K346 D349 D351 E630K346-R632 PolarHBondContact NZ-O 3.31Å; D349-R632 VanDerWaalsContact CG-NH1 3.25Å; D349-R632 IonicContact OD1-CZ 3.65Å; D349-R632 IonicContact OD1-NH1 3.6Å; D349-R632 PolarHBondContact OD1-NH1 3.28Å; D349-R632 IonicContact OD1-NH2 2.75Å; D349-R632 PolarHBondContact OD1-NH2 3.34Å; D349-R632 IonicContact OD2-CZ 3.54Å; D349-R632 VanDerWaalsContact OD2-CZ 3.24Å; D349-R632 IonicContact OD2-NE 3.02Å; D349-R632 IonicContact OD2-NH1 2.74Å; D349-R632 PolarHBondContact OD2-NH1 3.3Å; D351-R632 VanDerWaalsContact CG-NH2 3.28Å; D351-R632 IonicContact OD1-NH2 2.71Å; D351-R632 IonicContact OD2-CZ 3.52Å; D351-R632 IonicContact OD2-NH1 2.84Å; D351-R632 PolarHBondContact OD2-NH1 2.83Å; D351-R632 IonicContact OD2-NH2 3.58Å; D351-R632 PolarHBondContact OD2-NH2 2.9Å; E630-R632 HydrophobicContact CG-CG 4.2Å; E630-R632 IonicContact OE2-CZ 3.47Å; E630-R632 IonicContact OE2-NE 3.18Å; E630-R632 PolarHBondContact OE2-NE 3.37Å; E630-R632 IonicContact OE2-NH2 3.75Å; E630-R632 PolarHBondContact OE2-NH2 2.88Å
633P72.8Confident72.9Confident19 Ų1982.2 Ų82.212%0.12344%0.436CS..  trans-52.9147.1-176.116.7-27.7000111.9K346 S631 S635K346-P633 WeakPolarHBondContact CE-O 3.35Å; K346-P633 PolarHBondContact NZ-O 2.96Å; S631-P633 WeakPolarHBondContact O-CD 3.42Å; P633-S635 PolarHBondContact O-N 3.39Å
634N70.7Confident71.2Confident70 Ų7085.2 Ų85.237%0.37446%0.459SS..  trans-62.3139.4172.8-71.9-37.8000110.1R386 P644R386-N634 PolarHBondContact NH1-O 3.01Å; N634-P644 WeakPolarHBondContact ND2-CB 3.1Å
635S68.3Low69.7Low25 Ų2585.7 Ų85.718%0.17548%0.475CS..  trans-149.3139.2-1791760000110.3T344 P633 T637 A638T344-S635 PolarHBondContact OG1-OG 2.9Å; P633-S635 PolarHBondContact O-N 3.39Å; S635-T637 PolarHBondContact O-N 2.7Å; S635-T637 PolarHBondContact OG-N 3.4Å; S635-T637 PolarHBondContact OG-OG1 3.13Å; S635-A638 PolarHBondContact O-N 3.16Å
636P65.3Low67.7Low56 Ų5685.2 Ų85.236%0.36448%0.476SS..THydrogen-bonded Turntrans-66.3-15177.326.1-35.5000112.1R386 C388 A638R386-P636 WeakPolarHBondContact O-CD 2.9Å; R386-P636 WeakPolarHBondContact O-CG 3.12Å; C388-P636 WeakPolarHBondContact O-CB 3.19Å; C388-P636 VanDerWaalsContact O-CG 3.3Å; C388-P636 WeakPolarHBondContact O-CG 3.47Å; P636-A638 PolarHBondContact O-N 2.8Å
637T65.6Low65.9Low36 Ų3685.2 Ų85.222%0.22149%0.487CS..THydrogen-bonded Turntrans-79.8-0.817471.60000113.1T344 R390 V391 S635T344-T637 HydrophobicContact CG2-CG2 3.85Å; T344-T637 PolarHBondContact OG1-OG1 3.19Å; R390-T637 WeakPolarHBondContact O-CG2 3.16Å; V391-T637 WeakPolarHBondContact O-CA 3.36Å; V391-T637 WeakPolarHBondContact O-CB 3.39Å; V391-T637 WeakPolarHBondContact O-CG2 3.18Å; S635-T637 PolarHBondContact O-N 2.7Å; S635-T637 PolarHBondContact OG-N 3.4Å; S635-T637 PolarHBondContact OG-OG1 3.13Å
638A65.9Low64.4Low50 Ų5086.7 Ų86.741%0.41349%0.491SS..SBendtrans-134.1140.3179.200000110.9K346 S635 P636K346-A638 HydrophobicContact CD-CB 4.1Å; K346-A638 HydrophobicContact CG-CB 4.05Å; S635-A638 PolarHBondContact O-N 3.16Å; P636-A638 PolarHBondContact O-N 2.8Å
639F69.3Low62.7Low182 Ų18294.5 Ų94.580%0.79852%0.524SS*.  trans-103.2135.4177179.7-97000110.3L641F639-L641 HydrophobicContact CE1-CD2 3.83Å; F639-L641 HydrophobicContact CE1-CG 4.05Å; F639-L641 HydrophobicContact CZ-CD2 4.12Å
640S68.4Low61.1Low73 Ų73100.6 Ų100.651%0.5154%0.535SS..  trans-128.7140170.8177.40000109.1D642S640-D642 VanDerWaalsContact C-N 3.32Å; S640-D642 PolarHBondContact OG-N 3.04Å; S640-D642 PolarHBondContact OG-O 3.27Å
641L69.1Low58.8Low158 Ų158103.7 Ų103.783%0.82756%0.556SS**SBendtrans-72-29.7174.1-74.3167.9000111.9F639F639-L641 HydrophobicContact CE1-CD2 3.83Å; F639-L641 HydrophobicContact CE1-CG 4.05Å; F639-L641 HydrophobicContact CZ-CD2 4.12Å
642D66Low56.8Low126 Ų126113.8 Ų113.867%0.67459%0.591SS**SBendtrans-81.8136.7176.2-67.9-39.4000110.5S640S640-D642 VanDerWaalsContact C-N 3.32Å; S640-D642 PolarHBondContact OG-N 3.04Å; S640-D642 PolarHBondContact OG-O 3.27Å
643P51.8Low54.7Low112 Ų112117.3 Ų117.373%0.72761%0.612SS**PPolyproline II helixtrans-59.9145.3178.824.1-31.8000110.4A645P643-A645 PolarHBondContact O-N 3.22Å
644P53Low53.3Low90 Ų90128.8 Ų128.858%0.58466%0.664SS**PPolyproline II helixtrans-55.1129.4179.622.1-32000109.3N634 S646N634-P644 WeakPolarHBondContact ND2-CB 3.1Å; P644-S646 PolarHBondContact O-N 3.05Å
645A52.5Low52.4Low85 Ų85131.7 Ų131.770%0.70268%0.678SS**PPolyproline II helixtrans-51.2121174.900000108.9P643P643-A645 PolarHBondContact O-N 3.22Å
646S40.4Very low51.6Low95 Ų95137.3 Ų137.366%0.66471%0.705SS**PPolyproline II helixtrans-46.4136.4177.61670000109.4P644 R648P644-S646 PolarHBondContact O-N 3.05Å; S646-R648 PolarHBondContact O-N 2.78Å
647P43.3Very low50.8Low117 Ų117141.8 Ų141.876%0.7672%0.723SS**  trans-57.1105.3175.222.9-30.8000107.4K649P647-K649 PolarHBondContact O-N 2.94Å
648R38.1Very low50Low235 Ų235148.1 Ų148.189%0.88775%0.753SS**  trans-60.4113.7170.7-78.6-176.3175.9-178.3-0.1104.7S646 R650S646-R648 PolarHBondContact O-N 2.78Å; R648-R650 PolarHBondContact O-N 2.98Å
649K37.5Very low49Very low190 Ų190154.2 Ų154.283%0.82677%0.774SS**  trans-43.1114.9165.6-85.2179.5173.1177.90106.4P647 V651P647-K649 PolarHBondContact O-N 2.94Å; K649-V651 VanDerWaalsContact C-N 3.29Å; K649-V651 PolarHBondContact O-N 2.81Å
650R42.4Very low47.6Very low223 Ų223152.3 Ų152.384%0.84277%0.773SS**  trans-55.4100169.1-77.7179.9175.2175.1-1.1106.1R648 R652R648-R650 PolarHBondContact O-N 2.98Å; R650-R652 PolarHBondContact O-N 3.2Å; R650-R652 VanDerWaalsContact O-N 3.16Å
651V33.7Very low46.2Very low111 Ų111158 Ų15867%0.67379%0.791SS**  trans-69.7111.4174179.90000105.3K649 H653K649-V651 VanDerWaalsContact C-N 3.29Å; K649-V651 PolarHBondContact O-N 2.81Å; V651-H653 PolarHBondContact O-N 3.16Å
652R37.8Very low44.4Very low233 Ų233158 Ų15888%0.87979%0.789SS**  trans-61.7114.7161.7-85.5-176.4172.8-172.6-2.3106.2R650 E654R650-R652 PolarHBondContact O-N 3.2Å; R650-R652 VanDerWaalsContact O-N 3.16Å; R652-E654 PolarHBondContact O-N 3.47Å
653H37.7Very low42.6Very low177 Ų177160.7 Ų160.782%0.81980%0.798SS**  trans-72.9119.3156.4-78.5-72.8000106.6V651V651-H653 PolarHBondContact O-N 3.16Å
654E42.8Very low41.8Very low260 Ų260165.1 Ų165.1100%1.21581%0.805SS**  trans-63.40168.4-71.3-17715900111.7R652R652-E654 PolarHBondContact O-N 3.47Å

Retrieved 654 of 654 residues in 4972.2 ms (Link to these results)

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