A0A2K5KW56_CERAT Loading...

Histidine ammonia-lyase

AlphaFold DB , UniProt , Accession A0A2K5KW56, Species CERAT (Cercocebus atys, Sooty mangabey), Gene HAL, Length 657 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
1M63.2Low78.9Confident165 Ų16561.6 Ų61.681%0.81331%0.311SS*.  0120.90-75.8178.3177.600107R3 Q18M1-R3 PolarHBondContact O-N 3.34Å; M1-Q18 HydrophobicContact CE-CG 4.27Å; M1-Q18 HydrophobicContact SD-CG 4.15Å
2P69.8Low79.2Confident51 Ų5167.8 Ų67.833%0.33133%0.328SS..  trans-57.6136.8176.222-28.9000109.5Y4 C17P2-Y4 HydrophobicContact CB-CE2 4.15Å; P2-C17 HydrophobicContact CG-CB 4.23Å; P2-C17 PolarHBondContact O-N 2.65Å
3R78.4Confident79.6Confident162 Ų16263.8 Ų63.861%0.61131%0.31SS*.EExtended strand (participates in β ladder)trans-124.3122.7176.4-71.1-179.4177.7173.40106.6M1M1-R3 PolarHBondContact O-N 3.34Å
4Y85.3Confident80.1Confident9 Ų963.7 Ų63.74%0.03532%0.324CS..EExtended strand (participates in β ladder)trans-102143.8174-60.8-79.9000108.9P2 V15 C17 L27 L70 L74P2-Y4 HydrophobicContact CB-CE2 4.15Å; Y4-V15 PolarHBondContact N-O 3.12Å; Y4-V15 VanDerWaalsContact N-O 3.16Å; Y4-V15 PolarHBondContact O-N 3.34Å; Y4-C17 HydrophobicContact CD2-CB 4.42Å; Y4-C17 VanDerWaalsContact CD2-SG 3.54Å; Y4-C17 HydrophobicContact CE2-CB 4.26Å; Y4-L27 HydrophobicContact CD2-CD1 4.24Å; Y4-L27 HydrophobicContact CG-CD1 4.39Å; Y4-L27 HydrophobicContact CG-CD2 4.19Å; Y4-L70 HydrophobicContact CD2-CD1 4.2Å; Y4-L70 HydrophobicContact CE2-CB 4.08Å; Y4-L70 HydrophobicContact CE2-CD1 3.86Å; Y4-L70 HydrophobicContact CE2-CG 4.47Å; Y4-L74 HydrophobicContact CD1-CB 4.27Å; Y4-L74 HydrophobicContact CD1-CD1 3.99Å; Y4-L74 HydrophobicContact CE1-CB 3.72Å; Y4-L74 HydrophobicContact CE1-CD1 4.12Å
5T85.1Confident80.7Confident38 Ų3859.5 Ų59.523%0.23330%0.302CS..EExtended strand (participates in β ladder)trans-105.7116.7178.6-56.40000107.8W12 F79 V80T5-W12 HydrophobicContact CG2-CB 4.39Å; T5-W12 HydrophobicContact CG2-CD2 4.38Å; T5-W12 HydrophobicContact CG2-CE3 3.64Å; T5-W12 HydrophobicContact CG2-CZ3 4.25Å; T5-F79 HydrophobicContact CG2-CD1 3.7Å; T5-F79 HydrophobicContact CG2-CE1 3.84Å; T5-F79 WeakPolarHBondContact O-CA 3.49Å; T5-V80 PolarHBondContact O-N 3.38Å; T5-V80 VanDerWaalsContact O-N 3.15Å
6V90.9Very high80.9Confident0 Ų058.6 Ų58.60%030%0.302CS..EExtended strand (participates in β ladder)trans-117.3126.2-169.4-172.40000110.1V8 L13 V15 L27 A31 V80 V82V6-V8 HydrophobicContact CG1-CG2 4.21Å; V6-L13 PolarHBondContact N-O 3.2Å; V6-L13 PolarHBondContact O-N 3.1Å; V6-V15 HydrophobicContact CB-CG2 4.41Å; V6-V15 HydrophobicContact CG2-CB 4.49Å; V6-V15 HydrophobicContact CG2-CG2 3.86Å; V6-L27 HydrophobicContact CG2-CD1 3.81Å; V6-L27 HydrophobicContact CG2-CD2 4.02Å; V6-L27 HydrophobicContact CG2-CG 3.81Å; V6-A31 HydrophobicContact CB-CB 3.76Å; V6-A31 HydrophobicContact CG1-CB 3.43Å; V6-A31 VanDerWaalsContact CG1-CB 3.43Å; V6-A31 HydrophobicContact CG2-CB 4.19Å; V6-V80 CarbonylContact C-O 3.56Å; V6-V80 VanDerWaalsContact CA-O 3.3Å; V6-V80 WeakPolarHBondContact CA-O 3.18Å; V6-V80 HydrophobicContact CB-CG2 4.32Å; V6-V80 HydrophobicContact CG1-CG2 4.14Å; V6-V80 HydrophobicContact CG2-CG2 3.84Å; V6-V82 HydrophobicContact CG1-CG2 3.47Å; V6-V82 VanDerWaalsContact CG1-CG2 3.47Å
7H85.1Confident81Confident29 Ų2955.3 Ų55.313%0.13429%0.285CS..EExtended strand (participates in β ladder)trans-87.5127.7174.1-172-117.1000110.8G10 E11 W12 V80 E81 V82H7-G10 PolarHBondContact CE1-N 3.09Å; H7-G10 VanDerWaalsContact NE2-C 3.32Å; H7-G10 WeakPolarHBondContact NE2-CA 3.43Å; H7-G10 PolarHBondContact NE2-N 3.05Å; H7-E11 CarbonylContact C-O 3.52Å; H7-E11 VanDerWaalsContact CA-O 3.29Å; H7-E11 WeakPolarHBondContact CA-O 3.2Å; H7-E11 PolarHBondContact CD2-O 2.85Å; H7-W12 HydrophobicContact CB-CD2 4.12Å; H7-W12 HydrophobicContact CB-CE3 3.72Å; H7-W12 HydrophobicContact CB-CH2 3.93Å; H7-W12 HydrophobicContact CB-CZ2 4.24Å; H7-W12 HydrophobicContact CB-CZ3 3.65Å; H7-W12 AromaticContact CD2-CD2 3.95Å; H7-W12 AromaticContact CD2-CE2 3.76Å; H7-W12 AromaticContact CD2-NE1 3.84Å; H7-V80 PolarHBondContact N-O 3.47Å; H7-E81 HydrophobicContact CB-CB 4.2Å; H7-E81 HydrophobicContact CB-CG 4.29Å; H7-E81 IonicContact CE1-OE1 3.11Å; H7-E81 IonicContact ND1-OE1 2.94Å; H7-E81 PolarHBondContact ND1-OE1 3.16Å; H7-V82 PolarHBondContact O-N 2.63Å
8V85.1Confident80.5Confident0 Ų061.3 Ų61.30%031%0.312CS..EExtended strand (participates in β ladder)trans-135.7115.3174.1-169.90000108.8V6 G10 E11 L13 A31 V32 Y35 V82 I84V6-V8 HydrophobicContact CG1-CG2 4.21Å; V8-G10 VanDerWaalsContact C-N 3.31Å; V8-G10 PolarHBondContact O-N 3.01Å; V8-G10 VanDerWaalsContact O-N 3.16Å; V8-E11 PolarHBondContact N-O 3.48Å; V8-E11 PolarHBondContact O-N 2.97Å; V8-L13 HydrophobicContact CB-CD1 4.4Å; V8-L13 HydrophobicContact CG2-CD1 3.96Å; V8-A31 HydrophobicContact CG2-CB 3.86Å; V8-V32 HydrophobicContact CG1-CG2 4.43Å; V8-Y35 HydrophobicContact CB-CD2 4.01Å; V8-Y35 HydrophobicContact CB-CG 4.23Å; V8-Y35 HydrophobicContact CG1-CD1 4.24Å; V8-Y35 HydrophobicContact CG1-CD2 3.97Å; V8-Y35 HydrophobicContact CG1-CE2 4.49Å; V8-Y35 HydrophobicContact CG1-CG 3.83Å; V8-Y35 WeakPolarHBondContact O-CE2 3.44Å; V8-V82 HydrophobicContact CG2-CB 4.1Å; V8-V82 HydrophobicContact CG2-CG2 4.27Å; V8-I84 HydrophobicContact CG1-CD1 4.09Å
9R79.4Confident80.3Confident94 Ų9462.6 Ų62.636%0.35532%0.319SS..THydrogen-bonded Turntrans44.347.5177-72-176.3168.6175.21.4114.7Y35 G43 I84 D87R9-Y35 HydrophobicContact CB-CE2 3.98Å; R9-Y35 WeakPolarHBondContact CB-OH 3.13Å; R9-Y35 WeakPolarHBondContact CD-OH 3.22Å; R9-G43 PolarHBondContact NH1-O 3.49Å; R9-I84 HydrophobicContact CG-CD1 4.39Å; R9-D87 WeakPolarHBondContact CG-OD2 3.16Å; R9-D87 IonicContact CZ-OD1 3.2Å; R9-D87 VanDerWaalsContact CZ-OD1 3.28Å; R9-D87 IonicContact CZ-OD2 3.97Å; R9-D87 IonicContact NE-OD1 2.73Å; R9-D87 PolarHBondContact NE-OD1 3.43Å; R9-D87 IonicContact NE-OD2 3.51Å; R9-D87 PolarHBondContact NE-OD2 2.78Å; R9-D87 IonicContact NH2-OD1 3.75Å; R9-D87 PolarHBondContact NH2-OD1 3.08Å; R9-D87 IonicContact NH2-OD2 3.81Å
10G70.4Confident79.5Confident54 Ų5462.2 Ų62.256%0.55733%0.326SS*.THydrogen-bonded Turntrans92.4-4.9177.300000115.3H7 V8H7-G10 PolarHBondContact CE1-N 3.09Å; H7-G10 VanDerWaalsContact NE2-C 3.32Å; H7-G10 WeakPolarHBondContact NE2-CA 3.43Å; H7-G10 PolarHBondContact NE2-N 3.05Å; V8-G10 VanDerWaalsContact C-N 3.31Å; V8-G10 PolarHBondContact O-N 3.01Å; V8-G10 VanDerWaalsContact O-N 3.16Å
11E74.8Confident79.5Confident76 Ų7663.6 Ų63.636%0.35533%0.331SS..EExtended strand (participates in β ladder)trans-110.5137.9-178.4-65.3-68.4171.400111.7H7 V8 Y35 K39H7-E11 CarbonylContact C-O 3.52Å; H7-E11 VanDerWaalsContact CA-O 3.29Å; H7-E11 WeakPolarHBondContact CA-O 3.2Å; H7-E11 PolarHBondContact CD2-O 2.85Å; V8-E11 PolarHBondContact N-O 3.48Å; V8-E11 PolarHBondContact O-N 2.97Å; E11-Y35 HydrophobicContact CB-CD2 4.27Å; E11-Y35 HydrophobicContact CB-CE2 4.36Å; E11-Y35 HydrophobicContact CG-CD2 4.3Å; E11-Y35 HydrophobicContact CG-CE2 4.01Å; E11-K39 IonicContact OE1-NZ 3.16Å; E11-K39 PolarHBondContact OE1-NZ 2.98Å
12W82.6Confident80.8Confident135 Ų13557.2 Ų57.251%0.51130%0.3SS..EExtended strand (participates in β ladder)trans-98120.2173.2-69.699.8000110.8T5 H7 F79T5-W12 HydrophobicContact CG2-CB 4.39Å; T5-W12 HydrophobicContact CG2-CD2 4.38Å; T5-W12 HydrophobicContact CG2-CE3 3.64Å; T5-W12 HydrophobicContact CG2-CZ3 4.25Å; H7-W12 HydrophobicContact CB-CD2 4.12Å; H7-W12 HydrophobicContact CB-CE3 3.72Å; H7-W12 HydrophobicContact CB-CH2 3.93Å; H7-W12 HydrophobicContact CB-CZ2 4.24Å; H7-W12 HydrophobicContact CB-CZ3 3.65Å; H7-W12 AromaticContact CD2-CD2 3.95Å; H7-W12 AromaticContact CD2-CE2 3.76Å; H7-W12 AromaticContact CD2-NE1 3.84Å; W12-F79 HydrophobicContact CE3-CD1 4.46Å; W12-F79 HydrophobicContact CH2-CB 4.12Å; W12-F79 HydrophobicContact CH2-CD1 4.34Å; W12-F79 HydrophobicContact CZ3-CB 3.96Å; W12-F79 AromaticContact CZ3-CD1 3.9Å; W12-F79 HydrophobicContact CZ3-CD1 3.9Å; W12-F79 HydrophobicContact CZ3-CG 4.34Å
13L85.1Confident82Confident17 Ų1756.7 Ų56.79%0.08930%0.296CS..EExtended strand (participates in β ladder)trans-113.6124.7-176.8-61.7171.6000110.1V6 V8 V15 A31 R34V6-L13 PolarHBondContact N-O 3.2Å; V6-L13 PolarHBondContact O-N 3.1Å; V8-L13 HydrophobicContact CB-CD1 4.4Å; V8-L13 HydrophobicContact CG2-CD1 3.96Å; L13-V15 PolarHBondContact O-N 2.88Å; L13-A31 HydrophobicContact CD1-CB 4.47Å; L13-A31 WeakPolarHBondContact CD1-O 3.23Å; L13-R34 HydrophobicContact CD1-CB 4.17Å
14A86.2Confident82.7Confident62 Ų6249 Ų4951%0.51227%0.267SS..EExtended strand (participates in β ladder)trans-79.9118.7168.400000109.6P16 R34A14-P16 WeakPolarHBondContact O-CD 3.26Å; A14-R34 PolarHBondContact O-NH1 3.38Å
15V89.3Confident83.1Confident0 Ų048.5 Ų48.50%027%0.265CS..EExtended strand (participates in β ladder)trans-110.2103.9178.4-172.90000109.3Y4 V6 L13 C17 W26 L27 E30 A31Y4-V15 PolarHBondContact N-O 3.12Å; Y4-V15 VanDerWaalsContact N-O 3.16Å; Y4-V15 PolarHBondContact O-N 3.34Å; V6-V15 HydrophobicContact CB-CG2 4.41Å; V6-V15 HydrophobicContact CG2-CB 4.49Å; V6-V15 HydrophobicContact CG2-CG2 3.86Å; L13-V15 PolarHBondContact O-N 2.88Å; V15-C17 PolarHBondContact O-N 3.22Å; V15-W26 HydrophobicContact CG1-CH2 4.06Å; V15-W26 HydrophobicContact CG1-CZ3 3.99Å; V15-L27 HydrophobicContact CB-CD1 3.72Å; V15-L27 HydrophobicContact CG1-CD1 3.75Å; V15-L27 HydrophobicContact CG2-CD1 4.21Å; V15-E30 HydrophobicContact CG1-CB 4.19Å; V15-E30 HydrophobicContact CG1-CG 3.58Å; V15-A31 HydrophobicContact CG2-CB 4.14Å
16P84.3Confident83.5Confident46 Ų4650 Ų5030%0.29927%0.266SS..EExtended strand (participates in β ladder)trans-72127.9175.129.6-31000110A14 R34A14-P16 WeakPolarHBondContact O-CD 3.26Å; P16-R34 VanDerWaalsContact CD-NH1 3.25Å
17C82.4Confident83.6Confident2 Ų250 Ų501%0.01427%0.266CS..  trans-105.2122.8176.6-67.10000109.7P2 Y4 V15 L22 W26P2-C17 HydrophobicContact CG-CB 4.23Å; P2-C17 PolarHBondContact O-N 2.65Å; Y4-C17 HydrophobicContact CD2-CB 4.42Å; Y4-C17 VanDerWaalsContact CD2-SG 3.54Å; Y4-C17 HydrophobicContact CE2-CB 4.26Å; V15-C17 PolarHBondContact O-N 3.22Å; C17-L22 HydrophobicContact CB-CD1 4.31Å; C17-W26 VanDerWaalsContact SG-CZ3 3.52Å
18Q71.6Confident84Confident164 Ų16448.6 Ų48.677%0.76626%0.26SS*.  trans-96.8-12.7-179.6-65.9-173.6-8.800112.9M1M1-Q18 HydrophobicContact CE-CG 4.27Å; M1-Q18 HydrophobicContact SD-CG 4.15Å
19D77.1Confident84.5Confident85 Ų8553.7 Ų53.746%0.45528%0.279SS..  trans-132.3131-175.2-177.3-4.4000109.9Q21 L22D19-Q21 PolarHBondContact O-N 2.88Å; D19-Q21 WeakPolarHBondContact OD1-CB 3.41Å; D19-Q21 PolarHBondContact OD1-N 3.24Å; D19-L22 HydrophobicContact CB-CD1 4.09Å; D19-L22 HydrophobicContact CB-CD2 4.5Å; D19-L22 HydrophobicContact CB-CG 3.96Å; D19-L22 WeakPolarHBondContact O-CD1 3.32Å; D19-L22 WeakPolarHBondContact O-CG 3.41Å
20A64.1Low85.2Confident54 Ų5450.7 Ų50.745%0.44627%0.269SS..THydrogen-bonded Turntrans-73.6-14.6179.900000112.9L22A20-L22 VanDerWaalsContact C-N 3.35Å
21Q78.4Confident86.3Confident93 Ų9348.1 Ų48.144%0.43524%0.242SC..THydrogen-bonded Turntrans-88.42.2-179.7-61.6-60.1-60.900114D19 R69D19-Q21 PolarHBondContact O-N 2.88Å; D19-Q21 WeakPolarHBondContact OD1-CB 3.41Å; D19-Q21 PolarHBondContact OD1-N 3.24Å; Q21-R69 VanDerWaalsContact OE1-NH1 3.08Å
22L91.1Very high87.1Confident30 Ų3044.5 Ų44.516%0.15723%0.225CC..  trans-68.8150.5179.4-62.8171000111.2C17 D19 A20 W26 L70C17-L22 HydrophobicContact CB-CD1 4.31Å; D19-L22 HydrophobicContact CB-CD1 4.09Å; D19-L22 HydrophobicContact CB-CD2 4.5Å; D19-L22 HydrophobicContact CB-CG 3.96Å; D19-L22 WeakPolarHBondContact O-CD1 3.32Å; D19-L22 WeakPolarHBondContact O-CG 3.41Å; A20-L22 VanDerWaalsContact C-N 3.35Å; L22-W26 HydrophobicContact CB-CD2 4.18Å; L22-W26 HydrophobicContact CB-CE3 3.96Å; L22-W26 HydrophobicContact CB-CG 4.49Å; L22-W26 HydrophobicContact CD1-CD2 3.97Å; L22-W26 HydrophobicContact CD1-CE3 3.77Å; L22-W26 HydrophobicContact CD1-CH2 3.72Å; L22-W26 HydrophobicContact CD1-CZ2 3.86Å; L22-W26 HydrophobicContact CD1-CZ3 3.68Å; L22-W26 HydrophobicContact CD2-CD2 3.82Å; L22-W26 HydrophobicContact CD2-CE3 4.36Å; L22-W26 HydrophobicContact CD2-CG 3.9Å; L22-W26 HydrophobicContact CG-CD2 4.2Å; L22-W26 HydrophobicContact CG-CE3 4.24Å; L22-L70 HydrophobicContact CB-CD1 3.87Å; L22-L70 WeakPolarHBondContact O-CG 3.27Å; L22-L70 PolarHBondContact O-N 2.99Å
23T94.6Very high87.7Confident40 Ų4043 Ų4325%0.24522%0.22CC..BIsolated β-bridgetrans-104.8164.3-176.971.70000112.8G25 W26 L27 N66 D68T23-G25 PolarHBondContact O-N 3.03Å; T23-G25 PolarHBondContact OG1-N 3.44Å; T23-W26 WeakPolarHBondContact O-CB 3.41Å; T23-W26 PolarHBondContact O-N 2.81Å; T23-W26 PolarHBondContact OG1-N 2.98Å; T23-L27 PolarHBondContact O-N 2.96Å; T23-N66 WeakPolarHBondContact CB-O 3.49Å; T23-N66 PolarHBondContact OG1-O 3.02Å; T23-D68 CarbonylContact C-O 3.3Å; T23-D68 WeakPolarHBondContact CA-O 3.32Å; T23-D68 VanDerWaalsContact CB-O 3.31Å; T23-D68 WeakPolarHBondContact CB-O 3.16Å
24V93.4Very high88Confident0 Ų045.8 Ų45.80%023%0.229CC..Hα-helixtrans-52.8-43.6171.1172.80000111.4W26 L27 G28 V55 L64 D65 D68 L70 A73V24-W26 VanDerWaalsContact C-N 3.31Å; V24-W26 PolarHBondContact O-N 3.42Å; V24-L27 WeakPolarHBondContact O-CB 3.46Å; V24-L27 PolarHBondContact O-N 3.5Å; V24-G28 PolarHBondContact O-N 2.84Å; V24-V55 HydrophobicContact CG1-CB 3.54Å; V24-V55 HydrophobicContact CG1-CG1 3.92Å; V24-V55 HydrophobicContact CG1-CG2 3.76Å; V24-L64 HydrophobicContact CG1-CB 3.77Å; V24-L64 HydrophobicContact CG1-CD1 4.32Å; V24-L64 HydrophobicContact CG2-CB 4.27Å; V24-L64 HydrophobicContact CG2-CD1 4.48Å; V24-D65 WeakPolarHBondContact CB-O 3.47Å; V24-D68 HydrophobicContact CG2-CB 4.11Å; V24-D68 PolarHBondContact N-O 3.39Å; V24-L70 HydrophobicContact CG2-CD2 4.14Å; V24-A73 HydrophobicContact CG2-CB 3.76Å
25G93.9Very high88.1Confident0 Ų043.8 Ų43.80%021%0.209CC..Hα-helixtrans-65.1-32.6177.600000113.4T23 R29 N66T23-G25 PolarHBondContact O-N 3.03Å; T23-G25 PolarHBondContact OG1-N 3.44Å; G25-R29 PolarHBondContact O-N 3.38Å; G25-R29 VanDerWaalsContact O-N 3.14Å; G25-N66 PolarHBondContact N-O 3.39Å
26W94.4Very high87.9Confident69 Ų6944.8 Ų44.826%0.26121%0.213SC..Hα-helixtrans-66.9-45.3171.6175.995.1000111.3V15 C17 L22 T23 V24 G28 R29 E30 L70V15-W26 HydrophobicContact CG1-CH2 4.06Å; V15-W26 HydrophobicContact CG1-CZ3 3.99Å; C17-W26 VanDerWaalsContact SG-CZ3 3.52Å; L22-W26 HydrophobicContact CB-CD2 4.18Å; L22-W26 HydrophobicContact CB-CE3 3.96Å; L22-W26 HydrophobicContact CB-CG 4.49Å; L22-W26 HydrophobicContact CD1-CD2 3.97Å; L22-W26 HydrophobicContact CD1-CE3 3.77Å; L22-W26 HydrophobicContact CD1-CH2 3.72Å; L22-W26 HydrophobicContact CD1-CZ2 3.86Å; L22-W26 HydrophobicContact CD1-CZ3 3.68Å; L22-W26 HydrophobicContact CD2-CD2 3.82Å; L22-W26 HydrophobicContact CD2-CE3 4.36Å; L22-W26 HydrophobicContact CD2-CG 3.9Å; L22-W26 HydrophobicContact CG-CD2 4.2Å; L22-W26 HydrophobicContact CG-CE3 4.24Å; T23-W26 WeakPolarHBondContact O-CB 3.41Å; T23-W26 PolarHBondContact O-N 2.81Å; T23-W26 PolarHBondContact OG1-N 2.98Å; V24-W26 VanDerWaalsContact C-N 3.31Å; V24-W26 PolarHBondContact O-N 3.42Å; W26-G28 VanDerWaalsContact C-N 3.31Å; W26-G28 PolarHBondContact O-N 3.44Å; W26-R29 PolarHBondContact O-N 2.97Å; W26-E30 HydrophobicContact CD2-CB 4.5Å; W26-E30 HydrophobicContact CH2-CB 4.16Å; W26-E30 HydrophobicContact CH2-CG 3.98Å; W26-E30 HydrophobicContact CZ2-CB 4.15Å; W26-E30 HydrophobicContact CZ2-CG 4.1Å; W26-E30 HydrophobicContact CZ3-CB 4.34Å; W26-E30 WeakPolarHBondContact O-CB 3.41Å; W26-E30 PolarHBondContact O-N 3.21Å; W26-L70 HydrophobicContact CE3-CD1 4.45Å
27L93.4Very high88.1Confident0 Ų050.9 Ų50.90%024%0.235CC..Hα-helixtrans-59.5-44.4-180179.269.8000111Y4 V6 V15 T23 V24 E30 A31 L70 L74 V80Y4-L27 HydrophobicContact CD2-CD1 4.24Å; Y4-L27 HydrophobicContact CG-CD1 4.39Å; Y4-L27 HydrophobicContact CG-CD2 4.19Å; V6-L27 HydrophobicContact CG2-CD1 3.81Å; V6-L27 HydrophobicContact CG2-CD2 4.02Å; V6-L27 HydrophobicContact CG2-CG 3.81Å; V15-L27 HydrophobicContact CB-CD1 3.72Å; V15-L27 HydrophobicContact CG1-CD1 3.75Å; V15-L27 HydrophobicContact CG2-CD1 4.21Å; T23-L27 PolarHBondContact O-N 2.96Å; V24-L27 WeakPolarHBondContact O-CB 3.46Å; V24-L27 PolarHBondContact O-N 3.5Å; L27-E30 PolarHBondContact O-N 3.02Å; L27-A31 WeakPolarHBondContact O-CB 3.41Å; L27-A31 PolarHBondContact O-N 3.28Å; L27-L70 HydrophobicContact CB-CD1 4.19Å; L27-L70 HydrophobicContact CB-CD2 3.8Å; L27-L70 HydrophobicContact CD2-CD2 3.75Å; L27-L70 HydrophobicContact CG-CD2 4.34Å; L27-L74 HydrophobicContact CD2-CD1 3.87Å; L27-V80 HydrophobicContact CD2-CG2 3.8Å
28G93.6Very high87.9Confident0 Ų056 Ų560%026%0.263CS..Hα-helixtrans-61.5-47.6175.500000112.8V24 W26 E30 A31 V32V24-G28 PolarHBondContact O-N 2.84Å; W26-G28 VanDerWaalsContact C-N 3.31Å; W26-G28 PolarHBondContact O-N 3.44Å; G28-E30 PolarHBondContact O-N 3.19Å; G28-A31 PolarHBondContact O-N 2.91Å; G28-V32 WeakPolarHBondContact O-CG2 3.25Å; G28-V32 PolarHBondContact O-N 3.44Å
29R94.9Very high87.9Confident107 Ų10750.8 Ų50.840%0.40424%0.237SC..Hα-helixtrans-61-43.4176.6-85.7-174.7-71.9-91.90.6112.7G25 W26 V32 R33 F53G25-R29 PolarHBondContact O-N 3.38Å; G25-R29 VanDerWaalsContact O-N 3.14Å; W26-R29 PolarHBondContact O-N 2.97Å; R29-V32 PolarHBondContact O-N 2.93Å; R29-R33 WeakPolarHBondContact O-CB 3.27Å; R29-R33 PolarHBondContact O-N 2.89Å; R29-F53 HydrophobicContact CB-CE1 4.43Å; R29-F53 HydrophobicContact CB-CZ 4.36Å; R29-F53 HydrophobicContact CG-CE1 3.59Å; R29-F53 HydrophobicContact CG-CZ 3.73Å
30E94.6Very high87.1Confident30 Ų3053.3 Ų53.314%0.1426%0.258CS..Hα-helixtrans-67.9-37.4179.2178.759.6-166.600111.5V15 W26 L27 G28 R33 R34V15-E30 HydrophobicContact CG1-CB 4.19Å; V15-E30 HydrophobicContact CG1-CG 3.58Å; W26-E30 HydrophobicContact CD2-CB 4.5Å; W26-E30 HydrophobicContact CH2-CB 4.16Å; W26-E30 HydrophobicContact CH2-CG 3.98Å; W26-E30 HydrophobicContact CZ2-CB 4.15Å; W26-E30 HydrophobicContact CZ2-CG 4.1Å; W26-E30 HydrophobicContact CZ3-CB 4.34Å; W26-E30 WeakPolarHBondContact O-CB 3.41Å; W26-E30 PolarHBondContact O-N 3.21Å; L27-E30 PolarHBondContact O-N 3.02Å; G28-E30 PolarHBondContact O-N 3.19Å; E30-R33 PolarHBondContact O-N 2.73Å; E30-R33 IonicContact OE2-CZ 3.23Å; E30-R33 IonicContact OE2-NH1 2.66Å; E30-R33 PolarHBondContact OE2-NH1 2.88Å; E30-R34 WeakPolarHBondContact O-CB 3.29Å; E30-R34 VanDerWaalsContact O-CG 3.27Å; E30-R34 WeakPolarHBondContact O-CG 3.39Å; E30-R34 PolarHBondContact O-N 3.47Å; E30-R34 IonicContact OE1-CZ 2.9Å; E30-R34 IonicContact OE1-NE 2.71Å; E30-R34 PolarHBondContact OE1-NE 2.64Å; E30-R34 IonicContact OE1-NH2 3.96Å; E30-R34 PolarHBondContact OE1-NH2 2.79Å
31A93.3Very high87.4Confident0 Ų055.7 Ų55.70%026%0.264CS..Hα-helixtrans-62.9-47.1172.500000111.6V6 V8 L13 V15 L27 G28 R33 R34 Y35 V82V6-A31 HydrophobicContact CB-CB 3.76Å; V6-A31 HydrophobicContact CG1-CB 3.43Å; V6-A31 VanDerWaalsContact CG1-CB 3.43Å; V6-A31 HydrophobicContact CG2-CB 4.19Å; V8-A31 HydrophobicContact CG2-CB 3.86Å; L13-A31 HydrophobicContact CD1-CB 4.47Å; L13-A31 WeakPolarHBondContact CD1-O 3.23Å; V15-A31 HydrophobicContact CG2-CB 4.14Å; L27-A31 WeakPolarHBondContact O-CB 3.41Å; L27-A31 PolarHBondContact O-N 3.28Å; G28-A31 PolarHBondContact O-N 2.91Å; A31-R33 PolarHBondContact O-N 2.9Å; A31-R34 PolarHBondContact O-N 3.04Å; A31-Y35 WeakPolarHBondContact O-CB 3.42Å; A31-Y35 PolarHBondContact O-N 2.83Å; A31-V82 HydrophobicContact CB-CG2 4.37Å
32V92.1Very high87.2Confident0 Ų055.1 Ų55.10%026%0.263CS..Hα-helixtrans-62.1-43.4175.8174.90000111.1V8 G28 R29 R34 Y35 I36 V48 V51 F53 V82 I84V8-V32 HydrophobicContact CG1-CG2 4.43Å; G28-V32 WeakPolarHBondContact O-CG2 3.25Å; G28-V32 PolarHBondContact O-N 3.44Å; R29-V32 PolarHBondContact O-N 2.93Å; V32-R34 VanDerWaalsContact C-N 3.3Å; V32-R34 PolarHBondContact O-N 3.35Å; V32-Y35 WeakPolarHBondContact O-CB 3.32Å; V32-Y35 PolarHBondContact O-N 3.43Å; V32-Y35 VanDerWaalsContact O-N 3.14Å; V32-I36 HydrophobicContact CG1-CD1 3.76Å; V32-I36 HydrophobicContact CG1-CG1 4.16Å; V32-I36 WeakPolarHBondContact O-CB 3.44Å; V32-I36 VanDerWaalsContact O-CG1 3.23Å; V32-I36 WeakPolarHBondContact O-CG1 3.41Å; V32-I36 PolarHBondContact O-N 3Å; V32-V48 HydrophobicContact CB-CG2 4.17Å; V32-V48 HydrophobicContact CG1-CG2 3.95Å; V32-V51 HydrophobicContact CG1-CB 4.16Å; V32-V51 HydrophobicContact CG1-CG1 4.07Å; V32-V51 HydrophobicContact CG1-CG2 3.94Å; V32-F53 HydrophobicContact CG2-CD1 4.43Å; V32-V82 HydrophobicContact CG2-CG1 3.85Å; V32-I84 HydrophobicContact CG2-CD1 4.48Å
33R93.8Very high86.2Confident104 Ų10453.9 Ų53.939%0.39226%0.258SS..Hα-helixtrans-57-44.1175.7-176.3-177.4-67.7115.13111.8R29 E30 A31 K37 V48R29-R33 WeakPolarHBondContact O-CB 3.27Å; R29-R33 PolarHBondContact O-N 2.89Å; E30-R33 PolarHBondContact O-N 2.73Å; E30-R33 IonicContact OE2-CZ 3.23Å; E30-R33 IonicContact OE2-NH1 2.66Å; E30-R33 PolarHBondContact OE2-NH1 2.88Å; A31-R33 PolarHBondContact O-N 2.9Å; R33-K37 WeakPolarHBondContact O-CB 3.16Å; R33-K37 PolarHBondContact O-N 3.28Å; R33-V48 HydrophobicContact CB-CG2 4.17Å
34R92.3Very high85.3Confident76 Ų7654.9 Ų54.929%0.28728%0.276SS..Hα-helixtrans-66.9-40.9176.4-73.9172.3-179.9-116.6-13111.8L13 A14 P16 E30 A31 V32 K37 N38L13-R34 HydrophobicContact CD1-CB 4.17Å; A14-R34 PolarHBondContact O-NH1 3.38Å; P16-R34 VanDerWaalsContact CD-NH1 3.25Å; E30-R34 WeakPolarHBondContact O-CB 3.29Å; E30-R34 VanDerWaalsContact O-CG 3.27Å; E30-R34 WeakPolarHBondContact O-CG 3.39Å; E30-R34 PolarHBondContact O-N 3.47Å; E30-R34 IonicContact OE1-CZ 2.9Å; E30-R34 IonicContact OE1-NE 2.71Å; E30-R34 PolarHBondContact OE1-NE 2.64Å; E30-R34 IonicContact OE1-NH2 3.96Å; E30-R34 PolarHBondContact OE1-NH2 2.79Å; A31-R34 PolarHBondContact O-N 3.04Å; V32-R34 VanDerWaalsContact C-N 3.3Å; V32-R34 PolarHBondContact O-N 3.35Å; R34-K37 PolarHBondContact O-N 3.31Å; R34-N38 VanDerWaalsContact O-CB 3.31Å; R34-N38 WeakPolarHBondContact O-CB 3.38Å; R34-N38 PolarHBondContact O-N 2.84Å; R34-N38 PolarHBondContact O-ND2 3.04Å
35Y87.4Confident84.5Confident20 Ų2056.4 Ų56.48%0.07828%0.283CS..Hα-helixtrans-56.9-55.6174.1178.2-97.4000110.6V8 R9 E11 A31 V32 K37 N38 K39 F45V8-Y35 HydrophobicContact CB-CD2 4.01Å; V8-Y35 HydrophobicContact CB-CG 4.23Å; V8-Y35 HydrophobicContact CG1-CD1 4.24Å; V8-Y35 HydrophobicContact CG1-CD2 3.97Å; V8-Y35 HydrophobicContact CG1-CE2 4.49Å; V8-Y35 HydrophobicContact CG1-CG 3.83Å; V8-Y35 WeakPolarHBondContact O-CE2 3.44Å; R9-Y35 HydrophobicContact CB-CE2 3.98Å; R9-Y35 WeakPolarHBondContact CB-OH 3.13Å; R9-Y35 WeakPolarHBondContact CD-OH 3.22Å; E11-Y35 HydrophobicContact CB-CD2 4.27Å; E11-Y35 HydrophobicContact CB-CE2 4.36Å; E11-Y35 HydrophobicContact CG-CD2 4.3Å; E11-Y35 HydrophobicContact CG-CE2 4.01Å; A31-Y35 WeakPolarHBondContact O-CB 3.42Å; A31-Y35 PolarHBondContact O-N 2.83Å; V32-Y35 WeakPolarHBondContact O-CB 3.32Å; V32-Y35 PolarHBondContact O-N 3.43Å; V32-Y35 VanDerWaalsContact O-N 3.14Å; Y35-K37 VanDerWaalsContact C-N 3.33Å; Y35-K37 PolarHBondContact O-N 3.13Å; Y35-N38 PolarHBondContact O-N 3.42Å; Y35-N38 VanDerWaalsContact O-N 3.07Å; Y35-K39 HydrophobicContact CD1-CG 4.49Å; Y35-K39 HydrophobicContact CD2-CG 4.43Å; Y35-K39 HydrophobicContact CE1-CG 4.22Å; Y35-K39 HydrophobicContact CE2-CD 4.5Å; Y35-K39 HydrophobicContact CE2-CG 4.16Å; Y35-K39 WeakPolarHBondContact O-CG 3.44Å; Y35-K39 PolarHBondContact O-N 3.47Å; Y35-F45 HydrophobicContact CD1-CE2 4.37Å; Y35-F45 HydrophobicContact CE1-CE2 4.15Å
36I86.4Confident83.8Confident20 Ų2060.9 Ų60.910%0.10332%0.32CS..Hα-helixtrans-51.6-52.5176.9-69.8174.6000110.1V32 N38 K39 N42 F45 V48V32-I36 HydrophobicContact CG1-CD1 3.76Å; V32-I36 HydrophobicContact CG1-CG1 4.16Å; V32-I36 WeakPolarHBondContact O-CB 3.44Å; V32-I36 VanDerWaalsContact O-CG1 3.23Å; V32-I36 WeakPolarHBondContact O-CG1 3.41Å; V32-I36 PolarHBondContact O-N 3Å; I36-N38 PolarHBondContact O-N 3.33Å; I36-K39 PolarHBondContact O-N 2.96Å; I36-N42 WeakPolarHBondContact CG1-O 3.38Å; I36-N42 HydrophobicContact CG2-CB 3.76Å; I36-N42 WeakPolarHBondContact O-CA 3.43Å; I36-F45 HydrophobicContact CD1-CB 3.88Å; I36-F45 HydrophobicContact CD1-CD2 4.23Å; I36-F45 HydrophobicContact CD1-CG 4.33Å; I36-F45 HydrophobicContact CG1-CB 4.14Å; I36-F45 HydrophobicContact CG1-CD2 3.92Å; I36-F45 HydrophobicContact CG1-CG 4.44Å; I36-V48 HydrophobicContact CD1-CB 3.98Å; I36-V48 HydrophobicContact CD1-CG2 4.49Å
37K86.7Confident83.3Confident175 Ų17559.4 Ų59.476%0.76132%0.32SS*.Hα-helixtrans-60.5-32.3-178.5-174-179.4177.4-178.80113.4R33 R34 Y35R33-K37 WeakPolarHBondContact O-CB 3.16Å; R33-K37 PolarHBondContact O-N 3.28Å; R34-K37 PolarHBondContact O-N 3.31Å; Y35-K37 VanDerWaalsContact C-N 3.33Å; Y35-K37 PolarHBondContact O-N 3.13Å
38N78.8Confident83Confident110 Ų11060.3 Ų60.359%0.58833%0.326SS*.Hα-helixtrans-90.4-1-175.8-69.4-21.4000113.1R34 Y35 I36R34-N38 VanDerWaalsContact O-CB 3.31Å; R34-N38 WeakPolarHBondContact O-CB 3.38Å; R34-N38 PolarHBondContact O-N 2.84Å; R34-N38 PolarHBondContact O-ND2 3.04Å; Y35-N38 PolarHBondContact O-N 3.42Å; Y35-N38 VanDerWaalsContact O-N 3.07Å; I36-N38 PolarHBondContact O-N 3.33Å
39K72.7Confident82.6Confident53 Ų5366.5 Ų66.523%0.2336%0.359CS..SBendtrans-109.5137.9-179.8-67.1-63.6-179.9-177.10111.5E11 Y35 I36 D41 N42E11-K39 IonicContact OE1-NZ 3.16Å; E11-K39 PolarHBondContact OE1-NZ 2.98Å; Y35-K39 HydrophobicContact CD1-CG 4.49Å; Y35-K39 HydrophobicContact CD2-CG 4.43Å; Y35-K39 HydrophobicContact CE1-CG 4.22Å; Y35-K39 HydrophobicContact CE2-CD 4.5Å; Y35-K39 HydrophobicContact CE2-CG 4.16Å; Y35-K39 WeakPolarHBondContact O-CG 3.44Å; Y35-K39 PolarHBondContact O-N 3.47Å; I36-K39 PolarHBondContact O-N 2.96Å; K39-D41 PolarHBondContact O-N 2.91Å; K39-N42 PolarHBondContact O-N 3.37Å
40P59.4Low81.8Confident138 Ų13866.6 Ų66.690%0.89637%0.367SS*.THydrogen-bonded Turntrans-60.4-27.3-175.6-22.832.6000114.9
41D70.2Confident81.4Confident105 Ų10565.7 Ų65.756%0.56136%0.364SS*.THydrogen-bonded Turntrans-110.722.7-177.970.1-29000112.3K39 G43 G44K39-D41 PolarHBondContact O-N 2.91Å; D41-G43 PolarHBondContact O-N 3.33Å; D41-G43 VanDerWaalsContact O-N 3.1Å; D41-G43 VanDerWaalsContact OD1-CA 3.32Å; D41-G43 WeakPolarHBondContact OD1-CA 3.38Å; D41-G43 PolarHBondContact OD1-N 3.11Å; D41-G44 PolarHBondContact O-N 2.75Å; D41-G44 VanDerWaalsContact O-N 3.13Å; D41-G44 PolarHBondContact OD2-N 2.87Å
42N74Confident81.2Confident80 Ų8071.8 Ų71.843%0.42839%0.392SS..G310 helixtrans58.918.7-171.2-64.8-26.9000113.1I36 K39 G44 F45I36-N42 WeakPolarHBondContact CG1-O 3.38Å; I36-N42 HydrophobicContact CG2-CB 3.76Å; I36-N42 WeakPolarHBondContact O-CA 3.43Å; K39-N42 PolarHBondContact O-N 3.37Å; N42-G44 VanDerWaalsContact C-N 3.26Å; N42-G44 PolarHBondContact O-N 3.43Å; N42-F45 VanDerWaalsContact CB-O 3.25Å; N42-F45 WeakPolarHBondContact CB-O 3.35Å; N42-F45 PolarHBondContact O-N 3.35Å
43G69.8Low81.1Confident4 Ų472.5 Ų72.54%0.04140%0.395CS..G310 helixtrans66.228.3-176.900000112.7R9 D41 F45R9-G43 PolarHBondContact NH1-O 3.49Å; D41-G43 PolarHBondContact O-N 3.33Å; D41-G43 VanDerWaalsContact O-N 3.1Å; D41-G43 VanDerWaalsContact OD1-CA 3.32Å; D41-G43 WeakPolarHBondContact OD1-CA 3.38Å; D41-G43 PolarHBondContact OD1-N 3.11Å; G43-F45 VanDerWaalsContact C-N 3.29Å; G43-F45 VanDerWaalsContact O-CD2 3.28Å; G43-F45 WeakPolarHBondContact O-CD2 3.34Å; G43-F45 WeakPolarHBondContact O-CE2 3.1Å; G43-F45 PolarHBondContact O-N 3.31Å
44G75.8Confident80.9Confident61 Ų6170.5 Ų70.563%0.62939%0.392SS*.G310 helixtrans75.311.1-177.700000115D41 N42D41-G44 PolarHBondContact O-N 2.75Å; D41-G44 VanDerWaalsContact O-N 3.13Å; D41-G44 PolarHBondContact OD2-N 2.87Å; N42-G44 VanDerWaalsContact C-N 3.26Å; N42-G44 PolarHBondContact O-N 3.43Å
45F77.9Confident80.8Confident32 Ų3267 Ų6714%0.1438%0.379CS..  trans-105.8141.7177.7-60.4-67.6000112.1Y35 I36 N42 G43 V51 I84Y35-F45 HydrophobicContact CD1-CE2 4.37Å; Y35-F45 HydrophobicContact CE1-CE2 4.15Å; I36-F45 HydrophobicContact CD1-CB 3.88Å; I36-F45 HydrophobicContact CD1-CD2 4.23Å; I36-F45 HydrophobicContact CD1-CG 4.33Å; I36-F45 HydrophobicContact CG1-CB 4.14Å; I36-F45 HydrophobicContact CG1-CD2 3.92Å; I36-F45 HydrophobicContact CG1-CG 4.44Å; N42-F45 VanDerWaalsContact CB-O 3.25Å; N42-F45 WeakPolarHBondContact CB-O 3.35Å; N42-F45 PolarHBondContact O-N 3.35Å; G43-F45 VanDerWaalsContact C-N 3.29Å; G43-F45 VanDerWaalsContact O-CD2 3.28Å; G43-F45 WeakPolarHBondContact O-CD2 3.34Å; G43-F45 WeakPolarHBondContact O-CE2 3.1Å; G43-F45 PolarHBondContact O-N 3.31Å; F45-V51 HydrophobicContact CB-CG2 4.17Å; F45-V51 HydrophobicContact CD1-CG1 4.49Å; F45-V51 HydrophobicContact CD1-CG2 3.47Å; F45-V51 VanDerWaalsContact CD1-CG2 3.47Å; F45-V51 HydrophobicContact CD2-CG2 4.36Å; F45-V51 HydrophobicContact CE1-CG1 4.08Å; F45-V51 HydrophobicContact CE1-CG2 3.91Å; F45-V51 HydrophobicContact CG-CG2 3.73Å; F45-V51 HydrophobicContact CZ-CG1 4.31Å; F45-I84 HydrophobicContact CE1-CD1 4.31Å; F45-I84 HydrophobicContact CE1-CG2 3.89Å; F45-I84 HydrophobicContact CE2-CD1 3.64Å; F45-I84 HydrophobicContact CZ-CB 4.46Å; F45-I84 HydrophobicContact CZ-CD1 3.29Å; F45-I84 HydrophobicContact CZ-CG1 4.36Å; F45-I84 HydrophobicContact CZ-CG2 3.8Å
46A79.4Confident80.7Confident95 Ų9569 Ų6979%0.78539%0.386SS*.SBendtrans-75.7-43.5174.300000111.8
47S83.9Confident80.4Confident37 Ų3772 Ų7226%0.25940%0.396SS..  trans-150.3164.5173.585.70000110.2D49 D50 V51S47-D49 PolarHBondContact O-N 3.18Å; S47-D49 PolarHBondContact OG-N 3.42Å; S47-D49 VanDerWaalsContact OG-N 3.16Å; S47-D50 WeakPolarHBondContact CB-OD2 3.43Å; S47-D50 VanDerWaalsContact OG-CG 3.26Å; S47-D50 PolarHBondContact OG-N 3.09Å; S47-D50 PolarHBondContact OG-OD2 3.24Å; S47-V51 WeakPolarHBondContact O-CG2 3.41Å
48V86.9Confident79.7Confident20 Ų2065.8 Ų65.812%0.12138%0.375CS..SBendtrans-68.5-24.9172.668.10000112.3V32 R33 I36 D50 V51V32-V48 HydrophobicContact CB-CG2 4.17Å; V32-V48 HydrophobicContact CG1-CG2 3.95Å; R33-V48 HydrophobicContact CB-CG2 4.17Å; I36-V48 HydrophobicContact CD1-CB 3.98Å; I36-V48 HydrophobicContact CD1-CG2 4.49Å; V48-D50 VanDerWaalsContact C-N 3.28Å; V48-D50 PolarHBondContact O-N 3.33Å; V48-V51 PolarHBondContact O-N 3.15Å
49D84.3Confident78.5Confident130 Ų13069.2 Ų69.270%0.69538%0.384SS*.THydrogen-bonded Turntrans-76.6-20.2-175.4-61.7-40.6000111.9S47 V51S47-D49 PolarHBondContact O-N 3.18Å; S47-D49 PolarHBondContact OG-N 3.42Å; S47-D49 VanDerWaalsContact OG-N 3.16Å; D49-V51 VanDerWaalsContact C-N 3.33Å
50D79.4Confident77.7Confident108 Ų10870.3 Ų70.358%0.57841%0.41SS*.THydrogen-bonded Turntrans-88.30.3176.3-54.5-53.1000112.9S47 V48S47-D50 WeakPolarHBondContact CB-OD2 3.43Å; S47-D50 VanDerWaalsContact OG-CG 3.26Å; S47-D50 PolarHBondContact OG-N 3.09Å; S47-D50 PolarHBondContact OG-OD2 3.24Å; V48-D50 VanDerWaalsContact C-N 3.28Å; V48-D50 PolarHBondContact O-N 3.33Å
51V85.4Confident77.9Confident12 Ų1268.4 Ų68.47%0.07339%0.392CS..  trans-94110.1-176.7-170.90000110.5V32 F45 S47 V48 D49 F53 I84V32-V51 HydrophobicContact CG1-CB 4.16Å; V32-V51 HydrophobicContact CG1-CG1 4.07Å; V32-V51 HydrophobicContact CG1-CG2 3.94Å; F45-V51 HydrophobicContact CB-CG2 4.17Å; F45-V51 HydrophobicContact CD1-CG1 4.49Å; F45-V51 HydrophobicContact CD1-CG2 3.47Å; F45-V51 VanDerWaalsContact CD1-CG2 3.47Å; F45-V51 HydrophobicContact CD2-CG2 4.36Å; F45-V51 HydrophobicContact CE1-CG1 4.08Å; F45-V51 HydrophobicContact CE1-CG2 3.91Å; F45-V51 HydrophobicContact CG-CG2 3.73Å; F45-V51 HydrophobicContact CZ-CG1 4.31Å; S47-V51 WeakPolarHBondContact O-CG2 3.41Å; V48-V51 PolarHBondContact O-N 3.15Å; D49-V51 VanDerWaalsContact C-N 3.33Å; V51-F53 HydrophobicContact CG1-CD1 4.38Å; V51-I84 HydrophobicContact CG1-CB 4.47Å; V51-I84 HydrophobicContact CG1-CD1 4.1Å; V51-I84 HydrophobicContact CG1-CG1 4.09Å; V51-I84 HydrophobicContact CG1-CG2 3.68Å
52H89Confident78.1Confident127 Ų12765 Ų6559%0.58838%0.382SS*.  trans-84.5130.5166.3-64.8-74.2000109.9E85H52-E85 HydrophobicContact CB-CB 3.97Å; H52-E85 HydrophobicContact CB-CG 4.18Å; H52-E85 VanDerWaalsContact CB-OE2 3.32Å; H52-E85 WeakPolarHBondContact CB-OE2 3.4Å; H52-E85 PolarHBondContact O-N 3.39Å
53F90.2Very high78.5Confident16 Ų1666.7 Ų66.77%0.0739%0.391CS..EExtended strand (participates in β ladder)trans-150.5162.9-178.167.1-95000112.3R29 V32 V51 V55 V82 V83 I84R29-F53 HydrophobicContact CB-CE1 4.43Å; R29-F53 HydrophobicContact CB-CZ 4.36Å; R29-F53 HydrophobicContact CG-CE1 3.59Å; R29-F53 HydrophobicContact CG-CZ 3.73Å; V32-F53 HydrophobicContact CG2-CD1 4.43Å; V51-F53 HydrophobicContact CG1-CD1 4.38Å; F53-V55 HydrophobicContact CD2-CG2 3.94Å; F53-V55 HydrophobicContact CE2-CG2 3.77Å; F53-V82 HydrophobicContact CB-CG1 3.61Å; F53-V82 HydrophobicContact CD2-CG1 3.64Å; F53-V82 HydrophobicContact CG-CG1 3.66Å; F53-V83 CarbonylContact C-O 3.39Å; F53-V83 WeakPolarHBondContact CA-O 3.16Å; F53-V83 WeakPolarHBondContact CB-O 3.45Å; F53-I84 HydrophobicContact CB-CG1 4.36Å
54L89.9Confident79.4Confident62 Ų6267.3 Ų67.333%0.32539%0.393SS..EExtended strand (participates in β ladder)trans-121.7149171.7-62.3170.9000109.2L63 V82 V83L54-L63 HydrophobicContact CB-CD1 3.96Å; L54-L63 HydrophobicContact CD1-CD1 4.38Å; L54-L63 HydrophobicContact CD2-CD1 4.43Å; L54-L63 HydrophobicContact CG-CD1 4.5Å; L54-V82 CarbonylContact O-C 3.49Å; L54-V82 WeakPolarHBondContact O-CA 3.37Å; L54-V83 PolarHBondContact N-O 2.91Å; L54-V83 PolarHBondContact O-N 3.35Å
55V88.9Confident80.3Confident1 Ų169.4 Ų69.41%0.00639%0.39CS..EExtended strand (participates in β ladder)trans-111.7133.8174.9-168.40000109.4V24 F53 L64 V80 E81 V82V24-V55 HydrophobicContact CG1-CB 3.54Å; V24-V55 HydrophobicContact CG1-CG1 3.92Å; V24-V55 HydrophobicContact CG1-CG2 3.76Å; F53-V55 HydrophobicContact CD2-CG2 3.94Å; F53-V55 HydrophobicContact CE2-CG2 3.77Å; V55-L64 HydrophobicContact CG1-CD1 4.17Å; V55-L64 PolarHBondContact O-N 3.08Å; V55-V80 HydrophobicContact CG1-CB 3.93Å; V55-V80 HydrophobicContact CG1-CG2 4.13Å; V55-E81 CarbonylContact C-O 3.57Å; V55-E81 WeakPolarHBondContact CA-O 3.3Å; V55-V82 HydrophobicContact CG2-CG2 4.32Å
56R86.3Confident80.9Confident62 Ų6270.9 Ų70.923%0.23440%0.399CS..EExtended strand (participates in β ladder)trans-133.6156.5176.463.8-177.363.4-179.41.7111.4G62 V80 E81 V83R56-G62 CarbonylContact C-O 3.5Å; R56-G62 VanDerWaalsContact CA-O 3.26Å; R56-G62 WeakPolarHBondContact CA-O 3.43Å; R56-G62 WeakPolarHBondContact CB-O 3.21Å; R56-V80 CarbonylContact O-C 3.02Å; R56-V80 WeakPolarHBondContact O-CA 3.3Å; R56-V80 WeakPolarHBondContact O-CB 3.14Å; R56-E81 HydrophobicContact CG-CB 4.06Å; R56-E81 PolarHBondContact N-O 3.46Å; R56-E81 PolarHBondContact O-N 3.33Å; R56-V83 HydrophobicContact CG-CG2 4.35Å
57R80.6Confident81.5Confident83 Ų8368.7 Ų68.731%0.31339%0.386SS..EExtended strand (participates in β ladder)trans-70137.5171.3-64.7-177.2175.4-168.40.1110.1K59 L61 G62 L64 A73 E78R57-K59 VanDerWaalsContact C-N 3.28Å; R57-K59 WeakPolarHBondContact CB-O 3.31Å; R57-K59 PolarHBondContact O-N 2.99Å; R57-L61 VanDerWaalsContact O-CA 3.27Å; R57-L61 WeakPolarHBondContact O-CA 3.42Å; R57-L61 PolarHBondContact O-N 3.02Å; R57-G62 PolarHBondContact N-O 3Å; R57-L64 HydrophobicContact CG-CD1 4.18Å; R57-L64 HydrophobicContact CG-CD2 4.02Å; R57-L64 HydrophobicContact CG-CG 4.26Å; R57-A73 PolarHBondContact NH2-O 2.92Å; R57-E78 VanDerWaalsContact CD-OE1 3.26Å; R57-E78 WeakPolarHBondContact CD-OE1 3.12Å; R57-E78 IonicContact CZ-OE1 3.23Å; R57-E78 IonicContact NE-OE1 2.64Å; R57-E78 PolarHBondContact NE-OE1 3.33Å; R57-E78 IonicContact NH1-OE1 3.04Å
58C70.4Confident81.9Confident45 Ų4570.2 Ų70.230%0.30439%0.391SS..THydrogen-bonded Turntrans-68-33.6172.2-63.60000111.3F79 V80C58-F79 HydrophobicContact CB-CB 4.01Å; C58-F79 PolarHBondContact N-O 3.13Å; C58-V80 VanDerWaalsContact SG-C 3.52Å
59K54.9Low82.1Confident183 Ų18375 Ų7580%0.79641%0.407SS*.THydrogen-bonded Turntrans-91.7119.9175-168.7178.3179.2-175.70109.9R57 L61R57-K59 VanDerWaalsContact C-N 3.28Å; R57-K59 WeakPolarHBondContact CB-O 3.31Å; R57-K59 PolarHBondContact O-N 2.99Å; K59-L61 PolarHBondContact O-N 3.25Å
60G54.9Low82.4Confident75 Ų7569 Ų6977%0.77338%0.375SS*.THydrogen-bonded Turntrans79.2-5.4178.500000115.5G62G60-G62 PolarHBondContact O-N 3.43Å; G60-G62 VanDerWaalsContact O-N 3.08Å
61L64.1Low82.7Confident98 Ų9868.8 Ų68.851%0.51337%0.371SS..THydrogen-bonded Turntrans57.821.3173-54.8178.4000115.2R57 K59 L63R57-L61 VanDerWaalsContact O-CA 3.27Å; R57-L61 WeakPolarHBondContact O-CA 3.42Å; R57-L61 PolarHBondContact O-N 3.02Å; K59-L61 PolarHBondContact O-N 3.25Å; L61-L63 PolarHBondContact O-N 3.37Å
62G74.4Confident82.7Confident35 Ų3573.7 Ų73.736%0.36140%0.4SS..  trans-63.9127.8176.500000111.2R56 R57 G60R56-G62 CarbonylContact C-O 3.5Å; R56-G62 VanDerWaalsContact CA-O 3.26Å; R56-G62 WeakPolarHBondContact CA-O 3.43Å; R56-G62 WeakPolarHBondContact CB-O 3.21Å; R57-G62 PolarHBondContact N-O 3Å; G60-G62 PolarHBondContact O-N 3.43Å; G60-G62 VanDerWaalsContact O-N 3.08Å
63L82.8Confident82.5Confident115 Ų11568 Ų6860%0.60238%0.375SS*.EExtended strand (participates in β ladder)trans-69.6136.1172.3-174.868.6000109.5L54 L61L54-L63 HydrophobicContact CB-CD1 3.96Å; L54-L63 HydrophobicContact CD1-CD1 4.38Å; L54-L63 HydrophobicContact CD2-CD1 4.43Å; L54-L63 HydrophobicContact CG-CD1 4.5Å; L61-L63 PolarHBondContact O-N 3.37Å
64L88.8Confident82.2Confident17 Ų1767.7 Ų67.79%0.08937%0.374CS..EExtended strand (participates in β ladder)trans-105.6140.7178.5-59.9173.9000110V24 V55 R57 L74 V80V24-L64 HydrophobicContact CG1-CB 3.77Å; V24-L64 HydrophobicContact CG1-CD1 4.32Å; V24-L64 HydrophobicContact CG2-CB 4.27Å; V24-L64 HydrophobicContact CG2-CD1 4.48Å; V55-L64 HydrophobicContact CG1-CD1 4.17Å; V55-L64 PolarHBondContact O-N 3.08Å; R57-L64 HydrophobicContact CG-CD1 4.18Å; R57-L64 HydrophobicContact CG-CD2 4.02Å; R57-L64 HydrophobicContact CG-CG 4.26Å; L64-L74 HydrophobicContact CD1-CD2 3.71Å; L64-L74 HydrophobicContact CD1-CG 4.4Å; L64-V80 HydrophobicContact CD1-CG1 3.98Å
65D92.7Very high81.6Confident104 Ų10471.8 Ų71.856%0.55639%0.392SS*.  trans-77.2133.8175.5-167.2-74.7000110.1V24 G67 D68V24-D65 WeakPolarHBondContact CB-O 3.47Å; D65-G67 PolarHBondContact O-N 3.16Å; D65-G67 VanDerWaalsContact O-N 3.16Å; D65-G67 WeakPolarHBondContact OD1-CA 3.41Å; D65-G67 PolarHBondContact OD1-N 3.42Å; D65-D68 WeakPolarHBondContact CB-OD2 3.48Å; D65-D68 WeakPolarHBondContact O-CB 3.39Å; D65-D68 PolarHBondContact O-N 3.18Å; D65-D68 VanDerWaalsContact O-N 3.07Å
66N91.3Very high80.3Confident63 Ų6377.5 Ų77.534%0.33742%0.422SS..THydrogen-bonded Turntrans-62.8-22.8-178-81.4-27.6000113.4T23 G25T23-N66 WeakPolarHBondContact CB-O 3.49Å; T23-N66 PolarHBondContact OG1-O 3.02Å; G25-N66 PolarHBondContact N-O 3.39Å
67G92.3Very high78.9Confident50 Ų5079.9 Ų79.952%0.51544%0.439SS..THydrogen-bonded Turntrans-82-15.2176.900000114.3D65D65-G67 PolarHBondContact O-N 3.16Å; D65-G67 VanDerWaalsContact O-N 3.16Å; D65-G67 WeakPolarHBondContact OD1-CA 3.41Å; D65-G67 PolarHBondContact OD1-N 3.42Å
68D92.5Very high78.5Confident69 Ų6977.3 Ų77.337%0.36943%0.431SS..SBendtrans-67.9141.3-178.2-70.2-26.5000111.5T23 V24 D65 A73T23-D68 CarbonylContact C-O 3.3Å; T23-D68 WeakPolarHBondContact CA-O 3.32Å; T23-D68 VanDerWaalsContact CB-O 3.31Å; T23-D68 WeakPolarHBondContact CB-O 3.16Å; V24-D68 HydrophobicContact CG2-CB 4.11Å; V24-D68 PolarHBondContact N-O 3.39Å; D65-D68 WeakPolarHBondContact CB-OD2 3.48Å; D65-D68 WeakPolarHBondContact O-CB 3.39Å; D65-D68 PolarHBondContact O-N 3.18Å; D65-D68 VanDerWaalsContact O-N 3.07Å; D68-A73 HydrophobicContact CB-CB 3.83Å
69R91.6Very high79Confident121 Ų12180.3 Ų80.346%0.45744%0.439SS..BIsolated β-bridgetrans-71.8138.9173.1-66.6-176.7-179.3-178-3.9110.1Q21 E71 V72 A73Q21-R69 VanDerWaalsContact OE1-NH1 3.08Å; R69-E71 VanDerWaalsContact C-N 3.27Å; R69-E71 HydrophobicContact CB-CG 4.23Å; R69-E71 IonicContact NH1-OE1 2.64Å; R69-E71 PolarHBondContact O-N 3.49Å; R69-V72 HydrophobicContact CB-CB 4.47Å; R69-V72 HydrophobicContact CB-CG2 4.13Å; R69-V72 PolarHBondContact O-N 3.29Å; R69-A73 WeakPolarHBondContact O-CB 3.43Å; R69-A73 PolarHBondContact O-N 3.29Å
70L89.3Confident80.4Confident4 Ų471.6 Ų71.62%0.02140%0.401CS..Hα-helixtrans-57.6-40-178.3-66.3176.8000112.5Y4 L22 V24 W26 L27 V72 A73 L74Y4-L70 HydrophobicContact CD2-CD1 4.2Å; Y4-L70 HydrophobicContact CE2-CB 4.08Å; Y4-L70 HydrophobicContact CE2-CD1 3.86Å; Y4-L70 HydrophobicContact CE2-CG 4.47Å; L22-L70 HydrophobicContact CB-CD1 3.87Å; L22-L70 WeakPolarHBondContact O-CG 3.27Å; L22-L70 PolarHBondContact O-N 2.99Å; V24-L70 HydrophobicContact CG2-CD2 4.14Å; W26-L70 HydrophobicContact CE3-CD1 4.45Å; L27-L70 HydrophobicContact CB-CD1 4.19Å; L27-L70 HydrophobicContact CB-CD2 3.8Å; L27-L70 HydrophobicContact CD2-CD2 3.75Å; L27-L70 HydrophobicContact CG-CD2 4.34Å; L70-V72 PolarHBondContact O-N 3.15Å; L70-A73 PolarHBondContact O-N 3.24Å; L70-L74 HydrophobicContact CD2-CD1 3.9Å; L70-L74 WeakPolarHBondContact O-CA 3.44Å; L70-L74 WeakPolarHBondContact O-CB 3.41Å; L70-L74 PolarHBondContact O-N 3.37Å
71E86.8Confident82Confident103 Ų10369.8 Ų69.848%0.48137%0.373SS..Hα-helixtrans-65.5-21.6178.668.6-173.9172.100114.2R69R69-E71 VanDerWaalsContact C-N 3.27Å; R69-E71 HydrophobicContact CB-CG 4.23Å; R69-E71 IonicContact NH1-OE1 2.64Å; R69-E71 PolarHBondContact O-N 3.49Å
72V85.7Confident83.2Confident115 Ų11565.3 Ų65.370%0.69735%0.349SS*.Hα-helixtrans-95.7-40.3178.9-178.50000110.4R69 L70R69-V72 HydrophobicContact CB-CB 4.47Å; R69-V72 HydrophobicContact CB-CG2 4.13Å; R69-V72 PolarHBondContact O-N 3.29Å; L70-V72 PolarHBondContact O-N 3.15Å
73A84.8Confident83.6Confident7 Ų765.2 Ų65.26%0.05834%0.342CS..Hα-helixtrans-83.1-25.5-17500000113.9V24 R57 D68 R69 L70V24-A73 HydrophobicContact CG2-CB 3.76Å; R57-A73 PolarHBondContact NH2-O 2.92Å; D68-A73 HydrophobicContact CB-CB 3.83Å; R69-A73 WeakPolarHBondContact O-CB 3.43Å; R69-A73 PolarHBondContact O-N 3.29Å; L70-A73 PolarHBondContact O-N 3.24Å
74L83.1Confident83.7Confident10 Ų1060 Ų605%0.05232%0.315CS..  trans-135.9139.4-170.7-61.6176.4000112.9Y4 L27 L64 L70 E78 V80Y4-L74 HydrophobicContact CD1-CB 4.27Å; Y4-L74 HydrophobicContact CD1-CD1 3.99Å; Y4-L74 HydrophobicContact CE1-CB 3.72Å; Y4-L74 HydrophobicContact CE1-CD1 4.12Å; L27-L74 HydrophobicContact CD2-CD1 3.87Å; L64-L74 HydrophobicContact CD1-CD2 3.71Å; L64-L74 HydrophobicContact CD1-CG 4.4Å; L70-L74 HydrophobicContact CD2-CD1 3.9Å; L70-L74 WeakPolarHBondContact O-CA 3.44Å; L70-L74 WeakPolarHBondContact O-CB 3.41Å; L70-L74 PolarHBondContact O-N 3.37Å; L74-E78 VanDerWaalsContact CA-OE2 3.27Å; L74-E78 WeakPolarHBondContact CA-OE2 3.31Å; L74-E78 HydrophobicContact CB-CB 4.49Å; L74-E78 HydrophobicContact CD2-CB 4.45Å; L74-E78 HydrophobicContact CD2-CG 4.24Å; L74-E78 WeakPolarHBondContact CD2-OE2 3.26Å; L74-V80 HydrophobicContact CD1-CG1 3.78Å; L74-V80 HydrophobicContact CD2-CG1 3.39Å; L74-V80 HydrophobicContact CG-CG1 4.25Å
75E76.6Confident83.1Confident148 Ų14864.8 Ų64.869%0.69234%0.336SS*.  trans-77.8157.5169.7-65.3177.5-170.500111.3N77 E78E75-N77 PolarHBondContact O-N 3.44Å; E75-E78 HydrophobicContact CB-CB 4.43Å; E75-E78 PolarHBondContact N-OE2 3.16Å; E75-E78 VanDerWaalsContact O-CB 3.26Å; E75-E78 WeakPolarHBondContact O-CB 3.49Å; E75-E78 PolarHBondContact O-N 2.81Å
76D61.9Low81.8Confident120 Ų12063.6 Ų63.664%0.64235%0.348SS*.THydrogen-bonded Turntrans-59.8124.7176.1-86-22.8000111.1E78D76-E78 VanDerWaalsContact C-N 3.34Å
77N58.3Low80.6Confident112 Ų11263.5 Ų63.560%0.59935%0.348SS*.THydrogen-bonded Turntrans69.519.7-174.3-44.9-73000115.5E75E75-N77 PolarHBondContact O-N 3.44Å
78E70.5Confident78Confident29 Ų2965.7 Ų65.714%0.13636%0.361CS..  trans-67.2146.1171.3-166.4167.9-174.100111.9R57 L74 E75 D76R57-E78 VanDerWaalsContact CD-OE1 3.26Å; R57-E78 WeakPolarHBondContact CD-OE1 3.12Å; R57-E78 IonicContact CZ-OE1 3.23Å; R57-E78 IonicContact NE-OE1 2.64Å; R57-E78 PolarHBondContact NE-OE1 3.33Å; R57-E78 IonicContact NH1-OE1 3.04Å; L74-E78 VanDerWaalsContact CA-OE2 3.27Å; L74-E78 WeakPolarHBondContact CA-OE2 3.31Å; L74-E78 HydrophobicContact CB-CB 4.49Å; L74-E78 HydrophobicContact CD2-CB 4.45Å; L74-E78 HydrophobicContact CD2-CG 4.24Å; L74-E78 WeakPolarHBondContact CD2-OE2 3.26Å; E75-E78 HydrophobicContact CB-CB 4.43Å; E75-E78 PolarHBondContact N-OE2 3.16Å; E75-E78 VanDerWaalsContact O-CB 3.26Å; E75-E78 WeakPolarHBondContact O-CB 3.49Å; E75-E78 PolarHBondContact O-N 2.81Å; D76-E78 VanDerWaalsContact C-N 3.34Å
79F81.4Confident75.3Confident109 Ų10969.6 Ų69.648%0.47838%0.379SS..EExtended strand (participates in β ladder)trans-97.5128.3178.6-56.7-80.5000110.3T5 W12 C58T5-F79 HydrophobicContact CG2-CD1 3.7Å; T5-F79 HydrophobicContact CG2-CE1 3.84Å; T5-F79 WeakPolarHBondContact O-CA 3.49Å; W12-F79 HydrophobicContact CE3-CD1 4.46Å; W12-F79 HydrophobicContact CH2-CB 4.12Å; W12-F79 HydrophobicContact CH2-CD1 4.34Å; W12-F79 HydrophobicContact CZ3-CB 3.96Å; W12-F79 AromaticContact CZ3-CD1 3.9Å; W12-F79 HydrophobicContact CZ3-CD1 3.9Å; W12-F79 HydrophobicContact CZ3-CG 4.34Å; C58-F79 HydrophobicContact CB-CB 4.01Å; C58-F79 PolarHBondContact N-O 3.13Å
80V84.9Confident72.5Confident0 Ų067.1 Ų67.10%038%0.38CS..EExtended strand (participates in β ladder)trans-127154.3177-63.70000111.1T5 V6 H7 L27 V55 R56 C58 L64 L74T5-V80 PolarHBondContact O-N 3.38Å; T5-V80 VanDerWaalsContact O-N 3.15Å; V6-V80 CarbonylContact C-O 3.56Å; V6-V80 VanDerWaalsContact CA-O 3.3Å; V6-V80 WeakPolarHBondContact CA-O 3.18Å; V6-V80 HydrophobicContact CB-CG2 4.32Å; V6-V80 HydrophobicContact CG1-CG2 4.14Å; V6-V80 HydrophobicContact CG2-CG2 3.84Å; H7-V80 PolarHBondContact N-O 3.47Å; L27-V80 HydrophobicContact CD2-CG2 3.8Å; V55-V80 HydrophobicContact CG1-CB 3.93Å; V55-V80 HydrophobicContact CG1-CG2 4.13Å; R56-V80 CarbonylContact O-C 3.02Å; R56-V80 WeakPolarHBondContact O-CA 3.3Å; R56-V80 WeakPolarHBondContact O-CB 3.14Å; C58-V80 VanDerWaalsContact SG-C 3.52Å; L64-V80 HydrophobicContact CD1-CG1 3.98Å; L74-V80 HydrophobicContact CD1-CG1 3.78Å; L74-V80 HydrophobicContact CD2-CG1 3.39Å; L74-V80 HydrophobicContact CG-CG1 4.25Å
81E87.7Confident69.7Low36 Ų3673 Ų7317%0.16842%0.419CS..EExtended strand (participates in β ladder)trans-116134.2177.2176.5171.1-127.100110.2H7 V55 R56 V83H7-E81 HydrophobicContact CB-CB 4.2Å; H7-E81 HydrophobicContact CB-CG 4.29Å; H7-E81 IonicContact CE1-OE1 3.11Å; H7-E81 IonicContact ND1-OE1 2.94Å; H7-E81 PolarHBondContact ND1-OE1 3.16Å; V55-E81 CarbonylContact C-O 3.57Å; V55-E81 WeakPolarHBondContact CA-O 3.3Å; R56-E81 HydrophobicContact CG-CB 4.06Å; R56-E81 PolarHBondContact N-O 3.46Å; R56-E81 PolarHBondContact O-N 3.33Å; E81-V83 HydrophobicContact CG-CG2 4.01Å
82V90.1Very high67Low4 Ų474.8 Ų74.82%0.02443%0.431CS..EExtended strand (participates in β ladder)trans-96.7115.7169.5179.80000108.2V6 H7 V8 A31 V32 F53 L54 V55 I84V6-V82 HydrophobicContact CG1-CG2 3.47Å; V6-V82 VanDerWaalsContact CG1-CG2 3.47Å; H7-V82 PolarHBondContact O-N 2.63Å; V8-V82 HydrophobicContact CG2-CB 4.1Å; V8-V82 HydrophobicContact CG2-CG2 4.27Å; A31-V82 HydrophobicContact CB-CG2 4.37Å; V32-V82 HydrophobicContact CG2-CG1 3.85Å; F53-V82 HydrophobicContact CB-CG1 3.61Å; F53-V82 HydrophobicContact CD2-CG1 3.64Å; F53-V82 HydrophobicContact CG-CG1 3.66Å; L54-V82 CarbonylContact O-C 3.49Å; L54-V82 WeakPolarHBondContact O-CA 3.37Å; V55-V82 HydrophobicContact CG2-CG2 4.32Å; V82-I84 HydrophobicContact CG1-CG1 4.43Å
83V82Confident64.4Low34 Ų3475.7 Ų75.721%0.20643%0.426CS..EExtended strand (participates in β ladder)trans-100.7118.7177.3-178.20000108.4F53 L54 R56 E81F53-V83 CarbonylContact C-O 3.39Å; F53-V83 WeakPolarHBondContact CA-O 3.16Å; F53-V83 WeakPolarHBondContact CB-O 3.45Å; L54-V83 PolarHBondContact N-O 2.91Å; L54-V83 PolarHBondContact O-N 3.35Å; R56-V83 HydrophobicContact CG-CG2 4.35Å; E81-V83 HydrophobicContact CG-CG2 4.01Å
84I84.9Confident61.9Low6 Ų681.9 Ų81.93%0.03146%0.457CS..EExtended strand (participates in β ladder)trans-89.3129.1-175.9-59.4177.4000109.3V8 R9 V32 F45 V51 F53 V82 G86 D87V8-I84 HydrophobicContact CG1-CD1 4.09Å; R9-I84 HydrophobicContact CG-CD1 4.39Å; V32-I84 HydrophobicContact CG2-CD1 4.48Å; F45-I84 HydrophobicContact CE1-CD1 4.31Å; F45-I84 HydrophobicContact CE1-CG2 3.89Å; F45-I84 HydrophobicContact CE2-CD1 3.64Å; F45-I84 HydrophobicContact CZ-CB 4.46Å; F45-I84 HydrophobicContact CZ-CD1 3.29Å; F45-I84 HydrophobicContact CZ-CG1 4.36Å; F45-I84 HydrophobicContact CZ-CG2 3.8Å; V51-I84 HydrophobicContact CG1-CB 4.47Å; V51-I84 HydrophobicContact CG1-CD1 4.1Å; V51-I84 HydrophobicContact CG1-CG1 4.09Å; V51-I84 HydrophobicContact CG1-CG2 3.68Å; F53-I84 HydrophobicContact CB-CG1 4.36Å; V82-I84 HydrophobicContact CG1-CG1 4.43Å; I84-G86 PolarHBondContact O-N 2.83Å; I84-D87 WeakPolarHBondContact O-CB 3.15Å; I84-D87 PolarHBondContact O-N 2.81Å
85E77.4Confident59.2Low117 Ų11784.9 Ų84.955%0.54748%0.477SS..THydrogen-bonded Turntrans-66.7131.6177.5-68.1-173.3168.600110.3H52H52-E85 HydrophobicContact CB-CB 3.97Å; H52-E85 HydrophobicContact CB-CG 4.18Å; H52-E85 VanDerWaalsContact CB-OE2 3.32Å; H52-E85 WeakPolarHBondContact CB-OE2 3.4Å; H52-E85 PolarHBondContact O-N 3.39Å
86G65.2Low57.1Low78 Ų7882.9 Ų82.980%0.80448%0.48SS*.THydrogen-bonded Turntrans95.4-12.9-175.500000114.5I84 A88I84-G86 PolarHBondContact O-N 2.83Å; G86-A88 VanDerWaalsContact C-N 3.32Å; G86-A88 PolarHBondContact O-N 2.64Å
87D65Low55.5Low61 Ų6184.3 Ų84.333%0.32648%0.482SS..SBendtrans-66.798.2159.2-73.7-6.7000106.6R9 I84 M89R9-D87 WeakPolarHBondContact CG-OD2 3.16Å; R9-D87 IonicContact CZ-OD1 3.2Å; R9-D87 VanDerWaalsContact CZ-OD1 3.28Å; R9-D87 IonicContact CZ-OD2 3.97Å; R9-D87 IonicContact NE-OD1 2.73Å; R9-D87 PolarHBondContact NE-OD1 3.43Å; R9-D87 IonicContact NE-OD2 3.51Å; R9-D87 PolarHBondContact NE-OD2 2.78Å; R9-D87 IonicContact NH2-OD1 3.75Å; R9-D87 PolarHBondContact NH2-OD1 3.08Å; R9-D87 IonicContact NH2-OD2 3.81Å; I84-D87 WeakPolarHBondContact O-CB 3.15Å; I84-D87 PolarHBondContact O-N 2.81Å; D87-M89 PolarHBondContact O-N 3.33Å
88A39Very low54.1Low97 Ų9785 Ų8580%0.80249%0.493SS*.  trans-51.4113179.900000108.7G86 S90G86-A88 VanDerWaalsContact C-N 3.32Å; G86-A88 PolarHBondContact O-N 2.64Å; A88-S90 PolarHBondContact O-N 3.23Å
89M36.2Very low52.4Low151 Ų15189.2 Ų89.274%0.74451%0.513SS*.  trans-52.5103.4169.9-74.3-91.8-70.500107.3D87 P91D87-M89 PolarHBondContact O-N 3.33Å; M89-P91 VanDerWaalsContact O-CD 3.22Å; M89-P91 WeakPolarHBondContact O-CD 3.35Å
90S32.5Very low50Low69 Ų6986.4 Ų86.448%0.48352%0.515SS..  trans-63.1118.6158.31790000106A88 D92 F93A88-S90 PolarHBondContact O-N 3.23Å; S90-D92 PolarHBondContact O-N 3.01Å; S90-D92 PolarHBondContact OG-N 2.89Å; S90-F93 PolarHBondContact O-N 2.69Å
91P29.5Very low47.1Very low127 Ų12792.5 Ų92.583%0.82555%0.552SS**THydrogen-bonded Turntrans-63.2-8.3174.9-12.727.2000112.3M89 F93M89-P91 VanDerWaalsContact O-CD 3.22Å; M89-P91 WeakPolarHBondContact O-CD 3.35Å; P91-F93 VanDerWaalsContact C-N 3.34Å
92D30.1Very low44.6Very low140 Ų14097.6 Ų97.675%0.74957%0.57SS**THydrogen-bonded Turntrans-92.716.3-179.6-59.8-36.8000113.6S90 I94S90-D92 PolarHBondContact O-N 3.01Å; S90-D92 PolarHBondContact OG-N 2.89Å; D92-I94 PolarHBondContact O-N 3.41Å
93F32.3Very low41.7Very low135 Ų135104.8 Ų104.859%0.59261%0.608SS**  trans-74.495.1175.7-170.4-104.1000111.1S90 P91S90-F93 PolarHBondContact O-N 2.69Å; P91-F93 VanDerWaalsContact C-N 3.34Å
94I31.8Very low39.6Very low137 Ų137109.7 Ų109.770%0.70362%0.624SS**  trans-77120.6160.1-57.8174000106.3D92 S96D92-I94 PolarHBondContact O-N 3.41Å; I94-S96 PolarHBondContact O-N 3.23Å
95P26.6Very low37.5Very low72 Ų72114.4 Ų114.447%0.46866%0.657SS.*  trans-53.6120.8173.3-20.330.3000108.2Q97P95-Q97 PolarHBondContact O-N 2.96Å
96S31.4Very low36Very low107 Ų107118 Ų11875%0.74867%0.671SS**  trans-60.4101.4160.256.10000105.7I94I94-S96 PolarHBondContact O-N 3.23Å
97Q28.7Very low35.5Very low149 Ų149119 Ų11970%0.69665%0.651SS**  trans-52.9151.9160-69.3-150.7-1.700108P95 E99P95-Q97 PolarHBondContact O-N 2.96Å; Q97-E99 PolarHBondContact O-N 3.17Å
98P28.7Very low35.5Very low127 Ų127126.4 Ų126.483%0.82568%0.675SS**  trans-68.471.1168.830.5-33.3000108.9G100P98-G100 VanDerWaalsContact C-N 3.32Å; P98-G100 PolarHBondContact O-N 3.09Å; P98-G100 VanDerWaalsContact O-N 3.14Å
99E34.3Very low37.3Very low117 Ų117127.6 Ų127.655%0.54766%0.663SS.*  trans-73.893.9159.9-82.6175.4-17500105.9Q97 K200Q97-E99 PolarHBondContact O-N 3.17Å; E99-K200 IonicContact OE1-NZ 3.86Å; E99-K200 PolarHBondContact OE1-NZ 3.36Å; E99-K200 IonicContact OE2-NZ 2.88Å; E99-K200 PolarHBondContact OE2-NZ 2.76Å
100G31.3Very low39.5Very low51 Ų51120.8 Ų120.853%0.52663%0.631SS.*  trans58.1113171.800000113.3P98 Y102P98-G100 VanDerWaalsContact C-N 3.32Å; P98-G100 PolarHBondContact O-N 3.09Å; P98-G100 VanDerWaalsContact O-N 3.14Å; G100-Y102 PolarHBondContact O-N 3.46Å
101V25.2Very low42.1Very low128 Ų128126.2 Ų126.278%0.77665%0.648SS**  trans-61.389.5145.1-178.30000104.6L103V101-L103 HydrophobicContact CG1-CG 4.28Å; V101-L103 PolarHBondContact O-N 3.35Å
102Y34.3Very low45.2Very low143 Ų143127 Ų12756%0.56164%0.639SS**  trans-56.595.5153.4-73.2-84.5000102.2G100 Y104G100-Y102 PolarHBondContact O-N 3.46Å; Y102-Y104 PolarHBondContact O-N 3.41Å
103L29.5Very low48.4Very low155 Ų155125.9 Ų125.981%0.81263%0.625SS**  trans-55.692.8161.9-82.4159.6000102.6V101 S105V101-L103 HydrophobicContact CG1-CG 4.28Å; V101-L103 PolarHBondContact O-N 3.35Å; L103-S105 PolarHBondContact O-N 2.9Å
104Y37.8Very low51.5Low137 Ų137120.6 Ų120.654%0.53760%0.603SS.*  trans-51.1104.9166.9-70.8-75.6000103.1Y102 K106 W274Y102-Y104 PolarHBondContact O-N 3.41Å; Y104-K106 PolarHBondContact O-N 3.48Å; Y104-K106 VanDerWaalsContact O-N 3.08Å; Y104-W274 HydrophobicContact CE1-CZ2 4.09Å
105S40.4Very low54.6Low104 Ų104117.5 Ų117.573%0.72759%0.587SS**  trans-48.3125.4165.156.70000103.8L103 Y107L103-S105 PolarHBondContact O-N 2.9Å; S105-Y107 PolarHBondContact O-N 3.31Å
106K47Very low58.1Low194 Ų194114.1 Ų114.184%0.84357%0.565SS**  trans-38.8110.1-175-79.1-179.2175.3-179.80108Y104 R108Y104-K106 PolarHBondContact O-N 3.48Å; Y104-K106 VanDerWaalsContact O-N 3.08Å; K106-R108 PolarHBondContact O-N 3Å
107Y53.8Low61.2Low99 Ų99110.5 Ų110.539%0.38854%0.538SS..  trans-51.3118.4-173.3169.5-96.2000107.8S105 E109 S240 P276S105-Y107 PolarHBondContact O-N 3.31Å; Y107-E109 HydrophobicContact CE1-CB 4.34Å; Y107-S240 PolarHBondContact OH-OG 3.49Å; Y107-P276 HydrophobicContact CD1-CB 3.51Å; Y107-P276 HydrophobicContact CD1-CG 3.72Å; Y107-P276 HydrophobicContact CD2-CB 3.93Å; Y107-P276 HydrophobicContact CD2-CG 3.46Å; Y107-P276 VanDerWaalsContact CD2-CG 3.46Å; Y107-P276 HydrophobicContact CE1-CB 3.86Å; Y107-P276 HydrophobicContact CE1-CG 3.64Å; Y107-P276 HydrophobicContact CE2-CB 4.24Å; Y107-P276 HydrophobicContact CE2-CG 3.38Å; Y107-P276 HydrophobicContact CG-CB 3.54Å; Y107-P276 HydrophobicContact CG-CG 3.63Å; Y107-P276 VanDerWaalsContact CZ-CG 3.47Å
108R65.9Low64.5Low216 Ų216103.5 Ų103.582%0.81551%0.505SS*.  trans-107.3125.3174-77.9-176177.3-178.2-1106.7K106 P110K106-R108 PolarHBondContact O-N 3Å; R108-P110 WeakPolarHBondContact O-CD 3.3Å
109E76.1Confident67.8Low122 Ų122100.9 Ų100.957%0.5748%0.484SS*.  trans-63.3126.6175.9-164.9175.8164.200109.2Y107 E111 K135Y107-E109 HydrophobicContact CE1-CB 4.34Å; E109-E111 PolarHBondContact O-N 3.1Å; E109-K135 IonicContact OE1-NZ 3.6Å; E109-K135 PolarHBondContact OE1-NZ 3.34Å
110P83.1Confident70.8Confident8 Ų898.9 Ų98.95%0.05248%0.483CS..  trans-67.2130.5-179.817.2-24.6000111.5R108 G132 K135R108-P110 WeakPolarHBondContact O-CD 3.3Å; P110-G132 WeakPolarHBondContact CB-O 2.89Å; P110-G132 WeakPolarHBondContact CG-O 3.46Å; P110-K135 HydrophobicContact CB-CG 4.26Å; P110-K135 HydrophobicContact CG-CG 3.88Å; P110-K135 WeakPolarHBondContact O-CD 3.43Å; P110-K135 WeakPolarHBondContact O-CE 3.48Å
111E86.4Confident74Confident182 Ų18296.7 Ų96.785%0.8546%0.459SS*.  trans-92.4-22.4175.8-63.9-178.2175.600112.5E109E109-E111 PolarHBondContact O-N 3.1Å
112K94.7Very high77.5Confident145 Ų14593.3 Ų93.363%0.6344%0.439SS*.EExtended strand (participates in β ladder)trans-89.7145.9-177.5-64.4-175.9-178.2179.40110.9Y134 K135K112-Y134 HydrophobicContact CB-CD1 3.7Å; K112-Y134 HydrophobicContact CB-CE1 3.88Å; K112-Y134 HydrophobicContact CD-CE1 4.22Å; K112-Y134 WeakPolarHBondContact O-CA 3.08Å; K112-K135 PolarHBondContact O-N 3.2Å
113Y96.8Very high80.5Confident115 Ų11586.6 Ų86.645%0.45141%0.413SS..EExtended strand (participates in β ladder)trans-108.2146.4173.3-72.1-99000110.4K135 K137Y113-K135 CarbonylContact C-O 3.49Å; Y113-K135 VanDerWaalsContact CA-O 3.28Å; Y113-K135 WeakPolarHBondContact CA-O 3.26Å; Y113-K135 HydrophobicContact CD1-CB 3.56Å; Y113-K135 HydrophobicContact CE1-CB 3.49Å; Y113-K135 VanDerWaalsContact CE1-CB 3.49Å; Y113-K135 HydrophobicContact CE1-CD 4.08Å; Y113-K135 HydrophobicContact CE1-CG 4.39Å; Y113-K135 HydrophobicContact CE2-CB 4.45Å; Y113-K135 HydrophobicContact CE2-CD 4.29Å; Y113-K135 HydrophobicContact CG-CB 4.08Å; Y113-K137 HydrophobicContact CD1-CB 4.01Å; Y113-K137 HydrophobicContact CD1-CD 4.1Å; Y113-K137 HydrophobicContact CD1-CG 4.19Å; Y113-K137 HydrophobicContact CG-CD 4.14Å
114I97.6Very high83.8Confident25 Ų2584.7 Ų84.713%0.12840%0.4CS..EExtended strand (participates in β ladder)trans-108.3138.3159.9-164.2170000108.9L116 L121 D125 L129 Y134 K135 I136 K137I114-L116 HydrophobicContact CG2-CD2 4.31Å; I114-L121 HydrophobicContact CD1-CD1 4.25Å; I114-D125 HydrophobicContact CD1-CB 3.64Å; I114-L129 HydrophobicContact CG2-CD1 4.03Å; I114-L129 HydrophobicContact CG2-CD2 3.74Å; I114-L129 HydrophobicContact CG2-CG 4.19Å; I114-Y134 HydrophobicContact CB-CG 4.49Å; I114-K135 PolarHBondContact N-O 3.41Å; I114-I136 HydrophobicContact CG2-CG1 4.19Å; I114-K137 PolarHBondContact O-N 3.36Å; I114-K137 VanDerWaalsContact O-N 3.08Å
115D97.8Very high86.7Confident71 Ų7180 Ų8038%0.3838%0.384SS..EExtended strand (participates in β ladder)trans-86120.1176.6-82.4-70.6000109.4K137 T139D115-K137 WeakPolarHBondContact CA-O 3.37Å; D115-K137 WeakPolarHBondContact OD1-CE 3.43Å; D115-K137 WeakPolarHBondContact OD1-CG 3.33Å; D115-K137 IonicContact OD1-NZ 3.71Å; D115-K137 WeakPolarHBondContact OD2-CE 3.49Å; D115-K137 IonicContact OD2-NZ 2.97Å; D115-K137 PolarHBondContact OD2-NZ 2.75Å; D115-T139 HydrophobicContact CB-CG2 3.91Å
116L98.4Very high89.5Confident1 Ų175.1 Ų75.11%0.00535%0.35CS..EExtended strand (participates in β ladder)trans-98.5128.7172.8-62-169.6000110.8I114 L121 I136 K137 L138 T139 I215 N216I114-L116 HydrophobicContact CG2-CD2 4.31Å; L116-L121 HydrophobicContact CD2-CD1 3.78Å; L116-L121 HydrophobicContact CD2-CD2 4.48Å; L116-I136 HydrophobicContact CB-CG2 4.45Å; L116-I136 HydrophobicContact CD1-CB 4.48Å; L116-I136 HydrophobicContact CD1-CD1 3.73Å; L116-I136 HydrophobicContact CD1-CG1 3.98Å; L116-I136 HydrophobicContact CD1-CG2 3.67Å; L116-I136 HydrophobicContact CG-CG1 4.34Å; L116-I136 HydrophobicContact CG-CG2 3.87Å; L116-K137 PolarHBondContact N-O 3.07Å; L116-L138 HydrophobicContact CB-CD2 4.35Å; L116-T139 PolarHBondContact O-N 3.13Å; L116-I215 HydrophobicContact CD1-CB 4.33Å; L116-I215 HydrophobicContact CD1-CG2 3.87Å; L116-N216 HydrophobicContact CD1-CB 4.21Å
117D98Very high91.9Very high32 Ų3266.8 Ų66.817%0.17132%0.315CS..  trans-112-19.8172.857.111.1000112.7D119 S120 T139 R145D117-D119 WeakPolarHBondContact OD1-CA 3.45Å; D117-D119 PolarHBondContact OD1-N 3.36Å; D117-S120 PolarHBondContact OD1-N 3.19Å; D117-S120 PolarHBondContact OD1-OG 3.38Å; D117-S120 VanDerWaalsContact OD1-OG 3.04Å; D117-S120 WeakPolarHBondContact OD2-CB 3.31Å; D117-S120 PolarHBondContact OD2-OG 3.43Å; D117-T139 HydrophobicContact CB-CG2 4Å; D117-R145 PolarHBondContact O-NH2 3.18Å
118G97.9Very high93.9Very high1 Ų163.3 Ų63.31%0.0130%0.303CS..SBendtrans8710-171.100000114.1N216 K220G118-N216 WeakPolarHBondContact CA-O 3.46Å; G118-N216 VanDerWaalsContact CA-OD1 3.24Å; G118-N216 WeakPolarHBondContact CA-OD1 3.45Å; G118-N216 PolarHBondContact N-OD1 2.9Å; G118-N216 VanDerWaalsContact N-OD1 3.13Å; G118-K220 WeakPolarHBondContact O-CD 3.42Å; G118-K220 WeakPolarHBondContact O-CG 3.45Å; G118-K220 PolarHBondContact O-NZ 3.29Å
119D97.9Very high95.4Very high73 Ų7353 Ų5339%0.3926%0.264SS..SBendtrans-132.2-31.5-172.5-64.6-64.6000113.6D117 R145 K220 N423D117-D119 WeakPolarHBondContact OD1-CA 3.45Å; D117-D119 PolarHBondContact OD1-N 3.36Å; D119-R145 IonicContact OD2-CZ 2.66Å; D119-R145 IonicContact OD2-NH1 3.29Å; D119-R145 IonicContact OD2-NH2 2.92Å; D119-R145 PolarHBondContact OD2-NH2 3.1Å; D119-K220 IonicContact OD1-NZ 2.66Å; D119-K220 PolarHBondContact OD1-NZ 2.93Å; D119-N423 VanDerWaalsContact C-OD1 3.27Å; D119-N423 VanDerWaalsContact O-CG 3.29Å; D119-N423 PolarHBondContact O-OD1 2.79Å
120S97.6Very high96.3Very high74 Ų7447.3 Ų47.352%0.51724%0.239SC..  trans-120.59.3-165.662.90000116D117 T122 N423D117-S120 PolarHBondContact OD1-N 3.19Å; D117-S120 PolarHBondContact OD1-OG 3.38Å; D117-S120 VanDerWaalsContact OD1-OG 3.04Å; D117-S120 WeakPolarHBondContact OD2-CB 3.31Å; D117-S120 PolarHBondContact OD2-OG 3.43Å; S120-T122 PolarHBondContact O-N 2.63Å; S120-N423 PolarHBondContact N-OD1 2.97Å
121L98.2Very high96.8Very high5 Ų552.7 Ų52.73%0.02626%0.261CS..  trans-66.8134.7179.7-171.663.7000110.4I114 L116 D125 L126 L129 N216 L422 N423I114-L121 HydrophobicContact CD1-CD1 4.25Å; L116-L121 HydrophobicContact CD2-CD1 3.78Å; L116-L121 HydrophobicContact CD2-CD2 4.48Å; L121-D125 HydrophobicContact CD1-CB 3.49Å; L121-D125 VanDerWaalsContact CD1-CB 3.49Å; L121-D125 HydrophobicContact CG-CB 4.42Å; L121-L126 HydrophobicContact CD2-CD1 4.16Å; L121-L129 HydrophobicContact CD1-CD1 4.21Å; L121-N216 HydrophobicContact CD2-CB 4.03Å; L121-L422 HydrophobicContact CB-CD2 4.33Å; L121-L422 HydrophobicContact CB-CG 4.42Å; L121-L422 HydrophobicContact CD2-CD1 4.09Å; L121-L422 HydrophobicContact CD2-CG 4.35Å; L121-L422 HydrophobicContact CG-CD2 4.24Å; L121-L422 HydrophobicContact CG-CG 4.43Å; L121-L422 WeakPolarHBondContact O-CD2 3.34Å; L121-N423 WeakPolarHBondContact CB-OD1 3.47Å; L121-N423 PolarHBondContact N-OD1 2.8Å; L121-N423 PolarHBondContact O-ND2 3.33Å
122T98.5Very high97.1Very high57 Ų5744.7 Ų44.735%0.3523%0.228SC..  trans-99.4163174.472.40000112.7S120 E124 D125 L126 L422S120-T122 PolarHBondContact O-N 2.63Å; T122-E124 VanDerWaalsContact C-N 3.26Å; T122-E124 PolarHBondContact O-N 2.99Å; T122-D125 WeakPolarHBondContact CB-OD2 3.47Å; T122-D125 WeakPolarHBondContact CG2-OD2 3.48Å; T122-D125 PolarHBondContact N-OD2 2.98Å; T122-D125 VanDerWaalsContact N-OD2 3.13Å; T122-D125 PolarHBondContact O-N 3.28Å; T122-D125 PolarHBondContact OG1-N 3.24Å; T122-D125 VanDerWaalsContact OG1-N 3.09Å; T122-D125 PolarHBondContact OG1-OD2 3.06Å; T122-L126 PolarHBondContact O-N 3.41Å; T122-L126 VanDerWaalsContact O-N 3.1Å; T122-L422 VanDerWaalsContact C-CD2 3.46Å
123T98.2Very high97Very high2 Ų242.5 Ų42.51%0.01222%0.22CC..Hα-helixtrans-60.1-37.8174.648.80000111.9L126 V127 C317 I320 E321 K415 I418 L422T123-L126 PolarHBondContact O-N 2.88Å; T123-V127 WeakPolarHBondContact O-CG2 3.04Å; T123-V127 PolarHBondContact O-N 3.28Å; T123-V127 VanDerWaalsContact O-N 3.15Å; T123-C317 HydrophobicContact CG2-CB 4.09Å; T123-I320 HydrophobicContact CG2-CD1 4.4Å; T123-E321 WeakPolarHBondContact CB-OE1 3.4Å; T123-E321 PolarHBondContact OG1-OE1 3.34Å; T123-K415 WeakPolarHBondContact OG1-CE 3.43Å; T123-K415 PolarHBondContact OG1-NZ 2.88Å; T123-I418 HydrophobicContact CG2-CG2 4.24Å; T123-L422 HydrophobicContact CG2-CD2 4.49Å
124E97.9Very high97Very high115 Ų11540 Ų4054%0.53721%0.21SC..Hα-helixtrans-66.2-45.5175.9178.6175.8-173.600111.9T122 L126 V127 N128T122-E124 VanDerWaalsContact C-N 3.26Å; T122-E124 PolarHBondContact O-N 2.99Å; E124-L126 VanDerWaalsContact C-N 3.27Å; E124-L126 PolarHBondContact O-N 2.99Å; E124-V127 PolarHBondContact O-N 3.44Å; E124-N128 WeakPolarHBondContact CG-ND2 3.28Å; E124-N128 WeakPolarHBondContact O-CB 3.35Å; E124-N128 PolarHBondContact O-N 2.87Å; E124-N128 PolarHBondContact O-ND2 3.24Å
125D98.3Very high97Very high40 Ų4040.2 Ų40.221%0.21421%0.21CC..Hα-helixtrans-57-43.5176.5-67.7-42.4000111.3I114 L121 T122 N128 L129I114-D125 HydrophobicContact CD1-CB 3.64Å; L121-D125 HydrophobicContact CD1-CB 3.49Å; L121-D125 VanDerWaalsContact CD1-CB 3.49Å; L121-D125 HydrophobicContact CG-CB 4.42Å; T122-D125 WeakPolarHBondContact CB-OD2 3.47Å; T122-D125 WeakPolarHBondContact CG2-OD2 3.48Å; T122-D125 PolarHBondContact N-OD2 2.98Å; T122-D125 VanDerWaalsContact N-OD2 3.13Å; T122-D125 PolarHBondContact O-N 3.28Å; T122-D125 PolarHBondContact OG1-N 3.24Å; T122-D125 VanDerWaalsContact OG1-N 3.09Å; T122-D125 PolarHBondContact OG1-OD2 3.06Å; D125-N128 PolarHBondContact O-N 2.63Å; D125-L129 WeakPolarHBondContact O-CB 3.31Å; D125-L129 WeakPolarHBondContact O-CG 3.36Å; D125-L129 PolarHBondContact O-N 2.89Å
126L98.6Very high97Very high0 Ų036.9 Ų36.90%019%0.192CC..Hα-helixtrans-63.4-45.2178.6-171.467.4000111.9L121 T122 T123 E124 N128 L129 G130 M209 A212 L213 C317 L422L121-L126 HydrophobicContact CD2-CD1 4.16Å; T122-L126 PolarHBondContact O-N 3.41Å; T122-L126 VanDerWaalsContact O-N 3.1Å; T123-L126 PolarHBondContact O-N 2.88Å; E124-L126 VanDerWaalsContact C-N 3.27Å; E124-L126 PolarHBondContact O-N 2.99Å; L126-N128 VanDerWaalsContact C-N 3.3Å; L126-N128 PolarHBondContact O-N 3.2Å; L126-L129 WeakPolarHBondContact O-CB 3.31Å; L126-L129 PolarHBondContact O-N 3.04Å; L126-G130 PolarHBondContact O-N 2.89Å; L126-M209 HydrophobicContact CD1-CB 4.32Å; L126-M209 WeakPolarHBondContact CD1-O 3.38Å; L126-M209 HydrophobicContact CD2-CB 4.42Å; L126-M209 HydrophobicContact CD2-CE 4.03Å; L126-M209 HydrophobicContact CG-CB 4.11Å; L126-M209 HydrophobicContact CG-CE 4.03Å; L126-M209 HydrophobicContact CG-CG 4.26Å; L126-M209 WeakPolarHBondContact O-CG 3.32Å; L126-A212 HydrophobicContact CD1-CB 3.8Å; L126-L213 HydrophobicContact CD1-CB 4.1Å; L126-L213 HydrophobicContact CD2-CB 4.37Å; L126-L213 HydrophobicContact CD2-CD2 4.33Å; L126-C317 HydrophobicContact CD2-CB 3.9Å; L126-L422 HydrophobicContact CD2-CD1 3.79Å
127V97.8Very high97Very high20 Ų2041.3 Ų41.312%0.12121%0.211CC..Hα-helixtrans-62-39.9176.1169.30000110.9T123 E124 G130 K131 M209 E321T123-V127 WeakPolarHBondContact O-CG2 3.04Å; T123-V127 PolarHBondContact O-N 3.28Å; T123-V127 VanDerWaalsContact O-N 3.15Å; E124-V127 PolarHBondContact O-N 3.44Å; V127-G130 WeakPolarHBondContact O-CA 3.35Å; V127-G130 PolarHBondContact O-N 2.66Å; V127-K131 HydrophobicContact CG1-CD 4.41Å; V127-K131 WeakPolarHBondContact O-CG 3.37Å; V127-K131 PolarHBondContact O-N 2.88Å; V127-M209 HydrophobicContact CG2-CE 3.86Å; V127-E321 HydrophobicContact CG2-CB 4.23Å; V127-E321 HydrophobicContact CG2-CG 3.95Å
128N96.4Very high97Very high25 Ų2540.7 Ų40.713%0.13421%0.208CC..Hα-helixtrans-68.9-34.4176.8-75.6-37.6000113.1E124 D125 L126 G130 K131 G132 H133 Y134E124-N128 WeakPolarHBondContact CG-ND2 3.28Å; E124-N128 WeakPolarHBondContact O-CB 3.35Å; E124-N128 PolarHBondContact O-N 2.87Å; E124-N128 PolarHBondContact O-ND2 3.24Å; D125-N128 PolarHBondContact O-N 2.63Å; L126-N128 VanDerWaalsContact C-N 3.3Å; L126-N128 PolarHBondContact O-N 3.2Å; N128-G130 VanDerWaalsContact C-N 3.32Å; N128-K131 PolarHBondContact O-N 3.1Å; N128-G132 PolarHBondContact O-N 2.75Å; N128-H133 HydrophobicContact CB-CB 4.49Å; N128-H133 WeakPolarHBondContact O-CB 3.37Å; N128-H133 PolarHBondContact O-N 3.15Å; N128-H133 VanDerWaalsContact O-N 3.09Å; N128-H133 PolarHBondContact OD1-ND1 2.91Å; N128-Y134 HydrophobicContact CB-CD2 4Å; N128-Y134 HydrophobicContact CB-CE2 3.78Å
129L97.1Very high97Very high0 Ų041.9 Ų41.90%022%0.215CC..Hα-helixtrans-61.2-43.4168.6-79.6163.5000110.7I114 L121 D125 L126 K131 G132 I136 R208 A212 F237I114-L129 HydrophobicContact CG2-CD1 4.03Å; I114-L129 HydrophobicContact CG2-CD2 3.74Å; I114-L129 HydrophobicContact CG2-CG 4.19Å; L121-L129 HydrophobicContact CD1-CD1 4.21Å; D125-L129 WeakPolarHBondContact O-CB 3.31Å; D125-L129 WeakPolarHBondContact O-CG 3.36Å; D125-L129 PolarHBondContact O-N 2.89Å; L126-L129 WeakPolarHBondContact O-CB 3.31Å; L126-L129 PolarHBondContact O-N 3.04Å; L129-K131 PolarHBondContact O-N 3.13Å; L129-G132 PolarHBondContact O-N 3.03Å; L129-I136 HydrophobicContact CD1-CD1 4.5Å; L129-I136 HydrophobicContact CD2-CD1 4.15Å; L129-I136 HydrophobicContact CD2-CG1 3.76Å; L129-R208 WeakPolarHBondContact O-CD 3.42Å; L129-R208 WeakPolarHBondContact O-CG 2.78Å; L129-R208 PolarHBondContact O-NE 3.05Å; L129-A212 HydrophobicContact CB-CB 4.27Å; L129-A212 HydrophobicContact CD1-CB 3.97Å; L129-F237 HydrophobicContact CB-CZ 4.18Å; L129-F237 HydrophobicContact CD2-CE1 3.82Å; L129-F237 HydrophobicContact CD2-CZ 3.56Å; L129-F237 HydrophobicContact CG-CZ 4.45Å
130G95.9Very high97.1Very high3 Ų342.4 Ų42.43%0.03122%0.222CC..Hα-helixtrans-56.4-44173.100000113.5L126 V127 N128 G132 E205L126-G130 PolarHBondContact O-N 2.89Å; V127-G130 WeakPolarHBondContact O-CA 3.35Å; V127-G130 PolarHBondContact O-N 2.66Å; N128-G130 VanDerWaalsContact C-N 3.32Å; G130-G132 PolarHBondContact O-N 3.44Å; G130-G132 VanDerWaalsContact O-N 3.13Å; G130-E205 WeakPolarHBondContact CA-O 3.48Å; G130-E205 WeakPolarHBondContact O-CA 3.16Å
131K92.7Very high97.1Very high120 Ų12042.9 Ų42.952%0.52222%0.222SC..THydrogen-bonded Turntrans-69-3.8175.8-67.9173.3-178.4174.70114.3V127 N128 L129 H133V127-K131 HydrophobicContact CG1-CD 4.41Å; V127-K131 WeakPolarHBondContact O-CG 3.37Å; V127-K131 PolarHBondContact O-N 2.88Å; N128-K131 PolarHBondContact O-N 3.1Å; L129-K131 PolarHBondContact O-N 3.13Å; K131-H133 VanDerWaalsContact C-N 3.34Å
132G92.6Very high97.1Very high15 Ų1542.7 Ų42.716%0.15522%0.221CC..THydrogen-bonded Turntrans7422.2-179.400000114P110 N128 L129 G130 Y134P110-G132 WeakPolarHBondContact CB-O 2.89Å; P110-G132 WeakPolarHBondContact CG-O 3.46Å; N128-G132 PolarHBondContact O-N 2.75Å; L129-G132 PolarHBondContact O-N 3.03Å; G130-G132 PolarHBondContact O-N 3.44Å; G130-G132 VanDerWaalsContact O-N 3.13Å; G132-Y134 VanDerWaalsContact C-N 3.32Å
133H92.8Very high97.1Very high99 Ų9942.7 Ų42.746%0.45822%0.217SC..  trans-76-20.5179-65.4172.1000113.5N128 K131N128-H133 HydrophobicContact CB-CB 4.49Å; N128-H133 WeakPolarHBondContact O-CB 3.37Å; N128-H133 PolarHBondContact O-N 3.15Å; N128-H133 VanDerWaalsContact O-N 3.09Å; N128-H133 PolarHBondContact OD1-ND1 2.91Å; K131-H133 VanDerWaalsContact C-N 3.34Å
134Y96.5Very high97.1Very high63 Ų6349.4 Ų49.425%0.24725%0.246CC..EExtended strand (participates in β ladder)trans-134.5149-174.6-59.9-81.1000113K112 I114 N128 G132 R208K112-Y134 HydrophobicContact CB-CD1 3.7Å; K112-Y134 HydrophobicContact CB-CE1 3.88Å; K112-Y134 HydrophobicContact CD-CE1 4.22Å; K112-Y134 WeakPolarHBondContact O-CA 3.08Å; I114-Y134 HydrophobicContact CB-CG 4.49Å; N128-Y134 HydrophobicContact CB-CD2 4Å; N128-Y134 HydrophobicContact CB-CE2 3.78Å; G132-Y134 VanDerWaalsContact C-N 3.32Å; Y134-R208 PolarHBondContact O-NH2 3.48Å
135K97.4Very high97.1Very high28 Ų2847.2 Ų47.212%0.12223%0.233CC..EExtended strand (participates in β ladder)trans-89.5159157.5-69.3-176.6173.61710109.6E109 P110 K112 Y113 I114 N238E109-K135 IonicContact OE1-NZ 3.6Å; E109-K135 PolarHBondContact OE1-NZ 3.34Å; P110-K135 HydrophobicContact CB-CG 4.26Å; P110-K135 HydrophobicContact CG-CG 3.88Å; P110-K135 WeakPolarHBondContact O-CD 3.43Å; P110-K135 WeakPolarHBondContact O-CE 3.48Å; K112-K135 PolarHBondContact O-N 3.2Å; Y113-K135 CarbonylContact C-O 3.49Å; Y113-K135 VanDerWaalsContact CA-O 3.28Å; Y113-K135 WeakPolarHBondContact CA-O 3.26Å; Y113-K135 HydrophobicContact CD1-CB 3.56Å; Y113-K135 HydrophobicContact CE1-CB 3.49Å; Y113-K135 VanDerWaalsContact CE1-CB 3.49Å; Y113-K135 HydrophobicContact CE1-CD 4.08Å; Y113-K135 HydrophobicContact CE1-CG 4.39Å; Y113-K135 HydrophobicContact CE2-CB 4.45Å; Y113-K135 HydrophobicContact CE2-CD 4.29Å; Y113-K135 HydrophobicContact CG-CB 4.08Å; I114-K135 PolarHBondContact N-O 3.41Å; K135-N238 WeakPolarHBondContact CA-OD1 3.35Å; K135-N238 VanDerWaalsContact CB-OD1 3.25Å; K135-N238 WeakPolarHBondContact CB-OD1 3.36Å; K135-N238 HydrophobicContact CD-CB 4.31Å; K135-N238 HydrophobicContact CG-CB 4.21Å
136I98.4Very high97.2Very high1 Ų145.4 Ų45.41%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-102.9141.4175.5-71.2168.5000109.8I114 L116 L129 A212 I215 I234 F237 N238I114-I136 HydrophobicContact CG2-CG1 4.19Å; L116-I136 HydrophobicContact CB-CG2 4.45Å; L116-I136 HydrophobicContact CD1-CB 4.48Å; L116-I136 HydrophobicContact CD1-CD1 3.73Å; L116-I136 HydrophobicContact CD1-CG1 3.98Å; L116-I136 HydrophobicContact CD1-CG2 3.67Å; L116-I136 HydrophobicContact CG-CG1 4.34Å; L116-I136 HydrophobicContact CG-CG2 3.87Å; L129-I136 HydrophobicContact CD1-CD1 4.5Å; L129-I136 HydrophobicContact CD2-CD1 4.15Å; L129-I136 HydrophobicContact CD2-CG1 3.76Å; I136-A212 HydrophobicContact CD1-CB 3.89Å; I136-I215 HydrophobicContact CD1-CD1 3.95Å; I136-I215 HydrophobicContact CG2-CG2 4.11Å; I136-I234 HydrophobicContact CB-CG2 4.27Å; I136-I234 HydrophobicContact CG2-CD1 4.26Å; I136-I234 HydrophobicContact CG2-CG1 4.09Å; I136-I234 HydrophobicContact CG2-CG2 4.13Å; I136-I234 VanDerWaalsContact O-CG2 3.28Å; I136-I234 WeakPolarHBondContact O-CG2 3.36Å; I136-F237 HydrophobicContact CB-CD1 4.11Å; I136-F237 HydrophobicContact CB-CE1 4.24Å; I136-F237 HydrophobicContact CD1-CD1 3.56Å; I136-F237 HydrophobicContact CD1-CD2 4.11Å; I136-F237 HydrophobicContact CD1-CE1 3.43Å; I136-F237 VanDerWaalsContact CD1-CE1 3.43Å; I136-F237 HydrophobicContact CD1-CE2 3.96Å; I136-F237 HydrophobicContact CD1-CG 3.93Å; I136-F237 HydrophobicContact CD1-CZ 3.65Å; I136-F237 HydrophobicContact CG1-CD1 3.84Å; I136-F237 HydrophobicContact CG1-CE1 3.54Å; I136-F237 HydrophobicContact CG1-CZ 4.14Å; I136-N238 PolarHBondContact N-OD1 2.85Å; I136-N238 PolarHBondContact O-ND2 2.72Å
137K97.9Very high97.2Very high95 Ų9549.1 Ų49.141%0.41324%0.241SC..EExtended strand (participates in β ladder)trans-136.5157158.567.7-171.5-170.2-170.40109.2Y113 I114 D115 L116Y113-K137 HydrophobicContact CD1-CB 4.01Å; Y113-K137 HydrophobicContact CD1-CD 4.1Å; Y113-K137 HydrophobicContact CD1-CG 4.19Å; Y113-K137 HydrophobicContact CG-CD 4.14Å; I114-K137 PolarHBondContact O-N 3.36Å; I114-K137 VanDerWaalsContact O-N 3.08Å; D115-K137 WeakPolarHBondContact CA-O 3.37Å; D115-K137 WeakPolarHBondContact OD1-CE 3.43Å; D115-K137 WeakPolarHBondContact OD1-CG 3.33Å; D115-K137 IonicContact OD1-NZ 3.71Å; D115-K137 WeakPolarHBondContact OD2-CE 3.49Å; D115-K137 IonicContact OD2-NZ 2.97Å; D115-K137 PolarHBondContact OD2-NZ 2.75Å; L116-K137 PolarHBondContact N-O 3.07Å
138L98.6Very high97.2Very high18 Ų1854.1 Ų54.19%0.09426%0.261CS..EExtended strand (participates in β ladder)trans-88.1146.9177.1-63.2-179.6000111L116 E143 I215 A219 L227 L230 I234L116-L138 HydrophobicContact CB-CD2 4.35Å; L138-E143 HydrophobicContact CB-CG 3.82Å; L138-E143 HydrophobicContact CD1-CG 4.13Å; L138-I215 HydrophobicContact CD2-CG2 4.42Å; L138-A219 HydrophobicContact CD2-CB 3.66Å; L138-L227 HydrophobicContact CD1-CD1 4Å; L138-L230 HydrophobicContact CD1-CD2 3.69Å; L138-L230 HydrophobicContact CD1-CG 4.11Å; L138-I234 HydrophobicContact CD1-CD1 3.97Å; L138-I234 HydrophobicContact CD2-CD1 3.81Å; L138-I234 HydrophobicContact CG-CD1 3.57Å
139T98.6Very high97.3Very high26 Ų2653 Ų5316%0.1626%0.255CS..  trans-68.5149.5165.464.30000110.8D115 L116 D117 T141 A142 E143D115-T139 HydrophobicContact CB-CG2 3.91Å; L116-T139 PolarHBondContact O-N 3.13Å; D117-T139 HydrophobicContact CB-CG2 4Å; T139-T141 PolarHBondContact O-N 3.49Å; T139-T141 VanDerWaalsContact O-N 3.12Å; T139-A142 PolarHBondContact O-N 2.98Å; T139-A142 WeakPolarHBondContact OG1-CB 3.28Å; T139-A142 PolarHBondContact OG1-N 3.3Å; T139-E143 PolarHBondContact O-N 3.26Å
140P98.4Very high97.3Very high85 Ų8553.4 Ų53.455%0.55226%0.256SS*.Hα-helixtrans-57.4-29.5176-26.735000113.6K144P140-K144 WeakPolarHBondContact O-CG 3.31Å; P140-K144 PolarHBondContact O-N 2.87Å
141T98.1Very high97.4Very high84 Ų8457.9 Ų57.952%0.51528%0.277SS..Hα-helixtrans-70.5-42.9176.7-54.40000111.3T139 K144 R145T139-T141 PolarHBondContact O-N 3.49Å; T139-T141 VanDerWaalsContact O-N 3.12Å; T141-K144 PolarHBondContact O-N 2.9Å; T141-R145 WeakPolarHBondContact O-CG 3.16Å; T141-R145 PolarHBondContact O-N 3.07Å
142A98.6Very high97.6Very high0 Ų053 Ų530%026%0.256CS..Hα-helixtrans-62.6-44.3174.700000111.9T139 K144 R145 V146 A219T139-A142 PolarHBondContact O-N 2.98Å; T139-A142 WeakPolarHBondContact OG1-CB 3.28Å; T139-A142 PolarHBondContact OG1-N 3.3Å; A142-K144 VanDerWaalsContact C-N 3.29Å; A142-K144 PolarHBondContact O-N 2.92Å; A142-R145 PolarHBondContact O-N 2.99Å; A142-R145 VanDerWaalsContact O-N 3.09Å; A142-V146 WeakPolarHBondContact O-CG2 3.48Å; A142-V146 PolarHBondContact O-N 3.1Å; A142-A219 HydrophobicContact CB-CB 4.2Å; A142-A219 WeakPolarHBondContact CB-O 3.34Å
143E98.7Very high97.7Very high57 Ų5752.2 Ų52.227%0.26625%0.249SC..Hα-helixtrans-55.1-45.8175.7-65.3-166136.500111.7L138 T139 R145 V146 Q147 L227 K231L138-E143 HydrophobicContact CB-CG 3.82Å; L138-E143 HydrophobicContact CD1-CG 4.13Å; T139-E143 PolarHBondContact O-N 3.26Å; E143-R145 PolarHBondContact O-N 3.2Å; E143-V146 PolarHBondContact O-N 2.78Å; E143-Q147 WeakPolarHBondContact O-CB 3.18Å; E143-Q147 PolarHBondContact O-N 3.06Å; E143-L227 HydrophobicContact CB-CD1 4.13Å; E143-L227 HydrophobicContact CB-CD2 4.22Å; E143-L227 HydrophobicContact CG-CD1 4.02Å; E143-K231 WeakPolarHBondContact OE1-CE 3.22Å; E143-K231 IonicContact OE1-NZ 3.87Å; E143-K231 PolarHBondContact OE1-NZ 3.18Å
144K98.5Very high97.8Very high144 Ų14450.3 Ų50.363%0.62624%0.242SC*.Hα-helixtrans-63-39.6177-72.7174-176.4178.10112.7P140 T141 A142 K148P140-K144 WeakPolarHBondContact O-CG 3.31Å; P140-K144 PolarHBondContact O-N 2.87Å; T141-K144 PolarHBondContact O-N 2.9Å; A142-K144 VanDerWaalsContact C-N 3.29Å; A142-K144 PolarHBondContact O-N 2.92Å; K144-K148 WeakPolarHBondContact O-CG 3.13Å; K144-K148 PolarHBondContact O-N 3.14Å; K144-K148 VanDerWaalsContact O-N 3.09Å
145R98.4Very high97.7Very high69 Ų6949.9 Ų49.926%0.2625%0.248SC..Hα-helixtrans-66-45.1177.5-72.4-169.1-66.7-118.912.1111.6D117 D119 T141 A142 E143 Q147 K148 S149 K220D117-R145 PolarHBondContact O-NH2 3.18Å; D119-R145 IonicContact OD2-CZ 2.66Å; D119-R145 IonicContact OD2-NH1 3.29Å; D119-R145 IonicContact OD2-NH2 2.92Å; D119-R145 PolarHBondContact OD2-NH2 3.1Å; T141-R145 WeakPolarHBondContact O-CG 3.16Å; T141-R145 PolarHBondContact O-N 3.07Å; A142-R145 PolarHBondContact O-N 2.99Å; A142-R145 VanDerWaalsContact O-N 3.09Å; E143-R145 PolarHBondContact O-N 3.2Å; R145-Q147 VanDerWaalsContact C-N 3.33Å; R145-Q147 PolarHBondContact O-N 3.39Å; R145-K148 PolarHBondContact O-N 3.02Å; R145-S149 WeakPolarHBondContact O-CB 3.36Å; R145-S149 PolarHBondContact O-N 3.18Å; R145-K220 WeakPolarHBondContact CD-O 3.43Å; R145-K220 PolarHBondContact NE-O 2.75Å
146V98.7Very high97.4Very high1 Ų149.2 Ų49.21%0.00625%0.246CC..Hα-helixtrans-59.3-46.4176.8174.30000110.5A142 E143 K148 S149 R150 L218 I225 L227 L230A142-V146 WeakPolarHBondContact O-CG2 3.48Å; A142-V146 PolarHBondContact O-N 3.1Å; E143-V146 PolarHBondContact O-N 2.78Å; V146-K148 PolarHBondContact O-N 3.5Å; V146-S149 WeakPolarHBondContact O-CB 3.31Å; V146-S149 PolarHBondContact O-N 3.34Å; V146-R150 PolarHBondContact O-N 3.31Å; V146-L218 WeakPolarHBondContact CG2-O 3.36Å; V146-I225 HydrophobicContact CG1-CG2 4Å; V146-I225 WeakPolarHBondContact CG1-O 3.28Å; V146-L227 HydrophobicContact CG1-CB 4.36Å; V146-L230 HydrophobicContact CG1-CD2 4.31Å; V146-L230 HydrophobicContact CG2-CD2 3.93Å
147Q98.6Very high97Very high79 Ų7950.4 Ų50.437%0.36925%0.252SS..Hα-helixtrans-59.6-49178.5-169.462.543.900112.3E143 R145 S149 R150 E151E143-Q147 WeakPolarHBondContact O-CB 3.18Å; E143-Q147 PolarHBondContact O-N 3.06Å; R145-Q147 VanDerWaalsContact C-N 3.33Å; R145-Q147 PolarHBondContact O-N 3.39Å; Q147-S149 VanDerWaalsContact C-N 3.31Å; Q147-S149 PolarHBondContact O-N 2.98Å; Q147-R150 WeakPolarHBondContact O-CB 3.49Å; Q147-R150 PolarHBondContact O-N 3.29Å; Q147-R150 VanDerWaalsContact O-N 3.09Å; Q147-E151 WeakPolarHBondContact O-CG 3.36Å; Q147-E151 PolarHBondContact O-N 3.41Å
148K98.3Very high96.6Very high125 Ų12553.1 Ų53.154%0.54327%0.266SS..Hα-helixtrans-61.8-37.6177.3-73.6-178.6176-169.60113.1K144 R145 V146 R150 A433K144-K148 WeakPolarHBondContact O-CG 3.13Å; K144-K148 PolarHBondContact O-N 3.14Å; K144-K148 VanDerWaalsContact O-N 3.09Å; R145-K148 PolarHBondContact O-N 3.02Å; V146-K148 PolarHBondContact O-N 3.5Å; K148-R150 VanDerWaalsContact C-N 3.31Å; K148-A433 HydrophobicContact CB-CB 3.87Å; K148-A433 WeakPolarHBondContact O-CB 3.38Å
149S97.9Very high96.2Very high1 Ų159 Ų591%0.00729%0.293CS..Hα-helixtrans-63.1-41.5174.2-166.40000111R145 V146 Q147 V152 G221 G224 V431R145-S149 WeakPolarHBondContact O-CB 3.36Å; R145-S149 PolarHBondContact O-N 3.18Å; V146-S149 WeakPolarHBondContact O-CB 3.31Å; V146-S149 PolarHBondContact O-N 3.34Å; Q147-S149 VanDerWaalsContact C-N 3.31Å; Q147-S149 PolarHBondContact O-N 2.98Å; S149-V152 PolarHBondContact O-N 2.92Å; S149-G221 WeakPolarHBondContact CB-O 3.3Å; S149-G221 PolarHBondContact OG-O 3.45Å; S149-G224 WeakPolarHBondContact OG-CA 3.13Å; S149-G224 PolarHBondContact OG-N 3.45Å; S149-V431 WeakPolarHBondContact O-CG1 3.23Å; S149-V431 WeakPolarHBondContact OG-CB 3.46Å; S149-V431 WeakPolarHBondContact OG-CG1 3.47Å
150R98Very high95.6Very high8 Ų865.2 Ų65.23%0.0332%0.318CS..Hα-helixtrans-65.7-41.1178.8-177.864-149.1-178.74.3112.6V146 Q147 K148 V152 I153 D154 G224 P299V146-R150 PolarHBondContact O-N 3.31Å; Q147-R150 WeakPolarHBondContact O-CB 3.49Å; Q147-R150 PolarHBondContact O-N 3.29Å; Q147-R150 VanDerWaalsContact O-N 3.09Å; K148-R150 VanDerWaalsContact C-N 3.31Å; R150-V152 PolarHBondContact O-N 2.9Å; R150-I153 WeakPolarHBondContact O-CA 3.26Å; R150-I153 WeakPolarHBondContact O-CB 3.33Å; R150-I153 PolarHBondContact O-N 2.86Å; R150-D154 IonicContact CZ-OD1 3.97Å; R150-D154 IonicContact NE-OD1 3.45Å; R150-D154 PolarHBondContact NE-OD1 2.91Å; R150-D154 IonicContact NE-OD2 3.68Å; R150-D154 PolarHBondContact NE-OD2 3.44Å; R150-D154 IonicContact NH2-OD1 3.72Å; R150-D154 PolarHBondContact NH2-OD1 2.9Å; R150-D154 PolarHBondContact O-N 3.35Å; R150-G224 WeakPolarHBondContact CD-O 3.49Å; R150-G224 PolarHBondContact NH1-O 2.85Å; R150-P299 PolarHBondContact NH1-O 2.89Å
151E97.9Very high94.9Very high98 Ų9864 Ų6446%0.45831%0.309SS..Hα-helixtrans-53.2-41.1177.3-72.3161.9-167.200112Q147 I153 D154 S155Q147-E151 WeakPolarHBondContact O-CG 3.36Å; Q147-E151 PolarHBondContact O-N 3.41Å; E151-I153 PolarHBondContact O-N 3.41Å; E151-D154 PolarHBondContact O-N 3.13Å; E151-S155 PolarHBondContact O-N 3.1Å; E151-S155 PolarHBondContact O-OG 3.31Å; E151-S155 VanDerWaalsContact O-OG 3.13Å
152V96.8Very high94.1Very high16 Ų1664.4 Ų64.410%0.09731%0.311CS..Hα-helixtrans-62.9-40.3175.5177.20000112.4S149 R150 D154 S155 I156 V431 A433S149-V152 PolarHBondContact O-N 2.92Å; R150-V152 PolarHBondContact O-N 2.9Å; V152-D154 VanDerWaalsContact C-N 3.34Å; V152-S155 PolarHBondContact O-N 3.18Å; V152-I156 HydrophobicContact CG1-CD1 4.02Å; V152-I156 WeakPolarHBondContact O-CD1 3.26Å; V152-I156 VanDerWaalsContact O-CG1 3.31Å; V152-I156 WeakPolarHBondContact O-CG1 3.44Å; V152-I156 PolarHBondContact O-N 3.35Å; V152-I156 VanDerWaalsContact O-N 3.07Å; V152-V431 HydrophobicContact CB-CG1 3.89Å; V152-V431 HydrophobicContact CG1-CG1 4.02Å; V152-V431 HydrophobicContact CG2-CG1 4.42Å; V152-A433 HydrophobicContact CG2-CB 4.26Å
153I95.6Very high93.3Very high0 Ų065.2 Ų65.20%032%0.316CS..Hα-helixtrans-65.8-42178.2-56.7-41.3000110.7R150 E151 I156 I157 I166 K300 V431 T438R150-I153 WeakPolarHBondContact O-CA 3.26Å; R150-I153 WeakPolarHBondContact O-CB 3.33Å; R150-I153 PolarHBondContact O-N 2.86Å; E151-I153 PolarHBondContact O-N 3.41Å; I153-I156 HydrophobicContact CD1-CD1 4.45Å; I153-I156 PolarHBondContact O-N 3.06Å; I153-I157 HydrophobicContact CG2-CD1 3.99Å; I153-I157 VanDerWaalsContact O-CD1 3.31Å; I153-I157 WeakPolarHBondContact O-CD1 3.25Å; I153-I157 VanDerWaalsContact O-CG1 3.31Å; I153-I157 WeakPolarHBondContact O-CG1 3.42Å; I153-I157 PolarHBondContact O-N 2.82Å; I153-I166 HydrophobicContact CD1-CD1 3.66Å; I153-I166 HydrophobicContact CG2-CD1 4.46Å; I153-I166 HydrophobicContact CG2-CG2 4.14Å; I153-K300 HydrophobicContact CD1-CD 3.84Å; I153-K300 HydrophobicContact CG1-CD 4.13Å; I153-K300 HydrophobicContact CG2-CB 4.4Å; I153-V431 HydrophobicContact CD1-CB 4.49Å; I153-V431 HydrophobicContact CD1-CG1 4.04Å; I153-V431 HydrophobicContact CD1-CG2 3.58Å; I153-V431 HydrophobicContact CG1-CG2 4.38Å; I153-T438 HydrophobicContact CD1-CG2 4.13Å
154D94.9Very high92.4Very high59 Ų5965.4 Ų65.432%0.31632%0.315SS..Hα-helixtrans-63.4-44.5178.4-65.9-28.4000111R150 E151 V152 I156 I157 E158R150-D154 IonicContact CZ-OD1 3.97Å; R150-D154 IonicContact NE-OD1 3.45Å; R150-D154 PolarHBondContact NE-OD1 2.91Å; R150-D154 IonicContact NE-OD2 3.68Å; R150-D154 PolarHBondContact NE-OD2 3.44Å; R150-D154 IonicContact NH2-OD1 3.72Å; R150-D154 PolarHBondContact NH2-OD1 2.9Å; R150-D154 PolarHBondContact O-N 3.35Å; E151-D154 PolarHBondContact O-N 3.13Å; V152-D154 VanDerWaalsContact C-N 3.34Å; D154-I156 PolarHBondContact O-N 3.49Å; D154-I157 PolarHBondContact O-N 2.94Å; D154-I157 VanDerWaalsContact O-N 3.15Å; D154-E158 WeakPolarHBondContact O-CG 3.38Å; D154-E158 PolarHBondContact O-N 3.05Å
155S93.9Very high91.4Very high53 Ų5358.5 Ų58.537%0.37129%0.285SS..Hα-helixtrans-60.6-41175.1-57.20000113.1E151 V152 I157 E158 E159E151-S155 PolarHBondContact O-N 3.1Å; E151-S155 PolarHBondContact O-OG 3.31Å; E151-S155 VanDerWaalsContact O-OG 3.13Å; V152-S155 PolarHBondContact O-N 3.18Å; S155-I157 PolarHBondContact O-N 3.42Å; S155-E158 PolarHBondContact O-N 2.84Å; S155-E159 WeakPolarHBondContact O-CB 3.28Å; S155-E159 WeakPolarHBondContact O-CG 3.23Å; S155-E159 PolarHBondContact O-N 3.47Å
156I90.4Very high90.7Very high15 Ų1555.2 Ų55.28%0.07727%0.273CS..Hα-helixtrans-57.7-39.6176-75.3163.8000111.6V152 I153 D154 K160 T161 V163 I166 T438V152-I156 HydrophobicContact CG1-CD1 4.02Å; V152-I156 WeakPolarHBondContact O-CD1 3.26Å; V152-I156 VanDerWaalsContact O-CG1 3.31Å; V152-I156 WeakPolarHBondContact O-CG1 3.44Å; V152-I156 PolarHBondContact O-N 3.35Å; V152-I156 VanDerWaalsContact O-N 3.07Å; I153-I156 HydrophobicContact CD1-CD1 4.45Å; I153-I156 PolarHBondContact O-N 3.06Å; D154-I156 PolarHBondContact O-N 3.49Å; I156-K160 PolarHBondContact O-N 2.82Å; I156-T161 PolarHBondContact O-N 3.34Å; I156-V163 HydrophobicContact CD1-CG2 4.25Å; I156-V163 HydrophobicContact CG1-CG2 4.44Å; I156-V163 HydrophobicContact CG2-CB 4.13Å; I156-V163 HydrophobicContact CG2-CG2 3.61Å; I156-I166 HydrophobicContact CD1-CD1 4.28Å; I156-I166 HydrophobicContact CG2-CG2 4.24Å; I156-T438 HydrophobicContact CD1-CG2 3.66Å
157I89.4Confident90.1Very high26 Ų2655.5 Ų55.513%0.13327%0.274CS..Hα-helixtrans-73.1-44-179-63.5156.7000110.4I153 D154 S155 E159 K160 I166 I180 L183 P299I153-I157 HydrophobicContact CG2-CD1 3.99Å; I153-I157 VanDerWaalsContact O-CD1 3.31Å; I153-I157 WeakPolarHBondContact O-CD1 3.25Å; I153-I157 VanDerWaalsContact O-CG1 3.31Å; I153-I157 WeakPolarHBondContact O-CG1 3.42Å; I153-I157 PolarHBondContact O-N 2.82Å; D154-I157 PolarHBondContact O-N 2.94Å; D154-I157 VanDerWaalsContact O-N 3.15Å; S155-I157 PolarHBondContact O-N 3.42Å; I157-E159 VanDerWaalsContact C-N 3.33Å; I157-E159 PolarHBondContact O-N 3.27Å; I157-K160 PolarHBondContact O-N 2.95Å; I157-K160 VanDerWaalsContact O-N 3.16Å; I157-I166 HydrophobicContact CG1-CG2 4.17Å; I157-I180 HydrophobicContact CG2-CG2 4.17Å; I157-L183 HydrophobicContact CG2-CD1 4.47Å; I157-P299 HydrophobicContact CD1-CB 3.66Å; I157-P299 HydrophobicContact CD1-CG 3.78Å; I157-P299 HydrophobicContact CG1-CB 4.49Å
158E90.8Very high89.5Confident152 Ų15251.9 Ų51.971%0.7126%0.258SS*.Hα-helixtrans-60.2-43.1177.2-72.9177.317700111.7D154 S155 K160D154-E158 WeakPolarHBondContact O-CG 3.38Å; D154-E158 PolarHBondContact O-N 3.05Å; S155-E158 PolarHBondContact O-N 2.84Å; E158-K160 VanDerWaalsContact C-N 3.25Å; E158-K160 PolarHBondContact O-N 3.04Å
159E89.9Confident88.7Confident142 Ų14246.2 Ų46.266%0.66423%0.234SC*.THydrogen-bonded Turntrans-77.5-8178.4-67177.5-178.500113.7S155 I157 T161S155-E159 WeakPolarHBondContact O-CB 3.28Å; S155-E159 WeakPolarHBondContact O-CG 3.23Å; S155-E159 PolarHBondContact O-N 3.47Å; I157-E159 VanDerWaalsContact C-N 3.33Å; I157-E159 PolarHBondContact O-N 3.27Å; E159-T161 VanDerWaalsContact C-N 3.26Å; E159-T161 PolarHBondContact O-N 3.16Å
160K86.4Confident88Confident155 Ų15547.6 Ų47.667%0.67424%0.24SC*.THydrogen-bonded Turntrans59.433.6-177.4-45.8-172.9178.3170.40113.4I156 I157 E158 I180I156-K160 PolarHBondContact O-N 2.82Å; I157-K160 PolarHBondContact O-N 2.95Å; I157-K160 VanDerWaalsContact O-N 3.16Å; E158-K160 VanDerWaalsContact C-N 3.25Å; E158-K160 PolarHBondContact O-N 3.04Å; K160-I180 HydrophobicContact CD-CD1 4.32Å; K160-I180 HydrophobicContact CG-CD1 3.99Å
161T82.6Confident87.2Confident59 Ų5948.3 Ų48.336%0.36225%0.251SS..  trans-73.7139.9-179.6-59.70000110.8I156 E159 V163 T167I156-T161 PolarHBondContact O-N 3.34Å; E159-T161 VanDerWaalsContact C-N 3.26Å; E159-T161 PolarHBondContact O-N 3.16Å; T161-V163 HydrophobicContact CG2-CG2 3.96Å; T161-V163 PolarHBondContact O-N 3.19Å; T161-T167 WeakPolarHBondContact O-CG2 3.44Å; T161-T167 PolarHBondContact O-OG1 2.79Å
162V82.4Confident86.1Confident93 Ų9350.5 Ų50.556%0.56426%0.258SS*.  trans-82.5110.7-179.4-178.60000110T167 T168 V177V162-T167 WeakPolarHBondContact CA-OG1 3.44Å; V162-T168 HydrophobicContact CG1-CG2 3.49Å; V162-T168 VanDerWaalsContact CG1-CG2 3.49Å; V162-V177 HydrophobicContact CG1-CG2 4.14Å; V162-V177 HydrophobicContact CG2-CG2 4.17Å
163V80.9Confident85.4Confident18 Ų1856.5 Ų56.511%0.10928%0.283CS..  trans-137.8137.8-175.5-177.10000111.3I156 T161 G165 I166 T167 T168 T438I156-V163 HydrophobicContact CD1-CG2 4.25Å; I156-V163 HydrophobicContact CG1-CG2 4.44Å; I156-V163 HydrophobicContact CG2-CB 4.13Å; I156-V163 HydrophobicContact CG2-CG2 3.61Å; T161-V163 HydrophobicContact CG2-CG2 3.96Å; T161-V163 PolarHBondContact O-N 3.19Å; V163-G165 PolarHBondContact O-N 3.5Å; V163-I166 HydrophobicContact CB-CB 4.24Å; V163-I166 HydrophobicContact CB-CD1 4.21Å; V163-I166 HydrophobicContact CB-CG1 4.41Å; V163-I166 HydrophobicContact CG1-CB 4.4Å; V163-I166 HydrophobicContact CG1-CD1 3.64Å; V163-I166 HydrophobicContact CG1-CG1 4.03Å; V163-I166 PolarHBondContact O-N 2.83Å; V163-T167 PolarHBondContact N-OG1 2.96Å; V163-T167 PolarHBondContact O-N 3.06Å; V163-T167 VanDerWaalsContact O-N 3.08Å; V163-T168 PolarHBondContact O-N 3.33Å; V163-T168 PolarHBondContact O-OG1 3.34Å; V163-T438 WeakPolarHBondContact CG1-OG1 3.48Å
164Y80.7Confident84.6Confident60 Ų6058.3 Ų58.324%0.23530%0.298CS..THydrogen-bonded Turntrans-53.9125.7-178.6177.3-108.9000112.5I166 T168 G171 A174 L303 P429Y164-I166 PolarHBondContact O-N 2.97Å; Y164-T168 WeakPolarHBondContact CA-OG1 3.32Å; Y164-G171 PolarHBondContact OH-N 3.4Å; Y164-A174 HydrophobicContact CD2-CB 3.69Å; Y164-A174 HydrophobicContact CE2-CB 3.83Å; Y164-L303 HydrophobicContact CE1-CD2 4.18Å; Y164-P429 HydrophobicContact CD1-CG 4.49Å; Y164-P429 WeakPolarHBondContact O-CG 3.37Å
165G77.6Confident83.9Confident0 Ų067 Ų670%033%0.327CS..THydrogen-bonded Turntrans67.22175.600000115.8V163 T168V163-G165 PolarHBondContact O-N 3.5Å; G165-T168 PolarHBondContact N-OG1 3.4Å
166I83.9Confident83.4Confident0 Ų068 Ų680%033%0.33CS..THydrogen-bonded Turntrans-107.2-57.1174.7-51.1-174.6000110.1I153 I156 I157 V163 Y164 L183 K300 T438I153-I166 HydrophobicContact CD1-CD1 3.66Å; I153-I166 HydrophobicContact CG2-CD1 4.46Å; I153-I166 HydrophobicContact CG2-CG2 4.14Å; I156-I166 HydrophobicContact CD1-CD1 4.28Å; I156-I166 HydrophobicContact CG2-CG2 4.24Å; I157-I166 HydrophobicContact CG1-CG2 4.17Å; V163-I166 HydrophobicContact CB-CB 4.24Å; V163-I166 HydrophobicContact CB-CD1 4.21Å; V163-I166 HydrophobicContact CB-CG1 4.41Å; V163-I166 HydrophobicContact CG1-CB 4.4Å; V163-I166 HydrophobicContact CG1-CD1 3.64Å; V163-I166 HydrophobicContact CG1-CG1 4.03Å; V163-I166 PolarHBondContact O-N 2.83Å; Y164-I166 PolarHBondContact O-N 2.97Å; I166-L183 VanDerWaalsContact O-CD2 3.25Å; I166-L183 WeakPolarHBondContact O-CD2 3.39Å; I166-K300 HydrophobicContact CD1-CD 3.94Å; I166-K300 HydrophobicContact CG1-CB 4.14Å; I166-K300 HydrophobicContact CG1-CD 4.02Å; I166-K300 HydrophobicContact CG1-CG 4.06Å; I166-T438 HydrophobicContact CD1-CG2 4.37Å
167T85.6Confident83.3Confident7 Ų771.5 Ų71.54%0.04335%0.353CS..THydrogen-bonded Turntrans-118.49.3179.753.70000112.5T161 V162 V163 I178 L183T161-T167 WeakPolarHBondContact O-CG2 3.44Å; T161-T167 PolarHBondContact O-OG1 2.79Å; V162-T167 WeakPolarHBondContact CA-OG1 3.44Å; V163-T167 PolarHBondContact N-OG1 2.96Å; V163-T167 PolarHBondContact O-N 3.06Å; V163-T167 VanDerWaalsContact O-N 3.08Å; T167-I178 PolarHBondContact O-N 2.9Å; T167-L183 HydrophobicContact CG2-CD1 4.29Å
168T85.9Confident83.4Confident3 Ų371.9 Ų71.92%0.01836%0.355CS..BIsolated β-bridgetrans-132.6168.5179.756.20000111.6V162 V163 Y164 G165 A174 T176V162-T168 HydrophobicContact CG1-CG2 3.49Å; V162-T168 VanDerWaalsContact CG1-CG2 3.49Å; V163-T168 PolarHBondContact O-N 3.33Å; V163-T168 PolarHBondContact O-OG1 3.34Å; Y164-T168 WeakPolarHBondContact CA-OG1 3.32Å; G165-T168 PolarHBondContact N-OG1 3.4Å; T168-A174 WeakPolarHBondContact CB-O 3.49Å; T168-T176 CarbonylContact C-O 3.54Å; T168-T176 WeakPolarHBondContact CA-O 3.3Å; T168-T176 WeakPolarHBondContact CB-O 3.34Å
169G81.7Confident83.4Confident5 Ų568.4 Ų68.45%0.05235%0.345CS..  trans-69.3-175.3171.600000114.3F173 T176G169-F173 WeakPolarHBondContact CA-O 3.49Å; G169-F173 PolarHBondContact N-O 3.46Å; G169-T176 PolarHBondContact N-O 3.43Å
170F83.3Confident83.3Confident30 Ų3065.6 Ų65.613%0.13233%0.334CS..SBendtrans-112153.1-174.7-51.3-79.9000112.4K172 F173 L186 L190 L303F170-K172 PolarHBondContact O-N 2.99Å; F170-F173 PolarHBondContact O-N 3.43Å; F170-L186 HydrophobicContact CD2-CD1 4.27Å; F170-L186 HydrophobicContact CE2-CD1 3.55Å; F170-L186 HydrophobicContact CE2-CD2 4.2Å; F170-L186 HydrophobicContact CE2-CG 3.65Å; F170-L186 HydrophobicContact CZ-CD1 4.3Å; F170-L186 HydrophobicContact CZ-CD2 4.13Å; F170-L186 HydrophobicContact CZ-CG 3.92Å; F170-L190 HydrophobicContact CB-CD1 4.4Å; F170-L190 HydrophobicContact CD1-CD1 4.22Å; F170-L190 HydrophobicContact CD1-CD2 4.23Å; F170-L190 HydrophobicContact CD2-CB 4.36Å; F170-L190 HydrophobicContact CD2-CD1 3.58Å; F170-L190 HydrophobicContact CD2-CD2 4.44Å; F170-L190 HydrophobicContact CD2-CG 4.33Å; F170-L190 HydrophobicContact CE1-CD1 4.43Å; F170-L190 HydrophobicContact CE1-CD2 3.74Å; F170-L190 HydrophobicContact CE2-CB 3.76Å; F170-L190 HydrophobicContact CE2-CD1 3.8Å; F170-L190 HydrophobicContact CE2-CD2 3.94Å; F170-L190 HydrophobicContact CE2-CG 4.04Å; F170-L190 HydrophobicContact CG-CD1 3.8Å; F170-L190 HydrophobicContact CZ-CB 4.15Å; F170-L190 HydrophobicContact CZ-CD1 4.24Å; F170-L190 HydrophobicContact CZ-CD2 3.58Å; F170-L190 HydrophobicContact CZ-CG 4.2Å; F170-L303 HydrophobicContact CD1-CD1 4.2Å; F170-L303 HydrophobicContact CD1-CD2 4.14Å; F170-L303 HydrophobicContact CE1-CB 4.04Å; F170-L303 HydrophobicContact CE1-CD1 4.26Å; F170-L303 HydrophobicContact CE1-CD2 3.91Å; F170-L303 HydrophobicContact CE1-CG 4.3Å
171G80.4Confident83.5Confident24 Ų2464.8 Ų64.825%0.24734%0.337CS..G310 helixtrans52.9-122.9178.400000112.5Y164 F173 A174Y164-G171 PolarHBondContact OH-N 3.4Å; G171-F173 PolarHBondContact O-N 3.12Å; G171-F173 VanDerWaalsContact O-N 3.09Å; G171-A174 VanDerWaalsContact O-CB 3.23Å; G171-A174 WeakPolarHBondContact O-CB 3.31Å; G171-A174 PolarHBondContact O-N 3.04Å
172K76.1Confident84Confident143 Ų14366.1 Ų66.162%0.62234%0.337SS*.G310 helixtrans-58.8-22.8178.2-170.4167.5-175.8171.50114F170 A174 A526F170-K172 PolarHBondContact O-N 2.99Å; K172-A174 VanDerWaalsContact C-N 3.34Å; K172-A526 HydrophobicContact CD-CB 4.06Å
173F80.8Confident84.4Confident142 Ų14261.7 Ų61.762%0.62331%0.311SS*.G310 helixtrans-91.412.9178.1-56.5-67.8000113.7G169 F170 G171 R175 T176G169-F173 WeakPolarHBondContact CA-O 3.49Å; G169-F173 PolarHBondContact N-O 3.46Å; F170-F173 PolarHBondContact O-N 3.43Å; G171-F173 PolarHBondContact O-N 3.12Å; G171-F173 VanDerWaalsContact O-N 3.09Å; F173-R175 PolarHBondContact O-N 3.37Å; F173-T176 WeakPolarHBondContact O-CB 3.48Å; F173-T176 PolarHBondContact O-N 2.94Å
174A78.5Confident85Confident38 Ų3865.8 Ų65.831%0.31433%0.329SS..THydrogen-bonded Turntrans-56.6-19.6178.800000114.7Y164 T168 G171 K172Y164-A174 HydrophobicContact CD2-CB 3.69Å; Y164-A174 HydrophobicContact CE2-CB 3.83Å; T168-A174 WeakPolarHBondContact CB-O 3.49Å; G171-A174 VanDerWaalsContact O-CB 3.23Å; G171-A174 WeakPolarHBondContact O-CB 3.31Å; G171-A174 PolarHBondContact O-N 3.04Å; K172-A174 VanDerWaalsContact C-N 3.34Å
175R80.4Confident85.7Confident243 Ų24367.1 Ų67.192%0.91734%0.337SS*.THydrogen-bonded Turntrans-91.3-4177.8-61.5-175.6-176.7-174.71.1114F173F173-R175 PolarHBondContact O-N 3.37Å
176T84.4Confident86.5Confident72 Ų7268.4 Ų68.444%0.44234%0.344SS..  trans-89.5113179.7-57.10000109.5T168 G169 F173 I178T168-T176 CarbonylContact C-O 3.54Å; T168-T176 WeakPolarHBondContact CA-O 3.3Å; T168-T176 WeakPolarHBondContact CB-O 3.34Å; G169-T176 PolarHBondContact N-O 3.43Å; F173-T176 WeakPolarHBondContact O-CB 3.48Å; F173-T176 PolarHBondContact O-N 2.94Å; T176-I178 HydrophobicContact CG2-CD1 4.16Å
177V88.6Confident87.1Confident90 Ų9068.4 Ų68.455%0.54534%0.344SS..BIsolated β-bridgetrans-75.1133.4175.9-178.10000110.1V162V162-V177 HydrophobicContact CG1-CG2 4.14Å; V162-V177 HydrophobicContact CG2-CG2 4.17Å
178I90.9Very high87.7Confident34 Ų3469.4 Ų69.417%0.17435%0.35CS..  trans-106.6132.1-177.4-54.3-60.7000109.8T167 T176 K182 L183 L186T167-I178 PolarHBondContact O-N 2.9Å; T176-I178 HydrophobicContact CG2-CD1 4.16Å; I178-K182 HydrophobicContact CG2-CB 3.8Å; I178-L183 HydrophobicContact CB-CD2 3.91Å; I178-L183 HydrophobicContact CG2-CD2 3.83Å; I178-L186 HydrophobicContact CB-CD2 4.35Å; I178-L186 HydrophobicContact CG1-CD1 4.3Å; I178-L186 HydrophobicContact CG1-CD2 4.01Å; I178-L186 HydrophobicContact CG2-CD2 4.3Å
179P89.9Confident88.2Confident78 Ų7872.6 Ų72.651%0.50637%0.367SS..  trans-57.4143.4173.9-2736.4000112.9N181 K182 L183P179-N181 VanDerWaalsContact C-N 3.27Å; P179-N181 WeakPolarHBondContact CB-OD1 3.46Å; P179-N181 PolarHBondContact O-N 3.29Å; P179-K182 HydrophobicContact CB-CB 4.47Å; P179-K182 HydrophobicContact CB-CG 4.36Å; P179-K182 WeakPolarHBondContact O-CA 3.35Å; P179-K182 WeakPolarHBondContact O-CB 3.45Å; P179-K182 PolarHBondContact O-N 3.41Å; P179-L183 PolarHBondContact O-N 2.81Å
180I87.7Confident88.9Confident84 Ų8472.6 Ų72.643%0.43137%0.365SS..G310 helixtrans-56.7-40.3-176.5-64.4174.1000112.2I157 K160 K182 L183I157-I180 HydrophobicContact CG2-CG2 4.17Å; K160-I180 HydrophobicContact CD-CD1 4.32Å; K160-I180 HydrophobicContact CG-CD1 3.99Å; I180-K182 PolarHBondContact O-N 2.96Å; I180-K182 VanDerWaalsContact O-N 3.12Å; I180-L183 HydrophobicContact CG2-CD1 4.46Å; I180-L183 WeakPolarHBondContact O-CG 3.3Å; I180-L183 PolarHBondContact O-N 3.07Å
181N91Very high89.6Confident138 Ų13871.1 Ų71.174%0.73836%0.359SS*.G310 helixtrans-68.1-8.117868.1-29.6000114.1P179P179-N181 VanDerWaalsContact C-N 3.27Å; P179-N181 WeakPolarHBondContact CB-OD1 3.46Å; P179-N181 PolarHBondContact O-N 3.29Å
182K93.9Very high90.5Very high86 Ų8676 Ų7637%0.37437%0.37SS..G310 helixtrans-106.1-3.9177.7-70.8-71.3-173.5172.50113.1I178 P179 I180 Q184 E185 L186I178-K182 HydrophobicContact CG2-CB 3.8Å; P179-K182 HydrophobicContact CB-CB 4.47Å; P179-K182 HydrophobicContact CB-CG 4.36Å; P179-K182 WeakPolarHBondContact O-CA 3.35Å; P179-K182 WeakPolarHBondContact O-CB 3.45Å; P179-K182 PolarHBondContact O-N 3.41Å; I180-K182 PolarHBondContact O-N 2.96Å; I180-K182 VanDerWaalsContact O-N 3.12Å; K182-Q184 VanDerWaalsContact C-N 3.33Å; K182-Q184 PolarHBondContact O-N 2.87Å; K182-E185 WeakPolarHBondContact CD-OE2 3.48Å; K182-E185 WeakPolarHBondContact CE-OE2 3.21Å; K182-E185 IonicContact NZ-OE1 3.34Å; K182-E185 PolarHBondContact NZ-OE1 3.36Å; K182-E185 IonicContact NZ-OE2 2.65Å; K182-E185 PolarHBondContact NZ-OE2 3.45Å; K182-E185 PolarHBondContact O-N 3.42Å; K182-L186 WeakPolarHBondContact O-CB 3.4Å; K182-L186 PolarHBondContact O-N 3.3Å
183L91.2Very high91.5Very high1 Ų172.9 Ų72.91%0.00537%0.367CS..Hα-helixtrans-66.1-32.6-173.6-62.6-177.5000113.7I157 I166 T167 I178 P179 I180 L186 Q187 P299I157-L183 HydrophobicContact CG2-CD1 4.47Å; I166-L183 VanDerWaalsContact O-CD2 3.25Å; I166-L183 WeakPolarHBondContact O-CD2 3.39Å; T167-L183 HydrophobicContact CG2-CD1 4.29Å; I178-L183 HydrophobicContact CB-CD2 3.91Å; I178-L183 HydrophobicContact CG2-CD2 3.83Å; P179-L183 PolarHBondContact O-N 2.81Å; I180-L183 HydrophobicContact CG2-CD1 4.46Å; I180-L183 WeakPolarHBondContact O-CG 3.3Å; I180-L183 PolarHBondContact O-N 3.07Å; L183-L186 HydrophobicContact CD2-CD2 4.3Å; L183-L186 WeakPolarHBondContact O-CB 3.35Å; L183-Q187 WeakPolarHBondContact O-CG 3.47Å; L183-Q187 PolarHBondContact O-N 2.65Å; L183-P299 HydrophobicContact CB-CB 4.15Å; L183-P299 HydrophobicContact CB-CG 3.75Å; L183-P299 HydrophobicContact CD1-CB 4.21Å; L183-P299 HydrophobicContact CD1-CG 4.03Å
184Q92.9Very high92.3Very high104 Ų10468.9 Ų68.949%0.48635%0.349SS..Hα-helixtrans-69.1-47.4173.4174.3171.70.900111.4K182 L186 Q187 V188 L297K182-Q184 VanDerWaalsContact C-N 3.33Å; K182-Q184 PolarHBondContact O-N 2.87Å; Q184-L186 PolarHBondContact O-N 3.07Å; Q184-Q187 PolarHBondContact O-N 2.71Å; Q184-Q187 VanDerWaalsContact O-N 3.09Å; Q184-V188 PolarHBondContact O-N 2.79Å; Q184-L297 WeakPolarHBondContact CG-O 3.4Å
185E95.5Very high93.2Very high88 Ų8868 Ų6841%0.41134%0.341SS..Hα-helixtrans-58.6-38.4175.7-172.8-176.1144.700111.2K182 Q187 V188 N189K182-E185 WeakPolarHBondContact CD-OE2 3.48Å; K182-E185 WeakPolarHBondContact CE-OE2 3.21Å; K182-E185 IonicContact NZ-OE1 3.34Å; K182-E185 PolarHBondContact NZ-OE1 3.36Å; K182-E185 IonicContact NZ-OE2 2.65Å; K182-E185 PolarHBondContact NZ-OE2 3.45Å; K182-E185 PolarHBondContact O-N 3.42Å; E185-Q187 VanDerWaalsContact C-N 3.34Å; E185-Q187 PolarHBondContact O-N 2.94Å; E185-V188 PolarHBondContact O-N 3.25Å; E185-N189 WeakPolarHBondContact O-CB 3.26Å; E185-N189 VanDerWaalsContact O-CG 3.23Å; E185-N189 PolarHBondContact O-N 3.42Å; E185-N189 PolarHBondContact O-ND2 3.4Å
186L93.8Very high94Very high27 Ų2760.6 Ų60.614%0.14133%0.326CS..Hα-helixtrans-56.4-44.7174178.170.8000112.1F170 I178 K182 L183 Q184 L190F170-L186 HydrophobicContact CD2-CD1 4.27Å; F170-L186 HydrophobicContact CE2-CD1 3.55Å; F170-L186 HydrophobicContact CE2-CD2 4.2Å; F170-L186 HydrophobicContact CE2-CG 3.65Å; F170-L186 HydrophobicContact CZ-CD1 4.3Å; F170-L186 HydrophobicContact CZ-CD2 4.13Å; F170-L186 HydrophobicContact CZ-CG 3.92Å; I178-L186 HydrophobicContact CB-CD2 4.35Å; I178-L186 HydrophobicContact CG1-CD1 4.3Å; I178-L186 HydrophobicContact CG1-CD2 4.01Å; I178-L186 HydrophobicContact CG2-CD2 4.3Å; K182-L186 WeakPolarHBondContact O-CB 3.4Å; K182-L186 PolarHBondContact O-N 3.3Å; L183-L186 HydrophobicContact CD2-CD2 4.3Å; L183-L186 WeakPolarHBondContact O-CB 3.35Å; Q184-L186 PolarHBondContact O-N 3.07Å; L186-L190 WeakPolarHBondContact O-CB 3.25Å; L186-L190 PolarHBondContact O-N 3.34Å
187Q96.1Very high94.6Very high0 Ų057.7 Ų57.70%031%0.311CS..Hα-helixtrans-67.5-42.2179.2-56.3-47.8-69.800112L183 Q184 E185 L190 V191 L297 K298 K300 G302L183-Q187 WeakPolarHBondContact O-CG 3.47Å; L183-Q187 PolarHBondContact O-N 2.65Å; Q184-Q187 PolarHBondContact O-N 2.71Å; Q184-Q187 VanDerWaalsContact O-N 3.09Å; E185-Q187 VanDerWaalsContact C-N 3.34Å; E185-Q187 PolarHBondContact O-N 2.94Å; Q187-L190 WeakPolarHBondContact O-CB 3.47Å; Q187-L190 PolarHBondContact O-N 2.66Å; Q187-V191 PolarHBondContact O-N 3.35Å; Q187-V191 VanDerWaalsContact O-N 3.11Å; Q187-L297 HydrophobicContact CB-CB 3.9Å; Q187-L297 HydrophobicContact CB-CD1 3.93Å; Q187-L297 HydrophobicContact CG-CB 4.46Å; Q187-K298 WeakPolarHBondContact CG-O 3.43Å; Q187-K300 VanDerWaalsContact OE1-C 3.26Å; Q187-G302 VanDerWaalsContact OE1-N 3.11Å
188V97.9Very high95Very high28 Ų2857.8 Ų57.817%0.1731%0.311CS..Hα-helixtrans-65.4-43.7178.4176.30000110.8Q184 E185 L190 V191 R192 I268 L297Q184-V188 PolarHBondContact O-N 2.79Å; E185-V188 PolarHBondContact O-N 3.25Å; V188-L190 VanDerWaalsContact C-N 3.3Å; V188-L190 PolarHBondContact O-N 2.79Å; V188-V191 PolarHBondContact O-N 3.14Å; V188-R192 HydrophobicContact CG1-CG 4.47Å; V188-R192 WeakPolarHBondContact O-CG 3.37Å; V188-R192 PolarHBondContact O-N 3.32Å; V188-I268 HydrophobicContact CG1-CD1 4.34Å; V188-L297 HydrophobicContact CG2-CD1 4.45Å
189N97.7Very high95.2Very high70 Ų7057.9 Ų57.937%0.37432%0.321SS..Hα-helixtrans-63.8-36.6177-72.6-12.8000111.9E185 S193E185-N189 WeakPolarHBondContact O-CB 3.26Å; E185-N189 VanDerWaalsContact O-CG 3.23Å; E185-N189 PolarHBondContact O-N 3.42Å; E185-N189 PolarHBondContact O-ND2 3.4Å; N189-S193 VanDerWaalsContact O-CB 3.26Å; N189-S193 WeakPolarHBondContact O-CB 3.33Å; N189-S193 PolarHBondContact O-N 3.06Å; N189-S193 PolarHBondContact O-OG 3.1Å
190L96Very high95.3Very high4 Ų459.1 Ų59.12%0.02132%0.319CS..Hα-helixtrans-58.4-56.4172.9177.371.1000110.6F170 L186 Q187 V188 R192 S193 H194 L303 I306F170-L190 HydrophobicContact CB-CD1 4.4Å; F170-L190 HydrophobicContact CD1-CD1 4.22Å; F170-L190 HydrophobicContact CD1-CD2 4.23Å; F170-L190 HydrophobicContact CD2-CB 4.36Å; F170-L190 HydrophobicContact CD2-CD1 3.58Å; F170-L190 HydrophobicContact CD2-CD2 4.44Å; F170-L190 HydrophobicContact CD2-CG 4.33Å; F170-L190 HydrophobicContact CE1-CD1 4.43Å; F170-L190 HydrophobicContact CE1-CD2 3.74Å; F170-L190 HydrophobicContact CE2-CB 3.76Å; F170-L190 HydrophobicContact CE2-CD1 3.8Å; F170-L190 HydrophobicContact CE2-CD2 3.94Å; F170-L190 HydrophobicContact CE2-CG 4.04Å; F170-L190 HydrophobicContact CG-CD1 3.8Å; F170-L190 HydrophobicContact CZ-CB 4.15Å; F170-L190 HydrophobicContact CZ-CD1 4.24Å; F170-L190 HydrophobicContact CZ-CD2 3.58Å; F170-L190 HydrophobicContact CZ-CG 4.2Å; L186-L190 WeakPolarHBondContact O-CB 3.25Å; L186-L190 PolarHBondContact O-N 3.34Å; Q187-L190 WeakPolarHBondContact O-CB 3.47Å; Q187-L190 PolarHBondContact O-N 2.66Å; V188-L190 VanDerWaalsContact C-N 3.3Å; V188-L190 PolarHBondContact O-N 2.79Å; L190-R192 PolarHBondContact O-N 3.35Å; L190-S193 PolarHBondContact O-N 3.2Å; L190-S193 PolarHBondContact O-OG 2.93Å; L190-S193 VanDerWaalsContact O-OG 3.05Å; L190-H194 WeakPolarHBondContact CD1-CE1 3.39Å; L190-H194 WeakPolarHBondContact O-CB 3.21Å; L190-H194 PolarHBondContact O-N 3.04Å; L190-H194 PolarHBondContact O-ND1 3.45Å; L190-H194 VanDerWaalsContact O-ND1 3.15Å; L190-L303 HydrophobicContact CD2-CB 4.01Å; L190-L303 HydrophobicContact CD2-CD1 4.2Å; L190-I306 HydrophobicContact CD1-CD1 4.09Å; L190-I306 HydrophobicContact CD2-CD1 3.54Å; L190-I306 HydrophobicContact CD2-CG1 4.4Å; L190-I306 HydrophobicContact CG-CD1 3.6Å
191V98.3Very high95.6Very high0 Ų057.1 Ų57.10%031%0.311CS..Hα-helixtrans-55.7-49-179.8171.40000111.2Q187 V188 H194 S195 A264 L265 I268 L297 I306Q187-V191 PolarHBondContact O-N 3.35Å; Q187-V191 VanDerWaalsContact O-N 3.11Å; V188-V191 PolarHBondContact O-N 3.14Å; V191-H194 PolarHBondContact O-N 3.34Å; V191-S195 PolarHBondContact O-N 3.38Å; V191-S195 VanDerWaalsContact O-N 3.13Å; V191-S195 PolarHBondContact O-OG 3.14Å; V191-A264 HydrophobicContact CG1-CB 3.91Å; V191-A264 HydrophobicContact CG2-CB 3.96Å; V191-L265 HydrophobicContact CG1-CB 4.03Å; V191-L265 HydrophobicContact CG1-CD1 4.09Å; V191-I268 HydrophobicContact CB-CD1 4.5Å; V191-I268 HydrophobicContact CG1-CD1 4.05Å; V191-L297 HydrophobicContact CG2-CD1 3.99Å; V191-I306 HydrophobicContact CG2-CG2 4.35Å
192R98.4Very high95.8Very high125 Ų12550.8 Ų50.847%0.47228%0.277SS..Hα-helixtrans-61.6-48.8-179.8-72.3174.1178.1159.6-1.8112.9V188 L190 H194 S195 L265 E270V188-R192 HydrophobicContact CG1-CG 4.47Å; V188-R192 WeakPolarHBondContact O-CG 3.37Å; V188-R192 PolarHBondContact O-N 3.32Å; L190-R192 PolarHBondContact O-N 3.35Å; R192-H194 VanDerWaalsContact C-N 3.3Å; R192-H194 PolarHBondContact O-N 2.71Å; R192-S195 PolarHBondContact O-N 3.19Å; R192-L265 HydrophobicContact CG-CD1 4.09Å; R192-E270 WeakPolarHBondContact CG-OE2 3.03Å; R192-E270 IonicContact CZ-OE1 2.61Å; R192-E270 VanDerWaalsContact CZ-OE1 3.23Å; R192-E270 IonicContact CZ-OE2 3.44Å; R192-E270 IonicContact NE-OE1 3.82Å; R192-E270 PolarHBondContact NE-OE1 2.94Å; R192-E270 IonicContact NE-OE2 2.73Å; R192-E270 PolarHBondContact NE-OE2 2.65Å; R192-E270 IonicContact NH2-OE1 2.88Å; R192-E270 PolarHBondContact NH2-OE1 3.04Å; R192-E270 IonicContact NH2-OE2 2.81Å
193S97.4Very high95.9Very high79 Ų7949.1 Ų49.155%0.55227%0.272SS*.Hα-helixtrans-68.5-29.4-176.659.80000113.1N189 L190N189-S193 VanDerWaalsContact O-CB 3.26Å; N189-S193 WeakPolarHBondContact O-CB 3.33Å; N189-S193 PolarHBondContact O-N 3.06Å; N189-S193 PolarHBondContact O-OG 3.1Å; L190-S193 PolarHBondContact O-N 3.2Å; L190-S193 PolarHBondContact O-OG 2.93Å; L190-S193 VanDerWaalsContact O-OG 3.05Å
194H97.1Very high96Very high57 Ų5749.6 Ų49.626%0.26428%0.275SS..Hα-helixtrans-89.2-12.6-178.5-71.547.7000113L190 V191 R192 S196 A258 S261L190-H194 WeakPolarHBondContact CD1-CE1 3.39Å; L190-H194 WeakPolarHBondContact O-CB 3.21Å; L190-H194 PolarHBondContact O-N 3.04Å; L190-H194 PolarHBondContact O-ND1 3.45Å; L190-H194 VanDerWaalsContact O-ND1 3.15Å; V191-H194 PolarHBondContact O-N 3.34Å; R192-H194 VanDerWaalsContact C-N 3.3Å; R192-H194 PolarHBondContact O-N 2.71Å; H194-S196 PolarHBondContact O-N 3.11Å; H194-S196 PolarHBondContact O-OG 2.72Å; H194-A258 WeakPolarHBondContact O-CA 3.47Å; H194-S261 WeakPolarHBondContact CB-OG 3.22Å
195S98.3Very high96.2Very high21 Ų2147.7 Ų47.715%0.14727%0.266CS..  trans-71.861.1171.9-68.60000112.6V191 R192 S261 H262V191-S195 PolarHBondContact O-N 3.38Å; V191-S195 VanDerWaalsContact O-N 3.13Å; V191-S195 PolarHBondContact O-OG 3.14Å; R192-S195 PolarHBondContact O-N 3.19Å; S195-S261 WeakPolarHBondContact OG-CB 3.09Å; S195-S261 PolarHBondContact OG-O 3.21Å; S195-S261 VanDerWaalsContact OG-O 3.1Å; S195-H262 PolarHBondContact O-CE1 3.12Å; S195-H262 PolarHBondContact O-NE2 3.42Å; S195-H262 VanDerWaalsContact O-NE2 3.09Å; S195-H262 PolarHBondContact OG-N 2.97Å
196S97.3Very high96.3Very high86 Ų8646 Ų4660%0.60126%0.256SS*.  trans-112.815.2-17658.90000113.6H194H194-S196 PolarHBondContact O-N 3.11Å; H194-S196 PolarHBondContact O-OG 2.72Å
197G97.3Very high96.5Very high11 Ų1144.7 Ų44.711%0.11325%0.249CC..  trans-64.1154.3174.200000113.5P246 K248 H262G197-P246 WeakPolarHBondContact O-CG 3.34Å; G197-K248 CarbonylContact C-O 3.49Å; G197-K248 WeakPolarHBondContact CA-O 3.46Å; G197-H262 PolarHBondContact N-NE2 3.28Å; G197-H262 VanDerWaalsContact N-NE2 3.17Å
198V97Very high96.6Very high92 Ų9245 Ų4556%0.55825%0.25SS*.EExtended strand (participates in β ladder)trans-136.2172.7-178.5-60.20000112P246 K248V198-P246 VanDerWaalsContact O-CB 3.26Å; V198-P246 WeakPolarHBondContact O-CB 3.27Å; V198-K248 HydrophobicContact CG2-CB 3.98Å; V198-K248 PolarHBondContact N-O 2.98Å; V198-K248 VanDerWaalsContact O-CB 3.3Å; V198-K248 WeakPolarHBondContact O-CB 3.27Å; V198-K248 PolarHBondContact O-N 3.3Å
199G94.1Very high96.6Very high37 Ų3744 Ų4438%0.38124%0.244SC..EExtended strand (participates in β ladder)trans91.3-171.1-178.900000113
200K92.3Very high96.7Very high104 Ų10440.7 Ų40.745%0.45223%0.226SC..EExtended strand (participates in β ladder)trans-62.1148179.5-67.2-179.2177.6178.20110.3E99 E247E99-K200 IonicContact OE1-NZ 3.86Å; E99-K200 PolarHBondContact OE1-NZ 3.36Å; E99-K200 IonicContact OE2-NZ 2.88Å; E99-K200 PolarHBondContact OE2-NZ 2.76Å; K200-E247 WeakPolarHBondContact O-CG 3.31Å; K200-E247 PolarHBondContact O-N 2.63Å
201P94.4Very high96.8Very high42 Ų4240.5 Ų40.527%0.27323%0.225SC..EExtended strand (participates in β ladder)trans-65.4151.6169.227.1-32.5000110.7I203 Y244 V245 W280P201-I203 PolarHBondContact O-N 3.18Å; P201-Y244 HydrophobicContact CB-CD2 3.74Å; P201-Y244 HydrophobicContact CB-CE2 3.45Å; P201-Y244 VanDerWaalsContact CB-CE2 3.45Å; P201-Y244 HydrophobicContact CB-CG 4.47Å; P201-Y244 HydrophobicContact CG-CD2 4.27Å; P201-Y244 HydrophobicContact CG-CE2 3.66Å; P201-V245 CarbonylContact C-O 3.52Å; P201-V245 VanDerWaalsContact CA-O 3.3Å; P201-V245 WeakPolarHBondContact CA-O 3.47Å; P201-W280 HydrophobicContact CB-CH2 4.24Å; P201-W280 HydrophobicContact CB-CZ2 4.12Å; P201-W280 HydrophobicContact CG-CZ2 4.34Å
202L96.1Very high96.9Very high5 Ų540.5 Ų40.53%0.02623%0.225CC..PPolyproline II helixtrans-56136.4160.5-62.5-177.7000109.6R206 C207 L210 V245 E247 M311L202-R206 HydrophobicContact CB-CB 4.1Å; L202-R206 HydrophobicContact CD1-CB 4.45Å; L202-R206 HydrophobicContact CD2-CB 4.37Å; L202-C207 HydrophobicContact CB-CB 4.32Å; L202-L210 HydrophobicContact CD1-CD2 4.06Å; L202-V245 HydrophobicContact CD1-CB 4.02Å; L202-V245 HydrophobicContact CD1-CG1 3.77Å; L202-V245 HydrophobicContact CG-CB 4.24Å; L202-V245 HydrophobicContact CG-CG1 4.19Å; L202-V245 PolarHBondContact N-O 3.13Å; L202-E247 HydrophobicContact CD2-CB 4.1Å; L202-M311 HydrophobicContact CD1-CE 4.02Å; L202-M311 HydrophobicContact CD1-SD 3.71Å; L202-M311 HydrophobicContact CD2-CE 3.54Å; L202-M311 HydrophobicContact CD2-SD 4.33Å; L202-M311 HydrophobicContact CG-CE 4.25Å
203I94.7Very high96.9Very high50 Ų5034.7 Ų34.726%0.25620%0.204SC..PPolyproline II helixtrans-58.8151167.164.6175.8000109.4P201 E205 R206 C207P201-I203 PolarHBondContact O-N 3.18Å; I203-E205 HydrophobicContact CD1-CB 4.36Å; I203-E205 HydrophobicContact CG1-CB 4.4Å; I203-E205 PolarHBondContact O-N 3.38Å; I203-E205 VanDerWaalsContact O-N 3.09Å; I203-R206 HydrophobicContact CD1-CG 4.29Å; I203-R206 HydrophobicContact CG1-CB 4.08Å; I203-R206 HydrophobicContact CG1-CG 3.85Å; I203-R206 PolarHBondContact O-N 2.56Å; I203-C207 PolarHBondContact O-N 2.84Å
204P94.5Very high96.9Very high12 Ų1231 Ų318%0.07818%0.178CC..Hα-helixtrans-47.1-42.4-178.1-32.438.4000113.7R206 C207 R208 L242 W274P204-R206 PolarHBondContact O-N 2.99Å; P204-C207 PolarHBondContact O-N 3.27Å; P204-R208 VanDerWaalsContact O-CB 3.23Å; P204-R208 WeakPolarHBondContact O-CB 3.46Å; P204-R208 PolarHBondContact O-N 3.48Å; P204-L242 HydrophobicContact CB-CD1 3.85Å; P204-L242 VanDerWaalsContact O-CD1 3.31Å; P204-L242 WeakPolarHBondContact O-CD1 3.44Å; P204-W274 HydrophobicContact CB-CD2 4.12Å; P204-W274 HydrophobicContact CB-CE3 3.91Å; P204-W274 HydrophobicContact CB-CH2 4.22Å; P204-W274 HydrophobicContact CB-CZ2 4.44Å; P204-W274 HydrophobicContact CB-CZ3 3.96Å; P204-W274 HydrophobicContact CG-CD2 3.76Å; P204-W274 HydrophobicContact CG-CE3 4.09Å; P204-W274 HydrophobicContact CG-CG 4.12Å; P204-W274 HydrophobicContact CG-CH2 4.42Å; P204-W274 HydrophobicContact CG-CZ2 4.14Å; P204-W274 HydrophobicContact CG-CZ3 4.4Å
205E95.6Very high97Very high64 Ų6428.3 Ų28.330%0.29917%0.165SC..Hα-helixtrans-58.8-46-179.8-63.178.6-176.900111.8G130 I203 R208 M209G130-E205 WeakPolarHBondContact CA-O 3.48Å; G130-E205 WeakPolarHBondContact O-CA 3.16Å; I203-E205 HydrophobicContact CD1-CB 4.36Å; I203-E205 HydrophobicContact CG1-CB 4.4Å; I203-E205 PolarHBondContact O-N 3.38Å; I203-E205 VanDerWaalsContact O-N 3.09Å; E205-R208 WeakPolarHBondContact O-CB 3.28Å; E205-R208 PolarHBondContact O-N 3.46Å; E205-M209 VanDerWaalsContact O-CG 3.31Å; E205-M209 WeakPolarHBondContact O-CG 3.39Å; E205-M209 PolarHBondContact O-N 3.04Å
206R98Very high97Very high51 Ų5127.3 Ų27.319%0.19216%0.158CC..Hα-helixtrans-71-39.9179-72.8177.6177.6160.25.3112.2L202 I203 P204 R208 M209 L210 L315 E318L202-R206 HydrophobicContact CB-CB 4.1Å; L202-R206 HydrophobicContact CD1-CB 4.45Å; L202-R206 HydrophobicContact CD2-CB 4.37Å; I203-R206 HydrophobicContact CD1-CG 4.29Å; I203-R206 HydrophobicContact CG1-CB 4.08Å; I203-R206 HydrophobicContact CG1-CG 3.85Å; I203-R206 PolarHBondContact O-N 2.56Å; P204-R206 PolarHBondContact O-N 2.99Å; R206-R208 VanDerWaalsContact C-N 3.25Å; R206-R208 PolarHBondContact O-N 2.93Å; R206-M209 PolarHBondContact O-N 3.03Å; R206-L210 WeakPolarHBondContact O-CB 3.49Å; R206-L210 PolarHBondContact O-N 3.45Å; R206-L315 HydrophobicContact CB-CD2 4.43Å; R206-L315 HydrophobicContact CG-CD2 4.03Å; R206-E318 WeakPolarHBondContact CG-OE2 3.37Å; R206-E318 IonicContact CZ-OE1 2.68Å; R206-E318 IonicContact CZ-OE2 3.3Å; R206-E318 IonicContact NE-OE1 3.6Å; R206-E318 IonicContact NE-OE2 3.38Å; R206-E318 PolarHBondContact NE-OE2 3.4Å; R206-E318 IonicContact NH2-OE1 3.89Å; R206-E318 PolarHBondContact NH2-OE1 3.23Å; R206-E318 IonicContact NH2-OE2 3.97Å; R206-E318 PolarHBondContact NH2-OE2 2.95Å
207C98.4Very high97Very high1 Ų123.3 Ų23.31%0.00713%0.13CC..Hα-helixtrans-62.6-37.6174-1750000111.3L202 I203 P204 L210 L211 L242 P243L202-C207 HydrophobicContact CB-CB 4.32Å; I203-C207 PolarHBondContact O-N 2.84Å; P204-C207 PolarHBondContact O-N 3.27Å; C207-L210 PolarHBondContact O-N 2.95Å; C207-L211 WeakPolarHBondContact O-CB 3.45Å; C207-L211 PolarHBondContact O-N 3.24Å; C207-L242 HydrophobicContact CB-CB 4.4Å; C207-P243 PolarHBondContact SG-O 3.21Å
208R98.1Very high97.1Very high6 Ų622.9 Ų22.92%0.02313%0.125CC..Hα-helixtrans-66-42.8176.3-170172.3-17883.14.2111.2L129 Y134 P204 E205 R206 L211 A212 F237 S240 L242L129-R208 WeakPolarHBondContact O-CD 3.42Å; L129-R208 WeakPolarHBondContact O-CG 2.78Å; L129-R208 PolarHBondContact O-NE 3.05Å; Y134-R208 PolarHBondContact O-NH2 3.48Å; P204-R208 VanDerWaalsContact O-CB 3.23Å; P204-R208 WeakPolarHBondContact O-CB 3.46Å; P204-R208 PolarHBondContact O-N 3.48Å; E205-R208 WeakPolarHBondContact O-CB 3.28Å; E205-R208 PolarHBondContact O-N 3.46Å; R206-R208 VanDerWaalsContact C-N 3.25Å; R206-R208 PolarHBondContact O-N 2.93Å; R208-L211 PolarHBondContact O-N 3Å; R208-A212 WeakPolarHBondContact O-CB 3.35Å; R208-A212 PolarHBondContact O-N 3.4Å; R208-F237 HydrophobicContact CB-CE2 4.49Å; R208-F237 HydrophobicContact CG-CD2 4.13Å; R208-F237 HydrophobicContact CG-CE2 3.35Å; R208-F237 HydrophobicContact CG-CZ 3.83Å; R208-F237 PolarHBondContact NH1-O 3.39Å; R208-F237 VanDerWaalsContact NH2-CE1 3.25Å; R208-F237 PolarHBondContact NH2-O 2.93Å; R208-F237 WeakPolarHBondContact O-CE2 3.45Å; R208-S240 PolarHBondContact NH1-OG 3.44Å; R208-L242 HydrophobicContact CB-CD1 3.99Å; R208-L242 HydrophobicContact CB-CD2 3.86Å; R208-L242 HydrophobicContact CG-CD2 4.18Å
209M98.8Very high97.2Very high7 Ų718.5 Ų18.53%0.03410%0.099CC..Hα-helixtrans-58.9-47.4171.1-66.8172.366.400111.9L126 V127 E205 R206 L211 A212 L213 S314 C317 E318L126-M209 HydrophobicContact CD1-CB 4.32Å; L126-M209 WeakPolarHBondContact CD1-O 3.38Å; L126-M209 HydrophobicContact CD2-CB 4.42Å; L126-M209 HydrophobicContact CD2-CE 4.03Å; L126-M209 HydrophobicContact CG-CB 4.11Å; L126-M209 HydrophobicContact CG-CE 4.03Å; L126-M209 HydrophobicContact CG-CG 4.26Å; L126-M209 WeakPolarHBondContact O-CG 3.32Å; V127-M209 HydrophobicContact CG2-CE 3.86Å; E205-M209 VanDerWaalsContact O-CG 3.31Å; E205-M209 WeakPolarHBondContact O-CG 3.39Å; E205-M209 PolarHBondContact O-N 3.04Å; R206-M209 PolarHBondContact O-N 3.03Å; M209-L211 VanDerWaalsContact C-N 3.33Å; M209-L211 PolarHBondContact O-N 2.99Å; M209-A212 PolarHBondContact O-N 3.03Å; M209-L213 WeakPolarHBondContact O-CB 3.35Å; M209-L213 PolarHBondContact O-N 2.9Å; M209-S314 WeakPolarHBondContact CE-O 3.31Å; M209-C317 HydrophobicContact CE-CB 4.23Å; M209-E318 HydrophobicContact CE-CB 4.06Å
210L98.8Very high97.4Very high0 Ų018.2 Ų18.20%09%0.087CC..Hα-helixtrans-57.1-46.4178.3-17959.8000111.8L202 R206 C207 L213 R214 V245 L260 L263 Q310 M311L202-L210 HydrophobicContact CD1-CD2 4.06Å; R206-L210 WeakPolarHBondContact O-CB 3.49Å; R206-L210 PolarHBondContact O-N 3.45Å; C207-L210 PolarHBondContact O-N 2.95Å; L210-L213 PolarHBondContact O-N 3.42Å; L210-R214 PolarHBondContact O-N 2.91Å; L210-V245 HydrophobicContact CD2-CG1 4Å; L210-V245 HydrophobicContact CD2-CG2 4.38Å; L210-L260 HydrophobicContact CD1-CD2 3.65Å; L210-L260 HydrophobicContact CD2-CD2 4.31Å; L210-L260 HydrophobicContact CG-CD2 4.06Å; L210-L263 HydrophobicContact CG-CD2 4.23Å; L210-Q310 VanDerWaalsContact CD1-C 3.42Å; L210-Q310 HydrophobicContact CD1-CB 3.76Å; L210-Q310 WeakPolarHBondContact CD1-O 3.26Å; L210-M311 HydrophobicContact CD1-CB 4.17Å; L210-M311 HydrophobicContact CD2-SD 4.34Å
211L98.8Very high97.6Very high0 Ų013.6 Ų13.60%07%0.069CC..Hα-helixtrans-65.9-45.1178.9-175.655.6000112.3C207 R208 M209 L213 R214 I215 V233 F237 L242 L263 L267C207-L211 WeakPolarHBondContact O-CB 3.45Å; C207-L211 PolarHBondContact O-N 3.24Å; R208-L211 PolarHBondContact O-N 3Å; M209-L211 VanDerWaalsContact C-N 3.33Å; M209-L211 PolarHBondContact O-N 2.99Å; L211-L213 VanDerWaalsContact C-N 3.32Å; L211-L213 PolarHBondContact O-N 3.49Å; L211-R214 PolarHBondContact O-N 3.01Å; L211-I215 HydrophobicContact CG-CD1 4.22Å; L211-I215 WeakPolarHBondContact O-CG1 3.37Å; L211-I215 PolarHBondContact O-N 2.66Å; L211-V233 HydrophobicContact CD1-CG1 3.67Å; L211-F237 HydrophobicContact CB-CD2 4.23Å; L211-F237 HydrophobicContact CD2-CB 3.87Å; L211-F237 HydrophobicContact CD2-CD2 4.03Å; L211-F237 HydrophobicContact CD2-CG 4.47Å; L211-F237 HydrophobicContact CG-CB 4.3Å; L211-F237 HydrophobicContact CG-CD2 4.02Å; L211-L242 HydrophobicContact CD2-CD2 4.36Å; L211-L263 HydrophobicContact CB-CD1 4.16Å; L211-L263 HydrophobicContact CD1-CD1 4.26Å; L211-L263 HydrophobicContact CD1-CD2 4.09Å; L211-L263 HydrophobicContact CD1-CG 4.37Å; L211-L267 HydrophobicContact CD1-CD1 4.28Å; L211-L267 HydrophobicContact CD1-CD2 4.45Å
212A98.8Very high97.8Very high0 Ų015.6 Ų15.60%07%0.072CC..Hα-helixtrans-57.6-45.4175.700000111.9L126 L129 I136 R208 M209 R214 I215 N216 F237L126-A212 HydrophobicContact CD1-CB 3.8Å; L129-A212 HydrophobicContact CB-CB 4.27Å; L129-A212 HydrophobicContact CD1-CB 3.97Å; I136-A212 HydrophobicContact CD1-CB 3.89Å; R208-A212 WeakPolarHBondContact O-CB 3.35Å; R208-A212 PolarHBondContact O-N 3.4Å; M209-A212 PolarHBondContact O-N 3.03Å; A212-R214 VanDerWaalsContact C-N 3.35Å; A212-I215 WeakPolarHBondContact O-CB 3.27Å; A212-I215 PolarHBondContact O-N 3.09Å; A212-N216 PolarHBondContact O-N 2.9Å; A212-F237 HydrophobicContact CB-CD2 4.41Å; A212-F237 HydrophobicContact CB-CE2 3.69Å; A212-F237 HydrophobicContact CB-CZ 4.16Å
213L98.4Very high97.9Very high3 Ų315.4 Ų15.42%0.0167%0.071CC..Hα-helixtrans-67.1-37.7179-177.450000111.6L126 M209 L210 L211 I215 N216 V217 Q310 T313 L422L126-L213 HydrophobicContact CD1-CB 4.1Å; L126-L213 HydrophobicContact CD2-CB 4.37Å; L126-L213 HydrophobicContact CD2-CD2 4.33Å; M209-L213 WeakPolarHBondContact O-CB 3.35Å; M209-L213 PolarHBondContact O-N 2.9Å; L210-L213 PolarHBondContact O-N 3.42Å; L211-L213 VanDerWaalsContact C-N 3.32Å; L211-L213 PolarHBondContact O-N 3.49Å; L213-I215 VanDerWaalsContact C-N 3.32Å; L213-I215 PolarHBondContact O-N 2.84Å; L213-N216 HydrophobicContact CD1-CB 4.36Å; L213-N216 WeakPolarHBondContact O-CB 3.17Å; L213-N216 PolarHBondContact O-N 3.38Å; L213-V217 HydrophobicContact CD1-CG2 4.38Å; L213-V217 PolarHBondContact O-N 3.21Å; L213-Q310 HydrophobicContact CB-CB 4.43Å; L213-Q310 HydrophobicContact CB-CG 4.42Å; L213-Q310 HydrophobicContact CD2-CB 4Å; L213-Q310 HydrophobicContact CD2-CG 4.14Å; L213-Q310 HydrophobicContact CG-CB 4.01Å; L213-Q310 HydrophobicContact CG-CG 3.75Å; L213-T313 HydrophobicContact CD2-CG2 3.67Å; L213-L422 HydrophobicContact CD1-CD1 3.44Å; L213-L422 VanDerWaalsContact CD1-CD1 3.44Å; L213-L422 HydrophobicContact CD1-CG 4.26Å; L213-L422 VanDerWaalsContact CD1-O 3.32Å; L213-L422 WeakPolarHBondContact CD1-O 3.37Å; L213-L422 HydrophobicContact CD2-CD1 4.07Å; L213-L422 HydrophobicContact CG-CD1 4.31Å
214R98.4Very high98Very high2 Ų213.1 Ų13.11%0.0086%0.059CC..Hα-helixtrans-61.5-42.4173.2-17266.8-150.6-175.3-0.3111.6L210 L211 A212 N216 V217 L218 L263 L305 N307 D427L210-R214 PolarHBondContact O-N 2.91Å; L211-R214 PolarHBondContact O-N 3.01Å; A212-R214 VanDerWaalsContact C-N 3.35Å; R214-N216 VanDerWaalsContact C-N 3.33Å; R214-N216 PolarHBondContact O-N 3.27Å; R214-V217 PolarHBondContact O-N 2.68Å; R214-L218 HydrophobicContact CG-CD1 4.08Å; R214-L218 WeakPolarHBondContact O-CG 3.14Å; R214-L218 PolarHBondContact O-N 3.02Å; R214-L218 VanDerWaalsContact O-N 3.07Å; R214-L263 HydrophobicContact CB-CD2 4.4Å; R214-L305 WeakPolarHBondContact CD-O 3.33Å; R214-L305 VanDerWaalsContact CZ-N 3.34Å; R214-L305 VanDerWaalsContact NE-CA 3.31Å; R214-L305 PolarHBondContact NE-O 3.5Å; R214-N307 PolarHBondContact NH1-O 2.86Å; R214-D427 IonicContact NH2-OD2 2.83Å; R214-D427 PolarHBondContact NH2-OD2 3.24Å
215I98.8Very high98.2Very high0 Ų012.6 Ų12.60%06%0.056CC..Hα-helixtrans-59.5-44.7174-66.1161.1000110.6L116 I136 L138 L211 A212 L213 V217 L218 A219 L230 V233 I234 F237L116-I215 HydrophobicContact CD1-CB 4.33Å; L116-I215 HydrophobicContact CD1-CG2 3.87Å; I136-I215 HydrophobicContact CD1-CD1 3.95Å; I136-I215 HydrophobicContact CG2-CG2 4.11Å; L138-I215 HydrophobicContact CD2-CG2 4.42Å; L211-I215 HydrophobicContact CG-CD1 4.22Å; L211-I215 WeakPolarHBondContact O-CG1 3.37Å; L211-I215 PolarHBondContact O-N 2.66Å; A212-I215 WeakPolarHBondContact O-CB 3.27Å; A212-I215 PolarHBondContact O-N 3.09Å; L213-I215 VanDerWaalsContact C-N 3.32Å; L213-I215 PolarHBondContact O-N 2.84Å; I215-V217 PolarHBondContact O-N 3.03Å; I215-L218 PolarHBondContact O-N 3.41Å; I215-A219 WeakPolarHBondContact O-CB 3.4Å; I215-A219 PolarHBondContact O-N 3.26Å; I215-L230 HydrophobicContact CG1-CD1 4.47Å; I215-L230 HydrophobicContact CG2-CD1 4.09Å; I215-V233 HydrophobicContact CD1-CG1 4.18Å; I215-V233 HydrophobicContact CG1-CG1 3.92Å; I215-I234 HydrophobicContact CD1-CG1 3.99Å; I215-I234 HydrophobicContact CG1-CG1 4.26Å; I215-I234 HydrophobicContact CG2-CD1 3.94Å; I215-I234 HydrophobicContact CG2-CG1 3.7Å; I215-F237 HydrophobicContact CD1-CB 3.88Å; I215-F237 HydrophobicContact CD1-CD2 4.37Å; I215-F237 HydrophobicContact CD1-CG 4.14Å
216N98.8Very high98.3Very high0 Ų09.9 Ų9.90%04%0.043CC..Hα-helixtrans-59.2-46.2179.1-164.353.5000112.1L116 G118 L121 A212 L213 R214 L218 A219 K220 L422 N423L116-N216 HydrophobicContact CD1-CB 4.21Å; G118-N216 WeakPolarHBondContact CA-O 3.46Å; G118-N216 VanDerWaalsContact CA-OD1 3.24Å; G118-N216 WeakPolarHBondContact CA-OD1 3.45Å; G118-N216 PolarHBondContact N-OD1 2.9Å; G118-N216 VanDerWaalsContact N-OD1 3.13Å; L121-N216 HydrophobicContact CD2-CB 4.03Å; A212-N216 PolarHBondContact O-N 2.9Å; L213-N216 HydrophobicContact CD1-CB 4.36Å; L213-N216 WeakPolarHBondContact O-CB 3.17Å; L213-N216 PolarHBondContact O-N 3.38Å; R214-N216 VanDerWaalsContact C-N 3.33Å; R214-N216 PolarHBondContact O-N 3.27Å; N216-L218 VanDerWaalsContact C-N 3.34Å; N216-L218 PolarHBondContact O-N 2.87Å; N216-A219 WeakPolarHBondContact O-CB 3.06Å; N216-A219 PolarHBondContact O-N 3.01Å; N216-K220 PolarHBondContact O-N 3.26Å; N216-L422 PolarHBondContact ND2-O 3.48Å; N216-L422 VanDerWaalsContact ND2-O 3.1Å; N216-N423 PolarHBondContact ND2-OD1 2.96Å
217V98Very high98.3Very high3 Ų38.6 Ų8.62%0.0184%0.041CC..Hα-helixtrans-63.3-41.3178.2172.70000111.6L213 R214 I215 K220 Q310L213-V217 HydrophobicContact CD1-CG2 4.38Å; L213-V217 PolarHBondContact O-N 3.21Å; R214-V217 PolarHBondContact O-N 2.68Å; I215-V217 PolarHBondContact O-N 3.03Å; V217-K220 VanDerWaalsContact O-CB 3.31Å; V217-K220 WeakPolarHBondContact O-CB 3.35Å; V217-K220 PolarHBondContact O-N 3.23Å; V217-Q310 HydrophobicContact CG2-CG 4.26Å
218L98.5Very high98.3Very high1 Ų113.8 Ų13.81%0.0056%0.064CC..Hα-helixtrans-65.6-39.4176.6-66.5169.8000111.9V146 R214 I215 N216 K220 G221 I225 L230 A304 L305V146-L218 WeakPolarHBondContact CG2-O 3.36Å; R214-L218 HydrophobicContact CG-CD1 4.08Å; R214-L218 WeakPolarHBondContact O-CG 3.14Å; R214-L218 PolarHBondContact O-N 3.02Å; R214-L218 VanDerWaalsContact O-N 3.07Å; I215-L218 PolarHBondContact O-N 3.41Å; N216-L218 VanDerWaalsContact C-N 3.34Å; N216-L218 PolarHBondContact O-N 2.87Å; L218-K220 PolarHBondContact O-N 2.67Å; L218-G221 PolarHBondContact O-N 3.43Å; L218-G221 VanDerWaalsContact O-N 3.08Å; L218-I225 HydrophobicContact CB-CG2 4.21Å; L218-I225 HydrophobicContact CD1-CD1 3.75Å; L218-I225 HydrophobicContact CD2-CB 4.23Å; L218-I225 HydrophobicContact CD2-CD1 4.1Å; L218-I225 HydrophobicContact CD2-CG2 4.02Å; L218-I225 HydrophobicContact CG-CD1 4.46Å; L218-L230 HydrophobicContact CB-CD1 3.85Å; L218-L230 HydrophobicContact CB-CD2 4.21Å; L218-L230 HydrophobicContact CD1-CD1 3.91Å; L218-A304 HydrophobicContact CD2-CB 4Å; L218-L305 HydrophobicContact CD1-CD2 4.05Å
219A98.6Very high98.3Very high0 Ų013.6 Ų13.60%06%0.064CC..Hα-helixtrans-62-24.5177.900000113.3L138 A142 I215 N216 G221L138-A219 HydrophobicContact CD2-CB 3.66Å; A142-A219 HydrophobicContact CB-CB 4.2Å; A142-A219 WeakPolarHBondContact CB-O 3.34Å; I215-A219 WeakPolarHBondContact O-CB 3.4Å; I215-A219 PolarHBondContact O-N 3.26Å; N216-A219 WeakPolarHBondContact O-CB 3.06Å; N216-A219 PolarHBondContact O-N 3.01Å; A219-G221 PolarHBondContact O-N 2.87Å
220K98.3Very high98.3Very high32 Ų3213.2 Ų13.214%0.1396%0.062CC..THydrogen-bonded Turntrans-60.7-26.4174.7-153177.8-172.275.60112.5G118 D119 R145 N216 V217 L218 Y222 N423 A425G118-K220 WeakPolarHBondContact O-CD 3.42Å; G118-K220 WeakPolarHBondContact O-CG 3.45Å; G118-K220 PolarHBondContact O-NZ 3.29Å; D119-K220 IonicContact OD1-NZ 2.66Å; D119-K220 PolarHBondContact OD1-NZ 2.93Å; R145-K220 WeakPolarHBondContact CD-O 3.43Å; R145-K220 PolarHBondContact NE-O 2.75Å; N216-K220 PolarHBondContact O-N 3.26Å; V217-K220 VanDerWaalsContact O-CB 3.31Å; V217-K220 WeakPolarHBondContact O-CB 3.35Å; V217-K220 PolarHBondContact O-N 3.23Å; L218-K220 PolarHBondContact O-N 2.67Å; K220-Y222 HydrophobicContact CB-CD2 4.45Å; K220-Y222 HydrophobicContact CG-CD2 4.11Å; K220-Y222 HydrophobicContact CG-CE2 4.3Å; K220-Y222 WeakPolarHBondContact O-CD2 3.31Å; K220-N423 VanDerWaalsContact CE-O 3.29Å; K220-N423 WeakPolarHBondContact CE-O 3.09Å; K220-N423 PolarHBondContact NZ-O 3.08Å; K220-A425 HydrophobicContact CD-CB 3.95Å
221G98Very high98.3Very high7 Ų717.3 Ų17.37%0.0728%0.08CC..SBendtrans84.930.9169.100000115.5S149 L218 A219S149-G221 WeakPolarHBondContact CB-O 3.3Å; S149-G221 PolarHBondContact OG-O 3.45Å; L218-G221 PolarHBondContact O-N 3.43Å; L218-G221 VanDerWaalsContact O-N 3.08Å; A219-G221 PolarHBondContact O-N 2.87Å
222Y98.2Very high98.3Very high84 Ų8419.5 Ų19.533%0.3299%0.09SC..  trans-115.66.8175.8-68.2-90000113.4K220 A425 M430 V431 F432K220-Y222 HydrophobicContact CB-CD2 4.45Å; K220-Y222 HydrophobicContact CG-CD2 4.11Å; K220-Y222 HydrophobicContact CG-CE2 4.3Å; K220-Y222 WeakPolarHBondContact O-CD2 3.31Å; Y222-A425 HydrophobicContact CD2-CB 4.44Å; Y222-M430 HydrophobicContact CD1-CE 4.08Å; Y222-M430 HydrophobicContact CG-CE 3.9Å; Y222-V431 VanDerWaalsContact CD1-O 3.28Å; Y222-V431 WeakPolarHBondContact CD1-O 3.27Å; Y222-V431 PolarHBondContact O-N 3.41Å; Y222-F432 HydrophobicContact CD1-CD1 4.16Å; Y222-F432 HydrophobicContact CD1-CE1 4.18Å; Y222-F432 AromaticContact CE1-CD1 3.86Å; Y222-F432 HydrophobicContact CE1-CD1 3.86Å; Y222-F432 AromaticContact CE1-CE1 3.97Å; Y222-F432 HydrophobicContact CE1-CE1 3.97Å
223S97.3Very high98.3Very high1 Ų119.6 Ų19.61%0.0079%0.091CC..SBendtrans-99.1-16.7-173.2-71.40000114.9I225 K300 D427S223-I225 VanDerWaalsContact C-N 3.25Å; S223-I225 PolarHBondContact O-N 3.34Å; S223-K300 WeakPolarHBondContact O-CD 3.15Å; S223-K300 WeakPolarHBondContact O-CE 3.47Å; S223-K300 PolarHBondContact O-NZ 2.98Å; S223-D427 WeakPolarHBondContact CB-OD2 3.38Å; S223-D427 PolarHBondContact OG-OD2 2.9Å
224G96.9Very high98.3Very high1 Ų120.1 Ų20.11%0.019%0.093CC..  trans69.317.2-176.900000115.4S149 R150S149-G224 WeakPolarHBondContact OG-CA 3.13Å; S149-G224 PolarHBondContact OG-N 3.45Å; R150-G224 WeakPolarHBondContact CD-O 3.49Å; R150-G224 PolarHBondContact NH1-O 2.85Å
225I98.3Very high98.3Very high2 Ų225 Ų251%0.0112%0.116CC..  trans-71.5147.8170.6-162172.3000110.1V146 L218 S223 T229 L230 E301 L305V146-I225 HydrophobicContact CG1-CG2 4Å; V146-I225 WeakPolarHBondContact CG1-O 3.28Å; L218-I225 HydrophobicContact CB-CG2 4.21Å; L218-I225 HydrophobicContact CD1-CD1 3.75Å; L218-I225 HydrophobicContact CD2-CB 4.23Å; L218-I225 HydrophobicContact CD2-CD1 4.1Å; L218-I225 HydrophobicContact CD2-CG2 4.02Å; L218-I225 HydrophobicContact CG-CD1 4.46Å; S223-I225 VanDerWaalsContact C-N 3.25Å; S223-I225 PolarHBondContact O-N 3.34Å; I225-T229 HydrophobicContact CD1-CG2 3.91Å; I225-T229 HydrophobicContact CG1-CG2 4.15Å; I225-L230 HydrophobicContact CG2-CB 4.47Å; I225-E301 HydrophobicContact CG1-CB 4.48Å; I225-E301 HydrophobicContact CG1-CG 4.04Å; I225-L305 HydrophobicContact CD1-CD2 4.36Å
226S98.3Very high98.3Very high6 Ų625 Ų254%0.04212%0.117CC..  trans-76147.7172.871.80000111.8E228 T229 L230 K298 E301S226-E228 PolarHBondContact O-N 3Å; S226-T229 PolarHBondContact O-N 2.83Å; S226-T229 PolarHBondContact OG-N 2.83Å; S226-T229 PolarHBondContact OG-OG1 3.21Å; S226-T229 VanDerWaalsContact OG-OG1 3.07Å; S226-L230 PolarHBondContact O-N 3.19Å; S226-L230 VanDerWaalsContact O-N 3.08Å; S226-K298 PolarHBondContact OG-NZ 3.25Å; S226-E301 WeakPolarHBondContact CA-OE1 3.31Å; S226-E301 WeakPolarHBondContact CB-OE1 3.42Å; S226-E301 PolarHBondContact N-OE1 3.16Å; S226-E301 PolarHBondContact OG-OE1 3.21Å
227L98.6Very high98.3Very high25 Ų2525 Ų2513%0.13112%0.117CC..Hα-helixtrans-61.5-34.3177.3-177.660.6000111.9L138 E143 V146 L230 K231L138-L227 HydrophobicContact CD1-CD1 4Å; E143-L227 HydrophobicContact CB-CD1 4.13Å; E143-L227 HydrophobicContact CB-CD2 4.22Å; E143-L227 HydrophobicContact CG-CD1 4.02Å; V146-L227 HydrophobicContact CG1-CB 4.36Å; L227-L230 PolarHBondContact O-N 3.02Å; L227-K231 HydrophobicContact CD1-CD 4.48Å; L227-K231 HydrophobicContact CD1-CG 4.41Å; L227-K231 HydrophobicContact CG-CD 4.23Å; L227-K231 WeakPolarHBondContact O-CB 3.27Å; L227-K231 VanDerWaalsContact O-CG 3.31Å; L227-K231 WeakPolarHBondContact O-CG 3.32Å; L227-K231 PolarHBondContact O-N 3.42Å
228E98.4Very high98.3Very high109 Ų10926 Ų2651%0.50912%0.122SC..Hα-helixtrans-58.8-53.8175-178-17217900111.6S226 L230 K231 Q232 K298S226-E228 PolarHBondContact O-N 3Å; E228-L230 VanDerWaalsContact C-N 3.34Å; E228-L230 PolarHBondContact O-N 3.48Å; E228-K231 PolarHBondContact O-N 2.88Å; E228-Q232 PolarHBondContact O-N 3.19Å; E228-K298 IonicContact OE2-NZ 3.52Å; E228-K298 PolarHBondContact OE2-NZ 3.15Å
229T98.6Very high98.2Very high2 Ų227 Ų271%0.01213%0.13CC..Hα-helixtrans-60.3-44.8178.6-61.80000110.9I225 S226 K231 Q232 V233 V295 E301I225-T229 HydrophobicContact CD1-CG2 3.91Å; I225-T229 HydrophobicContact CG1-CG2 4.15Å; S226-T229 PolarHBondContact O-N 2.83Å; S226-T229 PolarHBondContact OG-N 2.83Å; S226-T229 PolarHBondContact OG-OG1 3.21Å; S226-T229 VanDerWaalsContact OG-OG1 3.07Å; T229-K231 VanDerWaalsContact C-N 3.31Å; T229-K231 PolarHBondContact O-N 3.07Å; T229-Q232 PolarHBondContact O-N 3.23Å; T229-V233 WeakPolarHBondContact O-CG2 3.45Å; T229-V233 PolarHBondContact O-N 3.49Å; T229-V295 HydrophobicContact CG2-CG1 3.65Å; T229-E301 WeakPolarHBondContact CB-OE1 3.33Å; T229-E301 VanDerWaalsContact OG1-CD 3.27Å; T229-E301 PolarHBondContact OG1-OE1 3.35Å; T229-E301 VanDerWaalsContact OG1-OE1 3.07Å; T229-E301 PolarHBondContact OG1-OE2 3.14Å
230L98.8Very high98Very high0 Ų027.1 Ų27.10%013%0.131CC..Hα-helixtrans-61.9-38178.6-175.155.3000112.4L138 V146 I215 L218 I225 S226 L227 E228 V233 I234L138-L230 HydrophobicContact CD1-CD2 3.69Å; L138-L230 HydrophobicContact CD1-CG 4.11Å; V146-L230 HydrophobicContact CG1-CD2 4.31Å; V146-L230 HydrophobicContact CG2-CD2 3.93Å; I215-L230 HydrophobicContact CG1-CD1 4.47Å; I215-L230 HydrophobicContact CG2-CD1 4.09Å; L218-L230 HydrophobicContact CB-CD1 3.85Å; L218-L230 HydrophobicContact CB-CD2 4.21Å; L218-L230 HydrophobicContact CD1-CD1 3.91Å; I225-L230 HydrophobicContact CG2-CB 4.47Å; S226-L230 PolarHBondContact O-N 3.19Å; S226-L230 VanDerWaalsContact O-N 3.08Å; L227-L230 PolarHBondContact O-N 3.02Å; E228-L230 VanDerWaalsContact C-N 3.34Å; E228-L230 PolarHBondContact O-N 3.48Å; L230-V233 PolarHBondContact O-N 3Å; L230-I234 HydrophobicContact CG-CD1 4.22Å; L230-I234 VanDerWaalsContact O-CG1 3.31Å; L230-I234 WeakPolarHBondContact O-CG1 3.49Å; L230-I234 PolarHBondContact O-N 2.67Å
231K98.6Very high97.9Very high85 Ų8525.6 Ų25.637%0.3712%0.124SC..Hα-helixtrans-64.8-42.9174.8-77.5179.9176.7-174.70112.3E143 L227 E228 T229 V233 I234 E235E143-K231 WeakPolarHBondContact OE1-CE 3.22Å; E143-K231 IonicContact OE1-NZ 3.87Å; E143-K231 PolarHBondContact OE1-NZ 3.18Å; L227-K231 HydrophobicContact CD1-CD 4.48Å; L227-K231 HydrophobicContact CD1-CG 4.41Å; L227-K231 HydrophobicContact CG-CD 4.23Å; L227-K231 WeakPolarHBondContact O-CB 3.27Å; L227-K231 VanDerWaalsContact O-CG 3.31Å; L227-K231 WeakPolarHBondContact O-CG 3.32Å; L227-K231 PolarHBondContact O-N 3.42Å; E228-K231 PolarHBondContact O-N 2.88Å; T229-K231 VanDerWaalsContact C-N 3.31Å; T229-K231 PolarHBondContact O-N 3.07Å; K231-V233 VanDerWaalsContact C-N 3.32Å; K231-V233 PolarHBondContact O-N 3.16Å; K231-I234 WeakPolarHBondContact O-CB 3.38Å; K231-I234 PolarHBondContact O-N 2.69Å; K231-I234 VanDerWaalsContact O-N 3.17Å; K231-E235 WeakPolarHBondContact O-CG 3.43Å; K231-E235 PolarHBondContact O-N 2.69Å
232Q98.5Very high97.9Very high47 Ų4725.4 Ų25.422%0.2212%0.122CC..Hα-helixtrans-60.2-42.2174.7-70.3178.82.600112E228 T229 I234 E235 M236 V295E228-Q232 PolarHBondContact O-N 3.19Å; T229-Q232 PolarHBondContact O-N 3.23Å; Q232-I234 VanDerWaalsContact C-N 3.32Å; Q232-I234 PolarHBondContact O-N 2.8Å; Q232-E235 WeakPolarHBondContact O-CB 3.27Å; Q232-E235 PolarHBondContact O-N 2.79Å; Q232-M236 WeakPolarHBondContact O-CG 3.38Å; Q232-M236 PolarHBondContact O-N 2.88Å; Q232-V295 HydrophobicContact CB-CG2 4.26Å
233V98.8Very high97.9Very high2 Ų221.4 Ų21.41%0.01211%0.106CC..Hα-helixtrans-63.3-39.1176.3176.80000111.4L211 I215 T229 L230 K231 M236 F237 L267 V295 L305L211-V233 HydrophobicContact CD1-CG1 3.67Å; I215-V233 HydrophobicContact CD1-CG1 4.18Å; I215-V233 HydrophobicContact CG1-CG1 3.92Å; T229-V233 WeakPolarHBondContact O-CG2 3.45Å; T229-V233 PolarHBondContact O-N 3.49Å; L230-V233 PolarHBondContact O-N 3Å; K231-V233 VanDerWaalsContact C-N 3.32Å; K231-V233 PolarHBondContact O-N 3.16Å; V233-M236 PolarHBondContact O-N 3.42Å; V233-F237 PolarHBondContact O-N 2.94Å; V233-L267 HydrophobicContact CG1-CD1 4.14Å; V233-L267 HydrophobicContact CG1-CD2 4.46Å; V233-L267 HydrophobicContact CG2-CD1 4.07Å; V233-V295 HydrophobicContact CG2-CG2 4.29Å; V233-L305 HydrophobicContact CG2-CD2 4.43Å
234I98.8Very high97.9Very high13 Ų1324.8 Ų24.87%0.06712%0.119CC..Hα-helixtrans-65.2-39.8174.2-70.7164.8000111.5I136 L138 I215 L230 K231 Q232 F237 N238I136-I234 HydrophobicContact CB-CG2 4.27Å; I136-I234 HydrophobicContact CG2-CD1 4.26Å; I136-I234 HydrophobicContact CG2-CG1 4.09Å; I136-I234 HydrophobicContact CG2-CG2 4.13Å; I136-I234 VanDerWaalsContact O-CG2 3.28Å; I136-I234 WeakPolarHBondContact O-CG2 3.36Å; L138-I234 HydrophobicContact CD1-CD1 3.97Å; L138-I234 HydrophobicContact CD2-CD1 3.81Å; L138-I234 HydrophobicContact CG-CD1 3.57Å; I215-I234 HydrophobicContact CD1-CG1 3.99Å; I215-I234 HydrophobicContact CG1-CG1 4.26Å; I215-I234 HydrophobicContact CG2-CD1 3.94Å; I215-I234 HydrophobicContact CG2-CG1 3.7Å; L230-I234 HydrophobicContact CG-CD1 4.22Å; L230-I234 VanDerWaalsContact O-CG1 3.31Å; L230-I234 WeakPolarHBondContact O-CG1 3.49Å; L230-I234 PolarHBondContact O-N 2.67Å; K231-I234 WeakPolarHBondContact O-CB 3.38Å; K231-I234 PolarHBondContact O-N 2.69Å; K231-I234 VanDerWaalsContact O-N 3.17Å; Q232-I234 VanDerWaalsContact C-N 3.32Å; Q232-I234 PolarHBondContact O-N 2.8Å; I234-F237 PolarHBondContact O-N 3.46Å; I234-N238 WeakPolarHBondContact CG2-ND2 3Å; I234-N238 WeakPolarHBondContact O-CB 3.44Å; I234-N238 PolarHBondContact O-N 2.71Å; I234-N238 PolarHBondContact O-ND2 3.16Å
235E98.4Very high98Very high104 Ų10424.7 Ų24.749%0.48612%0.118SC..Hα-helixtrans-61-44.4174.9-71.8171.4176.200111.3K231 Q232 N238 A239 L292K231-E235 WeakPolarHBondContact O-CG 3.43Å; K231-E235 PolarHBondContact O-N 2.69Å; Q232-E235 WeakPolarHBondContact O-CB 3.27Å; Q232-E235 PolarHBondContact O-N 2.79Å; E235-N238 PolarHBondContact O-N 2.84Å; E235-A239 WeakPolarHBondContact O-CB 3.48Å; E235-A239 PolarHBondContact O-N 3.39Å; E235-L292 HydrophobicContact CB-CD2 3.99Å
236M98.4Very high98Very high2 Ų224.8 Ų24.81%0.0112%0.119CC..Hα-helixtrans-61.7-43.7174.5-66.2177.3-173.400112.1Q232 V233 A239 S240 C241 L267 L287 L292 K293 V295Q232-M236 WeakPolarHBondContact O-CG 3.38Å; Q232-M236 PolarHBondContact O-N 2.88Å; V233-M236 PolarHBondContact O-N 3.42Å; M236-A239 PolarHBondContact O-N 3.25Å; M236-S240 PolarHBondContact O-N 2.75Å; M236-C241 HydrophobicContact CB-CB 4.29Å; M236-C241 WeakPolarHBondContact O-CB 3.06Å; M236-C241 PolarHBondContact O-N 3.22Å; M236-L267 HydrophobicContact CB-CD2 4.33Å; M236-L267 HydrophobicContact SD-CB 4.3Å; M236-L267 HydrophobicContact SD-CD2 3.49Å; M236-L267 WeakPolarHBondContact SD-CD2 3.34Å; M236-L287 HydrophobicContact CE-CD1 3.95Å; M236-L287 HydrophobicContact CE-CD2 3.77Å; M236-L287 HydrophobicContact CG-CD2 3.76Å; M236-L287 HydrophobicContact SD-CD2 3.79Å; M236-L292 HydrophobicContact CB-CD1 4.38Å; M236-L292 HydrophobicContact CG-CD1 3.9Å; M236-K293 WeakPolarHBondContact CE-O 3.42Å; M236-V295 HydrophobicContact CE-CG2 3.81Å; M236-V295 HydrophobicContact SD-CG2 4.39Å
237F98.4Very high97.9Very high0 Ų026.8 Ų26.80%013%0.128CC..Hα-helixtrans-59.2-48.1173.3175.3-85.8000111.5L129 I136 R208 L211 A212 I215 V233 I234 A239 S240L129-F237 HydrophobicContact CB-CZ 4.18Å; L129-F237 HydrophobicContact CD2-CE1 3.82Å; L129-F237 HydrophobicContact CD2-CZ 3.56Å; L129-F237 HydrophobicContact CG-CZ 4.45Å; I136-F237 HydrophobicContact CB-CD1 4.11Å; I136-F237 HydrophobicContact CB-CE1 4.24Å; I136-F237 HydrophobicContact CD1-CD1 3.56Å; I136-F237 HydrophobicContact CD1-CD2 4.11Å; I136-F237 HydrophobicContact CD1-CE1 3.43Å; I136-F237 VanDerWaalsContact CD1-CE1 3.43Å; I136-F237 HydrophobicContact CD1-CE2 3.96Å; I136-F237 HydrophobicContact CD1-CG 3.93Å; I136-F237 HydrophobicContact CD1-CZ 3.65Å; I136-F237 HydrophobicContact CG1-CD1 3.84Å; I136-F237 HydrophobicContact CG1-CE1 3.54Å; I136-F237 HydrophobicContact CG1-CZ 4.14Å; R208-F237 HydrophobicContact CB-CE2 4.49Å; R208-F237 HydrophobicContact CG-CD2 4.13Å; R208-F237 HydrophobicContact CG-CE2 3.35Å; R208-F237 HydrophobicContact CG-CZ 3.83Å; R208-F237 PolarHBondContact NH1-O 3.39Å; R208-F237 VanDerWaalsContact NH2-CE1 3.25Å; R208-F237 PolarHBondContact NH2-O 2.93Å; R208-F237 WeakPolarHBondContact O-CE2 3.45Å; L211-F237 HydrophobicContact CB-CD2 4.23Å; L211-F237 HydrophobicContact CD2-CB 3.87Å; L211-F237 HydrophobicContact CD2-CD2 4.03Å; L211-F237 HydrophobicContact CD2-CG 4.47Å; L211-F237 HydrophobicContact CG-CB 4.3Å; L211-F237 HydrophobicContact CG-CD2 4.02Å; A212-F237 HydrophobicContact CB-CD2 4.41Å; A212-F237 HydrophobicContact CB-CE2 3.69Å; A212-F237 HydrophobicContact CB-CZ 4.16Å; I215-F237 HydrophobicContact CD1-CB 3.88Å; I215-F237 HydrophobicContact CD1-CD2 4.37Å; I215-F237 HydrophobicContact CD1-CG 4.14Å; V233-F237 PolarHBondContact O-N 2.94Å; I234-F237 PolarHBondContact O-N 3.46Å; F237-A239 PolarHBondContact O-N 3.12Å; F237-S240 PolarHBondContact O-N 2.91Å
238N97.9Very high97.8Very high23 Ų2330.1 Ų30.112%0.12314%0.141CC..Hα-helixtrans-65-28.8-178.4-74.2-17.2000112.5K135 I136 I234 E235 S240K135-N238 WeakPolarHBondContact CA-OD1 3.35Å; K135-N238 VanDerWaalsContact CB-OD1 3.25Å; K135-N238 WeakPolarHBondContact CB-OD1 3.36Å; K135-N238 HydrophobicContact CD-CB 4.31Å; K135-N238 HydrophobicContact CG-CB 4.21Å; I136-N238 PolarHBondContact N-OD1 2.85Å; I136-N238 PolarHBondContact O-ND2 2.72Å; I234-N238 WeakPolarHBondContact CG2-ND2 3Å; I234-N238 WeakPolarHBondContact O-CB 3.44Å; I234-N238 PolarHBondContact O-N 2.71Å; I234-N238 PolarHBondContact O-ND2 3.16Å; E235-N238 PolarHBondContact O-N 2.84Å; N238-S240 VanDerWaalsContact C-N 3.3Å
239A95.5Very high97.7Very high22 Ų2227.2 Ų27.218%0.18214%0.14CC..THydrogen-bonded Turntrans-83-0.6172.900000113.9E235 M236 F237 C241 H290 L292E235-A239 WeakPolarHBondContact O-CB 3.48Å; E235-A239 PolarHBondContact O-N 3.39Å; M236-A239 PolarHBondContact O-N 3.25Å; F237-A239 PolarHBondContact O-N 3.12Å; A239-C241 PolarHBondContact O-N 3Å; A239-H290 HydrophobicContact CB-CB 4.42Å; A239-L292 HydrophobicContact CB-CD1 3.83Å
240S94.9Very high97.6Very high3 Ų328.2 Ų28.22%0.02115%0.146CC..THydrogen-bonded Turntrans56.735.5-174.8-56.70000113.3Y107 R208 M236 F237 N238 L242 S275Y107-S240 PolarHBondContact OH-OG 3.49Å; R208-S240 PolarHBondContact NH1-OG 3.44Å; M236-S240 PolarHBondContact O-N 2.75Å; F237-S240 PolarHBondContact O-N 2.91Å; N238-S240 VanDerWaalsContact C-N 3.3Å; S240-L242 PolarHBondContact O-N 3.36Å; S240-S275 WeakPolarHBondContact O-CA 3.43Å
241C96.4Very high97.4Very high0 Ų030.1 Ų30.10%016%0.158CC..  trans-86.398.2171.8-70.90000108.7M236 A239 M273 L287 H290M236-C241 HydrophobicContact CB-CB 4.29Å; M236-C241 WeakPolarHBondContact O-CB 3.06Å; M236-C241 PolarHBondContact O-N 3.22Å; A239-C241 PolarHBondContact O-N 3Å; C241-M273 HydrophobicContact CB-CE 4.49Å; C241-M273 HydrophobicContact CB-CG 4.49Å; C241-M273 HydrophobicContact CB-SD 3.56Å; C241-M273 VanDerWaalsContact CB-SD 3.56Å; C241-L287 HydrophobicContact CB-CD2 4.25Å; C241-H290 VanDerWaalsContact SG-CG 3.59Å
242L97.6Very high97.1Very high2 Ų226.1 Ų26.11%0.0114%0.141CC..EExtended strand (participates in β ladder)trans-113.2113.1-166-61.3177.6000111.4P204 C207 R208 L211 S240 M273 W274P204-L242 HydrophobicContact CB-CD1 3.85Å; P204-L242 VanDerWaalsContact O-CD1 3.31Å; P204-L242 WeakPolarHBondContact O-CD1 3.44Å; C207-L242 HydrophobicContact CB-CB 4.4Å; R208-L242 HydrophobicContact CB-CD1 3.99Å; R208-L242 HydrophobicContact CB-CD2 3.86Å; R208-L242 HydrophobicContact CG-CD2 4.18Å; L211-L242 HydrophobicContact CD2-CD2 4.36Å; S240-L242 PolarHBondContact O-N 3.36Å; L242-M273 CarbonylContact O-C 3.55Å; L242-M273 WeakPolarHBondContact O-CA 3.39Å; L242-M273 VanDerWaalsContact O-CG 3.3Å; L242-M273 WeakPolarHBondContact O-CG 3.46Å; L242-W274 HydrophobicContact CB-CE3 4.45Å; L242-W274 HydrophobicContact CD1-CE3 3.81Å; L242-W274 HydrophobicContact CD1-CZ3 4.01Å; L242-W274 HydrophobicContact CG-CE3 4.34Å; L242-W274 PolarHBondContact N-O 2.99Å; L242-W274 PolarHBondContact O-N 3.35Å
243P98.4Very high96.1Very high0 Ų024 Ų240%013%0.131CC..EExtended strand (participates in β ladder)trans-55.9153.9179.8-28.636.4000114.3C207 V245 L263 L267 M273C207-P243 PolarHBondContact SG-O 3.21Å; P243-V245 HydrophobicContact CB-CG2 4.39Å; P243-V245 PolarHBondContact O-N 3.44Å; P243-L263 HydrophobicContact CB-CD1 4.21Å; P243-L263 WeakPolarHBondContact CB-O 3.35Å; P243-L263 HydrophobicContact CG-CD1 3.85Å; P243-L263 HydrophobicContact CG-CG 4.41Å; P243-L263 WeakPolarHBondContact CG-O 3.41Å; P243-L267 HydrophobicContact CG-CD2 4.33Å; P243-L267 HydrophobicContact CG-CG 4.32Å; P243-M273 HydrophobicContact CG-CE 4.03Å
244Y97.9Very high94.9Very high72 Ų7225 Ų2528%0.28214%0.138SC..  trans-73.1114168.9-179.8-86.7000109.7P201 P246 H262 K272 W280P201-Y244 HydrophobicContact CB-CD2 3.74Å; P201-Y244 HydrophobicContact CB-CE2 3.45Å; P201-Y244 VanDerWaalsContact CB-CE2 3.45Å; P201-Y244 HydrophobicContact CB-CG 4.47Å; P201-Y244 HydrophobicContact CG-CD2 4.27Å; P201-Y244 HydrophobicContact CG-CE2 3.66Å; Y244-P246 HydrophobicContact CD1-CG 4.29Å; Y244-P246 HydrophobicContact CE1-CG 3.82Å; Y244-H262 WeakPolarHBondContact O-CB 3.44Å; Y244-K272 VanDerWaalsContact CB-O 3.3Å; Y244-K272 WeakPolarHBondContact CB-O 3.46Å; Y244-K272 HydrophobicContact CD2-CB 4.44Å; Y244-K272 HydrophobicContact CG-CB 4.26Å; Y244-K272 PolarHBondContact N-O 2.91Å; Y244-W280 HydrophobicContact CD2-CE3 4.1Å; Y244-W280 HydrophobicContact CD2-CH2 4.14Å; Y244-W280 AromaticContact CD2-CZ3 3.84Å; Y244-W280 HydrophobicContact CD2-CZ3 3.84Å; Y244-W280 HydrophobicContact CG-CZ3 4.23Å
245V98.6Very high93.8Very high0 Ų024.4 Ų24.40%014%0.136CC..  trans-122.2111-179179.40000109.8P201 L202 L210 P243 P259 H262 L263P201-V245 CarbonylContact C-O 3.52Å; P201-V245 VanDerWaalsContact CA-O 3.3Å; P201-V245 WeakPolarHBondContact CA-O 3.47Å; L202-V245 HydrophobicContact CD1-CB 4.02Å; L202-V245 HydrophobicContact CD1-CG1 3.77Å; L202-V245 HydrophobicContact CG-CB 4.24Å; L202-V245 HydrophobicContact CG-CG1 4.19Å; L202-V245 PolarHBondContact N-O 3.13Å; L210-V245 HydrophobicContact CD2-CG1 4Å; L210-V245 HydrophobicContact CD2-CG2 4.38Å; P243-V245 HydrophobicContact CB-CG2 4.39Å; P243-V245 PolarHBondContact O-N 3.44Å; V245-P259 HydrophobicContact CG1-CB 3.56Å; V245-P259 WeakPolarHBondContact CG1-O 3.44Å; V245-H262 HydrophobicContact CG2-CB 4.42Å; V245-L263 HydrophobicContact CG2-CB 4Å; V245-L263 HydrophobicContact CG2-CD1 4.15Å
246P98.1Very high93.7Very high3 Ų319.5 Ų19.52%0.01911%0.113CC..EExtended strand (participates in β ladder)trans-65.4144173.7-17.829.5000112.6G197 V198 Y244 K248G197-P246 WeakPolarHBondContact O-CG 3.34Å; V198-P246 VanDerWaalsContact O-CB 3.26Å; V198-P246 WeakPolarHBondContact O-CB 3.27Å; Y244-P246 HydrophobicContact CD1-CG 4.29Å; Y244-P246 HydrophobicContact CE1-CG 3.82Å; P246-K248 VanDerWaalsContact C-N 3.35Å; P246-K248 PolarHBondContact O-N 2.91Å
247E96.4Very high93.5Very high48 Ų4820.8 Ų20.822%0.22412%0.12CC..EExtended strand (participates in β ladder)trans-77.5-10.4-176.763.1153.1-131.500115.5K200 L202 R540K200-E247 WeakPolarHBondContact O-CG 3.31Å; K200-E247 PolarHBondContact O-N 2.63Å; L202-E247 HydrophobicContact CD2-CB 4.1Å; E247-R540 WeakPolarHBondContact O-CD 3.22Å; E247-R540 PolarHBondContact O-NE 3.48Å; E247-R540 IonicContact OE1-CZ 2.74Å; E247-R540 IonicContact OE1-NH1 3.63Å; E247-R540 PolarHBondContact OE1-NH1 2.89Å
248K97.4Very high93.5Very high95 Ų9521 Ų2141%0.41312%0.122SC..EExtended strand (participates in β ladder)trans-120.9147.5-179.5-56176.5-175175.90111.7G197 V198 P246 R540G197-K248 CarbonylContact C-O 3.49Å; G197-K248 WeakPolarHBondContact CA-O 3.46Å; V198-K248 HydrophobicContact CG2-CB 3.98Å; V198-K248 PolarHBondContact N-O 2.98Å; V198-K248 VanDerWaalsContact O-CB 3.3Å; V198-K248 WeakPolarHBondContact O-CB 3.27Å; V198-K248 PolarHBondContact O-N 3.3Å; P246-K248 VanDerWaalsContact C-N 3.35Å; P246-K248 PolarHBondContact O-N 2.91Å; K248-R540 VanDerWaalsContact CE-NH1 3.26Å
249G95.5Very high93.5Very high48 Ų4820 Ų2050%0.49512%0.117SC..  trans136.3-16.3173.100000114.7
250T95.9Very high93.6Very high23 Ų2319 Ų1914%0.14111%0.108CC..  trans-81.1138173.9177.70000111.8G252 D256 P259T250-G252 PolarHBondContact OG1-N 3.42Å; T250-D256 WeakPolarHBondContact CB-OD1 3.34Å; T250-D256 WeakPolarHBondContact OG1-CA 3.35Å; T250-D256 PolarHBondContact OG1-OD1 3.4Å; T250-P259 HydrophobicContact CG2-CG 4.35Å
251V95.9Very high93.8Very high41 Ų4118.9 Ų18.925%0.24811%0.107CC..  trans-103.3-2.8166.5-66.70000112.2A253 V532 S533 M534V251-A253 VanDerWaalsContact C-N 3.33Å; V251-A253 HydrophobicContact CG2-CB 3.72Å; V251-A253 PolarHBondContact O-N 2.96Å; V251-V532 HydrophobicContact CB-CB 4.14Å; V251-V532 HydrophobicContact CB-CG1 4.4Å; V251-V532 HydrophobicContact CB-CG2 4.03Å; V251-V532 HydrophobicContact CG2-CB 4.32Å; V251-V532 HydrophobicContact CG2-CG1 4.17Å; V251-S533 PolarHBondContact O-N 3.39Å; V251-M534 HydrophobicContact CB-SD 4.21Å; V251-M534 HydrophobicContact CG1-SD 4.19Å; V251-M534 WeakPolarHBondContact O-CA 3.39Å; V251-M534 PolarHBondContact O-N 3.04Å
252G92.1Very high93.9Very high0 Ų020 Ų200%011%0.112CC..SBendtrans62.135.5-179.500000114.3T250 G446 S533T250-G252 PolarHBondContact OG1-N 3.42Å; G252-G446 PolarHBondContact O-N 3.39Å; G252-S533 WeakPolarHBondContact CA-OG 3.48Å; G252-S533 PolarHBondContact O-OG 3.23Å
253A76.1Confident94Very high3 Ų320 Ų203%0.02511%0.112CC..SBendtrans-100.3-77.3-175.300000111.8V251 G255 F444 H445 E529 V532V251-A253 VanDerWaalsContact C-N 3.33Å; V251-A253 HydrophobicContact CG2-CB 3.72Å; V251-A253 PolarHBondContact O-N 2.96Å; A253-G255 PolarHBondContact O-N 3.37Å; A253-F444 WeakPolarHBondContact O-CD2 3.45Å; A253-F444 WeakPolarHBondContact O-CE2 3.5Å; A253-H445 WeakPolarHBondContact O-CA 3.49Å; A253-E529 HydrophobicContact CB-CG 4.47Å; A253-V532 HydrophobicContact CB-CB 3.65Å; A253-V532 HydrophobicContact CB-CG1 3.29Å
254S74.8Confident94Very high22 Ų2220 Ų2015%0.15411%0.112CC..SBendtrans-87.636.4171.2-61.40000111.3L257 N307 E529S254-L257 WeakPolarHBondContact O-CD2 3.43Å; S254-L257 WeakPolarHBondContact O-CG 3.12Å; S254-N307 PolarHBondContact O-OD1 3.05Å; S254-E529 PolarHBondContact OG-OE1 3.13Å
255G75.9Confident94Very high2 Ų217.7 Ų17.72%0.02111%0.105CC..SBendtrans81.8-173.5-166.900000114A253 L257 G308 F444A253-G255 PolarHBondContact O-N 3.37Å; G255-L257 PolarHBondContact O-N 3.43Å; G255-G308 CarbonylContact C-O 3.52Å; G255-G308 WeakPolarHBondContact CA-O 3.28Å; G255-F444 WeakPolarHBondContact CA-O 3.33Å; G255-F444 PolarHBondContact N-O 3.31Å
256D94.4Very high94Very high0 Ų017.8 Ų17.80%011%0.105CC..SBendtrans-83.153.8-179.5-65-46.9000111.3T250 A258 P259 L260 G308 T309 Q310 M311 I312T250-D256 WeakPolarHBondContact CB-OD1 3.34Å; T250-D256 WeakPolarHBondContact OG1-CA 3.35Å; T250-D256 PolarHBondContact OG1-OD1 3.4Å; D256-A258 PolarHBondContact O-N 3.49Å; D256-P259 HydrophobicContact CB-CG 3.87Å; D256-P259 WeakPolarHBondContact O-CD 3.34Å; D256-P259 VanDerWaalsContact O-CG 3.25Å; D256-P259 WeakPolarHBondContact O-CG 3.34Å; D256-L260 HydrophobicContact CB-CD1 3.86Å; D256-L260 HydrophobicContact CB-CG 4.09Å; D256-L260 WeakPolarHBondContact O-CB 3.47Å; D256-L260 WeakPolarHBondContact O-CG 3.3Å; D256-L260 PolarHBondContact O-N 3.18Å; D256-G308 PolarHBondContact N-O 3.08Å; D256-T309 VanDerWaalsContact OD2-CA 3.27Å; D256-T309 WeakPolarHBondContact OD2-CA 3.47Å; D256-Q310 PolarHBondContact OD2-N 3.36Å; D256-M311 HydrophobicContact CB-CB 3.65Å; D256-M311 VanDerWaalsContact CG-CB 3.47Å; D256-M311 WeakPolarHBondContact OD2-CA 3.5Å; D256-M311 VanDerWaalsContact OD2-CB 3.26Å; D256-M311 WeakPolarHBondContact OD2-CB 3.46Å; D256-M311 PolarHBondContact OD2-N 3.23Å; D256-I312 WeakPolarHBondContact OD1-CD1 3.48Å; D256-I312 WeakPolarHBondContact OD1-CG1 3.38Å; D256-I312 PolarHBondContact OD2-N 3.21Å; D256-I312 VanDerWaalsContact OD2-N 3.11Å
257L96.1Very high94Very high30 Ų3017.7 Ų17.716%0.15711%0.105CC..Hα-helixtrans-52.5-53.4-167.6-71.3176.2000113.1S254 G255 S261 I306S254-L257 WeakPolarHBondContact O-CD2 3.43Å; S254-L257 WeakPolarHBondContact O-CG 3.12Å; G255-L257 PolarHBondContact O-N 3.43Å; L257-S261 WeakPolarHBondContact O-CB 3.46Å; L257-S261 PolarHBondContact O-N 3.36Å; L257-S261 PolarHBondContact O-OG 3.26Å; L257-I306 HydrophobicContact CD2-CD1 4.03Å; L257-I306 HydrophobicContact CD2-CG1 3.91Å
258A97.4Very high94.1Very high5 Ų516.1 Ų16.14%0.04110%0.098CC..Hα-helixtrans-60.6-55.6-177.100000113.3H194 D256 L260 S261 H262H194-A258 WeakPolarHBondContact O-CA 3.47Å; D256-A258 PolarHBondContact O-N 3.49Å; A258-L260 PolarHBondContact O-N 3.46Å; A258-S261 PolarHBondContact O-N 3.02Å; A258-H262 PolarHBondContact O-CD2 3.29Å; A258-H262 VanDerWaalsContact O-CD2 3.31Å; A258-H262 PolarHBondContact O-N 3.06Å; A258-H262 VanDerWaalsContact O-N 3.1Å
259P97.9Very high94.2Very high2 Ų212.2 Ų12.21%0.0138%0.084CC..Hα-helixtrans-65.8-37.117925.6-35.3000113.1V245 T250 D256 S261 H262 L263 M311V245-P259 HydrophobicContact CG1-CB 3.56Å; V245-P259 WeakPolarHBondContact CG1-O 3.44Å; T250-P259 HydrophobicContact CG2-CG 4.35Å; D256-P259 HydrophobicContact CB-CG 3.87Å; D256-P259 WeakPolarHBondContact O-CD 3.34Å; D256-P259 VanDerWaalsContact O-CG 3.25Å; D256-P259 WeakPolarHBondContact O-CG 3.34Å; P259-S261 VanDerWaalsContact C-N 3.34Å; P259-H262 PolarHBondContact O-N 3.1Å; P259-L263 PolarHBondContact O-N 3.17Å; P259-M311 HydrophobicContact CB-CG 4.31Å; P259-M311 HydrophobicContact CB-SD 4.5Å; P259-M311 HydrophobicContact CG-CB 4.03Å; P259-M311 HydrophobicContact CG-CG 4.01Å
260L98.4Very high94.3Very high0 Ų012.6 Ų12.60%07%0.073CC..Hα-helixtrans-73.6-25.8177.5-66.5169.5000113.1L210 D256 A258 L263 A264 I306 G308 Q310L210-L260 HydrophobicContact CD1-CD2 3.65Å; L210-L260 HydrophobicContact CD2-CD2 4.31Å; L210-L260 HydrophobicContact CG-CD2 4.06Å; D256-L260 HydrophobicContact CB-CD1 3.86Å; D256-L260 HydrophobicContact CB-CG 4.09Å; D256-L260 WeakPolarHBondContact O-CB 3.47Å; D256-L260 WeakPolarHBondContact O-CG 3.3Å; D256-L260 PolarHBondContact O-N 3.18Å; A258-L260 PolarHBondContact O-N 3.46Å; L260-L263 HydrophobicContact CD2-CD2 4.02Å; L260-L263 WeakPolarHBondContact O-CB 3.42Å; L260-L263 PolarHBondContact O-N 3.2Å; L260-A264 WeakPolarHBondContact O-CB 3.31Å; L260-A264 PolarHBondContact O-N 2.7Å; L260-I306 HydrophobicContact CB-CB 4.22Å; L260-I306 VanDerWaalsContact CD1-O 3.22Å; L260-I306 WeakPolarHBondContact CD1-O 3.29Å; L260-G308 WeakPolarHBondContact CD1-O 3.45Å; L260-Q310 HydrophobicContact CD2-CB 4.27Å
261S98.6Very high94.2Very high0 Ų013.5 Ų13.50%09%0.086CC..Hα-helixtrans-69.3-41.2170.9-60.80000111H194 S195 L257 A258 P259 L263 A264 L265H194-S261 WeakPolarHBondContact CB-OG 3.22Å; S195-S261 WeakPolarHBondContact OG-CB 3.09Å; S195-S261 PolarHBondContact OG-O 3.21Å; S195-S261 VanDerWaalsContact OG-O 3.1Å; L257-S261 WeakPolarHBondContact O-CB 3.46Å; L257-S261 PolarHBondContact O-N 3.36Å; L257-S261 PolarHBondContact O-OG 3.26Å; A258-S261 PolarHBondContact O-N 3.02Å; P259-S261 VanDerWaalsContact C-N 3.34Å; S261-L263 VanDerWaalsContact C-N 3.28Å; S261-L263 PolarHBondContact O-N 3.45Å; S261-A264 CarbonylContact O-C 3.59Å; S261-A264 PolarHBondContact O-N 2.91Å; S261-L265 VanDerWaalsContact O-CB 3.3Å; S261-L265 WeakPolarHBondContact O-CB 3.33Å; S261-L265 PolarHBondContact O-N 3.36Å
262H98.8Very high94.1Very high25 Ų2517.1 Ų17.112%0.11610%0.099CC..Hα-helixtrans-61.8-37.4171-87-79.3000112S195 G197 Y244 V245 A258 P259 L265 G266S195-H262 PolarHBondContact O-CE1 3.12Å; S195-H262 PolarHBondContact O-NE2 3.42Å; S195-H262 VanDerWaalsContact O-NE2 3.09Å; S195-H262 PolarHBondContact OG-N 2.97Å; G197-H262 PolarHBondContact N-NE2 3.28Å; G197-H262 VanDerWaalsContact N-NE2 3.17Å; Y244-H262 WeakPolarHBondContact O-CB 3.44Å; V245-H262 HydrophobicContact CG2-CB 4.42Å; A258-H262 PolarHBondContact O-CD2 3.29Å; A258-H262 VanDerWaalsContact O-CD2 3.31Å; A258-H262 PolarHBondContact O-N 3.06Å; A258-H262 VanDerWaalsContact O-N 3.1Å; P259-H262 PolarHBondContact O-N 3.1Å; H262-L265 PolarHBondContact O-N 3.49Å; H262-G266 PolarHBondContact O-N 3.45Å
263L98.6Very high94Very high2 Ų217.1 Ų17.11%0.0110%0.099CC..Hα-helixtrans-59.3-53170.6-174.277.7000110.7L210 L211 R214 P243 V245 P259 L260 S261 L265 G266 L267L210-L263 HydrophobicContact CG-CD2 4.23Å; L211-L263 HydrophobicContact CB-CD1 4.16Å; L211-L263 HydrophobicContact CD1-CD1 4.26Å; L211-L263 HydrophobicContact CD1-CD2 4.09Å; L211-L263 HydrophobicContact CD1-CG 4.37Å; R214-L263 HydrophobicContact CB-CD2 4.4Å; P243-L263 HydrophobicContact CB-CD1 4.21Å; P243-L263 WeakPolarHBondContact CB-O 3.35Å; P243-L263 HydrophobicContact CG-CD1 3.85Å; P243-L263 HydrophobicContact CG-CG 4.41Å; P243-L263 WeakPolarHBondContact CG-O 3.41Å; V245-L263 HydrophobicContact CG2-CB 4Å; V245-L263 HydrophobicContact CG2-CD1 4.15Å; P259-L263 PolarHBondContact O-N 3.17Å; L260-L263 HydrophobicContact CD2-CD2 4.02Å; L260-L263 WeakPolarHBondContact O-CB 3.42Å; L260-L263 PolarHBondContact O-N 3.2Å; S261-L263 VanDerWaalsContact C-N 3.28Å; S261-L263 PolarHBondContact O-N 3.45Å; L263-L265 VanDerWaalsContact C-N 3.31Å; L263-L265 PolarHBondContact O-N 2.8Å; L263-G266 PolarHBondContact O-N 3.4Å; L263-L267 WeakPolarHBondContact O-CG 3.44Å; L263-L267 PolarHBondContact O-N 3.07Å
264A98.7Very high94.9Very high0 Ų018.3 Ų18.30%010%0.103CC..Hα-helixtrans-63-34.1179.100000113.3V191 L260 S261 G266 L267 I268 L305 I306V191-A264 HydrophobicContact CG1-CB 3.91Å; V191-A264 HydrophobicContact CG2-CB 3.96Å; L260-A264 WeakPolarHBondContact O-CB 3.31Å; L260-A264 PolarHBondContact O-N 2.7Å; S261-A264 CarbonylContact O-C 3.59Å; S261-A264 PolarHBondContact O-N 2.91Å; A264-G266 PolarHBondContact O-N 3.48Å; A264-L267 WeakPolarHBondContact O-CB 3.3Å; A264-L267 PolarHBondContact O-N 3.47Å; A264-L267 VanDerWaalsContact O-N 3.12Å; A264-I268 PolarHBondContact O-N 3.08Å; A264-L305 HydrophobicContact CB-CB 4.15Å; A264-L305 HydrophobicContact CB-CD1 4.29Å; A264-I306 HydrophobicContact CB-CG2 3.84Å
265L98.8Very high95.4Very high23 Ų2317.2 Ų17.212%0.1210%0.095CC..Hα-helixtrans-59.4-46.1179.2-169.872.3000110.9V191 R192 S261 H262 L263 L267 I268 G269 E270V191-L265 HydrophobicContact CG1-CB 4.03Å; V191-L265 HydrophobicContact CG1-CD1 4.09Å; R192-L265 HydrophobicContact CG-CD1 4.09Å; S261-L265 VanDerWaalsContact O-CB 3.3Å; S261-L265 WeakPolarHBondContact O-CB 3.33Å; S261-L265 PolarHBondContact O-N 3.36Å; H262-L265 PolarHBondContact O-N 3.49Å; L263-L265 VanDerWaalsContact C-N 3.31Å; L263-L265 PolarHBondContact O-N 2.8Å; L265-L267 PolarHBondContact O-N 2.93Å; L265-I268 HydrophobicContact CD1-CD1 4.39Å; L265-I268 WeakPolarHBondContact O-CG1 3.47Å; L265-I268 PolarHBondContact O-N 2.98Å; L265-G269 PolarHBondContact O-N 3.23Å; L265-E270 CarbonylContact C-O 3.51Å; L265-E270 VanDerWaalsContact C-O 3.3Å; L265-E270 HydrophobicContact CD1-CB 3.62Å; L265-E270 HydrophobicContact CG-CB 3.75Å; L265-E270 PolarHBondContact O-N 3.08Å; L265-E270 VanDerWaalsContact O-O 3.04Å
266G98.4Very high95.6Very high1 Ų119.2 Ų19.21%0.0111%0.108CC..Hα-helixtrans-63.1-3917400000113.1H262 L263 A264 I268 G269 E270 M273H262-G266 PolarHBondContact O-N 3.45Å; L263-G266 PolarHBondContact O-N 3.4Å; A264-G266 PolarHBondContact O-N 3.48Å; G266-I268 VanDerWaalsContact C-N 3.3Å; G266-I268 PolarHBondContact O-N 3.34Å; G266-G269 PolarHBondContact O-N 3.28Å; G266-E270 VanDerWaalsContact CA-O 3.31Å; G266-E270 WeakPolarHBondContact CA-O 3.15Å; G266-E270 PolarHBondContact N-O 3.41Å; G266-M273 WeakPolarHBondContact O-CE 3.33Å
267L98.7Very high94.8Very high1 Ų126.2 Ų26.21%0.00514%0.138CC..Hα-helixtrans-65.3-32.3179.2-60.7173.4000112.4L211 V233 M236 P243 L263 A264 L265 G269 V295 L305L211-L267 HydrophobicContact CD1-CD1 4.28Å; L211-L267 HydrophobicContact CD1-CD2 4.45Å; V233-L267 HydrophobicContact CG1-CD1 4.14Å; V233-L267 HydrophobicContact CG1-CD2 4.46Å; V233-L267 HydrophobicContact CG2-CD1 4.07Å; M236-L267 HydrophobicContact CB-CD2 4.33Å; M236-L267 HydrophobicContact SD-CB 4.3Å; M236-L267 HydrophobicContact SD-CD2 3.49Å; M236-L267 WeakPolarHBondContact SD-CD2 3.34Å; P243-L267 HydrophobicContact CG-CD2 4.33Å; P243-L267 HydrophobicContact CG-CG 4.32Å; L263-L267 WeakPolarHBondContact O-CG 3.44Å; L263-L267 PolarHBondContact O-N 3.07Å; A264-L267 WeakPolarHBondContact O-CB 3.3Å; A264-L267 PolarHBondContact O-N 3.47Å; A264-L267 VanDerWaalsContact O-N 3.12Å; L265-L267 PolarHBondContact O-N 2.93Å; L267-G269 PolarHBondContact O-N 3.17Å; L267-V295 HydrophobicContact CB-CG2 4.37Å; L267-V295 PolarHBondContact O-N 3.39Å; L267-L305 HydrophobicContact CD1-CD2 4.27Å
268I98.7Very high93.8Very high16 Ų1626.6 Ų26.68%0.08214%0.144CC..THydrogen-bonded Turntrans-84.910172.869.6170.3000113.1V188 V191 A264 L265 G266 E270 P294 V295 L297V188-I268 HydrophobicContact CG1-CD1 4.34Å; V191-I268 HydrophobicContact CB-CD1 4.5Å; V191-I268 HydrophobicContact CG1-CD1 4.05Å; A264-I268 PolarHBondContact O-N 3.08Å; L265-I268 HydrophobicContact CD1-CD1 4.39Å; L265-I268 WeakPolarHBondContact O-CG1 3.47Å; L265-I268 PolarHBondContact O-N 2.98Å; G266-I268 VanDerWaalsContact C-N 3.3Å; G266-I268 PolarHBondContact O-N 3.34Å; I268-E270 HydrophobicContact CG1-CB 4.39Å; I268-E270 HydrophobicContact CG1-CG 4.42Å; I268-P294 WeakPolarHBondContact O-CB 3.33Å; I268-V295 HydrophobicContact CG2-CB 4.37Å; I268-L297 HydrophobicContact CG2-CD1 3.9Å; I268-L297 HydrophobicContact CG2-CD2 4.22Å; I268-L297 HydrophobicContact CG2-CG 3.86Å
269G97.7Very high93.2Very high12 Ų1227.6 Ų27.612%0.12415%0.154CC..THydrogen-bonded Turntrans80.813.7174.100000115L265 G266 L267 K284L265-G269 PolarHBondContact O-N 3.23Å; G266-G269 PolarHBondContact O-N 3.28Å; L267-G269 PolarHBondContact O-N 3.17Å; G269-K284 WeakPolarHBondContact O-CB 3.39Å; G269-K284 PolarHBondContact O-N 2.8Å
270E98.2Very high92.5Very high57 Ų5732.2 Ų32.227%0.26617%0.172SC..  trans-105.8159.3177.8-69.9179.2-149.800111.8R192 L265 G266 I268 A283R192-E270 WeakPolarHBondContact CG-OE2 3.03Å; R192-E270 IonicContact CZ-OE1 2.61Å; R192-E270 VanDerWaalsContact CZ-OE1 3.23Å; R192-E270 IonicContact CZ-OE2 3.44Å; R192-E270 IonicContact NE-OE1 3.82Å; R192-E270 PolarHBondContact NE-OE1 2.94Å; R192-E270 IonicContact NE-OE2 2.73Å; R192-E270 PolarHBondContact NE-OE2 2.65Å; R192-E270 IonicContact NH2-OE1 2.88Å; R192-E270 PolarHBondContact NH2-OE1 3.04Å; R192-E270 IonicContact NH2-OE2 2.81Å; L265-E270 CarbonylContact C-O 3.51Å; L265-E270 VanDerWaalsContact C-O 3.3Å; L265-E270 HydrophobicContact CD1-CB 3.62Å; L265-E270 HydrophobicContact CG-CB 3.75Å; L265-E270 PolarHBondContact O-N 3.08Å; L265-E270 VanDerWaalsContact O-O 3.04Å; G266-E270 VanDerWaalsContact CA-O 3.31Å; G266-E270 WeakPolarHBondContact CA-O 3.15Å; G266-E270 PolarHBondContact N-O 3.41Å; I268-E270 HydrophobicContact CG1-CB 4.39Å; I268-E270 HydrophobicContact CG1-CG 4.42Å; E270-A283 WeakPolarHBondContact O-CB 3.49Å
271G95Very high91.7Very high41 Ų4133.9 Ų33.942%0.42319%0.185SC..SBendtrans68.2-153.9-176.700000112.9D282 A283G271-D282 WeakPolarHBondContact O-CA 3.4Å; G271-A283 PolarHBondContact O-N 2.99Å
272K93.1Very high91.1Very high118 Ų11838 Ų3851%0.51321%0.207SC..EExtended strand (participates in β ladder)trans-104.8155.7-177.5-66.9-177.5-178.5-177.30111.6Y244 A281Y244-K272 VanDerWaalsContact CB-O 3.3Å; Y244-K272 WeakPolarHBondContact CB-O 3.46Å; Y244-K272 HydrophobicContact CD2-CB 4.44Å; Y244-K272 HydrophobicContact CG-CB 4.26Å; Y244-K272 PolarHBondContact N-O 2.91Å; K272-A281 CarbonylContact C-O 3.41Å; K272-A281 VanDerWaalsContact CA-O 3.31Å; K272-A281 WeakPolarHBondContact CA-O 3.42Å
273M90.1Very high90.8Very high0 Ų036.8 Ų36.80%020%0.202CC..EExtended strand (participates in β ladder)trans-145.3146.1177-173.4175.2-84.600109.4C241 L242 P243 G266 W280 A281 A283 V286 L287C241-M273 HydrophobicContact CB-CE 4.49Å; C241-M273 HydrophobicContact CB-CG 4.49Å; C241-M273 HydrophobicContact CB-SD 3.56Å; C241-M273 VanDerWaalsContact CB-SD 3.56Å; L242-M273 CarbonylContact O-C 3.55Å; L242-M273 WeakPolarHBondContact O-CA 3.39Å; L242-M273 VanDerWaalsContact O-CG 3.3Å; L242-M273 WeakPolarHBondContact O-CG 3.46Å; P243-M273 HydrophobicContact CG-CE 4.03Å; G266-M273 WeakPolarHBondContact O-CE 3.33Å; M273-W280 WeakPolarHBondContact O-CA 3.37Å; M273-A281 PolarHBondContact N-O 3.27Å; M273-A281 PolarHBondContact O-N 2.94Å; M273-A281 VanDerWaalsContact O-O 3.11Å; M273-A283 HydrophobicContact CB-CB 3.85Å; M273-A283 HydrophobicContact CE-CB 4.27Å; M273-V286 HydrophobicContact CB-CB 4.13Å; M273-V286 HydrophobicContact CB-CG1 4.28Å; M273-V286 HydrophobicContact CB-CG2 4.13Å; M273-V286 HydrophobicContact CG-CB 4.22Å; M273-V286 HydrophobicContact CG-CG1 3.87Å; M273-V286 HydrophobicContact SD-CB 4Å; M273-V286 HydrophobicContact SD-CG1 3.71Å; M273-L287 HydrophobicContact CE-CD2 4.13Å; M273-L287 HydrophobicContact CE-CG 4.35Å; M273-L287 HydrophobicContact SD-CD2 3.93Å; M273-L287 HydrophobicContact SD-CG 4.12Å
274W93.8Very high90.4Very high27 Ų2742.2 Ų42.210%0.10223%0.225CC..EExtended strand (participates in β ladder)trans-99.9144.1171.4-177.692.2000110.4Y104 P204 L242 P276 G279 W280Y104-W274 HydrophobicContact CE1-CZ2 4.09Å; P204-W274 HydrophobicContact CB-CD2 4.12Å; P204-W274 HydrophobicContact CB-CE3 3.91Å; P204-W274 HydrophobicContact CB-CH2 4.22Å; P204-W274 HydrophobicContact CB-CZ2 4.44Å; P204-W274 HydrophobicContact CB-CZ3 3.96Å; P204-W274 HydrophobicContact CG-CD2 3.76Å; P204-W274 HydrophobicContact CG-CE3 4.09Å; P204-W274 HydrophobicContact CG-CG 4.12Å; P204-W274 HydrophobicContact CG-CH2 4.42Å; P204-W274 HydrophobicContact CG-CZ2 4.14Å; P204-W274 HydrophobicContact CG-CZ3 4.4Å; L242-W274 HydrophobicContact CB-CE3 4.45Å; L242-W274 HydrophobicContact CD1-CE3 3.81Å; L242-W274 HydrophobicContact CD1-CZ3 4.01Å; L242-W274 HydrophobicContact CG-CE3 4.34Å; L242-W274 PolarHBondContact N-O 2.99Å; L242-W274 PolarHBondContact O-N 3.35Å; W274-P276 HydrophobicContact CH2-CB 4.39Å; W274-P276 HydrophobicContact CH2-CG 3.8Å; W274-P276 HydrophobicContact CZ3-CG 3.9Å; W274-G279 WeakPolarHBondContact CA-O 3.48Å; W274-W280 HydrophobicContact CB-CD2 3.8Å; W274-W280 HydrophobicContact CB-CE3 3.69Å; W274-W280 HydrophobicContact CB-CG 4.5Å; W274-W280 HydrophobicContact CB-CH2 3.9Å; W274-W280 HydrophobicContact CB-CZ2 4.03Å; W274-W280 HydrophobicContact CB-CZ3 3.71Å; W274-W280 AromaticContact CD1-CD1 3.96Å; W274-W280 AromaticContact CD1-CE2 4Å; W274-W280 AromaticContact CD1-NE1 3.87Å; W274-W280 HydrophobicContact CG-CD2 4.39Å
275S87Confident89.7Confident0 Ų048.8 Ų48.80%025%0.251CS..EExtended strand (participates in β ladder)trans-145.4161.8161.378.90000111.1S240 K277 S278 G279 H290S240-S275 WeakPolarHBondContact O-CA 3.43Å; S275-K277 PolarHBondContact O-N 3.44Å; S275-K277 PolarHBondContact OG-N 3.27Å; S275-S278 PolarHBondContact O-N 3.33Å; S275-S278 PolarHBondContact OG-N 3.08Å; S275-S278 VanDerWaalsContact OG-N 3.08Å; S275-S278 PolarHBondContact OG-OG 3.24Å; S275-G279 PolarHBondContact N-O 3.47Å; S275-G279 VanDerWaalsContact N-O 3.16Å; S275-G279 WeakPolarHBondContact O-CA 3.24Å; S275-G279 PolarHBondContact O-N 2.98Å; S275-H290 PolarHBondContact OG-CE1 3.08Å; S275-H290 VanDerWaalsContact OG-CE1 3.27Å
276P78.9Confident89Confident43 Ų4347.8 Ų47.828%0.27925%0.246SC..THydrogen-bonded Turntrans-59.8-25.6172.9-21.631.7000113.8Y107 W274Y107-P276 HydrophobicContact CD1-CB 3.51Å; Y107-P276 HydrophobicContact CD1-CG 3.72Å; Y107-P276 HydrophobicContact CD2-CB 3.93Å; Y107-P276 HydrophobicContact CD2-CG 3.46Å; Y107-P276 VanDerWaalsContact CD2-CG 3.46Å; Y107-P276 HydrophobicContact CE1-CB 3.86Å; Y107-P276 HydrophobicContact CE1-CG 3.64Å; Y107-P276 HydrophobicContact CE2-CB 4.24Å; Y107-P276 HydrophobicContact CE2-CG 3.38Å; Y107-P276 HydrophobicContact CG-CB 3.54Å; Y107-P276 HydrophobicContact CG-CG 3.63Å; Y107-P276 VanDerWaalsContact CZ-CG 3.47Å; W274-P276 HydrophobicContact CH2-CB 4.39Å; W274-P276 HydrophobicContact CH2-CG 3.8Å; W274-P276 HydrophobicContact CZ3-CG 3.9Å
277K77.9Confident88.7Confident148 Ų14847.7 Ų47.764%0.64325%0.245SC*.THydrogen-bonded Turntrans-83.2-34.9179.8-63.7-170.3-170.9174.10113.1S275 A289 H290S275-K277 PolarHBondContact O-N 3.44Å; S275-K277 PolarHBondContact OG-N 3.27Å; K277-A289 PolarHBondContact NZ-O 3.41Å; K277-H290 WeakPolarHBondContact CD-NE2 3.43Å
278S76.1Confident88.2Confident38 Ų3853.6 Ų53.627%0.26627%0.273SS..THydrogen-bonded Turntrans-110.7-17.7-168.861.20000114.3S275 V286S275-S278 PolarHBondContact O-N 3.33Å; S275-S278 PolarHBondContact OG-N 3.08Å; S275-S278 VanDerWaalsContact OG-N 3.08Å; S275-S278 PolarHBondContact OG-OG 3.24Å; S278-V286 WeakPolarHBondContact OG-CG2 3.46Å
279G83.6Confident87.6Confident26 Ų2655.6 Ų55.627%0.26829%0.291SS..EExtended strand (participates in β ladder)trans59.2-150.5-156.900000110.4W274 S275W274-G279 WeakPolarHBondContact CA-O 3.48Å; S275-G279 PolarHBondContact N-O 3.47Å; S275-G279 VanDerWaalsContact N-O 3.16Å; S275-G279 WeakPolarHBondContact O-CA 3.24Å; S275-G279 PolarHBondContact O-N 2.98Å
280W83.8Confident87.2Confident99 Ų9956.9 Ų56.938%0.37529%0.294SS..EExtended strand (participates in β ladder)trans-75.8121174.1-69.9107.8000111.4P201 Y244 M273 W274P201-W280 HydrophobicContact CB-CH2 4.24Å; P201-W280 HydrophobicContact CB-CZ2 4.12Å; P201-W280 HydrophobicContact CG-CZ2 4.34Å; Y244-W280 HydrophobicContact CD2-CE3 4.1Å; Y244-W280 HydrophobicContact CD2-CH2 4.14Å; Y244-W280 AromaticContact CD2-CZ3 3.84Å; Y244-W280 HydrophobicContact CD2-CZ3 3.84Å; Y244-W280 HydrophobicContact CG-CZ3 4.23Å; M273-W280 WeakPolarHBondContact O-CA 3.37Å; W274-W280 HydrophobicContact CB-CD2 3.8Å; W274-W280 HydrophobicContact CB-CE3 3.69Å; W274-W280 HydrophobicContact CB-CG 4.5Å; W274-W280 HydrophobicContact CB-CH2 3.9Å; W274-W280 HydrophobicContact CB-CZ2 4.03Å; W274-W280 HydrophobicContact CB-CZ3 3.71Å; W274-W280 AromaticContact CD1-CD1 3.96Å; W274-W280 AromaticContact CD1-CE2 4Å; W274-W280 AromaticContact CD1-NE1 3.87Å; W274-W280 HydrophobicContact CG-CD2 4.39Å
281A81.4Confident87Confident35 Ų3557.5 Ų57.529%0.28932%0.316SS..EExtended strand (participates in β ladder)trans-149.6179174.700000110.6K272 M273 A283 V286K272-A281 CarbonylContact C-O 3.41Å; K272-A281 VanDerWaalsContact CA-O 3.31Å; K272-A281 WeakPolarHBondContact CA-O 3.42Å; M273-A281 PolarHBondContact N-O 3.27Å; M273-A281 PolarHBondContact O-N 2.94Å; M273-A281 VanDerWaalsContact O-O 3.11Å; A281-A283 PolarHBondContact O-N 3.49Å; A281-V286 HydrophobicContact CB-CG2 3.82Å
282D86.9Confident87.1Confident86 Ų8656.9 Ų56.946%0.4630%0.302SS..EExtended strand (participates in β ladder)trans-65.1134.6176.6-62.6-25000111G271 K284 Y285 V286G271-D282 WeakPolarHBondContact O-CA 3.4Å; D282-K284 VanDerWaalsContact C-N 3.29Å; D282-K284 PolarHBondContact O-N 3.33Å; D282-Y285 HydrophobicContact CB-CD2 3.88Å; D282-Y285 HydrophobicContact CB-CE2 4.37Å; D282-Y285 PolarHBondContact O-N 3.07Å; D282-V286 PolarHBondContact O-N 2.99Å; D282-V286 VanDerWaalsContact O-N 3.16Å
283A91.3Very high87.3Confident0 Ų059.2 Ų59.20%031%0.313CS..Hα-helixtrans-55.5-42-17000000113E270 G271 M273 A281 Y285 V286 L287E270-A283 WeakPolarHBondContact O-CB 3.49Å; G271-A283 PolarHBondContact O-N 2.99Å; M273-A283 HydrophobicContact CB-CB 3.85Å; M273-A283 HydrophobicContact CE-CB 4.27Å; A281-A283 PolarHBondContact O-N 3.49Å; A283-Y285 VanDerWaalsContact C-N 3.34Å; A283-Y285 PolarHBondContact O-N 3.39Å; A283-V286 PolarHBondContact O-N 3.45Å; A283-L287 WeakPolarHBondContact O-CG 3.39Å; A283-L287 PolarHBondContact O-N 3.44Å
284K91.3Very high87.7Confident116 Ų11661.7 Ų61.750%0.50433%0.329SS..Hα-helixtrans-52-49175.7-178.9-177.1173.3-172.70112.9G269 D282 L287 E288G269-K284 WeakPolarHBondContact O-CB 3.39Å; G269-K284 PolarHBondContact O-N 2.8Å; D282-K284 VanDerWaalsContact C-N 3.29Å; D282-K284 PolarHBondContact O-N 3.33Å; K284-L287 PolarHBondContact O-N 3.04Å; K284-E288 WeakPolarHBondContact O-CB 3.39Å; K284-E288 PolarHBondContact O-N 3.3Å
285Y83.9Confident87.9Confident138 Ų13860.7 Ų60.754%0.54133%0.326SS..Hα-helixtrans-74.6-32.1-176.8-61.1-55.8000112.1D282 A283 E288 A289D282-Y285 HydrophobicContact CB-CD2 3.88Å; D282-Y285 HydrophobicContact CB-CE2 4.37Å; D282-Y285 PolarHBondContact O-N 3.07Å; A283-Y285 VanDerWaalsContact C-N 3.34Å; A283-Y285 PolarHBondContact O-N 3.39Å; Y285-E288 PolarHBondContact O-N 3.29Å; Y285-A289 WeakPolarHBondContact O-CB 3.13Å; Y285-A289 PolarHBondContact O-N 3Å
286V83.7Confident88.5Confident1 Ų166.3 Ų66.31%0.00635%0.354CS..Hα-helixtrans-63.5-45.2173.7178.20000111M273 S278 A281 D282 A283 A289 H290M273-V286 HydrophobicContact CB-CB 4.13Å; M273-V286 HydrophobicContact CB-CG1 4.28Å; M273-V286 HydrophobicContact CB-CG2 4.13Å; M273-V286 HydrophobicContact CG-CB 4.22Å; M273-V286 HydrophobicContact CG-CG1 3.87Å; M273-V286 HydrophobicContact SD-CB 4Å; M273-V286 HydrophobicContact SD-CG1 3.71Å; S278-V286 WeakPolarHBondContact OG-CG2 3.46Å; A281-V286 HydrophobicContact CB-CG2 3.82Å; D282-V286 PolarHBondContact O-N 2.99Å; D282-V286 VanDerWaalsContact O-N 3.16Å; A283-V286 PolarHBondContact O-N 3.45Å; V286-A289 PolarHBondContact O-N 3.45Å; V286-H290 PolarHBondContact O-N 3.14Å; V286-H290 PolarHBondContact O-ND1 3.01Å
287L91.3Very high89.3Confident0 Ų064.3 Ų64.30%034%0.342CS..Hα-helixtrans-62.3-46.8176.2-67.9176.4000111.3M236 C241 M273 A283 K284 A289 H290 G291 L292 P294M236-L287 HydrophobicContact CE-CD1 3.95Å; M236-L287 HydrophobicContact CE-CD2 3.77Å; M236-L287 HydrophobicContact CG-CD2 3.76Å; M236-L287 HydrophobicContact SD-CD2 3.79Å; C241-L287 HydrophobicContact CB-CD2 4.25Å; M273-L287 HydrophobicContact CE-CD2 4.13Å; M273-L287 HydrophobicContact CE-CG 4.35Å; M273-L287 HydrophobicContact SD-CD2 3.93Å; M273-L287 HydrophobicContact SD-CG 4.12Å; A283-L287 WeakPolarHBondContact O-CG 3.39Å; A283-L287 PolarHBondContact O-N 3.44Å; K284-L287 PolarHBondContact O-N 3.04Å; L287-A289 VanDerWaalsContact C-N 3.34Å; L287-A289 PolarHBondContact O-N 2.58Å; L287-H290 CarbonylContact O-C 3.59Å; L287-H290 WeakPolarHBondContact O-CA 3.2Å; L287-H290 PolarHBondContact O-N 3.19Å; L287-G291 PolarHBondContact O-N 3.09Å; L287-L292 CarbonylContact C-O 3.58Å; L287-L292 HydrophobicContact CB-CB 4.3Å; L287-L292 HydrophobicContact CD2-CB 4.13Å; L287-L292 HydrophobicContact CD2-CD1 4.34Å; L287-L292 PolarHBondContact O-N 2.95Å; L287-P294 HydrophobicContact CD1-CB 4.43Å; L287-P294 HydrophobicContact CD1-CG 4.18Å
288E89.6Confident90.2Very high125 Ų12560.4 Ų60.458%0.58432%0.324SS*.Hα-helixtrans-58.7-42.7177.5-175.9172.5-16700112.2K284 Y285 H290 G291K284-E288 WeakPolarHBondContact O-CB 3.39Å; K284-E288 PolarHBondContact O-N 3.3Å; Y285-E288 PolarHBondContact O-N 3.29Å; E288-H290 PolarHBondContact O-N 3.39Å; E288-H290 VanDerWaalsContact O-N 3.12Å; E288-G291 PolarHBondContact O-N 3.45Å
289A84.8Confident91Very high57 Ų5759.6 Ų59.647%0.47132%0.319SS..Hα-helixtrans-64.1-14.9176.300000114.2K277 Y285 V286 L287K277-A289 PolarHBondContact NZ-O 3.41Å; Y285-A289 WeakPolarHBondContact O-CB 3.13Å; Y285-A289 PolarHBondContact O-N 3Å; V286-A289 PolarHBondContact O-N 3.45Å; L287-A289 VanDerWaalsContact C-N 3.34Å; L287-A289 PolarHBondContact O-N 2.58Å
290H90.3Very high91.5Very high39 Ų3958.4 Ų58.418%0.18131%0.306CS..THydrogen-bonded Turntrans-105.15.2173.7-67.878.1000112.9A239 C241 S275 K277 V286 L287 E288 L292A239-H290 HydrophobicContact CB-CB 4.42Å; C241-H290 VanDerWaalsContact SG-CG 3.59Å; S275-H290 PolarHBondContact OG-CE1 3.08Å; S275-H290 VanDerWaalsContact OG-CE1 3.27Å; K277-H290 WeakPolarHBondContact CD-NE2 3.43Å; V286-H290 PolarHBondContact O-N 3.14Å; V286-H290 PolarHBondContact O-ND1 3.01Å; L287-H290 CarbonylContact O-C 3.59Å; L287-H290 WeakPolarHBondContact O-CA 3.2Å; L287-H290 PolarHBondContact O-N 3.19Å; E288-H290 PolarHBondContact O-N 3.39Å; E288-H290 VanDerWaalsContact O-N 3.12Å; H290-L292 HydrophobicContact CB-CD1 4.05Å; H290-L292 HydrophobicContact CB-CG 4.05Å; H290-L292 PolarHBondContact O-N 3.38Å
291G93.6Very high92.2Very high70 Ų7053.7 Ų53.772%0.72229%0.288SS*.THydrogen-bonded Turntrans68.417.4-175.800000113.4L287 E288L287-G291 PolarHBondContact O-N 3.09Å; E288-G291 PolarHBondContact O-N 3.45Å
292L97.3Very high92.9Very high28 Ų2852 Ų5215%0.14727%0.274CS..  trans-96.9156.6180-59.9176.7000110.3E235 M236 A239 L287 H290E235-L292 HydrophobicContact CB-CD2 3.99Å; M236-L292 HydrophobicContact CB-CD1 4.38Å; M236-L292 HydrophobicContact CG-CD1 3.9Å; A239-L292 HydrophobicContact CB-CD1 3.83Å; L287-L292 CarbonylContact C-O 3.58Å; L287-L292 HydrophobicContact CB-CB 4.3Å; L287-L292 HydrophobicContact CD2-CB 4.13Å; L287-L292 HydrophobicContact CD2-CD1 4.34Å; L287-L292 PolarHBondContact O-N 2.95Å; H290-L292 HydrophobicContact CB-CD1 4.05Å; H290-L292 HydrophobicContact CB-CG 4.05Å; H290-L292 PolarHBondContact O-N 3.38Å
293K97.7Very high93.3Very high167 Ų16748.2 Ų48.273%0.72625%0.254SS*.  trans-113.2147.6177.7-65.3-179.1-177.5176.90110.4M236M236-K293 WeakPolarHBondContact CE-O 3.42Å
294P98.2Very high93.5Very high52 Ų5248.2 Ų48.234%0.33825%0.254SS..  trans-54.6141.4169.7-2736000112.7I268 L287I268-P294 WeakPolarHBondContact O-CB 3.33Å; L287-P294 HydrophobicContact CD1-CB 4.43Å; L287-P294 HydrophobicContact CD1-CG 4.18Å
295V98.3Very high93.8Very high7 Ų742.8 Ų42.84%0.04223%0.23CC..  trans-66.6133.6175.5172.20000110.4T229 Q232 V233 M236 L267 I268 L297T229-V295 HydrophobicContact CG2-CG1 3.65Å; Q232-V295 HydrophobicContact CB-CG2 4.26Å; V233-V295 HydrophobicContact CG2-CG2 4.29Å; M236-V295 HydrophobicContact CE-CG2 3.81Å; M236-V295 HydrophobicContact SD-CG2 4.39Å; L267-V295 HydrophobicContact CB-CG2 4.37Å; L267-V295 PolarHBondContact O-N 3.39Å; I268-V295 HydrophobicContact CG2-CB 4.37Å; V295-L297 HydrophobicContact CG1-CD2 3.88Å
296I97.9Very high94.4Very high117 Ų11736.2 Ų36.260%0.621%0.205SC*.  trans-102.4104.5172.7-57-179.8000108.5K298I296-K298 PolarHBondContact O-N 3.09Å
297L97.5Very high94.9Very high2 Ų236.3 Ų36.31%0.0121%0.205CC..PPolyproline II helixtrans-68128.2-173.5-61.8174.4000112.6Q184 Q187 V188 V191 I268 V295 E301 L305Q184-L297 WeakPolarHBondContact CG-O 3.4Å; Q187-L297 HydrophobicContact CB-CB 3.9Å; Q187-L297 HydrophobicContact CB-CD1 3.93Å; Q187-L297 HydrophobicContact CG-CB 4.46Å; V188-L297 HydrophobicContact CG2-CD1 4.45Å; V191-L297 HydrophobicContact CG2-CD1 3.99Å; I268-L297 HydrophobicContact CG2-CD1 3.9Å; I268-L297 HydrophobicContact CG2-CD2 4.22Å; I268-L297 HydrophobicContact CG2-CG 3.86Å; V295-L297 HydrophobicContact CG1-CD2 3.88Å; L297-E301 HydrophobicContact CD2-CB 4.09Å; L297-L305 HydrophobicContact CD2-CD1 3.66Å
298K95.8Very high95.1Very high65 Ų6536.3 Ų36.328%0.28321%0.205SC..PPolyproline II helixtrans-88.8168168.5-58.2174-173.9165.20110.5Q187 S226 E228 I296 K300 E301Q187-K298 WeakPolarHBondContact CG-O 3.43Å; S226-K298 PolarHBondContact OG-NZ 3.25Å; E228-K298 IonicContact OE2-NZ 3.52Å; E228-K298 PolarHBondContact OE2-NZ 3.15Å; I296-K298 PolarHBondContact O-N 3.09Å; K298-K300 PolarHBondContact O-N 3.21Å; K298-E301 HydrophobicContact CB-CG 3.95Å; K298-E301 WeakPolarHBondContact CB-OE2 3.49Å; K298-E301 PolarHBondContact N-OE2 3.2Å; K298-E301 VanDerWaalsContact O-CB 3.31Å; K298-E301 WeakPolarHBondContact O-CB 3.46Å; K298-E301 WeakPolarHBondContact O-CG 3.17Å; K298-E301 PolarHBondContact O-N 3.45Å
299P93.4Very high95.4Very high22 Ų2230.5 Ų30.514%0.14318%0.178CC..THydrogen-bonded Turntrans-52.9139.5178.1-2837.3000112.2R150 I157 L183 E301R150-P299 PolarHBondContact NH1-O 2.89Å; I157-P299 HydrophobicContact CD1-CB 3.66Å; I157-P299 HydrophobicContact CD1-CG 3.78Å; I157-P299 HydrophobicContact CG1-CB 4.49Å; L183-P299 HydrophobicContact CB-CB 4.15Å; L183-P299 HydrophobicContact CB-CG 3.75Å; L183-P299 HydrophobicContact CD1-CB 4.21Å; L183-P299 HydrophobicContact CD1-CG 4.03Å; P299-E301 PolarHBondContact O-N 3.49Å
300K94.6Very high96Very high0 Ų027.8 Ų27.80%016%0.156CC..THydrogen-bonded Turntrans70.1-18.6-170.4-157.3-173.8-174.6-62.10116.4I153 I166 Q187 S223 K298 G302 L303 A304 D427 P429 V431I153-K300 HydrophobicContact CD1-CD 3.84Å; I153-K300 HydrophobicContact CG1-CD 4.13Å; I153-K300 HydrophobicContact CG2-CB 4.4Å; I166-K300 HydrophobicContact CD1-CD 3.94Å; I166-K300 HydrophobicContact CG1-CB 4.14Å; I166-K300 HydrophobicContact CG1-CD 4.02Å; I166-K300 HydrophobicContact CG1-CG 4.06Å; Q187-K300 VanDerWaalsContact OE1-C 3.26Å; S223-K300 WeakPolarHBondContact O-CD 3.15Å; S223-K300 WeakPolarHBondContact O-CE 3.47Å; S223-K300 PolarHBondContact O-NZ 2.98Å; K298-K300 PolarHBondContact O-N 3.21Å; K300-G302 VanDerWaalsContact C-N 3.3Å; K300-G302 PolarHBondContact O-N 2.98Å; K300-L303 PolarHBondContact O-N 2.79Å; K300-A304 PolarHBondContact O-N 3.25Å; K300-D427 IonicContact NZ-OD1 2.73Å; K300-D427 IonicContact NZ-OD2 3.59Å; K300-P429 VanDerWaalsContact CE-O 3.26Å; K300-P429 WeakPolarHBondContact CE-O 3.38Å; K300-P429 PolarHBondContact NZ-O 3.13Å; K300-V431 HydrophobicContact CD-CG2 4.4Å
301E97.2Very high96.4Very high0 Ų026 Ų260%015%0.148CC..THydrogen-bonded Turntrans-68.7-27.1-170.3-62.6-166.9147.200114I225 S226 T229 L297 K298 P299 A304 L305I225-E301 HydrophobicContact CG1-CB 4.48Å; I225-E301 HydrophobicContact CG1-CG 4.04Å; S226-E301 WeakPolarHBondContact CA-OE1 3.31Å; S226-E301 WeakPolarHBondContact CB-OE1 3.42Å; S226-E301 PolarHBondContact N-OE1 3.16Å; S226-E301 PolarHBondContact OG-OE1 3.21Å; T229-E301 WeakPolarHBondContact CB-OE1 3.33Å; T229-E301 VanDerWaalsContact OG1-CD 3.27Å; T229-E301 PolarHBondContact OG1-OE1 3.35Å; T229-E301 VanDerWaalsContact OG1-OE1 3.07Å; T229-E301 PolarHBondContact OG1-OE2 3.14Å; L297-E301 HydrophobicContact CD2-CB 4.09Å; K298-E301 HydrophobicContact CB-CG 3.95Å; K298-E301 WeakPolarHBondContact CB-OE2 3.49Å; K298-E301 PolarHBondContact N-OE2 3.2Å; K298-E301 VanDerWaalsContact O-CB 3.31Å; K298-E301 WeakPolarHBondContact O-CB 3.46Å; K298-E301 WeakPolarHBondContact O-CG 3.17Å; K298-E301 PolarHBondContact O-N 3.45Å; P299-E301 PolarHBondContact O-N 3.49Å; E301-A304 CarbonylContact O-C 3.46Å; E301-A304 VanDerWaalsContact O-C 3.32Å; E301-A304 VanDerWaalsContact O-O 3.07Å; E301-L305 WeakPolarHBondContact O-CD1 3.36Å; E301-L305 VanDerWaalsContact O-CG 3.31Å; E301-L305 WeakPolarHBondContact O-CG 3.05Å
302G96.6Very high96.6Very high0 Ų022.7 Ų22.70%011%0.113CC..THydrogen-bonded Turntrans-74.4-25.5172.900000113.4Q187 K300 A304 I306Q187-G302 VanDerWaalsContact OE1-N 3.11Å; K300-G302 VanDerWaalsContact C-N 3.3Å; K300-G302 PolarHBondContact O-N 2.98Å; G302-A304 CarbonylContact C-O 3.55Å; G302-I306 VanDerWaalsContact O-CG1 3.3Å; G302-I306 WeakPolarHBondContact O-CG1 3.19Å; G302-I306 WeakPolarHBondContact O-CG2 3.4Å
303L94.8Very high96.7Very high6 Ų621.4 Ų21.43%0.03111%0.107CC..Hα-helixtrans-87-39.4176.1-178.564.6000113Y164 F170 L190 K300 N307 N428Y164-L303 HydrophobicContact CE1-CD2 4.18Å; F170-L303 HydrophobicContact CD1-CD1 4.2Å; F170-L303 HydrophobicContact CD1-CD2 4.14Å; F170-L303 HydrophobicContact CE1-CB 4.04Å; F170-L303 HydrophobicContact CE1-CD1 4.26Å; F170-L303 HydrophobicContact CE1-CD2 3.91Å; F170-L303 HydrophobicContact CE1-CG 4.3Å; L190-L303 HydrophobicContact CD2-CB 4.01Å; L190-L303 HydrophobicContact CD2-CD1 4.2Å; K300-L303 PolarHBondContact O-N 2.79Å; L303-N307 HydrophobicContact CD1-CB 4.01Å; L303-N307 HydrophobicContact CG-CB 4.42Å; L303-N307 WeakPolarHBondContact O-CB 3.42Å; L303-N307 PolarHBondContact O-N 3.03Å; L303-N428 VanDerWaalsContact CD2-O 3.28Å; L303-N428 WeakPolarHBondContact CD2-O 3.41Å
304A95.9Very high96.7Very high0 Ų013.5 Ų13.50%07%0.072CC..Hα-helixtrans-55-178.7146.300000107.4L218 K300 E301 G302 I306 D427L218-A304 HydrophobicContact CD2-CB 4Å; K300-A304 PolarHBondContact O-N 3.25Å; E301-A304 CarbonylContact O-C 3.46Å; E301-A304 VanDerWaalsContact O-C 3.32Å; E301-A304 VanDerWaalsContact O-O 3.07Å; G302-A304 CarbonylContact C-O 3.55Å; A304-I306 PolarHBondContact O-N 2.88Å; A304-D427 WeakPolarHBondContact CA-OD2 3.31Å
305L97.4Very high96.7Very high3 Ų311.2 Ų11.22%0.0166%0.057CC..Hα-helixtrans58.7-54-167.2-54.9174.1000116.4R214 L218 I225 V233 A264 L267 L297 E301R214-L305 WeakPolarHBondContact CD-O 3.33Å; R214-L305 VanDerWaalsContact CZ-N 3.34Å; R214-L305 VanDerWaalsContact NE-CA 3.31Å; R214-L305 PolarHBondContact NE-O 3.5Å; L218-L305 HydrophobicContact CD1-CD2 4.05Å; I225-L305 HydrophobicContact CD1-CD2 4.36Å; V233-L305 HydrophobicContact CG2-CD2 4.43Å; A264-L305 HydrophobicContact CB-CB 4.15Å; A264-L305 HydrophobicContact CB-CD1 4.29Å; L267-L305 HydrophobicContact CD1-CD2 4.27Å; L297-L305 HydrophobicContact CD2-CD1 3.66Å; E301-L305 WeakPolarHBondContact O-CD1 3.36Å; E301-L305 VanDerWaalsContact O-CG 3.31Å; E301-L305 WeakPolarHBondContact O-CG 3.05Å
306I96.5Very high96.8Very high0 Ų010.9 Ų10.90%06%0.055CC..Hα-helixtrans-100.1-22-171.281.6176.1000115.7L190 V191 L257 L260 A264 G302 A304L190-I306 HydrophobicContact CD1-CD1 4.09Å; L190-I306 HydrophobicContact CD2-CD1 3.54Å; L190-I306 HydrophobicContact CD2-CG1 4.4Å; L190-I306 HydrophobicContact CG-CD1 3.6Å; V191-I306 HydrophobicContact CG2-CG2 4.35Å; L257-I306 HydrophobicContact CD2-CD1 4.03Å; L257-I306 HydrophobicContact CD2-CG1 3.91Å; L260-I306 HydrophobicContact CB-CB 4.22Å; L260-I306 VanDerWaalsContact CD1-O 3.22Å; L260-I306 WeakPolarHBondContact CD1-O 3.29Å; A264-I306 HydrophobicContact CB-CG2 3.84Å; G302-I306 VanDerWaalsContact O-CG1 3.3Å; G302-I306 WeakPolarHBondContact O-CG1 3.19Å; G302-I306 WeakPolarHBondContact O-CG2 3.4Å; A304-I306 PolarHBondContact O-N 2.88Å
307N94.6Very high96.8Very high3 Ų35.3 Ų5.32%0.0163%0.026CC..SBendtrans-96.9108-174.1-166.5-6.6000112.1R214 S254 L303 N428 F444R214-N307 PolarHBondContact NH1-O 2.86Å; S254-N307 PolarHBondContact O-OD1 3.05Å; L303-N307 HydrophobicContact CD1-CB 4.01Å; L303-N307 HydrophobicContact CG-CB 4.42Å; L303-N307 WeakPolarHBondContact O-CB 3.42Å; L303-N307 PolarHBondContact O-N 3.03Å; N307-N428 PolarHBondContact ND2-N 3.14Å; N307-N428 PolarHBondContact ND2-O 2.87Å; N307-N428 VanDerWaalsContact ND2-O 3.15Å; N307-F444 WeakPolarHBondContact OD1-CB 3.49Å; N307-F444 WeakPolarHBondContact OD1-CD1 3.35Å
308G95.4Very high96.9Very high0 Ų06.4 Ų6.40%03%0.031CC..SBendtrans156179.6173.500000113.9G255 D256 L260 Q310 T426G255-G308 CarbonylContact C-O 3.52Å; G255-G308 WeakPolarHBondContact CA-O 3.28Å; D256-G308 PolarHBondContact N-O 3.08Å; L260-G308 WeakPolarHBondContact CD1-O 3.45Å; G308-Q310 VanDerWaalsContact CA-OE1 3.32Å; G308-Q310 PolarHBondContact O-N 3.31Å; G308-Q310 PolarHBondContact O-OE1 3.29Å; G308-T426 WeakPolarHBondContact CA-O 3.49Å
309T96.8Very high97Very high2 Ų23.3 Ų3.31%0.0122%0.018CC..SBendtrans-96.223.4-168.157.40000114.3D256 M311 I312 T313 E421 F444D256-T309 VanDerWaalsContact OD2-CA 3.27Å; D256-T309 WeakPolarHBondContact OD2-CA 3.47Å; T309-M311 PolarHBondContact O-N 3.01Å; T309-I312 PolarHBondContact O-N 3.44Å; T309-T313 WeakPolarHBondContact O-CB 3.38Å; T309-T313 PolarHBondContact O-N 2.98Å; T309-T313 PolarHBondContact O-OG1 3.15Å; T309-E421 WeakPolarHBondContact CB-OE1 3.5Å; T309-E421 WeakPolarHBondContact CG2-OE1 3.42Å; T309-E421 PolarHBondContact OG1-OE1 2.73Å; T309-F444 VanDerWaalsContact CG2-O 3.22Å; T309-F444 WeakPolarHBondContact CG2-O 3.4Å
310Q97.3Very high97.2Very high1 Ų12.2 Ų2.21%0.0051%0.011CC..Hα-helixtrans-71.3-25-166.3-63.783.21200114.3L210 L213 V217 D256 L260 G308 S314 T426L210-Q310 VanDerWaalsContact CD1-C 3.42Å; L210-Q310 HydrophobicContact CD1-CB 3.76Å; L210-Q310 WeakPolarHBondContact CD1-O 3.26Å; L213-Q310 HydrophobicContact CB-CB 4.43Å; L213-Q310 HydrophobicContact CB-CG 4.42Å; L213-Q310 HydrophobicContact CD2-CB 4Å; L213-Q310 HydrophobicContact CD2-CG 4.14Å; L213-Q310 HydrophobicContact CG-CB 4.01Å; L213-Q310 HydrophobicContact CG-CG 3.75Å; V217-Q310 HydrophobicContact CG2-CG 4.26Å; D256-Q310 PolarHBondContact OD2-N 3.36Å; L260-Q310 HydrophobicContact CD2-CB 4.27Å; G308-Q310 VanDerWaalsContact CA-OE1 3.32Å; G308-Q310 PolarHBondContact O-N 3.31Å; G308-Q310 PolarHBondContact O-OE1 3.29Å; Q310-S314 WeakPolarHBondContact O-CB 3.4Å; Q310-S314 PolarHBondContact O-N 3.19Å; Q310-S314 PolarHBondContact O-OG 2.94Å; Q310-T426 PolarHBondContact NE2-OG1 3.27Å; Q310-T426 VanDerWaalsContact NE2-OG1 3.08Å
311M97.5Very high97.4Very high2 Ų24.3 Ų4.31%0.012%0.021CC..Hα-helixtrans-70.3-46.5174.6178.463-179.200110.3L202 L210 D256 P259 T309 S314 L315L202-M311 HydrophobicContact CD1-CE 4.02Å; L202-M311 HydrophobicContact CD1-SD 3.71Å; L202-M311 HydrophobicContact CD2-CE 3.54Å; L202-M311 HydrophobicContact CD2-SD 4.33Å; L202-M311 HydrophobicContact CG-CE 4.25Å; L210-M311 HydrophobicContact CD1-CB 4.17Å; L210-M311 HydrophobicContact CD2-SD 4.34Å; D256-M311 HydrophobicContact CB-CB 3.65Å; D256-M311 VanDerWaalsContact CG-CB 3.47Å; D256-M311 WeakPolarHBondContact OD2-CA 3.5Å; D256-M311 VanDerWaalsContact OD2-CB 3.26Å; D256-M311 WeakPolarHBondContact OD2-CB 3.46Å; D256-M311 PolarHBondContact OD2-N 3.23Å; P259-M311 HydrophobicContact CB-CG 4.31Å; P259-M311 HydrophobicContact CB-SD 4.5Å; P259-M311 HydrophobicContact CG-CB 4.03Å; P259-M311 HydrophobicContact CG-CG 4.01Å; T309-M311 PolarHBondContact O-N 3.01Å; M311-S314 PolarHBondContact O-OG 3.39Å; M311-L315 HydrophobicContact CE-CD1 3.58Å; M311-L315 HydrophobicContact CE-CG 4.15Å; M311-L315 WeakPolarHBondContact O-CG 3.23Å; M311-L315 PolarHBondContact O-N 2.68Å; M311-L315 HydrophobicContact SD-CD1 4.35Å; M311-L315 HydrophobicContact SD-CG 4.36Å
312I98.4Very high97.5Very high0 Ų06.6 Ų6.60%03%0.029CC..Hα-helixtrans-60.5-50.2177.2-53.6166.9000109.7D256 T309 G316 P449 L453 A539D256-I312 WeakPolarHBondContact OD1-CD1 3.48Å; D256-I312 WeakPolarHBondContact OD1-CG1 3.38Å; D256-I312 PolarHBondContact OD2-N 3.21Å; D256-I312 VanDerWaalsContact OD2-N 3.11Å; T309-I312 PolarHBondContact O-N 3.44Å; I312-G316 PolarHBondContact O-N 3.32Å; I312-P449 HydrophobicContact CG2-CB 3.74Å; I312-P449 HydrophobicContact CG2-CG 4.02Å; I312-L453 HydrophobicContact CG2-CD1 3.76Å; I312-A539 HydrophobicContact CG2-CB 4.41Å
313T98.5Very high97.6Very high1 Ų16.6 Ų6.61%0.0063%0.029CC..Hα-helixtrans-69.7-41.2-173.8-58.80000112.2L213 T309 G316 C317 I418 E421 L422L213-T313 HydrophobicContact CD2-CG2 3.67Å; T309-T313 WeakPolarHBondContact O-CB 3.38Å; T309-T313 PolarHBondContact O-N 2.98Å; T309-T313 PolarHBondContact O-OG1 3.15Å; T313-G316 CarbonylContact O-C 3.14Å; T313-G316 WeakPolarHBondContact O-CA 3.4Å; T313-G316 PolarHBondContact O-N 3.09Å; T313-G316 VanDerWaalsContact O-N 3.17Å; T313-C317 PolarHBondContact O-N 3.31Å; T313-C317 PolarHBondContact O-SG 3.45Å; T313-I418 HydrophobicContact CG2-CG2 4.22Å; T313-E421 HydrophobicContact CG2-CB 4.25Å; T313-E421 HydrophobicContact CG2-CG 4.09Å; T313-E421 WeakPolarHBondContact OG1-CG 3.41Å; T313-L422 HydrophobicContact CG2-CB 4.21Å; T313-L422 HydrophobicContact CG2-CD1 4.39Å
314S98.4Very high97.8Very high1 Ų17.5 Ų7.51%0.0074%0.037CC..Hα-helixtrans-63.5-46.5178.558.30000112.3M209 Q310 M311 G316 C317 E318M209-S314 WeakPolarHBondContact CE-O 3.31Å; Q310-S314 WeakPolarHBondContact O-CB 3.4Å; Q310-S314 PolarHBondContact O-N 3.19Å; Q310-S314 PolarHBondContact O-OG 2.94Å; M311-S314 PolarHBondContact O-OG 3.39Å; S314-G316 VanDerWaalsContact C-N 3.28Å; S314-G316 PolarHBondContact O-N 3.26Å; S314-C317 PolarHBondContact O-N 2.92Å; S314-E318 PolarHBondContact O-N 3.37Å
315L98.7Very high97.9Very high3 Ų38 Ų82%0.0164%0.041CC..Hα-helixtrans-63.5-36.1172.8-67.1-169.8000112R206 M311 E318 A319 A539 R540 L543R206-L315 HydrophobicContact CB-CD2 4.43Å; R206-L315 HydrophobicContact CG-CD2 4.03Å; M311-L315 HydrophobicContact CE-CD1 3.58Å; M311-L315 HydrophobicContact CE-CG 4.15Å; M311-L315 WeakPolarHBondContact O-CG 3.23Å; M311-L315 PolarHBondContact O-N 2.68Å; M311-L315 HydrophobicContact SD-CD1 4.35Å; M311-L315 HydrophobicContact SD-CG 4.36Å; L315-E318 PolarHBondContact O-N 2.99Å; L315-A319 WeakPolarHBondContact O-CB 3.41Å; L315-A319 PolarHBondContact O-N 3.05Å; L315-A539 HydrophobicContact CB-CB 3.77Å; L315-A539 HydrophobicContact CD1-CB 4.07Å; L315-R540 HydrophobicContact CD1-CG 3.87Å; L315-L543 HydrophobicContact CB-CD1 3.92Å; L315-L543 HydrophobicContact CD1-CD1 4.34Å; L315-L543 HydrophobicContact CD2-CD1 3.96Å; L315-L543 HydrophobicContact CG-CD1 4.29Å
316G98.7Very high98Very high0 Ų08 Ų80%04%0.04CC..Hα-helixtrans-62.7-38.4174.900000113.4I312 T313 S314 A319 I320I312-G316 PolarHBondContact O-N 3.32Å; T313-G316 CarbonylContact O-C 3.14Å; T313-G316 WeakPolarHBondContact O-CA 3.4Å; T313-G316 PolarHBondContact O-N 3.09Å; T313-G316 VanDerWaalsContact O-N 3.17Å; S314-G316 VanDerWaalsContact C-N 3.28Å; S314-G316 PolarHBondContact O-N 3.26Å; G316-A319 PolarHBondContact O-N 3.29Å; G316-I320 WeakPolarHBondContact O-CD1 3.45Å; G316-I320 WeakPolarHBondContact O-CG1 3.48Å; G316-I320 PolarHBondContact O-N 2.85Å
317C98.8Very high98.1Very high0 Ų08.1 Ų8.10%04%0.041CC..Hα-helixtrans-62.5-45.3173.4-60.90000111.8T123 L126 M209 T313 S314 A319 I320 E321T123-C317 HydrophobicContact CG2-CB 4.09Å; L126-C317 HydrophobicContact CD2-CB 3.9Å; M209-C317 HydrophobicContact CE-CB 4.23Å; T313-C317 PolarHBondContact O-N 3.31Å; T313-C317 PolarHBondContact O-SG 3.45Å; S314-C317 PolarHBondContact O-N 2.92Å; C317-A319 VanDerWaalsContact C-N 3.31Å; C317-A319 PolarHBondContact O-N 2.76Å; C317-I320 PolarHBondContact O-N 2.96Å; C317-E321 WeakPolarHBondContact O-CG 3.35Å; C317-E321 PolarHBondContact O-N 3.31Å; C317-E321 VanDerWaalsContact O-N 3.11Å
318E98.8Very high98.3Very high25 Ų2511.4 Ų11.412%0.1175%0.054CC..Hα-helixtrans-58.5-45.8174-174.6-168.5146.900110.8R206 M209 S314 L315 I320 E321 R322 L543R206-E318 WeakPolarHBondContact CG-OE2 3.37Å; R206-E318 IonicContact CZ-OE1 2.68Å; R206-E318 IonicContact CZ-OE2 3.3Å; R206-E318 IonicContact NE-OE1 3.6Å; R206-E318 IonicContact NE-OE2 3.38Å; R206-E318 PolarHBondContact NE-OE2 3.4Å; R206-E318 IonicContact NH2-OE1 3.89Å; R206-E318 PolarHBondContact NH2-OE1 3.23Å; R206-E318 IonicContact NH2-OE2 3.97Å; R206-E318 PolarHBondContact NH2-OE2 2.95Å; M209-E318 HydrophobicContact CE-CB 4.06Å; S314-E318 PolarHBondContact O-N 3.37Å; L315-E318 PolarHBondContact O-N 2.99Å; E318-I320 PolarHBondContact O-N 3.39Å; E318-E321 PolarHBondContact O-N 2.95Å; E318-R322 HydrophobicContact CG-CG 4.39Å; E318-R322 WeakPolarHBondContact O-CB 3.47Å; E318-R322 WeakPolarHBondContact O-CG 3.41Å; E318-R322 PolarHBondContact O-N 3.39Å; E318-R322 IonicContact OE1-NH1 2.68Å; E318-R322 PolarHBondContact OE1-NH1 3.31Å; E318-L543 HydrophobicContact CB-CD2 4.17Å; E318-L543 HydrophobicContact CG-CD2 3.94Å
319A98.8Very high98.5Very high0 Ų011.5 Ų11.50%05%0.054CC..Hα-helixtrans-60-44.4-18000000111.8L315 G316 C317 A323 L453 L456 L543 I546L315-A319 WeakPolarHBondContact O-CB 3.41Å; L315-A319 PolarHBondContact O-N 3.05Å; G316-A319 PolarHBondContact O-N 3.29Å; C317-A319 VanDerWaalsContact C-N 3.31Å; C317-A319 PolarHBondContact O-N 2.76Å; A319-A323 WeakPolarHBondContact O-CB 3.31Å; A319-A323 PolarHBondContact O-N 3.26Å; A319-L453 HydrophobicContact CB-CD2 4.44Å; A319-L456 HydrophobicContact CB-CD2 3.82Å; A319-L543 HydrophobicContact CB-CD2 3.83Å; A319-L543 HydrophobicContact CB-CG 4.13Å; A319-I546 HydrophobicContact CB-CD1 3.66Å; A319-I546 VanDerWaalsContact O-CD1 3.26Å; A319-I546 WeakPolarHBondContact O-CD1 3.48Å
320I98.6Very high98.6Very high0 Ų011.4 Ų11.40%05%0.053CC..Hα-helixtrans-63.1-46.2178.2-72.9157.4000111.7T123 G316 C317 E318 A323 S324 V414 K415 I418 L456T123-I320 HydrophobicContact CG2-CD1 4.4Å; G316-I320 WeakPolarHBondContact O-CD1 3.45Å; G316-I320 WeakPolarHBondContact O-CG1 3.48Å; G316-I320 PolarHBondContact O-N 2.85Å; C317-I320 PolarHBondContact O-N 2.96Å; E318-I320 PolarHBondContact O-N 3.39Å; I320-A323 PolarHBondContact O-N 3.36Å; I320-S324 VanDerWaalsContact O-CB 3.3Å; I320-S324 WeakPolarHBondContact O-CB 3.46Å; I320-S324 PolarHBondContact O-N 3.1Å; I320-S324 PolarHBondContact O-OG 3.24Å; I320-V414 HydrophobicContact CD1-CG1 4.11Å; I320-V414 HydrophobicContact CG1-CG1 4.05Å; I320-K415 HydrophobicContact CD1-CB 4.41Å; I320-K415 HydrophobicContact CG2-CB 3.84Å; I320-K415 HydrophobicContact CG2-CD 3.75Å; I320-K415 HydrophobicContact CG2-CG 3.88Å; I320-I418 HydrophobicContact CD1-CB 3.44Å; I320-I418 VanDerWaalsContact CD1-CB 3.44Å; I320-I418 HydrophobicContact CD1-CG1 3.55Å; I320-I418 HydrophobicContact CD1-CG2 3.66Å; I320-L456 HydrophobicContact CG1-CD2 4.3Å
321E98.7Very high98.6Very high43 Ų4311.4 Ų11.420%0.2015%0.053CC..Hα-helixtrans-68.5-40.2-177.1-65.9-51.2132.100111.2T123 V127 C317 E318 A325 K415T123-E321 WeakPolarHBondContact CB-OE1 3.4Å; T123-E321 PolarHBondContact OG1-OE1 3.34Å; V127-E321 HydrophobicContact CG2-CB 4.23Å; V127-E321 HydrophobicContact CG2-CG 3.95Å; C317-E321 WeakPolarHBondContact O-CG 3.35Å; C317-E321 PolarHBondContact O-N 3.31Å; C317-E321 VanDerWaalsContact O-N 3.11Å; E318-E321 PolarHBondContact O-N 2.95Å; E321-A325 WeakPolarHBondContact O-CB 3.46Å; E321-A325 PolarHBondContact O-N 2.92Å; E321-K415 IonicContact OE1-NZ 3.02Å; E321-K415 PolarHBondContact OE1-NZ 2.83Å; E321-K415 IonicContact OE2-NZ 3.58Å
322R98.8Very high98.7Very high48 Ų4811.3 Ų11.318%0.1815%0.053CC..Hα-helixtrans-65.5-45172.8-70.5177.764.8-176.4-1.6112.3E318 S324 A325 I326 I546 E550E318-R322 HydrophobicContact CG-CG 4.39Å; E318-R322 WeakPolarHBondContact O-CB 3.47Å; E318-R322 WeakPolarHBondContact O-CG 3.41Å; E318-R322 PolarHBondContact O-N 3.39Å; E318-R322 IonicContact OE1-NH1 2.68Å; E318-R322 PolarHBondContact OE1-NH1 3.31Å; R322-S324 VanDerWaalsContact C-N 3.35Å; R322-S324 PolarHBondContact O-N 2.93Å; R322-A325 PolarHBondContact O-N 3.4Å; R322-I326 WeakPolarHBondContact O-CG2 3.4Å; R322-I326 PolarHBondContact O-N 2.9Å; R322-I546 HydrophobicContact CB-CG2 3.79Å; R322-E550 IonicContact CZ-OE1 3.6Å; R322-E550 IonicContact CZ-OE2 3.78Å; R322-E550 IonicContact NE-OE1 2.69Å; R322-E550 PolarHBondContact NE-OE1 3.27Å; R322-E550 IonicContact NE-OE2 2.83Å; R322-E550 VanDerWaalsContact NH2-CD 3.27Å; R322-E550 IonicContact NH2-OE1 2.87Å; R322-E550 PolarHBondContact NH2-OE1 3.07Å; R322-E550 VanDerWaalsContact NH2-OE1 3.11Å; R322-E550 IonicContact NH2-OE2 3.94Å; R322-E550 PolarHBondContact NH2-OE2 3.36Å
323A98.9Very high98.7Very high0 Ų011.3 Ų11.30%05%0.053CC..Hα-helixtrans-60.4-43.4176.900000111.8A319 I320 A325 I326 A327 I411 L456 I460 I546A319-A323 WeakPolarHBondContact O-CB 3.31Å; A319-A323 PolarHBondContact O-N 3.26Å; I320-A323 PolarHBondContact O-N 3.36Å; A323-A325 VanDerWaalsContact C-N 3.35Å; A323-A325 PolarHBondContact O-N 3.36Å; A323-I326 WeakPolarHBondContact O-CG2 3.45Å; A323-I326 PolarHBondContact O-N 3.02Å; A323-A327 WeakPolarHBondContact O-CB 3.37Å; A323-A327 PolarHBondContact O-N 3.05Å; A323-I411 HydrophobicContact CB-CD1 4.02Å; A323-I411 HydrophobicContact CB-CG1 4.06Å; A323-L456 HydrophobicContact CB-CD1 4.01Å; A323-I460 HydrophobicContact CB-CD1 3.97Å; A323-I460 HydrophobicContact CB-CG1 4.22Å; A323-I546 HydrophobicContact CB-CD1 4.08Å; A323-I546 HydrophobicContact CB-CG1 4.39Å
324S98.7Very high98.7Very high26 Ų2611.3 Ų11.318%0.1825%0.053CC..Hα-helixtrans-63.5-40.6176.7-57.80000112I320 R322 R328 I411I320-S324 VanDerWaalsContact O-CB 3.3Å; I320-S324 WeakPolarHBondContact O-CB 3.46Å; I320-S324 PolarHBondContact O-N 3.1Å; I320-S324 PolarHBondContact O-OG 3.24Å; R322-S324 VanDerWaalsContact C-N 3.35Å; R322-S324 PolarHBondContact O-N 2.93Å; S324-R328 PolarHBondContact O-NE 3.45Å; S324-I411 VanDerWaalsContact OG-CG2 3.25Å; S324-I411 WeakPolarHBondContact OG-CG2 3.48Å
325A98.6Very high98.8Very high10 Ų1011.2 Ų11.28%0.0835%0.052CC..Hα-helixtrans-65.9-48.5177.200000112.1E321 R322 A323 Q329 Q610E321-A325 WeakPolarHBondContact O-CB 3.46Å; E321-A325 PolarHBondContact O-N 2.92Å; R322-A325 PolarHBondContact O-N 3.4Å; A323-A325 VanDerWaalsContact C-N 3.35Å; A323-A325 PolarHBondContact O-N 3.36Å; A325-Q329 PolarHBondContact O-N 2.82Å; A325-Q329 PolarHBondContact O-NE2 2.73Å; A325-Q610 VanDerWaalsContact CB-CD 3.45Å; A325-Q610 HydrophobicContact CB-CG 3.83Å
326I98.9Very high98.7Very high3 Ų311.1 Ų11.12%0.0155%0.052CC..Hα-helixtrans-73.3-34.3-176.7-164.759.2000112.4R322 A323 R328 Q329 A330 I460 V549 E550 L553 L607R322-I326 WeakPolarHBondContact O-CG2 3.4Å; R322-I326 PolarHBondContact O-N 2.9Å; A323-I326 WeakPolarHBondContact O-CG2 3.45Å; A323-I326 PolarHBondContact O-N 3.02Å; I326-R328 VanDerWaalsContact C-N 3.34Å; I326-R328 PolarHBondContact O-N 2.77Å; I326-Q329 PolarHBondContact O-N 3.43Å; I326-Q329 VanDerWaalsContact O-N 3.14Å; I326-A330 WeakPolarHBondContact O-CB 3.4Å; I326-A330 PolarHBondContact O-N 3.31Å; I326-I460 HydrophobicContact CG2-CD1 4.19Å; I326-V549 HydrophobicContact CG1-CG1 4.16Å; I326-V549 HydrophobicContact CG2-CG1 4.3Å; I326-E550 HydrophobicContact CB-CG 4.15Å; I326-E550 HydrophobicContact CD1-CB 4.31Å; I326-E550 HydrophobicContact CD1-CG 3.97Å; I326-E550 HydrophobicContact CG1-CB 4.46Å; I326-E550 HydrophobicContact CG1-CG 3.81Å; I326-L553 HydrophobicContact CD1-CB 4.41Å; I326-L553 HydrophobicContact CD1-CD1 3.65Å; I326-L553 HydrophobicContact CG1-CD1 3.47Å; I326-L553 VanDerWaalsContact CG1-CD1 3.47Å; I326-L607 HydrophobicContact CD1-CB 4.17Å; I326-L607 HydrophobicContact CD1-CD1 4.18Å; I326-L607 HydrophobicContact CD1-CD2 4.43Å
327A98.9Very high98.7Very high2 Ų211.1 Ų11.12%0.0175%0.052CC..Hα-helixtrans-61.3-39.9178.100000112.8A323 A330 I411 L463A323-A327 WeakPolarHBondContact O-CB 3.37Å; A323-A327 PolarHBondContact O-N 3.05Å; A327-A330 PolarHBondContact O-N 3.36Å; A327-I411 HydrophobicContact CB-CD1 3.72Å; A327-L463 HydrophobicContact CB-CD1 3.96Å
328R98.1Very high98.7Very high73 Ų7311.2 Ų11.228%0.2755%0.052SC..Hα-helixtrans-66.5-37.6174.7-68.6-175.7-68176.13112.6S324 I326 Q610 W613S324-R328 PolarHBondContact O-NE 3.45Å; I326-R328 VanDerWaalsContact C-N 3.34Å; I326-R328 PolarHBondContact O-N 2.77Å; R328-Q610 VanDerWaalsContact NH2-OE1 3.08Å; R328-W613 HydrophobicContact CB-CD2 4.22Å; R328-W613 HydrophobicContact CB-CE3 3.66Å; R328-W613 HydrophobicContact CB-CZ3 3.82Å; R328-W613 HydrophobicContact CG-CE3 4.48Å; R328-W613 HydrophobicContact CG-CZ3 4.31Å
329Q98.8Very high98.5Very high1 Ų110.3 Ų10.31%0.0055%0.048CC..Hα-helixtrans-74.4-29.6178.6-67.9178.4103.400112.2A325 I326 D331 I332 V333 L607 V612 W613A325-Q329 PolarHBondContact O-N 2.82Å; A325-Q329 PolarHBondContact O-NE2 2.73Å; I326-Q329 PolarHBondContact O-N 3.43Å; I326-Q329 VanDerWaalsContact O-N 3.14Å; Q329-D331 PolarHBondContact O-N 3.21Å; Q329-I332 WeakPolarHBondContact O-CB 3.31Å; Q329-I332 PolarHBondContact O-N 3.44Å; Q329-I332 VanDerWaalsContact O-N 3.08Å; Q329-V333 WeakPolarHBondContact O-CG2 3.4Å; Q329-V333 PolarHBondContact O-N 2.98Å; Q329-L607 HydrophobicContact CB-CD2 3.99Å; Q329-L607 HydrophobicContact CG-CD2 4.47Å; Q329-L607 PolarHBondContact NE2-O 3.04Å; Q329-V612 HydrophobicContact CG-CB 4.42Å; Q329-W613 HydrophobicContact CG-CB 3.75Å
330A98.9Very high98.4Very high0 Ų010.4 Ų10.40%05%0.049CC..Hα-helixtrans-59-35.3175.200000112.5I326 A327 A334 L463 L553I326-A330 WeakPolarHBondContact O-CB 3.4Å; I326-A330 PolarHBondContact O-N 3.31Å; A327-A330 PolarHBondContact O-N 3.36Å; A330-A334 VanDerWaalsContact O-CB 3.22Å; A330-A334 WeakPolarHBondContact O-CB 3.14Å; A330-A334 PolarHBondContact O-N 2.9Å; A330-L463 HydrophobicContact CB-CD1 3.99Å; A330-L463 HydrophobicContact CB-CD2 4.25Å; A330-L553 HydrophobicContact CB-CD1 3.74Å; A330-L553 HydrophobicContact CB-CD2 3.93Å
331D98.9Very high98.3Very high1 Ų110.7 Ų10.71%0.0055%0.05CC..Hα-helixtrans-64.2-41.2175.2-61.4-26000111.5Q329 A335 V364 R367 F368 H404Q329-D331 PolarHBondContact O-N 3.21Å; D331-A335 WeakPolarHBondContact O-CB 3.44Å; D331-A335 PolarHBondContact O-N 3.17Å; D331-V364 WeakPolarHBondContact OD1-CG1 3.47Å; D331-R367 HydrophobicContact CB-CB 4.43Å; D331-R367 VanDerWaalsContact OD2-CD 3.25Å; D331-R367 WeakPolarHBondContact OD2-CD 3.31Å; D331-R367 IonicContact OD2-CZ 2.86Å; D331-R367 IonicContact OD2-NE 2.75Å; D331-R367 IonicContact OD2-NH1 3.37Å; D331-R367 PolarHBondContact OD2-NH1 2.92Å; D331-F368 HydrophobicContact CB-CE2 4.15Å; D331-H404 IonicContact OD1-CE1 2.67Å; D331-H404 IonicContact OD1-CG 3.77Å; D331-H404 IonicContact OD1-ND1 2.67Å; D331-H404 PolarHBondContact OD1-ND1 3.32Å
332I98.9Very high98Very high1 Ų110.7 Ų10.71%0.0055%0.049CC..Hα-helixtrans-67.6-45.8178.1-60.9162.8000110.9Q329 A334 A335 L336 L371 L576 V579 V612 W613 A616Q329-I332 WeakPolarHBondContact O-CB 3.31Å; Q329-I332 PolarHBondContact O-N 3.44Å; Q329-I332 VanDerWaalsContact O-N 3.08Å; I332-A334 VanDerWaalsContact C-N 3.33Å; I332-A334 PolarHBondContact O-N 3.43Å; I332-A335 PolarHBondContact O-N 3.3Å; I332-L336 PolarHBondContact O-N 3.02Å; I332-L371 HydrophobicContact CB-CD1 4.36Å; I332-L371 HydrophobicContact CG1-CD1 3.85Å; I332-L576 HydrophobicContact CG2-CD2 4.36Å; I332-V579 HydrophobicContact CG2-CG1 4.32Å; I332-V579 HydrophobicContact CG2-CG2 3.79Å; I332-V612 HydrophobicContact CB-CG1 4.16Å; I332-V612 HydrophobicContact CD1-CG1 4.14Å; I332-V612 HydrophobicContact CG2-CG1 3.71Å; I332-W613 HydrophobicContact CD1-CE3 3.93Å; I332-A616 HydrophobicContact CD1-CB 3.51Å; I332-A616 HydrophobicContact CG1-CB 4.04Å; I332-A616 HydrophobicContact CG2-CB 4.45Å
333V98.9Very high97.6Very high0 Ų08.7 Ų8.70%04%0.044CC..Hα-helixtrans-61.3-44.3177.8175.90000110.4Q329 A335 L336 T337 L553 E556 L557Q329-V333 WeakPolarHBondContact O-CG2 3.4Å; Q329-V333 PolarHBondContact O-N 2.98Å; V333-A335 PolarHBondContact O-N 3.42Å; V333-L336 WeakPolarHBondContact O-CB 3.44Å; V333-L336 PolarHBondContact O-N 3.36Å; V333-T337 PolarHBondContact O-N 2.93Å; V333-T337 VanDerWaalsContact O-N 3.09Å; V333-T337 PolarHBondContact O-OG1 2.94Å; V333-L553 HydrophobicContact CB-CD2 4.29Å; V333-L553 HydrophobicContact CG1-CD2 4.17Å; V333-E556 HydrophobicContact CG1-CB 3.75Å; V333-E556 HydrophobicContact CG1-CG 3.65Å; V333-L557 HydrophobicContact CG1-CB 4.25Å; V333-L557 HydrophobicContact CG2-CB 4.14Å; V333-L557 HydrophobicContact CG2-CD1 4.28Å
334A98.9Very high97.1Very high0 Ų010.7 Ų10.70%06%0.056CC..Hα-helixtrans-66.7-34.3177.200000112.9A330 I332 T337 L338 F368A330-A334 VanDerWaalsContact O-CB 3.22Å; A330-A334 WeakPolarHBondContact O-CB 3.14Å; A330-A334 PolarHBondContact O-N 2.9Å; I332-A334 VanDerWaalsContact C-N 3.33Å; I332-A334 PolarHBondContact O-N 3.43Å; A334-T337 PolarHBondContact O-N 2.95Å; A334-L338 WeakPolarHBondContact O-CB 3.48Å; A334-L338 PolarHBondContact O-N 3.46Å; A334-F368 HydrophobicContact CB-CE1 4.26Å; A334-F368 HydrophobicContact CB-CZ 3.62Å
335A98.6Very high96.6Very high0 Ų011.4 Ų11.40%06%0.06CC..Hα-helixtrans-65.3-40.717400000112.1D331 I332 V333 L338 E339 F368 L371 L372 L576D331-A335 WeakPolarHBondContact O-CB 3.44Å; D331-A335 PolarHBondContact O-N 3.17Å; I332-A335 PolarHBondContact O-N 3.3Å; V333-A335 PolarHBondContact O-N 3.42Å; A335-L338 WeakPolarHBondContact O-CB 3.22Å; A335-L338 PolarHBondContact O-N 3.4Å; A335-E339 PolarHBondContact O-N 2.94Å; A335-E339 VanDerWaalsContact O-N 3.07Å; A335-F368 HydrophobicContact CB-CD1 4.39Å; A335-F368 HydrophobicContact CB-CE1 4.35Å; A335-L371 HydrophobicContact CB-CB 4.32Å; A335-L371 HydrophobicContact CB-CD1 4.05Å; A335-L372 HydrophobicContact CB-CD1 4.26Å; A335-L372 HydrophobicContact CB-CD2 4.23Å; A335-L372 HydrophobicContact CB-CG 4.21Å; A335-L576 HydrophobicContact CB-CD1 4.26Å; A335-L576 HydrophobicContact CB-CD2 4.2Å
336L98.5Very high96.1Very high0 Ų013.8 Ų13.80%07%0.068CC..Hα-helixtrans-58-48.5170.7-81.4169.2000111.5I332 V333 L338 E339 V340 L557 A560 I564 L576 V579I332-L336 PolarHBondContact O-N 3.02Å; V333-L336 WeakPolarHBondContact O-CB 3.44Å; V333-L336 PolarHBondContact O-N 3.36Å; L336-L338 VanDerWaalsContact C-N 3.26Å; L336-L338 PolarHBondContact O-N 3.45Å; L336-E339 PolarHBondContact O-N 3.31Å; L336-V340 VanDerWaalsContact O-CG2 3.28Å; L336-V340 WeakPolarHBondContact O-CG2 3.11Å; L336-V340 PolarHBondContact O-N 3.36Å; L336-L557 HydrophobicContact CD1-CD1 3.57Å; L336-A560 HydrophobicContact CB-CB 3.94Å; L336-I564 HydrophobicContact CD2-CD1 3.93Å; L336-L576 HydrophobicContact CD2-CB 3.81Å; L336-L576 HydrophobicContact CD2-CD2 4.32Å; L336-L576 HydrophobicContact CD2-CG 4.47Å; L336-L576 HydrophobicContact CG-CD2 4.13Å; L336-V579 HydrophobicContact CD1-CB 4.26Å; L336-V579 HydrophobicContact CD1-CG1 3.67Å
337T98.8Very high95.7Very high0 Ų014.2 Ų14.20%07%0.072CC..Hα-helixtrans-62-36178.5-59.20000112V333 A334 V340 L341 L397 R470 L474 E556V333-T337 PolarHBondContact O-N 2.93Å; V333-T337 VanDerWaalsContact O-N 3.09Å; V333-T337 PolarHBondContact O-OG1 2.94Å; A334-T337 PolarHBondContact O-N 2.95Å; T337-V340 PolarHBondContact O-N 3.02Å; T337-L341 HydrophobicContact CG2-CD1 3.69Å; T337-L341 HydrophobicContact CG2-CG 4.25Å; T337-L341 WeakPolarHBondContact O-CB 3.44Å; T337-L341 WeakPolarHBondContact O-CG 3.46Å; T337-L341 PolarHBondContact O-N 3.45Å; T337-L397 HydrophobicContact CG2-CD2 4.2Å; T337-R470 HydrophobicContact CG2-CB 3.94Å; T337-R470 HydrophobicContact CG2-CG 4.33Å; T337-L474 HydrophobicContact CG2-CD1 3.76Å; T337-L474 HydrophobicContact CG2-CD2 4.12Å; T337-L474 HydrophobicContact CG2-CG 3.89Å; T337-E556 WeakPolarHBondContact CB-OE1 3.28Å; T337-E556 PolarHBondContact OG1-OE1 3.5Å
338L97.4Very high95.4Very high3 Ų314.1 Ų14.12%0.0167%0.071CC..Hα-helixtrans-63.9-44.5176.4-173.8147.7000112.1A334 A335 L336 L341 K342 G343 F348 F368 L372A334-L338 WeakPolarHBondContact O-CB 3.48Å; A334-L338 PolarHBondContact O-N 3.46Å; A335-L338 WeakPolarHBondContact O-CB 3.22Å; A335-L338 PolarHBondContact O-N 3.4Å; L336-L338 VanDerWaalsContact C-N 3.26Å; L336-L338 PolarHBondContact O-N 3.45Å; L338-L341 CarbonylContact O-C 3.6Å; L338-L341 PolarHBondContact O-N 2.94Å; L338-K342 PolarHBondContact O-N 3.28Å; L338-K342 VanDerWaalsContact O-N 3.1Å; L338-G343 WeakPolarHBondContact CD2-O 3.42Å; L338-G343 PolarHBondContact O-N 3.43Å; L338-F348 HydrophobicContact CD1-CE2 3.39Å; L338-F348 HydrophobicContact CD1-CZ 3.32Å; L338-F368 HydrophobicContact CD1-CE1 4.42Å; L338-L372 HydrophobicContact CD1-CD1 4.34Å; L338-L372 HydrophobicContact CD2-CD1 3.9Å; L338-L372 HydrophobicContact CD2-CD2 4.26Å
339E95.3Very high95.2Very high6 Ų612.1 Ų12.13%0.0287%0.066CC..Hα-helixtrans-60.2-50174.3-82.1-88.4-140.700111.1A335 L336 L341 K342 L372 S379 I381 T572 T573 L576A335-E339 PolarHBondContact O-N 2.94Å; A335-E339 VanDerWaalsContact O-N 3.07Å; L336-E339 PolarHBondContact O-N 3.31Å; E339-L341 VanDerWaalsContact C-N 3.26Å; E339-L341 PolarHBondContact O-N 3.31Å; E339-K342 PolarHBondContact O-N 3.44Å; E339-L372 HydrophobicContact CG-CD2 3.51Å; E339-S379 VanDerWaalsContact CD-OG 3.26Å; E339-S379 VanDerWaalsContact OE1-CB 3.23Å; E339-S379 WeakPolarHBondContact OE1-CB 3.27Å; E339-S379 PolarHBondContact OE1-OG 3.29Å; E339-S379 PolarHBondContact OE2-OG 2.99Å; E339-I381 WeakPolarHBondContact O-CG2 3.48Å; E339-T572 WeakPolarHBondContact CB-OG1 3.47Å; E339-T572 WeakPolarHBondContact CG-OG1 3.5Å; E339-T572 PolarHBondContact OE1-OG1 2.75Å; E339-T573 WeakPolarHBondContact OE1-CG2 3.47Å; E339-T573 PolarHBondContact OE1-N 3.45Å; E339-L576 HydrophobicContact CG-CD1 3.8Å
340V96.8Very high95Very high1 Ų114.5 Ų14.51%0.0068%0.081CC..Hα-helixtrans-57-41179.1172.30000112.2L336 T337 K342 L474 L482 A560 I564L336-V340 VanDerWaalsContact O-CG2 3.28Å; L336-V340 WeakPolarHBondContact O-CG2 3.11Å; L336-V340 PolarHBondContact O-N 3.36Å; T337-V340 PolarHBondContact O-N 3.02Å; V340-K342 PolarHBondContact O-N 2.94Å; V340-L474 HydrophobicContact CB-CD2 4.12Å; V340-L474 HydrophobicContact CG1-CD2 3.41Å; V340-L474 VanDerWaalsContact CG1-CD2 3.41Å; V340-L482 HydrophobicContact CG1-CD1 3.67Å; V340-A560 HydrophobicContact CG2-CB 4.44Å; V340-A560 VanDerWaalsContact CG2-O 3.23Å; V340-A560 WeakPolarHBondContact CG2-O 3.43Å; V340-I564 HydrophobicContact CG2-CD1 4.36Å; V340-I564 HydrophobicContact CG2-CG1 3.52Å
341L95.8Very high94.9Very high6 Ų618.5 Ų18.53%0.03110%0.102CC..THydrogen-bonded Turntrans-85.35.9179.5-66.1177000113.4T337 L338 E339 G343 R390 L397 R473 L474T337-L341 HydrophobicContact CG2-CD1 3.69Å; T337-L341 HydrophobicContact CG2-CG 4.25Å; T337-L341 WeakPolarHBondContact O-CB 3.44Å; T337-L341 WeakPolarHBondContact O-CG 3.46Å; T337-L341 PolarHBondContact O-N 3.45Å; L338-L341 CarbonylContact O-C 3.6Å; L338-L341 PolarHBondContact O-N 2.94Å; E339-L341 VanDerWaalsContact C-N 3.26Å; E339-L341 PolarHBondContact O-N 3.31Å; L341-G343 VanDerWaalsContact C-N 3.34Å; L341-G343 PolarHBondContact O-N 3.28Å; L341-R390 PolarHBondContact O-NH1 3.5Å; L341-L397 HydrophobicContact CB-CD1 4.11Å; L341-L397 HydrophobicContact CD1-CD1 3.99Å; L341-L397 HydrophobicContact CD1-CD2 4.06Å; L341-R473 HydrophobicContact CD1-CB 3.91Å; L341-L474 HydrophobicContact CD1-CD2 4.42Å; L341-L474 HydrophobicContact CD1-CG 4.5Å; L341-L474 HydrophobicContact CD2-CD2 3.97Å; L341-L474 HydrophobicContact CG-CD2 3.98Å
342K92.9Very high94.7Very high43 Ų4322.3 Ų22.319%0.18712%0.121CC..THydrogen-bonded Turntrans55.749.5178.4-59.8171.9-164.71650111.3L338 E339 V340 I381 H385 R390 E481L338-K342 PolarHBondContact O-N 3.28Å; L338-K342 VanDerWaalsContact O-N 3.1Å; E339-K342 PolarHBondContact O-N 3.44Å; V340-K342 PolarHBondContact O-N 2.94Å; K342-I381 HydrophobicContact CG-CG2 4.31Å; K342-H385 VanDerWaalsContact C-CE1 3.49Å; K342-H385 WeakPolarHBondContact CA-CE1 3.46Å; K342-H385 HydrophobicContact CB-CB 4.03Å; K342-H385 WeakPolarHBondContact CB-ND1 3.32Å; K342-H385 HydrophobicContact CD-CB 4.09Å; K342-H385 HydrophobicContact CG-CB 4.34Å; K342-H385 PolarHBondContact O-CD2 2.74Å; K342-H385 VanDerWaalsContact O-CD2 3.24Å; K342-H385 PolarHBondContact O-NE2 3.33Å; K342-H385 VanDerWaalsContact O-NE2 3.08Å; K342-R390 PolarHBondContact O-NH1 2.94Å; K342-E481 IonicContact NZ-OE2 3.58Å; K342-E481 PolarHBondContact NZ-OE2 3.26Å
343G89.9Confident94.7Very high6 Ų622.3 Ų22.36%0.06212%0.121CC..  trans-85.1158.8-179.200000113.3L338 L341 H385 D393L338-G343 WeakPolarHBondContact CD2-O 3.42Å; L338-G343 PolarHBondContact O-N 3.43Å; L341-G343 VanDerWaalsContact C-N 3.34Å; L341-G343 PolarHBondContact O-N 3.28Å; G343-H385 PolarHBondContact O-NE2 3.42Å; G343-D393 VanDerWaalsContact CA-OD2 3.28Å; G343-D393 WeakPolarHBondContact CA-OD2 3.33Å
344T87.6Confident94.6Very high43 Ų4325.1 Ų25.126%0.26414%0.144SC..  trans-86.8132.4-179.91690000112.5K346 D393T344-K346 VanDerWaalsContact C-N 3.28Å; T344-K346 PolarHBondContact O-N 2.94Å; T344-K346 WeakPolarHBondContact OG1-CB 2.98Å; T344-K346 PolarHBondContact OG1-N 3.24Å; T344-D393 WeakPolarHBondContact CG2-OD2 3.22Å; T344-D393 PolarHBondContact N-OD2 2.84Å
345T88.7Confident94.5Very high41 Ų4132.5 Ų32.525%0.25218%0.183SC..G310 helixtrans-75.2-13.5175.257.10000114A347 F348 L372T345-A347 PolarHBondContact O-N 2.96Å; T345-A347 VanDerWaalsContact O-N 3.11Å; T345-F348 WeakPolarHBondContact O-CB 3.21Å; T345-F348 VanDerWaalsContact O-CD2 3.23Å; T345-F348 WeakPolarHBondContact O-CD2 3.43Å; T345-F348 PolarHBondContact O-N 3.3Å; T345-L372 HydrophobicContact CG2-CB 3.67Å; T345-L372 HydrophobicContact CG2-CD1 4.28Å
346K87.6Confident94.5Very high60 Ų6039 Ų3926%0.26121%0.207SC..G310 helixtrans-59-25.5-179.6-66.3-171.6173.9-175.30114.8T344 F348 D349 I352 P633 S635 A638T344-K346 VanDerWaalsContact C-N 3.28Å; T344-K346 PolarHBondContact O-N 2.94Å; T344-K346 WeakPolarHBondContact OG1-CB 2.98Å; T344-K346 PolarHBondContact OG1-N 3.24Å; K346-F348 PolarHBondContact O-N 2.98Å; K346-F348 VanDerWaalsContact O-N 3.13Å; K346-D349 PolarHBondContact O-N 2.88Å; K346-I352 WeakPolarHBondContact O-CD1 3.34Å; K346-P633 WeakPolarHBondContact CE-O 3.46Å; K346-P633 PolarHBondContact NZ-O 2.91Å; K346-S635 WeakPolarHBondContact CE-OG 3.49Å; K346-S635 PolarHBondContact NZ-OG 3Å; K346-A638 HydrophobicContact CD-CB 4.13Å
347A90.8Very high94.5Very high11 Ų1143.5 Ų43.59%0.09124%0.237CC..G310 helixtrans-59.4-20.1174.800000112.9T345 H353 R398T345-A347 PolarHBondContact O-N 2.96Å; T345-A347 VanDerWaalsContact O-N 3.11Å; A347-H353 PolarHBondContact O-CE1 3.45Å; A347-H353 PolarHBondContact O-NE2 2.81Å; A347-H353 VanDerWaalsContact O-NE2 3.09Å; A347-R398 HydrophobicContact CB-CB 4.31Å; A347-R398 HydrophobicContact CB-CG 3.73Å
348F94Very high94.4Very high1 Ų148 Ų480%0.00426%0.258CS..G310 helixtrans-103.27.9-174.3-43.7-53.5000113.4L338 T345 K346 T350 H353 F368 R369 L372 P401L338-F348 HydrophobicContact CD1-CE2 3.39Å; L338-F348 HydrophobicContact CD1-CZ 3.32Å; T345-F348 WeakPolarHBondContact O-CB 3.21Å; T345-F348 VanDerWaalsContact O-CD2 3.23Å; T345-F348 WeakPolarHBondContact O-CD2 3.43Å; T345-F348 PolarHBondContact O-N 3.3Å; K346-F348 PolarHBondContact O-N 2.98Å; K346-F348 VanDerWaalsContact O-N 3.13Å; F348-T350 PolarHBondContact O-N 3.29Å; F348-H353 VanDerWaalsContact CA-NE2 3.32Å; F348-H353 WeakPolarHBondContact CA-NE2 3.48Å; F348-F368 HydrophobicContact CB-CB 4.19Å; F348-F368 HydrophobicContact CD1-CB 3.91Å; F348-F368 HydrophobicContact CD1-CD1 4.21Å; F348-F368 HydrophobicContact CD1-CG 4.06Å; F348-F368 HydrophobicContact CD2-CB 3.79Å; F348-F368 HydrophobicContact CD2-CD1 4.1Å; F348-F368 HydrophobicContact CD2-CG 4.31Å; F348-F368 HydrophobicContact CE1-CB 4.28Å; F348-F368 AromaticContact CE1-CD1 3.7Å; F348-F368 HydrophobicContact CE1-CD1 3.7Å; F348-F368 HydrophobicContact CE1-CE1 4.16Å; F348-F368 AromaticContact CE1-CG 3.97Å; F348-F368 HydrophobicContact CE1-CG 3.97Å; F348-F368 HydrophobicContact CE2-CB 4.17Å; F348-F368 AromaticContact CE2-CD1 3.58Å; F348-F368 HydrophobicContact CE2-CD1 3.58Å; F348-F368 HydrophobicContact CE2-CE1 4.38Å; F348-F368 HydrophobicContact CE2-CG 4.22Å; F348-F368 HydrophobicContact CG-CB 3.66Å; F348-F368 HydrophobicContact CG-CD1 4.4Å; F348-F368 HydrophobicContact CG-CG 4.25Å; F348-F368 HydrophobicContact CZ-CB 4.4Å; F348-F368 AromaticContact CZ-CD1 3.35Å; F348-F368 HydrophobicContact CZ-CD1 3.35Å; F348-F368 AromaticContact CZ-CE1 3.8Å; F348-F368 HydrophobicContact CZ-CE1 3.8Å; F348-F368 HydrophobicContact CZ-CG 4.05Å; F348-R369 HydrophobicContact CB-CG 3.92Å; F348-R369 WeakPolarHBondContact O-CD 3.29Å; F348-R369 WeakPolarHBondContact O-CG 3.48Å; F348-R369 PolarHBondContact O-NH1 2.88Å; F348-L372 HydrophobicContact CD2-CD1 4.24Å; F348-L372 HydrophobicContact CE2-CD1 3.88Å; F348-P401 HydrophobicContact CD1-CG 3.58Å; F348-P401 HydrophobicContact CE1-CG 3.9Å
349D93.5Very high94.5Very high31 Ų3156 Ų5617%0.16629%0.288CS..  trans-55.9133.7180-175.6-61.8000110.9K346 D351 I352 H353 R632K346-D349 PolarHBondContact O-N 2.88Å; D349-D351 PolarHBondContact O-N 3.28Å; D349-D351 VanDerWaalsContact OD1-CB 3.31Å; D349-D351 WeakPolarHBondContact OD1-CB 3.35Å; D349-D351 PolarHBondContact OD1-N 3.01Å; D349-I352 HydrophobicContact CB-CD1 4.04Å; D349-I352 HydrophobicContact CB-CG1 4.18Å; D349-I352 WeakPolarHBondContact O-CB 3.32Å; D349-I352 PolarHBondContact O-N 3.2Å; D349-I352 VanDerWaalsContact O-N 3.14Å; D349-H353 PolarHBondContact O-CD2 3.31Å; D349-H353 PolarHBondContact O-N 3.27Å; D349-R632 IonicContact OD1-CZ 2.84Å; D349-R632 IonicContact OD1-NH1 3.42Å; D349-R632 PolarHBondContact OD1-NH1 2.94Å; D349-R632 IonicContact OD1-NH2 2.83Å; D349-R632 IonicContact OD2-CZ 3.32Å; D349-R632 VanDerWaalsContact OD2-CZ 3.28Å; D349-R632 IonicContact OD2-NE 3.24Å; D349-R632 IonicContact OD2-NH1 2.77Å; D349-R632 PolarHBondContact OD2-NH1 3.17Å
350T94.6Very high94.6Very high51 Ų5155.9 Ų55.931%0.31329%0.288SS..Hα-helixtrans-57.1-36-175.3-57.30000111.8F348 I352 H353 A354 R369 E630F348-T350 PolarHBondContact O-N 3.29Å; T350-I352 PolarHBondContact O-N 3.46Å; T350-H353 PolarHBondContact O-N 3.26Å; T350-A354 WeakPolarHBondContact O-CB 3.49Å; T350-A354 PolarHBondContact O-N 3.35Å; T350-R369 PolarHBondContact OG1-NE 3.35Å; T350-R369 VanDerWaalsContact OG1-NE 3.17Å; T350-R369 PolarHBondContact OG1-NH2 3.14Å; T350-R369 VanDerWaalsContact OG1-NH2 3.15Å; T350-E630 WeakPolarHBondContact CB-OE1 3.4Å; T350-E630 PolarHBondContact N-OE1 3.12Å; T350-E630 VanDerWaalsContact OG1-CD 3.26Å; T350-E630 PolarHBondContact OG1-OE1 2.77Å; T350-E630 PolarHBondContact OG1-OE2 3.1Å
351D95.4Very high94.7Very high83 Ų8356 Ų5644%0.44429%0.289SS..Hα-helixtrans-68.1-37-178.2-61.4-24.6000111.3D349 H353 A354 L355 R632D349-D351 PolarHBondContact O-N 3.28Å; D349-D351 VanDerWaalsContact OD1-CB 3.31Å; D349-D351 WeakPolarHBondContact OD1-CB 3.35Å; D349-D351 PolarHBondContact OD1-N 3.01Å; D351-H353 VanDerWaalsContact C-N 3.28Å; D351-H353 PolarHBondContact O-N 2.87Å; D351-A354 PolarHBondContact O-N 3.41Å; D351-L355 VanDerWaalsContact O-CG 3.27Å; D351-L355 WeakPolarHBondContact O-CG 3.18Å; D351-L355 PolarHBondContact O-N 3.47Å; D351-L355 VanDerWaalsContact O-N 3.12Å; D351-R632 VanDerWaalsContact CG-NH2 3.31Å; D351-R632 IonicContact OD1-NH2 3.21Å; D351-R632 PolarHBondContact OD1-NH2 3.19Å; D351-R632 IonicContact OD2-CZ 3.66Å; D351-R632 VanDerWaalsContact OD2-CZ 3.24Å; D351-R632 IonicContact OD2-NH1 3.89Å; D351-R632 PolarHBondContact OD2-NH1 3.23Å; D351-R632 IonicContact OD2-NH2 3.61Å; D351-R632 PolarHBondContact OD2-NH2 2.67Å
352I96Very high94.9Very high81 Ų8159 Ų5942%0.41530%0.304SS..Hα-helixtrans-59.2-44.8176.3-63.7176000109.9K346 D349 T350K346-I352 WeakPolarHBondContact O-CD1 3.34Å; D349-I352 HydrophobicContact CB-CD1 4.04Å; D349-I352 HydrophobicContact CB-CG1 4.18Å; D349-I352 WeakPolarHBondContact O-CB 3.32Å; D349-I352 PolarHBondContact O-N 3.2Å; D349-I352 VanDerWaalsContact O-N 3.14Å; T350-I352 PolarHBondContact O-N 3.46Å
353H97.6Very high95.1Very high2 Ų259.1 Ų59.11%0.00931%0.305CS..Hα-helixtrans-82.9-26.1-175.3-55.6-61.5000113A347 F348 D349 T350 D351 L355 R356 Q361 I362 A365A347-H353 PolarHBondContact O-CE1 3.45Å; A347-H353 PolarHBondContact O-NE2 2.81Å; A347-H353 VanDerWaalsContact O-NE2 3.09Å; F348-H353 VanDerWaalsContact CA-NE2 3.32Å; F348-H353 WeakPolarHBondContact CA-NE2 3.48Å; D349-H353 PolarHBondContact O-CD2 3.31Å; D349-H353 PolarHBondContact O-N 3.27Å; T350-H353 PolarHBondContact O-N 3.26Å; D351-H353 VanDerWaalsContact C-N 3.28Å; D351-H353 PolarHBondContact O-N 2.87Å; H353-L355 VanDerWaalsContact C-N 3.3Å; H353-R356 CarbonylContact O-C 3.32Å; H353-R356 PolarHBondContact O-N 3.2Å; H353-Q361 PolarHBondContact ND1-NE2 3.22Å; H353-Q361 VanDerWaalsContact ND1-NE2 3.17Å; H353-I362 HydrophobicContact CB-CG1 4.16Å; H353-A365 HydrophobicContact CB-CB 4.42Å; H353-A365 WeakPolarHBondContact CD2-CB 3.39Å; H353-A365 WeakPolarHBondContact NE2-CB 3.11Å
354A97.3Very high95.5Very high58 Ų5858.8 Ų58.848%0.47930%0.302SS..Hα-helixtrans-64.9-34.5169.700000111.9T350 D351 R356T350-A354 WeakPolarHBondContact O-CB 3.49Å; T350-A354 PolarHBondContact O-N 3.35Å; D351-A354 PolarHBondContact O-N 3.41Å; A354-R356 VanDerWaalsContact C-N 3.25Å; A354-R356 PolarHBondContact O-N 2.93Å
355L98.1Very high96Very high155 Ų15556.8 Ų56.881%0.81229%0.289SS*.THydrogen-bonded Turntrans-70.8-18.1176-70.1172.2000113.8D351 H353D351-L355 VanDerWaalsContact O-CG 3.27Å; D351-L355 WeakPolarHBondContact O-CG 3.18Å; D351-L355 PolarHBondContact O-N 3.47Å; D351-L355 VanDerWaalsContact O-N 3.12Å; H353-L355 VanDerWaalsContact C-N 3.3Å
356R97.9Very high96.4Very high137 Ų13756 Ų5652%0.51728%0.282SS..SBendtrans-131.277.9172.3-168.9-173.8-179-165.44.3109.8H353 A354 H358 Q361H353-R356 CarbonylContact O-C 3.32Å; H353-R356 PolarHBondContact O-N 3.2Å; A354-R356 VanDerWaalsContact C-N 3.25Å; A354-R356 PolarHBondContact O-N 2.93Å; R356-H358 PolarHBondContact O-N 3.32Å; R356-Q361 PolarHBondContact O-NE2 2.96Å; R356-Q361 VanDerWaalsContact O-NE2 3.17Å
357P97.3Very high96.9Very high95 Ų9554 Ų5462%0.61727%0.273SS*.  trans-83.649-15835.1-38.7000114.1R359 I362P357-R359 PolarHBondContact O-N 3.09Å; P357-I362 HydrophobicContact CB-CD1 4.02Å
358H98.6Very high97.2Very high95 Ų9553.5 Ų53.544%0.4427%0.269SS..  trans-69129.5166.2-65.2-68.6000109.1R356 G360 Q361 I362R356-H358 PolarHBondContact O-N 3.32Å; H358-G360 PolarHBondContact O-N 3.45Å; H358-Q361 HydrophobicContact CB-CB 3.95Å; H358-Q361 WeakPolarHBondContact O-CB 3.46Å; H358-Q361 PolarHBondContact O-N 2.87Å; H358-Q361 VanDerWaalsContact O-N 3.13Å; H358-I362 PolarHBondContact O-N 3.39Å
359R98.4Very high97.3Very high170 Ų17055.1 Ų55.164%0.64228%0.275SS*.Hα-helixtrans-59.7-48.3-172.5-174.4-178.868.8170.24.1111.7P357 Q361 I362 E363P357-R359 PolarHBondContact O-N 3.09Å; R359-Q361 VanDerWaalsContact C-N 3.29Å; R359-Q361 PolarHBondContact O-N 3.41Å; R359-I362 PolarHBondContact O-N 2.83Å; R359-E363 PolarHBondContact O-N 2.88Å
360G98.5Very high97.4Very high3 Ų353.7 Ų53.73%0.03127%0.267CS..Hα-helixtrans-61.2-38.5177.500000112.5H358 E363 V364 G405 D409H358-G360 PolarHBondContact O-N 3.45Å; G360-E363 PolarHBondContact O-N 3.42Å; G360-V364 VanDerWaalsContact O-CG2 3.3Å; G360-V364 WeakPolarHBondContact O-CG2 3.46Å; G360-V364 PolarHBondContact O-N 3.03Å; G360-G405 WeakPolarHBondContact CA-O 3.4Å; G360-G405 WeakPolarHBondContact O-CA 3.42Å; G360-D409 PolarHBondContact N-OD1 3.12Å; G360-D409 PolarHBondContact N-OD2 2.9Å
361Q98.6Very high97.5Very high5 Ų551.2 Ų51.22%0.02325%0.252CS..Hα-helixtrans-63.9-44.9178.1-172.2-169.6-70.400112H353 R356 H358 R359 A365 P401 Q402H353-Q361 PolarHBondContact ND1-NE2 3.22Å; H353-Q361 VanDerWaalsContact ND1-NE2 3.17Å; R356-Q361 PolarHBondContact O-NE2 2.96Å; R356-Q361 VanDerWaalsContact O-NE2 3.17Å; H358-Q361 HydrophobicContact CB-CB 3.95Å; H358-Q361 WeakPolarHBondContact O-CB 3.46Å; H358-Q361 PolarHBondContact O-N 2.87Å; H358-Q361 VanDerWaalsContact O-N 3.13Å; R359-Q361 VanDerWaalsContact C-N 3.29Å; R359-Q361 PolarHBondContact O-N 3.41Å; Q361-A365 WeakPolarHBondContact O-CB 3.35Å; Q361-A365 PolarHBondContact O-N 2.93Å; Q361-A365 VanDerWaalsContact O-N 3.07Å; Q361-P401 WeakPolarHBondContact CA-O 3.33Å; Q361-P401 HydrophobicContact CG-CB 3.87Å; Q361-P401 WeakPolarHBondContact CG-O 3.48Å; Q361-Q402 HydrophobicContact CG-CG 4.45Å
362I98.5Very high97.5Very high68 Ų6847.5 Ų47.535%0.34923%0.233SC..Hα-helixtrans-61.6-45.3177.3-69.9166.6000110.6H353 P357 H358 R359 A365 F366H353-I362 HydrophobicContact CB-CG1 4.16Å; P357-I362 HydrophobicContact CB-CD1 4.02Å; H358-I362 PolarHBondContact O-N 3.39Å; R359-I362 PolarHBondContact O-N 2.83Å; I362-A365 PolarHBondContact O-N 3.2Å; I362-F366 WeakPolarHBondContact O-CB 3.42Å; I362-F366 PolarHBondContact O-N 2.78Å
363E98.1Very high97.3Very high45 Ų4544.1 Ų44.121%0.2122%0.215CC..Hα-helixtrans-66.6-40.5-178175.460.2-164.900112.4R359 G360 F366 R367 R624R359-E363 PolarHBondContact O-N 2.88Å; G360-E363 PolarHBondContact O-N 3.42Å; E363-F366 WeakPolarHBondContact O-CB 3.36Å; E363-F366 PolarHBondContact O-N 3.07Å; E363-R367 VanDerWaalsContact CG-NH2 3.31Å; E363-R367 PolarHBondContact O-N 3.32Å; E363-R367 VanDerWaalsContact O-N 3.08Å; E363-R367 IonicContact OE1-CZ 3.51Å; E363-R367 VanDerWaalsContact OE1-CZ 3.28Å; E363-R367 IonicContact OE1-NE 2.98Å; E363-R367 PolarHBondContact OE1-NE 3.45Å; E363-R367 IonicContact OE1-NH2 2.71Å; E363-R367 PolarHBondContact OE1-NH2 2.98Å; E363-R624 VanDerWaalsContact CD-NH2 3.32Å; E363-R624 IonicContact OE1-NH2 3.53Å; E363-R624 PolarHBondContact OE1-NH2 3.13Å; E363-R624 IonicContact OE2-CZ 3.67Å; E363-R624 IonicContact OE2-NH1 3.6Å; E363-R624 IonicContact OE2-NH2 3.45Å; E363-R624 PolarHBondContact OE2-NH2 3.3Å
364V98.6Very high96.8Very high0 Ų044.9 Ų44.90%022%0.221CC..Hα-helixtrans-63.8-48.5174.7173.20000110.2D331 G360 F366 R367 F368 P401 H404 N408D331-V364 WeakPolarHBondContact OD1-CG1 3.47Å; G360-V364 VanDerWaalsContact O-CG2 3.3Å; G360-V364 WeakPolarHBondContact O-CG2 3.46Å; G360-V364 PolarHBondContact O-N 3.03Å; V364-F366 PolarHBondContact O-N 2.71Å; V364-R367 PolarHBondContact O-N 3.05Å; V364-F368 HydrophobicContact CG1-CD2 3.72Å; V364-F368 HydrophobicContact CG1-CE2 3.65Å; V364-F368 WeakPolarHBondContact O-CD2 3.33Å; V364-F368 PolarHBondContact O-N 2.76Å; V364-P401 HydrophobicContact CB-CB 4.49Å; V364-P401 HydrophobicContact CG1-CB 4.33Å; V364-P401 HydrophobicContact CG1-CG 4.44Å; V364-H404 HydrophobicContact CG1-CB 4.06Å; V364-H404 HydrophobicContact CG2-CB 3.77Å; V364-N408 WeakPolarHBondContact CG2-ND2 3.39Å
365A98.1Very high96.2Very high0 Ų046.8 Ų46.80%022%0.223CC..Hα-helixtrans-57.8-39.7177.900000112.3H353 Q361 I362 R367 F368 R369 P401H353-A365 HydrophobicContact CB-CB 4.42Å; H353-A365 WeakPolarHBondContact CD2-CB 3.39Å; H353-A365 WeakPolarHBondContact NE2-CB 3.11Å; Q361-A365 WeakPolarHBondContact O-CB 3.35Å; Q361-A365 PolarHBondContact O-N 2.93Å; Q361-A365 VanDerWaalsContact O-N 3.07Å; I362-A365 PolarHBondContact O-N 3.2Å; A365-R367 PolarHBondContact O-N 3.14Å; A365-F368 PolarHBondContact O-N 2.7Å; A365-R369 VanDerWaalsContact C-NH1 3.32Å; A365-R369 WeakPolarHBondContact O-CG 3.34Å; A365-R369 PolarHBondContact O-N 3.44Å; A365-R369 PolarHBondContact O-NH1 2.68Å; A365-P401 HydrophobicContact CB-CB 4.13Å; A365-P401 HydrophobicContact CB-CG 4.09Å
366F97.2Very high95.6Very high24 Ų2442.5 Ų42.511%0.10520%0.198CC..Hα-helixtrans-58-46.1173.8169-94000112.3I362 E363 V364 R369 S370 I620 Y623 R624I362-F366 WeakPolarHBondContact O-CB 3.42Å; I362-F366 PolarHBondContact O-N 2.78Å; E363-F366 WeakPolarHBondContact O-CB 3.36Å; E363-F366 PolarHBondContact O-N 3.07Å; V364-F366 PolarHBondContact O-N 2.71Å; F366-R369 PolarHBondContact O-N 3.33Å; F366-S370 PolarHBondContact O-N 2.92Å; F366-S370 PolarHBondContact O-OG 3.43Å; F366-I620 HydrophobicContact CE1-CG2 3.84Å; F366-Y623 AromaticContact CE2-CD1 3.75Å; F366-Y623 HydrophobicContact CE2-CD1 3.75Å; F366-Y623 HydrophobicContact CE2-CE1 4.24Å; F366-Y623 HydrophobicContact CZ-CD1 4.1Å; F366-R624 HydrophobicContact CE1-CB 4.37Å; F366-R624 VanDerWaalsContact CE1-CZ 3.42Å; F366-R624 HydrophobicContact CE2-CB 4.42Å; F366-R624 HydrophobicContact CZ-CB 3.64Å; F366-R624 HydrophobicContact CZ-CG 3.99Å
367R97.8Very high95.2Very high20 Ų2036.9 Ų36.98%0.07518%0.178CC..Hα-helixtrans-64.6-39.5177.2-68.8174-166.3152.22.9112.7D331 E363 V364 A365 S370 L371 I620D331-R367 HydrophobicContact CB-CB 4.43Å; D331-R367 VanDerWaalsContact OD2-CD 3.25Å; D331-R367 WeakPolarHBondContact OD2-CD 3.31Å; D331-R367 IonicContact OD2-CZ 2.86Å; D331-R367 IonicContact OD2-NE 2.75Å; D331-R367 IonicContact OD2-NH1 3.37Å; D331-R367 PolarHBondContact OD2-NH1 2.92Å; E363-R367 VanDerWaalsContact CG-NH2 3.31Å; E363-R367 PolarHBondContact O-N 3.32Å; E363-R367 VanDerWaalsContact O-N 3.08Å; E363-R367 IonicContact OE1-CZ 3.51Å; E363-R367 VanDerWaalsContact OE1-CZ 3.28Å; E363-R367 IonicContact OE1-NE 2.98Å; E363-R367 PolarHBondContact OE1-NE 3.45Å; E363-R367 IonicContact OE1-NH2 2.71Å; E363-R367 PolarHBondContact OE1-NH2 2.98Å; V364-R367 PolarHBondContact O-N 3.05Å; A365-R367 PolarHBondContact O-N 3.14Å; R367-S370 WeakPolarHBondContact CA-OG 3.47Å; R367-S370 PolarHBondContact O-N 2.61Å; R367-S370 PolarHBondContact O-OG 3.46Å; R367-L371 WeakPolarHBondContact O-CB 3.48Å; R367-L371 WeakPolarHBondContact O-CD1 3.48Å; R367-L371 WeakPolarHBondContact O-CG 3.43Å; R367-L371 PolarHBondContact O-N 2.93Å; R367-L371 VanDerWaalsContact O-N 3.08Å; R367-I620 HydrophobicContact CG-CG2 4.31Å
368F97.9Very high95Very high0 Ų037 Ų370%018%0.179CC..Hα-helixtrans-60.6-46.5173.9-88.3-101.2000111D331 A334 A335 L338 F348 V364 A365 S370 L371 L372 C400D331-F368 HydrophobicContact CB-CE2 4.15Å; A334-F368 HydrophobicContact CB-CE1 4.26Å; A334-F368 HydrophobicContact CB-CZ 3.62Å; A335-F368 HydrophobicContact CB-CD1 4.39Å; A335-F368 HydrophobicContact CB-CE1 4.35Å; L338-F368 HydrophobicContact CD1-CE1 4.42Å; F348-F368 HydrophobicContact CB-CB 4.19Å; F348-F368 HydrophobicContact CD1-CB 3.91Å; F348-F368 HydrophobicContact CD1-CD1 4.21Å; F348-F368 HydrophobicContact CD1-CG 4.06Å; F348-F368 HydrophobicContact CD2-CB 3.79Å; F348-F368 HydrophobicContact CD2-CD1 4.1Å; F348-F368 HydrophobicContact CD2-CG 4.31Å; F348-F368 HydrophobicContact CE1-CB 4.28Å; F348-F368 AromaticContact CE1-CD1 3.7Å; F348-F368 HydrophobicContact CE1-CD1 3.7Å; F348-F368 HydrophobicContact CE1-CE1 4.16Å; F348-F368 AromaticContact CE1-CG 3.97Å; F348-F368 HydrophobicContact CE1-CG 3.97Å; F348-F368 HydrophobicContact CE2-CB 4.17Å; F348-F368 AromaticContact CE2-CD1 3.58Å; F348-F368 HydrophobicContact CE2-CD1 3.58Å; F348-F368 HydrophobicContact CE2-CE1 4.38Å; F348-F368 HydrophobicContact CE2-CG 4.22Å; F348-F368 HydrophobicContact CG-CB 3.66Å; F348-F368 HydrophobicContact CG-CD1 4.4Å; F348-F368 HydrophobicContact CG-CG 4.25Å; F348-F368 HydrophobicContact CZ-CB 4.4Å; F348-F368 AromaticContact CZ-CD1 3.35Å; F348-F368 HydrophobicContact CZ-CD1 3.35Å; F348-F368 AromaticContact CZ-CE1 3.8Å; F348-F368 HydrophobicContact CZ-CE1 3.8Å; F348-F368 HydrophobicContact CZ-CG 4.05Å; V364-F368 HydrophobicContact CG1-CD2 3.72Å; V364-F368 HydrophobicContact CG1-CE2 3.65Å; V364-F368 WeakPolarHBondContact O-CD2 3.33Å; V364-F368 PolarHBondContact O-N 2.76Å; A365-F368 PolarHBondContact O-N 2.7Å; F368-S370 PolarHBondContact O-N 2.95Å; F368-L371 PolarHBondContact O-N 3.15Å; F368-L372 HydrophobicContact CB-CD1 4.29Å; F368-L372 HydrophobicContact CD1-CD1 3.69Å; F368-L372 HydrophobicContact CG-CD1 4.44Å; F368-L372 WeakPolarHBondContact O-CB 3.34Å; F368-L372 VanDerWaalsContact O-CG 3.32Å; F368-L372 WeakPolarHBondContact O-CG 3.49Å; F368-L372 PolarHBondContact O-N 3.31Å; F368-C400 HydrophobicContact CE1-CB 4.21Å; F368-C400 HydrophobicContact CE2-CB 3.81Å; F368-C400 HydrophobicContact CZ-CB 3.45Å; F368-C400 VanDerWaalsContact CZ-CB 3.45Å
369R95.4Very high94.8Very high35 Ų3532.8 Ų32.813%0.13216%0.16CC..Hα-helixtrans-59.8-46.1176.2-69.7-166.6-56.9-77.22.6112.1F348 T350 A365 F366 L371 L372 D373 E630F348-R369 HydrophobicContact CB-CG 3.92Å; F348-R369 WeakPolarHBondContact O-CD 3.29Å; F348-R369 WeakPolarHBondContact O-CG 3.48Å; F348-R369 PolarHBondContact O-NH1 2.88Å; T350-R369 PolarHBondContact OG1-NE 3.35Å; T350-R369 VanDerWaalsContact OG1-NE 3.17Å; T350-R369 PolarHBondContact OG1-NH2 3.14Å; T350-R369 VanDerWaalsContact OG1-NH2 3.15Å; A365-R369 VanDerWaalsContact C-NH1 3.32Å; A365-R369 WeakPolarHBondContact O-CG 3.34Å; A365-R369 PolarHBondContact O-N 3.44Å; A365-R369 PolarHBondContact O-NH1 2.68Å; F366-R369 PolarHBondContact O-N 3.33Å; R369-L371 PolarHBondContact O-N 3.23Å; R369-L372 PolarHBondContact O-N 3.26Å; R369-D373 WeakPolarHBondContact O-CB 3.16Å; R369-D373 PolarHBondContact O-N 3.02Å; R369-E630 WeakPolarHBondContact CD-OE1 3.28Å; R369-E630 IonicContact NE-OE1 3.77Å
370S95.8Very high94.6Very high0 Ų029.3 Ų29.30%015%0.151CC..Hα-helixtrans-67.1-25.2-178.164.90000114F366 R367 F368F366-S370 PolarHBondContact O-N 2.92Å; F366-S370 PolarHBondContact O-OG 3.43Å; R367-S370 WeakPolarHBondContact CA-OG 3.47Å; R367-S370 PolarHBondContact O-N 2.61Å; R367-S370 PolarHBondContact O-OG 3.46Å; F368-S370 PolarHBondContact O-N 2.95Å
371L96.9Very high94.3Very high0 Ų029.1 Ų29.10%015%0.15CC..Hα-helixtrans-88-29.4176.8-65.9169.8000113.3I332 A335 R367 F368 R369 T573 P575 L576 A616 I620I332-L371 HydrophobicContact CB-CD1 4.36Å; I332-L371 HydrophobicContact CG1-CD1 3.85Å; A335-L371 HydrophobicContact CB-CB 4.32Å; A335-L371 HydrophobicContact CB-CD1 4.05Å; R367-L371 WeakPolarHBondContact O-CB 3.48Å; R367-L371 WeakPolarHBondContact O-CD1 3.48Å; R367-L371 WeakPolarHBondContact O-CG 3.43Å; R367-L371 PolarHBondContact O-N 2.93Å; R367-L371 VanDerWaalsContact O-N 3.08Å; F368-L371 PolarHBondContact O-N 3.15Å; R369-L371 PolarHBondContact O-N 3.23Å; L371-T573 WeakPolarHBondContact O-CB 3.48Å; L371-T573 WeakPolarHBondContact O-CG2 3.5Å; L371-T573 PolarHBondContact O-OG1 3.37Å; L371-P575 HydrophobicContact CD2-CB 3.91Å; L371-P575 HydrophobicContact CD2-CG 4.26Å; L371-L576 HydrophobicContact CB-CD2 4.28Å; L371-L576 HydrophobicContact CD2-CD2 4.32Å; L371-A616 HydrophobicContact CD2-CB 4.13Å; L371-I620 HydrophobicContact CD2-CD1 4.19Å; L371-I620 HydrophobicContact CD2-CG1 3.99Å; L371-I620 HydrophobicContact CG-CD1 4.41Å; L371-I620 HydrophobicContact CG-CG1 4.28Å
372L94.6Very high93.9Very high5 Ų529.9 Ų29.93%0.02616%0.157CC..Hα-helixtrans-112.23.8-169.2-61.3167.1000114.2A335 L338 E339 T345 F348 F368 R369 S374 L576A335-L372 HydrophobicContact CB-CD1 4.26Å; A335-L372 HydrophobicContact CB-CD2 4.23Å; A335-L372 HydrophobicContact CB-CG 4.21Å; L338-L372 HydrophobicContact CD1-CD1 4.34Å; L338-L372 HydrophobicContact CD2-CD1 3.9Å; L338-L372 HydrophobicContact CD2-CD2 4.26Å; E339-L372 HydrophobicContact CG-CD2 3.51Å; T345-L372 HydrophobicContact CG2-CB 3.67Å; T345-L372 HydrophobicContact CG2-CD1 4.28Å; F348-L372 HydrophobicContact CD2-CD1 4.24Å; F348-L372 HydrophobicContact CE2-CD1 3.88Å; F368-L372 HydrophobicContact CB-CD1 4.29Å; F368-L372 HydrophobicContact CD1-CD1 3.69Å; F368-L372 HydrophobicContact CG-CD1 4.44Å; F368-L372 WeakPolarHBondContact O-CB 3.34Å; F368-L372 VanDerWaalsContact O-CG 3.32Å; F368-L372 WeakPolarHBondContact O-CG 3.49Å; F368-L372 PolarHBondContact O-N 3.31Å; R369-L372 PolarHBondContact O-N 3.26Å; L372-S374 PolarHBondContact O-N 3.28Å; L372-L576 HydrophobicContact CD2-CD1 3.68Å
373D91Very high93.3Very high9 Ų931 Ų315%0.04816%0.161CC..  trans-64.797.4176.7-173.1-25.2000110.5R369 D375 H376 H377 Y623 S631R369-D373 WeakPolarHBondContact O-CB 3.16Å; R369-D373 PolarHBondContact O-N 3.02Å; D373-D375 VanDerWaalsContact C-N 3.28Å; D373-D375 PolarHBondContact O-N 3.13Å; D373-D375 PolarHBondContact OD1-N 2.88Å; D373-H376 HydrophobicContact CB-CB 4.32Å; D373-H376 PolarHBondContact O-N 3.36Å; D373-H376 PolarHBondContact OD1-N 2.83Å; D373-H377 WeakPolarHBondContact O-CA 3.39Å; D373-H377 PolarHBondContact O-N 3.05Å; D373-Y623 HydrophobicContact CB-CE2 3.89Å; D373-Y623 WeakPolarHBondContact OD2-CE2 3.05Å; D373-Y623 PolarHBondContact OD2-OH 2.98Å; D373-S631 VanDerWaalsContact OD1-CB 3.23Å; D373-S631 WeakPolarHBondContact OD1-CB 3.49Å
374S87.4Confident92.7Very high18 Ų1832.1 Ų32.113%0.12617%0.173CC..THydrogen-bonded Turntrans-72-18.5-17960.40000113.9L372 H377 P378L372-S374 PolarHBondContact O-N 3.28Å; S374-H377 WeakPolarHBondContact CA-O 3.32Å; S374-H377 CarbonylContact O-C 3.51Å; S374-P378 VanDerWaalsContact O-CA 3.28Å; S374-P378 WeakPolarHBondContact O-CA 3.25Å
375D85.2Confident91.9Very high98 Ų9833.3 Ų33.352%0.52418%0.179SC..THydrogen-bonded Turntrans-78.9-34.7176.7-67.5-20.4000110.3D373 S631D373-D375 VanDerWaalsContact C-N 3.28Å; D373-D375 PolarHBondContact O-N 3.13Å; D373-D375 PolarHBondContact OD1-N 2.88Å; D375-S631 WeakPolarHBondContact OD2-CB 3.19Å; D375-S631 PolarHBondContact OD2-OG 2.83Å
376H85.9Confident90.7Very high65 Ų6536.7 Ų36.730%0.30119%0.191SC..THydrogen-bonded Turntrans-86.3-35.5175-166.172000113.4D373D373-H376 HydrophobicContact CB-CB 4.32Å; D373-H376 PolarHBondContact O-N 3.36Å; D373-H376 PolarHBondContact OD1-N 2.83Å
377H89.5Confident89.4Confident20 Ų2042.7 Ų42.79%0.09322%0.218CC..SBendtrans-126.987.8177.8-67.4-38.7000109.7D373 S374 S379 T573 P575 Y619D373-H377 WeakPolarHBondContact O-CA 3.39Å; D373-H377 PolarHBondContact O-N 3.05Å; S374-H377 WeakPolarHBondContact CA-O 3.32Å; S374-H377 CarbonylContact O-C 3.51Å; H377-S379 PolarHBondContact O-N 3.17Å; H377-T573 HydrophobicContact CB-CG2 4.21Å; H377-T573 WeakPolarHBondContact O-CG2 3.45Å; H377-P575 VanDerWaalsContact CD2-CD 3.46Å; H377-P575 WeakPolarHBondContact CD2-CD 3.2Å; H377-Y619 AromaticContact NE2-CD1 3.77Å
378P92.1Very high88.1Confident97 Ų9743.7 Ų43.763%0.6323%0.227SC*.  trans-48.7126.6-176.2-29.635.7000113S374S374-P378 VanDerWaalsContact O-CA 3.28Å; S374-P378 WeakPolarHBondContact O-CA 3.25Å
379S94.7Very high86.8Confident7 Ų751.1 Ų51.15%0.04927%0.267CS..  trans-116.7116.1173.3172.60000108.9E339 H377 I381 A382 E383E339-S379 VanDerWaalsContact CD-OG 3.26Å; E339-S379 VanDerWaalsContact OE1-CB 3.23Å; E339-S379 WeakPolarHBondContact OE1-CB 3.27Å; E339-S379 PolarHBondContact OE1-OG 3.29Å; E339-S379 PolarHBondContact OE2-OG 2.99Å; H377-S379 PolarHBondContact O-N 3.17Å; S379-I381 VanDerWaalsContact C-N 3.28Å; S379-A382 PolarHBondContact O-N 3.06Å; S379-A382 WeakPolarHBondContact OG-CB 3.42Å; S379-A382 PolarHBondContact OG-N 3.47Å; S379-E383 PolarHBondContact O-N 2.94Å
380E94.9Very high85.6Confident96 Ų9653.2 Ų53.245%0.44928%0.275SS..Hα-helixtrans-72.3-29.1176.2-59.2173.5139.700110.5E383 S384 L570 K571E380-E383 PolarHBondContact O-N 3.13Å; E380-S384 WeakPolarHBondContact O-CB 3.24Å; E380-S384 PolarHBondContact O-N 3.11Å; E380-L570 HydrophobicContact CB-CB 4.18Å; E380-L570 HydrophobicContact CB-CD2 3.97Å; E380-L570 WeakPolarHBondContact OE2-CA 3.27Å; E380-K571 PolarHBondContact N-O 3.44Å; E380-K571 WeakPolarHBondContact OE2-CB 3.46Å; E380-K571 PolarHBondContact OE2-N 2.97Å
381I92.8Very high84.4Confident0 Ų058.1 Ų58.10%031%0.305CS..Hα-helixtrans-65.1-49172.7-63.4173.2000109.8E339 K342 S379 E383 S384 H385 L567 L570 K571E339-I381 WeakPolarHBondContact O-CG2 3.48Å; K342-I381 HydrophobicContact CG-CG2 4.31Å; S379-I381 VanDerWaalsContact C-N 3.28Å; I381-E383 VanDerWaalsContact C-N 3.31Å; I381-E383 PolarHBondContact O-N 3.37Å; I381-S384 PolarHBondContact O-N 2.94Å; I381-S384 PolarHBondContact O-OG 3.35Å; I381-H385 PolarHBondContact O-ND1 3.2Å; I381-L567 HydrophobicContact CD1-CB 4.28Å; I381-L567 HydrophobicContact CD1-CD1 3.92Å; I381-L567 HydrophobicContact CG1-CB 4.49Å; I381-L567 HydrophobicContact CG1-CD1 4.34Å; I381-L567 HydrophobicContact CG2-CD1 4.04Å; I381-L570 HydrophobicContact CG1-CB 3.68Å; I381-L570 HydrophobicContact CG1-CD1 4.48Å; I381-K571 PolarHBondContact N-O 3.27Å
382A88.8Confident83.5Confident21 Ų2164.3 Ų64.317%0.17433%0.333CS..Hα-helixtrans-57.3-44.5174.300000112.1S379 S384 H385 R386S379-A382 PolarHBondContact O-N 3.06Å; S379-A382 WeakPolarHBondContact OG-CB 3.42Å; S379-A382 PolarHBondContact OG-N 3.47Å; A382-S384 PolarHBondContact O-N 2.97Å; A382-H385 VanDerWaalsContact CA-CE1 3.44Å; A382-H385 WeakPolarHBondContact CA-CE1 3.43Å; A382-H385 PolarHBondContact O-CE1 3.23Å; A382-H385 PolarHBondContact O-N 3.47Å; A382-H385 PolarHBondContact O-ND1 2.94Å; A382-R386 PolarHBondContact O-N 3.34Å
383E86.8Confident83.2Confident92 Ų9264.7 Ų64.743%0.4334%0.335SS..Hα-helixtrans-64-40179.4-168.157-143.300112.7S379 E380 I381 H385 R386S379-E383 PolarHBondContact O-N 2.94Å; E380-E383 PolarHBondContact O-N 3.13Å; I381-E383 VanDerWaalsContact C-N 3.31Å; I381-E383 PolarHBondContact O-N 3.37Å; E383-H385 PolarHBondContact O-N 3.19Å; E383-R386 VanDerWaalsContact CD-NE 3.3Å; E383-R386 WeakPolarHBondContact O-CB 3.37Å; E383-R386 PolarHBondContact O-N 3.36Å; E383-R386 VanDerWaalsContact O-N 3.16Å; E383-R386 WeakPolarHBondContact OE1-CD 3.38Å; E383-R386 IonicContact OE1-CZ 3.98Å; E383-R386 IonicContact OE1-NE 3.19Å; E383-R386 PolarHBondContact OE1-NE 3.32Å; E383-R386 IonicContact OE2-CZ 3Å; E383-R386 IonicContact OE2-NE 2.71Å; E383-R386 PolarHBondContact OE2-NE 3.47Å; E383-R386 IonicContact OE2-NH2 2.67Å; E383-R386 PolarHBondContact OE2-NH2 2.73Å
384S85.8Confident83.3Confident67 Ų6765.5 Ų65.547%0.46934%0.343SS..Hα-helixtrans-58.7-19.2-176.2750000114.4E380 I381 A382E380-S384 WeakPolarHBondContact O-CB 3.24Å; E380-S384 PolarHBondContact O-N 3.11Å; I381-S384 PolarHBondContact O-N 2.94Å; I381-S384 PolarHBondContact O-OG 3.35Å; A382-S384 PolarHBondContact O-N 2.97Å
385H80.8Confident83.7Confident26 Ų2672.5 Ų72.512%0.1237%0.368CS..THydrogen-bonded Turntrans-12610.1-177.475.3-90.5000113.9K342 G343 I381 A382 E383 F387 C388K342-H385 VanDerWaalsContact C-CE1 3.49Å; K342-H385 WeakPolarHBondContact CA-CE1 3.46Å; K342-H385 HydrophobicContact CB-CB 4.03Å; K342-H385 WeakPolarHBondContact CB-ND1 3.32Å; K342-H385 HydrophobicContact CD-CB 4.09Å; K342-H385 HydrophobicContact CG-CB 4.34Å; K342-H385 PolarHBondContact O-CD2 2.74Å; K342-H385 VanDerWaalsContact O-CD2 3.24Å; K342-H385 PolarHBondContact O-NE2 3.33Å; K342-H385 VanDerWaalsContact O-NE2 3.08Å; G343-H385 PolarHBondContact O-NE2 3.42Å; I381-H385 PolarHBondContact O-ND1 3.2Å; A382-H385 VanDerWaalsContact CA-CE1 3.44Å; A382-H385 WeakPolarHBondContact CA-CE1 3.43Å; A382-H385 PolarHBondContact O-CE1 3.23Å; A382-H385 PolarHBondContact O-N 3.47Å; A382-H385 PolarHBondContact O-ND1 2.94Å; E383-H385 PolarHBondContact O-N 3.19Å; H385-F387 PolarHBondContact O-N 2.95Å; H385-C388 WeakPolarHBondContact O-CB 3.41Å; H385-C388 PolarHBondContact O-N 2.77Å; H385-C388 PolarHBondContact O-SG 2.96Å; H385-C388 VanDerWaalsContact O-SG 3.34Å
386R73.4Confident84.3Confident70 Ų7068.9 Ų68.926%0.26435%0.35SS..THydrogen-bonded Turntrans-51.2-31-178.9-174.2-178.7-71.6-1241.4112.9A382 E383 P636A382-R386 PolarHBondContact O-N 3.34Å; E383-R386 VanDerWaalsContact CD-NE 3.3Å; E383-R386 WeakPolarHBondContact O-CB 3.37Å; E383-R386 PolarHBondContact O-N 3.36Å; E383-R386 VanDerWaalsContact O-N 3.16Å; E383-R386 WeakPolarHBondContact OE1-CD 3.38Å; E383-R386 IonicContact OE1-CZ 3.98Å; E383-R386 IonicContact OE1-NE 3.19Å; E383-R386 PolarHBondContact OE1-NE 3.32Å; E383-R386 IonicContact OE2-CZ 3Å; E383-R386 IonicContact OE2-NE 2.71Å; E383-R386 PolarHBondContact OE2-NE 3.47Å; E383-R386 IonicContact OE2-NH2 2.67Å; E383-R386 PolarHBondContact OE2-NH2 2.73Å; R386-P636 WeakPolarHBondContact O-CD 3.47Å
387F70.3Confident84.8Confident151 Ų15166 Ų6666%0.66234%0.337SS*.THydrogen-bonded Turntrans-111.325.7-179.2-59.5-75.9000115.1H385 P636H385-F387 PolarHBondContact O-N 2.95Å; F387-P636 HydrophobicContact CB-CG 4.49Å; F387-P636 HydrophobicContact CD1-CG 4.19Å
388C71.2Confident85.1Confident41 Ų4168.1 Ų68.128%0.27734%0.344SS..  trans-73.9158.1176.174.90000112.7H385 R390H385-C388 WeakPolarHBondContact O-CB 3.41Å; H385-C388 PolarHBondContact O-N 2.77Å; H385-C388 PolarHBondContact O-SG 2.96Å; H385-C388 VanDerWaalsContact O-SG 3.34Å; C388-R390 PolarHBondContact O-N 2.88Å
389D69Low85.4Confident155 Ų15565 Ų6583%0.82932%0.324SS*.SBendtrans-76.53-178.4-61.8-41.9000113.7V391D389-V391 PolarHBondContact O-N 3.45Å
390R71.8Confident85.5Confident80 Ų8064.7 Ų64.730%0.30232%0.322SS..  trans-72.9116-178.3-61-171.5-156.1165.45.2110.9L341 K342 C388 E481 T637L341-R390 PolarHBondContact O-NH1 3.5Å; K342-R390 PolarHBondContact O-NH1 2.94Å; C388-R390 PolarHBondContact O-N 2.88Å; R390-E481 IonicContact CZ-OE1 3.28Å; R390-E481 IonicContact NE-OE1 3.67Å; R390-E481 IonicContact NH2-OE1 3.53Å; R390-E481 PolarHBondContact NH2-OE1 3.34Å; R390-E481 IonicContact NH2-OE2 2.95Å; R390-E481 PolarHBondContact NH2-OE2 3.35Å; R390-T637 VanDerWaalsContact O-CG2 3.28Å; R390-T637 WeakPolarHBondContact O-CG2 3.25Å; R390-T637 PolarHBondContact O-OG1 3.38Å
391V70.8Confident85.7Confident103 Ų10360.1 Ų60.162%0.62430%0.3SS*.  trans-79.9-38.7-177.1-174.60000112.5D389 T637D389-V391 PolarHBondContact O-N 3.45Å; V391-T637 HydrophobicContact CG2-CG2 4.2Å
392Q76.9Confident86Confident130 Ų13062.7 Ų62.761%0.60731%0.312SS*.  trans-146.3145178.5-64.7-174.3-10.400110.5
393D87.9Confident86.5Confident12 Ų1263.1 Ų63.16%0.06431%0.313CS..  trans-75.2158.9165.8-65.8-36.4000111.8G343 T344 L397 R398G343-D393 VanDerWaalsContact CA-OD2 3.28Å; G343-D393 WeakPolarHBondContact CA-OD2 3.33Å; T344-D393 WeakPolarHBondContact CG2-OD2 3.22Å; T344-D393 PolarHBondContact N-OD2 2.84Å; D393-L397 HydrophobicContact CB-CB 4.2Å; D393-L397 HydrophobicContact CB-CD1 4.37Å; D393-R398 HydrophobicContact CB-CB 4.3Å; D393-R398 PolarHBondContact O-NE 3.13Å; D393-R398 PolarHBondContact O-NH2 3.43Å
394A92.7Very high87.1Confident26 Ų2658.8 Ų58.822%0.21529%0.293CS..  trans-61154.9169.300000112.4T396 L397 R398 R473A394-T396 PolarHBondContact O-N 3.35Å; A394-T396 VanDerWaalsContact O-N 3.16Å; A394-L397 PolarHBondContact O-N 3.15Å; A394-R398 PolarHBondContact O-N 3.22Å; A394-R473 VanDerWaalsContact CB-NE 3.31Å
395Y97.3Very high87.7Confident165 Ų16555.6 Ų55.665%0.64727%0.27SS*.Hα-helixtrans-60.7-30.9-174.8-66.1-1.5000113.1L397 R398 C399Y395-L397 PolarHBondContact O-N 2.96Å; Y395-L397 VanDerWaalsContact O-N 3.13Å; Y395-R398 VanDerWaalsContact CE1-NH2 3.33Å; Y395-R398 PolarHBondContact O-N 3.45Å; Y395-C399 WeakPolarHBondContact O-CA 3.5Å; Y395-C399 WeakPolarHBondContact O-CB 3.28Å; Y395-C399 PolarHBondContact O-N 3.3Å
396T96.6Very high88.5Confident23 Ų2358 Ų5814%0.14129%0.287CS..Hα-helixtrans-62.8-20.317955.90000113.5A394 C400 R469 R470 R473A394-T396 PolarHBondContact O-N 3.35Å; A394-T396 VanDerWaalsContact O-N 3.16Å; T396-C400 PolarHBondContact O-SG 3.44Å; T396-R469 HydrophobicContact CG2-CB 3.39Å; T396-R469 HydrophobicContact CG2-CG 4.25Å; T396-R470 VanDerWaalsContact O-CD 3.3Å; T396-R470 WeakPolarHBondContact O-CD 3.45Å; T396-R470 WeakPolarHBondContact O-CG 3.15Å; T396-R470 PolarHBondContact O-NH1 3.44Å; T396-R473 VanDerWaalsContact OG1-CD 3.27Å; T396-R473 WeakPolarHBondContact OG1-CD 3.43Å; T396-R473 PolarHBondContact OG1-NE 2.97Å
397L96.2Very high89.8Confident5 Ų554.8 Ų54.83%0.02628%0.275CS..Hα-helixtrans-103.5-49.5174.4-56.7177.2000110.8T337 L341 D393 A394 Y395 C400 R470T337-L397 HydrophobicContact CG2-CD2 4.2Å; L341-L397 HydrophobicContact CB-CD1 4.11Å; L341-L397 HydrophobicContact CD1-CD1 3.99Å; L341-L397 HydrophobicContact CD1-CD2 4.06Å; D393-L397 HydrophobicContact CB-CB 4.2Å; D393-L397 HydrophobicContact CB-CD1 4.37Å; A394-L397 PolarHBondContact O-N 3.15Å; Y395-L397 PolarHBondContact O-N 2.96Å; Y395-L397 VanDerWaalsContact O-N 3.13Å; L397-C400 PolarHBondContact O-SG 2.96Å; L397-R470 HydrophobicContact CD2-CG 4.04Å
398R96.3Very high91.1Very high63 Ų6348.9 Ų48.924%0.23825%0.25CS..Hα-helixtrans-73.6-31.7-173.1176.915657.896.6-9.8114.1A347 D393 A394 Y395A347-R398 HydrophobicContact CB-CB 4.31Å; A347-R398 HydrophobicContact CB-CG 3.73Å; D393-R398 HydrophobicContact CB-CB 4.3Å; D393-R398 PolarHBondContact O-NE 3.13Å; D393-R398 PolarHBondContact O-NH2 3.43Å; A394-R398 PolarHBondContact O-N 3.22Å; Y395-R398 VanDerWaalsContact CE1-NH2 3.33Å; Y395-R398 PolarHBondContact O-N 3.45Å
399C98.2Very high92.4Very high31 Ų3148.9 Ų48.921%0.20925%0.247CC..THydrogen-bonded Turntrans-94.310.9-176.3-57.40000113.2Y395 Q402 V403Y395-C399 WeakPolarHBondContact O-CA 3.5Å; Y395-C399 WeakPolarHBondContact O-CB 3.28Å; Y395-C399 PolarHBondContact O-N 3.3Å; C399-Q402 VanDerWaalsContact C-OE1 3.28Å; C399-Q402 PolarHBondContact O-N 3.48Å; C399-Q402 VanDerWaalsContact O-N 3.13Å; C399-Q402 PolarHBondContact O-OE1 3.35Å; C399-V403 HydrophobicContact CB-CG2 4.48Å; C399-V403 WeakPolarHBondContact O-CG2 3.4Å; C399-V403 PolarHBondContact O-N 3.1Å
400C98.5Very high93.8Very high1 Ų142.8 Ų42.81%0.00722%0.216CC..Hα-helixtrans-52.4-46.5177.2-71.30000112.6F368 T396 L397 Q402 V403 H404 R470F368-C400 HydrophobicContact CE1-CB 4.21Å; F368-C400 HydrophobicContact CE2-CB 3.81Å; F368-C400 HydrophobicContact CZ-CB 3.45Å; F368-C400 VanDerWaalsContact CZ-CB 3.45Å; T396-C400 PolarHBondContact O-SG 3.44Å; L397-C400 PolarHBondContact O-SG 2.96Å; C400-Q402 VanDerWaalsContact C-N 3.3Å; C400-Q402 PolarHBondContact O-N 2.88Å; C400-V403 PolarHBondContact O-N 3.08Å; C400-H404 VanDerWaalsContact O-CB 3.26Å; C400-H404 WeakPolarHBondContact O-CB 3.43Å; C400-H404 PolarHBondContact O-N 2.97Å; C400-R470 PolarHBondContact SG-NH1 3.27Å
401P98.7Very high95.1Very high0 Ų039.4 Ų39.40%020%0.204CC..Hα-helixtrans-57.1-41.5176.7-26.535000113.7F348 Q361 V364 A365 G405F348-P401 HydrophobicContact CD1-CG 3.58Å; F348-P401 HydrophobicContact CE1-CG 3.9Å; Q361-P401 WeakPolarHBondContact CA-O 3.33Å; Q361-P401 HydrophobicContact CG-CB 3.87Å; Q361-P401 WeakPolarHBondContact CG-O 3.48Å; V364-P401 HydrophobicContact CB-CB 4.49Å; V364-P401 HydrophobicContact CG1-CB 4.33Å; V364-P401 HydrophobicContact CG1-CG 4.44Å; A365-P401 HydrophobicContact CB-CB 4.13Å; A365-P401 HydrophobicContact CB-CG 4.09Å; P401-G405 WeakPolarHBondContact O-CA 3.26Å; P401-G405 PolarHBondContact O-N 3.21Å
402Q98.8Very high96.5Very high54 Ų5435.5 Ų35.525%0.25218%0.182SC..Hα-helixtrans-71.1-43.8-177.3-65.175.94.300110.9Q361 C399 C400 V406Q361-Q402 HydrophobicContact CG-CG 4.45Å; C399-Q402 VanDerWaalsContact C-OE1 3.28Å; C399-Q402 PolarHBondContact O-N 3.48Å; C399-Q402 VanDerWaalsContact O-N 3.13Å; C399-Q402 PolarHBondContact O-OE1 3.35Å; C400-Q402 VanDerWaalsContact C-N 3.3Å; C400-Q402 PolarHBondContact O-N 2.88Å; Q402-V406 PolarHBondContact O-N 3.38Å
403V98.8Very high97.5Very high31 Ų3134 Ų3419%0.18817%0.174CC..Hα-helixtrans-77.8-53-176.2177.60000111.2C399 C400 G405 V406 V407 E462 I466C399-V403 HydrophobicContact CB-CG2 4.48Å; C399-V403 WeakPolarHBondContact O-CG2 3.4Å; C399-V403 PolarHBondContact O-N 3.1Å; C400-V403 PolarHBondContact O-N 3.08Å; V403-G405 PolarHBondContact O-N 3.01Å; V403-V406 VanDerWaalsContact O-CG1 3.25Å; V403-V406 WeakPolarHBondContact O-CG1 3.37Å; V403-V407 WeakPolarHBondContact O-CG2 3.46Å; V403-E462 HydrophobicContact CG1-CB 3.98Å; V403-I466 HydrophobicContact CB-CD1 3.91Å; V403-I466 HydrophobicContact CG1-CB 4.28Å; V403-I466 HydrophobicContact CG1-CD1 4.03Å; V403-I466 HydrophobicContact CG1-CG2 4.15Å; V403-I466 HydrophobicContact CG2-CD1 3.98Å
404H98.9Very high98Very high1 Ų133.5 Ų33.51%0.00517%0.171CC..Hα-helixtrans-67.2-28.3176.5-63.9-161000111.3D331 V364 C400 V407 N408 L463 R470D331-H404 IonicContact OD1-CE1 2.67Å; D331-H404 IonicContact OD1-CG 3.77Å; D331-H404 IonicContact OD1-ND1 2.67Å; D331-H404 PolarHBondContact OD1-ND1 3.32Å; V364-H404 HydrophobicContact CG1-CB 4.06Å; V364-H404 HydrophobicContact CG2-CB 3.77Å; C400-H404 VanDerWaalsContact O-CB 3.26Å; C400-H404 WeakPolarHBondContact O-CB 3.43Å; C400-H404 PolarHBondContact O-N 2.97Å; H404-V407 WeakPolarHBondContact O-CB 3.45Å; H404-V407 PolarHBondContact O-N 2.84Å; H404-N408 PolarHBondContact O-N 3.14Å; H404-N408 PolarHBondContact O-ND2 3.18Å; H404-L463 HydrophobicContact CB-CD2 3.98Å; H404-L463 VanDerWaalsContact CD2-CD2 3.49Å; H404-L463 WeakPolarHBondContact CD2-CD2 3.4Å; H404-R470 PolarHBondContact NE2-NH1 3.09Å
405G98.8Very high98.3Very high0 Ų035.3 Ų35.30%017%0.174CC..Hα-helixtrans-63.4-46.9179.500000113.1G360 P401 V403 V407 N408 D409G360-G405 WeakPolarHBondContact CA-O 3.4Å; G360-G405 WeakPolarHBondContact O-CA 3.42Å; P401-G405 WeakPolarHBondContact O-CA 3.26Å; P401-G405 PolarHBondContact O-N 3.21Å; V403-G405 PolarHBondContact O-N 3.01Å; G405-V407 PolarHBondContact O-N 2.99Å; G405-N408 PolarHBondContact O-N 3.05Å; G405-D409 PolarHBondContact O-N 3.36Å
406V98.7Very high98.4Very high77 Ų7732.5 Ų32.547%0.46717%0.17SC..Hα-helixtrans-64.2-32.617666.20000111.5Q402 V403 D409 T410Q402-V406 PolarHBondContact O-N 3.38Å; V403-V406 VanDerWaalsContact O-CG1 3.25Å; V403-V406 WeakPolarHBondContact O-CG1 3.37Å; V406-D409 PolarHBondContact O-N 3.11Å; V406-T410 WeakPolarHBondContact O-CB 3.41Å; V406-T410 PolarHBondContact O-N 3.36Å; V406-T410 PolarHBondContact O-OG1 3.4Å; V406-T410 VanDerWaalsContact O-OG1 3.04Å
407V98.9Very high98.5Very high1 Ų133 Ų331%0.00617%0.172CC..Hα-helixtrans-60.7-47.2173.3-1760000111.4V403 H404 G405 D409 T410 I411 G459 I460 E462 L463V403-V407 WeakPolarHBondContact O-CG2 3.46Å; H404-V407 WeakPolarHBondContact O-CB 3.45Å; H404-V407 PolarHBondContact O-N 2.84Å; G405-V407 PolarHBondContact O-N 2.99Å; V407-D409 VanDerWaalsContact C-N 3.31Å; V407-D409 PolarHBondContact O-N 3.13Å; V407-T410 PolarHBondContact O-N 3.22Å; V407-I411 HydrophobicContact CG1-CD1 3.97Å; V407-I411 HydrophobicContact CG1-CG1 4.45Å; V407-I411 VanDerWaalsContact O-CG1 3.31Å; V407-I411 WeakPolarHBondContact O-CG1 3.18Å; V407-I411 PolarHBondContact O-N 2.84Å; V407-G459 WeakPolarHBondContact CG2-O 3.46Å; V407-I460 HydrophobicContact CG1-CD1 3.57Å; V407-E462 HydrophobicContact CG2-CB 4.1Å; V407-L463 HydrophobicContact CB-CD2 4.26Å; V407-L463 HydrophobicContact CB-CG 4.39Å; V407-L463 HydrophobicContact CG1-CD1 4.07Å; V407-L463 HydrophobicContact CG1-CD2 4.39Å; V407-L463 HydrophobicContact CG1-CG 4.04Å; V407-L463 HydrophobicContact CG2-CD2 3.9Å; V407-L463 HydrophobicContact CG2-CG 4.04Å
408N98.7Very high98.6Very high28 Ų2832.8 Ų32.815%0.1517%0.17CC..Hα-helixtrans-60.6-40.1176.5-74.7-40.2000112.2V364 H404 G405 A412V364-N408 WeakPolarHBondContact CG2-ND2 3.39Å; H404-N408 PolarHBondContact O-N 3.14Å; H404-N408 PolarHBondContact O-ND2 3.18Å; G405-N408 PolarHBondContact O-N 3.05Å; N408-A412 PolarHBondContact O-N 3.06Å; N408-A412 VanDerWaalsContact O-N 3.11Å
409D98.8Very high98.7Very high41 Ų4132 Ų3222%0.21917%0.173CC..Hα-helixtrans-68.5-39.2177.2-71.3-30.8000111.7G360 G405 V406 V407 A412 F413G360-D409 PolarHBondContact N-OD1 3.12Å; G360-D409 PolarHBondContact N-OD2 2.9Å; G405-D409 PolarHBondContact O-N 3.36Å; V406-D409 PolarHBondContact O-N 3.11Å; V407-D409 VanDerWaalsContact C-N 3.31Å; V407-D409 PolarHBondContact O-N 3.13Å; D409-A412 PolarHBondContact O-N 3.38Å; D409-F413 WeakPolarHBondContact O-CB 3.46Å; D409-F413 PolarHBondContact O-N 3.05Å
410T98.9Very high98.7Very high27 Ų2736.1 Ų36.117%0.16619%0.191CC..Hα-helixtrans-63.5-45.6173.7-63.20000112V406 V407 A412 F413 V414 Y455V406-T410 WeakPolarHBondContact O-CB 3.41Å; V406-T410 PolarHBondContact O-N 3.36Å; V406-T410 PolarHBondContact O-OG1 3.4Å; V406-T410 VanDerWaalsContact O-OG1 3.04Å; V407-T410 PolarHBondContact O-N 3.22Å; T410-A412 VanDerWaalsContact C-N 3.3Å; T410-A412 PolarHBondContact O-N 3.39Å; T410-F413 PolarHBondContact O-N 2.92Å; T410-V414 HydrophobicContact CG2-CG2 4.32Å; T410-V414 WeakPolarHBondContact O-CG2 3.38Å; T410-V414 PolarHBondContact O-N 3.25Å; T410-Y455 WeakPolarHBondContact CG2-O 3.34Å
411I98.9Very high98.7Very high9 Ų937 Ų375%0.04620%0.196CC..Hα-helixtrans-57.4-46176.2-69.8164.4000110.2A323 S324 A327 V407 V414 K415 L456 I460A323-I411 HydrophobicContact CB-CD1 4.02Å; A323-I411 HydrophobicContact CB-CG1 4.06Å; S324-I411 VanDerWaalsContact OG-CG2 3.25Å; S324-I411 WeakPolarHBondContact OG-CG2 3.48Å; A327-I411 HydrophobicContact CB-CD1 3.72Å; V407-I411 HydrophobicContact CG1-CD1 3.97Å; V407-I411 HydrophobicContact CG1-CG1 4.45Å; V407-I411 VanDerWaalsContact O-CG1 3.31Å; V407-I411 WeakPolarHBondContact O-CG1 3.18Å; V407-I411 PolarHBondContact O-N 2.84Å; I411-V414 PolarHBondContact O-N 3.46Å; I411-K415 VanDerWaalsContact O-CB 3.27Å; I411-K415 WeakPolarHBondContact O-CB 3.24Å; I411-K415 PolarHBondContact O-N 3.41Å; I411-L456 HydrophobicContact CG1-CD1 3.89Å; I411-I460 HydrophobicContact CD1-CD1 4.14Å
412A98.7Very high98.6Very high21 Ų2137 Ų3717%0.17420%0.196CC..Hα-helixtrans-64-42.3179.100000112.4N408 D409 T410 K415 N416N408-A412 PolarHBondContact O-N 3.06Å; N408-A412 VanDerWaalsContact O-N 3.11Å; D409-A412 PolarHBondContact O-N 3.38Å; T410-A412 VanDerWaalsContact C-N 3.3Å; T410-A412 PolarHBondContact O-N 3.39Å; A412-K415 PolarHBondContact O-N 3.41Å; A412-N416 VanDerWaalsContact O-CG 3.26Å; A412-N416 PolarHBondContact O-N 2.64Å; A412-N416 VanDerWaalsContact O-N 3.13Å; A412-N416 PolarHBondContact O-ND2 2.9Å; A412-N416 PolarHBondContact O-OD1 3.14Å
413F98.8Very high98.6Very high99 Ų9935.4 Ų35.443%0.43419%0.189SC..Hα-helixtrans-59.5-47.6175.4167.5-106.2000112D409 T410 N416 I417 Y455D409-F413 WeakPolarHBondContact O-CB 3.46Å; D409-F413 PolarHBondContact O-N 3.05Å; T410-F413 PolarHBondContact O-N 2.92Å; F413-N416 PolarHBondContact O-N 3.29Å; F413-I417 HydrophobicContact CE1-CD1 3.95Å; F413-I417 HydrophobicContact CE2-CD1 3.98Å; F413-I417 HydrophobicContact CZ-CD1 3.57Å; F413-I417 PolarHBondContact O-N 3.21Å; F413-Y455 AromaticContact CE1-CD2 3.68Å; F413-Y455 HydrophobicContact CE1-CD2 3.68Å; F413-Y455 HydrophobicContact CE1-CE2 4.16Å; F413-Y455 HydrophobicContact CZ-CD2 4.48Å
414V98.8Very high98.6Very high0 Ų035.5 Ų35.50%019%0.191CC..Hα-helixtrans-67.9-40.9179.5172.30000111.4I320 T410 I411 N416 I417 I418 A452 L456I320-V414 HydrophobicContact CD1-CG1 4.11Å; I320-V414 HydrophobicContact CG1-CG1 4.05Å; T410-V414 HydrophobicContact CG2-CG2 4.32Å; T410-V414 WeakPolarHBondContact O-CG2 3.38Å; T410-V414 PolarHBondContact O-N 3.25Å; I411-V414 PolarHBondContact O-N 3.46Å; V414-N416 PolarHBondContact O-N 3.22Å; V414-I417 PolarHBondContact O-N 3.02Å; V414-I417 VanDerWaalsContact O-N 3.14Å; V414-I418 HydrophobicContact CG1-CG1 4.14Å; V414-I418 PolarHBondContact O-N 2.77Å; V414-A452 HydrophobicContact CG1-CB 4.02Å; V414-A452 HydrophobicContact CG2-CB 4.34Å; V414-A452 WeakPolarHBondContact CG2-O 3.35Å; V414-L456 HydrophobicContact CG1-CB 4.19Å; V414-L456 HydrophobicContact CG1-CD2 4.32Å; V414-L456 HydrophobicContact CG2-CB 4.13Å
415K98.7Very high98.5Very high64 Ų6436 Ų3628%0.27820%0.195SC..Hα-helixtrans-56.7-39.2175.8-175.5162.5-179.6146.70111.7T123 I320 E321 I411 A412 T419T123-K415 WeakPolarHBondContact OG1-CE 3.43Å; T123-K415 PolarHBondContact OG1-NZ 2.88Å; I320-K415 HydrophobicContact CD1-CB 4.41Å; I320-K415 HydrophobicContact CG2-CB 3.84Å; I320-K415 HydrophobicContact CG2-CD 3.75Å; I320-K415 HydrophobicContact CG2-CG 3.88Å; E321-K415 IonicContact OE1-NZ 3.02Å; E321-K415 PolarHBondContact OE1-NZ 2.83Å; E321-K415 IonicContact OE2-NZ 3.58Å; I411-K415 VanDerWaalsContact O-CB 3.27Å; I411-K415 WeakPolarHBondContact O-CB 3.24Å; I411-K415 PolarHBondContact O-N 3.41Å; A412-K415 PolarHBondContact O-N 3.41Å; K415-T419 VanDerWaalsContact O-CB 3.23Å; K415-T419 WeakPolarHBondContact O-CB 3.11Å; K415-T419 PolarHBondContact O-N 3.44Å; K415-T419 PolarHBondContact O-OG1 3.4Å
416N98.5Very high98.3Very high106 Ų10636.1 Ų36.157%0.56720%0.196SC*.Hα-helixtrans-62.6-47.5176.2-67.9-17.9000112.1A412 F413 V414 T419 I420A412-N416 VanDerWaalsContact O-CG 3.26Å; A412-N416 PolarHBondContact O-N 2.64Å; A412-N416 VanDerWaalsContact O-N 3.13Å; A412-N416 PolarHBondContact O-ND2 2.9Å; A412-N416 PolarHBondContact O-OD1 3.14Å; F413-N416 PolarHBondContact O-N 3.29Å; V414-N416 PolarHBondContact O-N 3.22Å; N416-T419 PolarHBondContact O-N 2.62Å; N416-I420 WeakPolarHBondContact O-CG1 3.33Å; N416-I420 PolarHBondContact O-N 2.83Å
417I98.7Very high98Very high34 Ų3432.5 Ų32.517%0.17417%0.174CC..Hα-helixtrans-62.7-49179.7-65.4175.5000110.7F413 V414 T419 I420 E421 A452F413-I417 HydrophobicContact CE1-CD1 3.95Å; F413-I417 HydrophobicContact CE2-CD1 3.98Å; F413-I417 HydrophobicContact CZ-CD1 3.57Å; F413-I417 PolarHBondContact O-N 3.21Å; V414-I417 PolarHBondContact O-N 3.02Å; V414-I417 VanDerWaalsContact O-N 3.14Å; I417-T419 VanDerWaalsContact C-N 3.32Å; I417-T419 PolarHBondContact O-N 3.27Å; I417-I420 PolarHBondContact O-N 2.96Å; I417-E421 PolarHBondContact O-N 3.43Å; I417-A452 HydrophobicContact CB-CB 4.14Å; I417-A452 HydrophobicContact CD1-CB 4.06Å; I417-A452 HydrophobicContact CG2-CB 3.95Å
418I98.6Very high97.7Very high0 Ų032.6 Ų32.60%017%0.174CC..Hα-helixtrans-66.4-34.3-178.6-64.3-59.8000111.6T123 T313 I320 V414 I420 E421 L422 P449 L453T123-I418 HydrophobicContact CG2-CG2 4.24Å; T313-I418 HydrophobicContact CG2-CG2 4.22Å; I320-I418 HydrophobicContact CD1-CB 3.44Å; I320-I418 VanDerWaalsContact CD1-CB 3.44Å; I320-I418 HydrophobicContact CD1-CG1 3.55Å; I320-I418 HydrophobicContact CD1-CG2 3.66Å; V414-I418 HydrophobicContact CG1-CG1 4.14Å; V414-I418 PolarHBondContact O-N 2.77Å; I418-I420 VanDerWaalsContact C-N 3.31Å; I418-I420 PolarHBondContact O-N 3.04Å; I418-E421 PolarHBondContact O-N 3.13Å; I418-L422 WeakPolarHBondContact O-CB 3.24Å; I418-L422 PolarHBondContact O-N 2.94Å; I418-P449 HydrophobicContact CD1-CB 3.61Å; I418-L453 HydrophobicContact CD1-CG 4.5Å
419T98.4Very high97.4Very high47 Ų4731.3 Ų31.329%0.28817%0.168SC..Hα-helixtrans-64.7-35.6176.1-59.10000112K415 N416 I417 N423K415-T419 VanDerWaalsContact O-CB 3.23Å; K415-T419 WeakPolarHBondContact O-CB 3.11Å; K415-T419 PolarHBondContact O-N 3.44Å; K415-T419 PolarHBondContact O-OG1 3.4Å; N416-T419 PolarHBondContact O-N 2.62Å; I417-T419 VanDerWaalsContact C-N 3.32Å; I417-T419 PolarHBondContact O-N 3.27Å; T419-N423 PolarHBondContact O-ND2 3.04Å
420I98.7Very high97.3Very high117 Ų11730.1 Ų30.160%0.616%0.161SC*.Hα-helixtrans-67.7-49173.4-66.7165000109.9N416 I417 I418 L422 N423 S424N416-I420 WeakPolarHBondContact O-CG1 3.33Å; N416-I420 PolarHBondContact O-N 2.83Å; I417-I420 PolarHBondContact O-N 2.96Å; I418-I420 VanDerWaalsContact C-N 3.31Å; I418-I420 PolarHBondContact O-N 3.04Å; I420-L422 VanDerWaalsContact C-N 3.32Å; I420-L422 PolarHBondContact O-N 3.17Å; I420-N423 CarbonylContact O-C 3.53Å; I420-N423 PolarHBondContact O-N 3.41Å; I420-N423 VanDerWaalsContact O-N 3.14Å; I420-S424 PolarHBondContact O-N 3.35Å; I420-S424 PolarHBondContact O-OG 3.48Å
421E98.2Very high97.2Very high20 Ų2028.8 Ų28.89%0.09315%0.153CC..Hα-helixtrans-59.5-42.5-179.4-168.669.7-170.500111.9T309 T313 I417 I418 N423 S424 P449T309-E421 WeakPolarHBondContact CB-OE1 3.5Å; T309-E421 WeakPolarHBondContact CG2-OE1 3.42Å; T309-E421 PolarHBondContact OG1-OE1 2.73Å; T313-E421 HydrophobicContact CG2-CB 4.25Å; T313-E421 HydrophobicContact CG2-CG 4.09Å; T313-E421 WeakPolarHBondContact OG1-CG 3.41Å; I417-E421 PolarHBondContact O-N 3.43Å; I418-E421 PolarHBondContact O-N 3.13Å; E421-N423 PolarHBondContact O-N 3.14Å; E421-N423 VanDerWaalsContact O-N 3.13Å; E421-S424 WeakPolarHBondContact O-CB 3.1Å; E421-S424 PolarHBondContact O-N 3.12Å; E421-P449 HydrophobicContact CG-CB 4.28Å; E421-P449 HydrophobicContact CG-CG 4.02Å
422L97Very high97.2Very high0 Ų031 Ų310%016%0.162CC..Hα-helixtrans-54.4-30.6177.2-179.172.9000113.3L121 T122 T123 L126 L213 N216 T313 I418 I420L121-L422 HydrophobicContact CB-CD2 4.33Å; L121-L422 HydrophobicContact CB-CG 4.42Å; L121-L422 HydrophobicContact CD2-CD1 4.09Å; L121-L422 HydrophobicContact CD2-CG 4.35Å; L121-L422 HydrophobicContact CG-CD2 4.24Å; L121-L422 HydrophobicContact CG-CG 4.43Å; L121-L422 WeakPolarHBondContact O-CD2 3.34Å; T122-L422 VanDerWaalsContact C-CD2 3.46Å; T123-L422 HydrophobicContact CG2-CD2 4.49Å; L126-L422 HydrophobicContact CD2-CD1 3.79Å; L213-L422 HydrophobicContact CD1-CD1 3.44Å; L213-L422 VanDerWaalsContact CD1-CD1 3.44Å; L213-L422 HydrophobicContact CD1-CG 4.26Å; L213-L422 VanDerWaalsContact CD1-O 3.32Å; L213-L422 WeakPolarHBondContact CD1-O 3.37Å; L213-L422 HydrophobicContact CD2-CD1 4.07Å; L213-L422 HydrophobicContact CG-CD1 4.31Å; N216-L422 PolarHBondContact ND2-O 3.48Å; N216-L422 VanDerWaalsContact ND2-O 3.1Å; T313-L422 HydrophobicContact CG2-CB 4.21Å; T313-L422 HydrophobicContact CG2-CD1 4.39Å; I418-L422 WeakPolarHBondContact O-CB 3.24Å; I418-L422 PolarHBondContact O-N 2.94Å; I420-L422 VanDerWaalsContact C-N 3.32Å; I420-L422 PolarHBondContact O-N 3.17Å
423N98.4Very high97.1Very high21 Ų2131.6 Ų31.611%0.11217%0.167CC..THydrogen-bonded Turntrans-114.421.6-177.4-63.9-64.9000112.2D119 S120 L121 N216 K220 T419 I420 E421D119-N423 VanDerWaalsContact C-OD1 3.27Å; D119-N423 VanDerWaalsContact O-CG 3.29Å; D119-N423 PolarHBondContact O-OD1 2.79Å; S120-N423 PolarHBondContact N-OD1 2.97Å; L121-N423 WeakPolarHBondContact CB-OD1 3.47Å; L121-N423 PolarHBondContact N-OD1 2.8Å; L121-N423 PolarHBondContact O-ND2 3.33Å; N216-N423 PolarHBondContact ND2-OD1 2.96Å; K220-N423 VanDerWaalsContact CE-O 3.29Å; K220-N423 WeakPolarHBondContact CE-O 3.09Å; K220-N423 PolarHBondContact NZ-O 3.08Å; T419-N423 PolarHBondContact O-ND2 3.04Å; I420-N423 CarbonylContact O-C 3.53Å; I420-N423 PolarHBondContact O-N 3.41Å; I420-N423 VanDerWaalsContact O-N 3.14Å; E421-N423 PolarHBondContact O-N 3.14Å; E421-N423 VanDerWaalsContact O-N 3.13Å
424S97.9Very high97Very high33 Ų3332.6 Ų32.623%0.23119%0.186CC..SBendtrans-99.5152.1179-70.70000112.3I420 E421 T426I420-S424 PolarHBondContact O-N 3.35Å; I420-S424 PolarHBondContact O-OG 3.48Å; E421-S424 WeakPolarHBondContact O-CB 3.1Å; E421-S424 PolarHBondContact O-N 3.12Å; S424-T426 PolarHBondContact O-N 3.43Å
425A96.6Very high96.8Very high10 Ų1039.7 Ų39.78%0.08321%0.213CC..  trans-85.6102.9167.400000109.7K220 Y222 M430 N443K220-A425 HydrophobicContact CD-CB 3.95Å; Y222-A425 HydrophobicContact CD2-CB 4.44Å; A425-M430 HydrophobicContact CB-CE 3.45Å; A425-M430 VanDerWaalsContact CB-CE 3.45Å; A425-M430 HydrophobicContact CB-SD 4.1Å; A425-N443 WeakPolarHBondContact O-CB 3.49Å; A425-N443 PolarHBondContact O-ND2 2.85Å; A425-N443 VanDerWaalsContact O-ND2 3.09Å
426T95.5Very high96.6Very high3 Ų339.1 Ų39.12%0.01823%0.225CC..  trans-103.519.9-175.356.40000113.4G308 Q310 S424 N443 F444G308-T426 WeakPolarHBondContact CA-O 3.49Å; Q310-T426 PolarHBondContact NE2-OG1 3.27Å; Q310-T426 VanDerWaalsContact NE2-OG1 3.08Å; S424-T426 PolarHBondContact O-N 3.43Å; T426-N443 WeakPolarHBondContact CA-O 3.3Å; T426-N443 WeakPolarHBondContact CB-O 3.22Å; T426-N443 WeakPolarHBondContact CG2-O 3.28Å; T426-F444 VanDerWaalsContact O-CA 3.27Å; T426-F444 WeakPolarHBondContact O-CA 3.24Å; T426-F444 WeakPolarHBondContact O-CB 3.39Å
427D92.8Very high96.4Very high1 Ų137 Ų371%0.00521%0.212CC..  trans-90.1167.9179.9-159.2-20.9000111.8R214 S223 K300 A304 M430R214-D427 IonicContact NH2-OD2 2.83Å; R214-D427 PolarHBondContact NH2-OD2 3.24Å; S223-D427 WeakPolarHBondContact CB-OD2 3.38Å; S223-D427 PolarHBondContact OG-OD2 2.9Å; K300-D427 IonicContact NZ-OD1 2.73Å; K300-D427 IonicContact NZ-OD2 3.59Å; A304-D427 WeakPolarHBondContact CA-OD2 3.31Å; D427-M430 VanDerWaalsContact O-SD 3.35Å
428N92.3Very high96.2Very high3 Ų337 Ų372%0.01621%0.213CC..SBendtrans-153.8140.6169.5-172.370.3000112L303 N307 S440 G441 F444L303-N428 VanDerWaalsContact CD2-O 3.28Å; L303-N428 WeakPolarHBondContact CD2-O 3.41Å; N307-N428 PolarHBondContact ND2-N 3.14Å; N307-N428 PolarHBondContact ND2-O 2.87Å; N307-N428 VanDerWaalsContact ND2-O 3.15Å; N428-S440 PolarHBondContact ND2-OG 3.41Å; N428-S440 VanDerWaalsContact OD1-CA 3.28Å; N428-S440 WeakPolarHBondContact OD1-CA 3.1Å; N428-S440 PolarHBondContact OD1-OG 3.33Å; N428-G441 PolarHBondContact OD1-N 2.89Å; N428-G441 PolarHBondContact OD1-O 3.3Å; N428-F444 HydrophobicContact CB-CD1 3.32Å; N428-F444 HydrophobicContact CB-CE1 3.46Å; N428-F444 VanDerWaalsContact CB-CE1 3.46Å
429P93.3Very high96Very high2 Ų239.9 Ų39.91%0.01323%0.229CC..SBendcis-70152.1-6.731.8-33.7000111.5Y164 K300Y164-P429 HydrophobicContact CD1-CG 4.49Å; Y164-P429 WeakPolarHBondContact O-CG 3.37Å; K300-P429 VanDerWaalsContact CE-O 3.26Å; K300-P429 WeakPolarHBondContact CE-O 3.38Å; K300-P429 PolarHBondContact NZ-O 3.13Å
430M96Very high95.7Very high15 Ų1541.4 Ų41.47%0.07424%0.241CC..EExtended strand (participates in β ladder)trans-79136177.6-70.9-64.3-72.500110.1Y222 A425 D427 F432 T438 I439Y222-M430 HydrophobicContact CD1-CE 4.08Å; Y222-M430 HydrophobicContact CG-CE 3.9Å; A425-M430 HydrophobicContact CB-CE 3.45Å; A425-M430 VanDerWaalsContact CB-CE 3.45Å; A425-M430 HydrophobicContact CB-SD 4.1Å; D427-M430 VanDerWaalsContact O-SD 3.35Å; M430-F432 HydrophobicContact CB-CD2 4.32Å; M430-F432 HydrophobicContact CB-CE2 3.58Å; M430-F432 HydrophobicContact CB-CZ 4.06Å; M430-T438 CarbonylContact O-C 3.58Å; M430-T438 WeakPolarHBondContact O-CA 3.41Å; M430-I439 PolarHBondContact N-O 3.42Å; M430-I439 PolarHBondContact O-N 2.73Å
431V97.4Very high95.5Very high0 Ų037.7 Ų37.70%023%0.232CC..EExtended strand (participates in β ladder)trans-106.2112.8-178.5-172.80000110.1S149 V152 I153 Y222 K300 T438S149-V431 WeakPolarHBondContact O-CG1 3.23Å; S149-V431 WeakPolarHBondContact OG-CB 3.46Å; S149-V431 WeakPolarHBondContact OG-CG1 3.47Å; V152-V431 HydrophobicContact CB-CG1 3.89Å; V152-V431 HydrophobicContact CG1-CG1 4.02Å; V152-V431 HydrophobicContact CG2-CG1 4.42Å; I153-V431 HydrophobicContact CD1-CB 4.49Å; I153-V431 HydrophobicContact CD1-CG1 4.04Å; I153-V431 HydrophobicContact CD1-CG2 3.58Å; I153-V431 HydrophobicContact CG1-CG2 4.38Å; Y222-V431 VanDerWaalsContact CD1-O 3.28Å; Y222-V431 WeakPolarHBondContact CD1-O 3.27Å; Y222-V431 PolarHBondContact O-N 3.41Å; K300-V431 HydrophobicContact CD-CG2 4.4Å; V431-T438 HydrophobicContact CG1-CG2 4.41Å; V431-T438 HydrophobicContact CG2-CG2 4.12Å
432F97.5Very high95.3Very high54 Ų5438.7 Ų38.724%0.23725%0.247CC..EExtended strand (participates in β ladder)trans-102.384.7-179.9-67.5-82.6000110.4Y222 M430 S434 R435 G436 E437 I439Y222-F432 HydrophobicContact CD1-CD1 4.16Å; Y222-F432 HydrophobicContact CD1-CE1 4.18Å; Y222-F432 AromaticContact CE1-CD1 3.86Å; Y222-F432 HydrophobicContact CE1-CD1 3.86Å; Y222-F432 AromaticContact CE1-CE1 3.97Å; Y222-F432 HydrophobicContact CE1-CE1 3.97Å; M430-F432 HydrophobicContact CB-CD2 4.32Å; M430-F432 HydrophobicContact CB-CE2 3.58Å; M430-F432 HydrophobicContact CB-CZ 4.06Å; F432-S434 VanDerWaalsContact C-N 3.28Å; F432-S434 PolarHBondContact O-N 3.34Å; F432-R435 HydrophobicContact CB-CB 4.15Å; F432-R435 HydrophobicContact CB-CG 4.45Å; F432-R435 CarbonylContact O-C 3.51Å; F432-R435 WeakPolarHBondContact O-CA 3.44Å; F432-R435 PolarHBondContact O-N 3.39Å; F432-G436 PolarHBondContact O-N 3.13Å; F432-E437 HydrophobicContact CB-CG 4.28Å; F432-E437 PolarHBondContact N-O 3.19Å; F432-E437 PolarHBondContact O-N 2.97Å; F432-I439 HydrophobicContact CD2-CB 4.32Å; F432-I439 HydrophobicContact CD2-CD1 3.66Å; F432-I439 HydrophobicContact CD2-CG1 3.78Å; F432-I439 HydrophobicContact CE2-CB 3.99Å; F432-I439 HydrophobicContact CE2-CD1 3.54Å; F432-I439 HydrophobicContact CE2-CG1 3.84Å; F432-I439 HydrophobicContact CZ-CD1 4.43Å
433A96.8Very high95.2Very high34 Ų3443 Ų4328%0.28127%0.27SS..G310 helixtrans-55.9-38.1-174.900000114.3K148 V152 R435 G436K148-A433 HydrophobicContact CB-CB 3.87Å; K148-A433 WeakPolarHBondContact O-CB 3.38Å; V152-A433 HydrophobicContact CG2-CB 4.26Å; A433-R435 PolarHBondContact O-N 2.99Å; A433-G436 PolarHBondContact O-N 3.32Å
434S96.2Very high95Very high120 Ų12043.6 Ų43.684%0.83927%0.272SS*.G310 helixtrans-64.7-19.5177.154.70000114.1F432F432-S434 VanDerWaalsContact C-N 3.28Å; F432-S434 PolarHBondContact O-N 3.34Å
435R96Very high95Very high149 Ų14944.3 Ų44.356%0.56227%0.272SS*.G310 helixtrans-106.8-9.4178.9-65.9171.761.3172.52.4112.6F432 A433 E437F432-R435 HydrophobicContact CB-CB 4.15Å; F432-R435 HydrophobicContact CB-CG 4.45Å; F432-R435 CarbonylContact O-C 3.51Å; F432-R435 WeakPolarHBondContact O-CA 3.44Å; F432-R435 PolarHBondContact O-N 3.39Å; A433-R435 PolarHBondContact O-N 2.99Å; R435-E437 VanDerWaalsContact C-N 3.25Å; R435-E437 HydrophobicContact CB-CG 3.69Å; R435-E437 IonicContact CZ-OE1 2.89Å; R435-E437 IonicContact CZ-OE2 3.97Å; R435-E437 VanDerWaalsContact CZ-OE2 3.26Å; R435-E437 IonicContact NE-OE1 3.32Å; R435-E437 PolarHBondContact NE-OE1 2.94Å; R435-E437 IonicContact NE-OE2 3.28Å; R435-E437 PolarHBondContact NE-OE2 2.95Å; R435-E437 IonicContact NH1-OE1 3.86Å; R435-E437 IonicContact NH2-OE1 3.36Å; R435-E437 PolarHBondContact NH2-OE1 3.42Å; R435-E437 IonicContact NH2-OE2 2.84Å; R435-E437 PolarHBondContact NH2-OE2 2.74Å; R435-E437 PolarHBondContact O-N 3.45Å
436G94.4Very high95Very high52 Ų5243.9 Ų43.954%0.53627%0.268SS..THydrogen-bonded Turntrans63.627.2-176.100000113.9F432 A433F432-G436 PolarHBondContact O-N 3.13Å; A433-G436 PolarHBondContact O-N 3.32Å
437E94.6Very high95.1Very high61 Ų6145.6 Ų45.629%0.28528%0.276SS..EExtended strand (participates in β ladder)trans-132.9164-173.767.6176.3-121.900112.9F432 R435 I439F432-E437 HydrophobicContact CB-CG 4.28Å; F432-E437 PolarHBondContact N-O 3.19Å; F432-E437 PolarHBondContact O-N 2.97Å; R435-E437 VanDerWaalsContact C-N 3.25Å; R435-E437 HydrophobicContact CB-CG 3.69Å; R435-E437 IonicContact CZ-OE1 2.89Å; R435-E437 IonicContact CZ-OE2 3.97Å; R435-E437 VanDerWaalsContact CZ-OE2 3.26Å; R435-E437 IonicContact NE-OE1 3.32Å; R435-E437 PolarHBondContact NE-OE1 2.94Å; R435-E437 IonicContact NE-OE2 3.28Å; R435-E437 PolarHBondContact NE-OE2 2.95Å; R435-E437 IonicContact NH1-OE1 3.86Å; R435-E437 IonicContact NH2-OE1 3.36Å; R435-E437 PolarHBondContact NH2-OE1 3.42Å; R435-E437 IonicContact NH2-OE2 2.84Å; R435-E437 PolarHBondContact NH2-OE2 2.74Å; R435-E437 PolarHBondContact O-N 3.45Å; E437-I439 HydrophobicContact CG-CG1 4.43Å; E437-I439 WeakPolarHBondContact OE1-CD1 3.44Å; E437-I439 WeakPolarHBondContact OE1-CG1 3.4Å
438T94.6Very high95.3Very high34 Ų3453.6 Ų53.621%0.20931%0.307CS..EExtended strand (participates in β ladder)trans-117.2141.4167.562.70000110.1I153 I156 V163 I166 M430 V431I153-T438 HydrophobicContact CD1-CG2 4.13Å; I156-T438 HydrophobicContact CD1-CG2 3.66Å; V163-T438 WeakPolarHBondContact CG1-OG1 3.48Å; I166-T438 HydrophobicContact CD1-CG2 4.37Å; M430-T438 CarbonylContact O-C 3.58Å; M430-T438 WeakPolarHBondContact O-CA 3.41Å; V431-T438 HydrophobicContact CG1-CG2 4.41Å; V431-T438 HydrophobicContact CG2-CG2 4.12Å
439I94.1Very high95.6Very high62 Ų6253.5 Ų53.532%0.31831%0.306SS..EExtended strand (participates in β ladder)trans-125.5129.6178.7-50.8178.4000108.4M430 F432 E437M430-I439 PolarHBondContact N-O 3.42Å; M430-I439 PolarHBondContact O-N 2.73Å; F432-I439 HydrophobicContact CD2-CB 4.32Å; F432-I439 HydrophobicContact CD2-CD1 3.66Å; F432-I439 HydrophobicContact CD2-CG1 3.78Å; F432-I439 HydrophobicContact CE2-CB 3.99Å; F432-I439 HydrophobicContact CE2-CD1 3.54Å; F432-I439 HydrophobicContact CE2-CG1 3.84Å; F432-I439 HydrophobicContact CZ-CD1 4.43Å; E437-I439 HydrophobicContact CG-CG1 4.43Å; E437-I439 WeakPolarHBondContact OE1-CD1 3.44Å; E437-I439 WeakPolarHBondContact OE1-CG1 3.4Å
440S92.3Very high95.8Very high79 Ų7953.4 Ų53.455%0.55231%0.306SS*.  trans-82.5127.5168.6-165.70000109.9N428N428-S440 PolarHBondContact ND2-OG 3.41Å; N428-S440 VanDerWaalsContact OD1-CA 3.28Å; N428-S440 WeakPolarHBondContact OD1-CA 3.1Å; N428-S440 PolarHBondContact OD1-OG 3.33Å
441G92.8Very high96Very high39 Ų3955.9 Ų55.940%0.40232%0.316SS..  trans-138.8-158175.600000111.4N428N428-G441 PolarHBondContact OD1-N 2.89Å; N428-G441 PolarHBondContact OD1-O 3.3Å
442G93.9Very high96Very high41 Ų4155.9 Ų55.942%0.42332%0.316SS..  trans-127.123.5-175.500000114.6F444 H445G442-F444 PolarHBondContact O-N 3.27Å; G442-H445 WeakPolarHBondContact O-CB 3.32Å; G442-H445 PolarHBondContact O-N 2.81Å
443N95.8Very high96.1Very high89 Ų8953.3 Ų53.348%0.47631%0.305SS..THydrogen-bonded Turntrans-63.5-12.2-177.1-73.39.2000114A425 T426 H445A425-N443 WeakPolarHBondContact O-CB 3.49Å; A425-N443 PolarHBondContact O-ND2 2.85Å; A425-N443 VanDerWaalsContact O-ND2 3.09Å; T426-N443 WeakPolarHBondContact CA-O 3.3Å; T426-N443 WeakPolarHBondContact CB-O 3.22Å; T426-N443 WeakPolarHBondContact CG2-O 3.28Å; N443-H445 PolarHBondContact O-N 3.44Å
444F94.6Very high96.2Very high34 Ų3451.8 Ų51.815%0.14929%0.292CS..THydrogen-bonded Turntrans-76.1-8.2174.351.2-129.3000114A253 G255 N307 T309 T426 N428 G442 G446A253-F444 WeakPolarHBondContact O-CD2 3.45Å; A253-F444 WeakPolarHBondContact O-CE2 3.5Å; G255-F444 WeakPolarHBondContact CA-O 3.33Å; G255-F444 PolarHBondContact N-O 3.31Å; N307-F444 WeakPolarHBondContact OD1-CB 3.49Å; N307-F444 WeakPolarHBondContact OD1-CD1 3.35Å; T309-F444 VanDerWaalsContact CG2-O 3.22Å; T309-F444 WeakPolarHBondContact CG2-O 3.4Å; T426-F444 VanDerWaalsContact O-CA 3.27Å; T426-F444 WeakPolarHBondContact O-CA 3.24Å; T426-F444 WeakPolarHBondContact O-CB 3.39Å; N428-F444 HydrophobicContact CB-CD1 3.32Å; N428-F444 HydrophobicContact CB-CE1 3.46Å; N428-F444 VanDerWaalsContact CB-CE1 3.46Å; G442-F444 PolarHBondContact O-N 3.27Å; F444-G446 PolarHBondContact O-N 3.41Å
445H97.3Very high96.3Very high49 Ų4951.4 Ų51.423%0.22727%0.273CS..  trans-81.3116.6-171.8-167.4-56.5000110A253 G442 N443 E447 H531A253-H445 WeakPolarHBondContact O-CA 3.49Å; G442-H445 WeakPolarHBondContact O-CB 3.32Å; G442-H445 PolarHBondContact O-N 2.81Å; N443-H445 PolarHBondContact O-N 3.44Å; H445-E447 IonicContact CE1-OE2 3.77Å; H445-E447 PolarHBondContact CE1-OE2 3.45Å; H445-E447 VanDerWaalsContact CE1-OE2 3.26Å; H445-E447 PolarHBondContact ND1-N 3.39Å; H445-E447 IonicContact ND1-OE2 3.55Å; H445-E447 PolarHBondContact O-N 3.09Å; H445-H531 AromaticContact CE1-CE1 3.98Å; H445-H531 AromaticContact CE1-ND1 3.59Å; H445-H531 AromaticContact NE2-CE1 3.92Å; H445-H531 AromaticContact NE2-ND1 3.1Å; H445-H531 PolarHBondContact NE2-ND1 2.69Å; H445-H531 VanDerWaalsContact NE2-ND1 3.1Å; H445-H531 PolarHBondContact NE2-O 3.24Å
446G96.8Very high96.4Very high0 Ų044.3 Ų44.30%025%0.246CC..THydrogen-bonded Turntrans-77.424.9-170.800000116.1G252 F444 Y448 P449 A450 S533G252-G446 PolarHBondContact O-N 3.39Å; F444-G446 PolarHBondContact O-N 3.41Å; G446-Y448 PolarHBondContact O-N 3.09Å; G446-P449 VanDerWaalsContact O-CD 3.27Å; G446-P449 WeakPolarHBondContact O-CD 3.34Å; G446-P449 WeakPolarHBondContact O-CG 3.4Å; G446-A450 WeakPolarHBondContact O-CB 3.42Å; G446-A450 PolarHBondContact O-N 2.92Å; G446-S533 VanDerWaalsContact C-CB 3.43Å; G446-S533 WeakPolarHBondContact CA-OG 3.35Å; G446-S533 PolarHBondContact O-OG 2.84Å
447E97.7Very high96.7Very high39 Ų3941.9 Ų41.918%0.18222%0.221CC..Hα-helixtrans-64.7-44.5-170.8-164.664.3-162.200112.1H445 A450 K451 H531 S533H445-E447 IonicContact CE1-OE2 3.77Å; H445-E447 PolarHBondContact CE1-OE2 3.45Å; H445-E447 VanDerWaalsContact CE1-OE2 3.26Å; H445-E447 PolarHBondContact ND1-N 3.39Å; H445-E447 IonicContact ND1-OE2 3.55Å; H445-E447 PolarHBondContact O-N 3.09Å; E447-A450 PolarHBondContact O-N 2.88Å; E447-K451 WeakPolarHBondContact O-CG 3.45Å; E447-K451 PolarHBondContact O-N 3.23Å; E447-K451 WeakPolarHBondContact OE1-CE 3.46Å; E447-K451 IonicContact OE1-NZ 2.78Å; E447-K451 PolarHBondContact OE1-NZ 2.95Å; E447-H531 IonicContact OE2-CE1 2.84Å; E447-S533 WeakPolarHBondContact OE2-CA 3.24Å; E447-S533 VanDerWaalsContact OE2-CB 3.28Å; E447-S533 WeakPolarHBondContact OE2-CB 3.38Å
448Y97.7Very high96.9Very high170 Ų17042.6 Ų42.667%0.66723%0.226SC*.Hα-helixtrans-57.4-57.4177.5-78.3-80.4000112.2G446 A450 A452G446-Y448 PolarHBondContact O-N 3.09Å; Y448-A450 VanDerWaalsContact C-N 3.33Å; Y448-A450 PolarHBondContact O-N 3.46Å; Y448-A452 WeakPolarHBondContact O-CB 3.34Å; Y448-A452 PolarHBondContact O-N 3.32Å; Y448-A452 VanDerWaalsContact O-N 3.14Å
449P97.9Very high97Very high0 Ų041.4 Ų41.40%022%0.22CC..Hα-helixtrans-67.4-32.3178.926.9-35.8000112.6I312 I418 E421 G446 A452 L453I312-P449 HydrophobicContact CG2-CB 3.74Å; I312-P449 HydrophobicContact CG2-CG 4.02Å; I418-P449 HydrophobicContact CD1-CB 3.61Å; E421-P449 HydrophobicContact CG-CB 4.28Å; E421-P449 HydrophobicContact CG-CG 4.02Å; G446-P449 VanDerWaalsContact O-CD 3.27Å; G446-P449 WeakPolarHBondContact O-CD 3.34Å; G446-P449 WeakPolarHBondContact O-CG 3.4Å; P449-A452 PolarHBondContact O-N 3.24Å; P449-L453 WeakPolarHBondContact O-CB 3.09Å; P449-L453 WeakPolarHBondContact O-CD1 3.5Å; P449-L453 WeakPolarHBondContact O-CG 3.38Å; P449-L453 PolarHBondContact O-N 3.39Å
450A98.4Very high97.3Very high0 Ų038.4 Ų38.40%021%0.205CC..Hα-helixtrans-61-52.7177.200000112.4G446 E447 Y448 A452 L453 D454 S533 G535G446-A450 WeakPolarHBondContact O-CB 3.42Å; G446-A450 PolarHBondContact O-N 2.92Å; E447-A450 PolarHBondContact O-N 2.88Å; Y448-A450 VanDerWaalsContact C-N 3.33Å; Y448-A450 PolarHBondContact O-N 3.46Å; A450-A452 VanDerWaalsContact C-N 3.33Å; A450-A452 PolarHBondContact O-N 3.39Å; A450-L453 PolarHBondContact O-N 2.97Å; A450-D454 PolarHBondContact O-N 3.37Å; A450-D454 VanDerWaalsContact O-N 3.07Å; A450-S533 WeakPolarHBondContact CB-O 3.21Å; A450-G535 VanDerWaalsContact CB-CA 3.43Å
451K98.5Very high97.6Very high67 Ų6735.4 Ų35.429%0.29118%0.182SC..Hα-helixtrans-63.3-41178.5-68.4-161-177.9-37.90111.7E447 L453 D454 Y455 S518E447-K451 WeakPolarHBondContact O-CG 3.45Å; E447-K451 PolarHBondContact O-N 3.23Å; E447-K451 WeakPolarHBondContact OE1-CE 3.46Å; E447-K451 IonicContact OE1-NZ 2.78Å; E447-K451 PolarHBondContact OE1-NZ 2.95Å; K451-L453 VanDerWaalsContact C-N 3.31Å; K451-L453 PolarHBondContact O-N 2.92Å; K451-D454 PolarHBondContact O-N 3.18Å; K451-Y455 HydrophobicContact CB-CE2 4.08Å; K451-Y455 WeakPolarHBondContact O-CD2 3.34Å; K451-Y455 VanDerWaalsContact O-CG 3.26Å; K451-Y455 PolarHBondContact O-N 3.41Å; K451-S518 PolarHBondContact NZ-O 3.3Å
452A98.6Very high97.9Very high0 Ų037.4 Ų37.40%018%0.181CC..Hα-helixtrans-59.4-42.1177.900000111.9V414 I417 Y448 P449 A450 Y455 L456V414-A452 HydrophobicContact CG1-CB 4.02Å; V414-A452 HydrophobicContact CG2-CB 4.34Å; V414-A452 WeakPolarHBondContact CG2-O 3.35Å; I417-A452 HydrophobicContact CB-CB 4.14Å; I417-A452 HydrophobicContact CD1-CB 4.06Å; I417-A452 HydrophobicContact CG2-CB 3.95Å; Y448-A452 WeakPolarHBondContact O-CB 3.34Å; Y448-A452 PolarHBondContact O-N 3.32Å; Y448-A452 VanDerWaalsContact O-N 3.14Å; P449-A452 PolarHBondContact O-N 3.24Å; A450-A452 VanDerWaalsContact C-N 3.33Å; A450-A452 PolarHBondContact O-N 3.39Å; A452-Y455 PolarHBondContact O-N 2.95Å; A452-L456 PolarHBondContact O-N 2.86Å
453L98.8Very high98.1Very high0 Ų035.5 Ų35.50%016%0.161CC..Hα-helixtrans-75-29-179.8-65.1169000113.1I312 A319 I418 P449 A450 K451 L456 A457 A538 A539 A542I312-L453 HydrophobicContact CG2-CD1 3.76Å; A319-L453 HydrophobicContact CB-CD2 4.44Å; I418-L453 HydrophobicContact CD1-CG 4.5Å; P449-L453 WeakPolarHBondContact O-CB 3.09Å; P449-L453 WeakPolarHBondContact O-CD1 3.5Å; P449-L453 WeakPolarHBondContact O-CG 3.38Å; P449-L453 PolarHBondContact O-N 3.39Å; A450-L453 PolarHBondContact O-N 2.97Å; K451-L453 VanDerWaalsContact C-N 3.31Å; K451-L453 PolarHBondContact O-N 2.92Å; L453-L456 HydrophobicContact CD2-CD2 4.15Å; L453-L456 PolarHBondContact O-N 3Å; L453-A457 PolarHBondContact O-N 2.83Å; L453-A538 HydrophobicContact CB-CB 4.15Å; L453-A539 HydrophobicContact CD1-CB 3.62Å; L453-A542 HydrophobicContact CB-CB 4.39Å
454D98.9Very high98.3Very high2 Ų231.2 Ų31.21%0.01114%0.138CC..Hα-helixtrans-63.2-45.4167.1-82.3-23.8000111.9A450 K451 L456 A457 I458 P516 S517 S518 K541A450-D454 PolarHBondContact O-N 3.37Å; A450-D454 VanDerWaalsContact O-N 3.07Å; K451-D454 PolarHBondContact O-N 3.18Å; D454-L456 VanDerWaalsContact C-N 3.31Å; D454-L456 PolarHBondContact O-N 3.07Å; D454-A457 PolarHBondContact O-N 3.27Å; D454-I458 WeakPolarHBondContact O-CG1 3.49Å; D454-I458 PolarHBondContact O-N 3.43Å; D454-P516 HydrophobicContact CB-CB 4.18Å; D454-P516 VanDerWaalsContact OD2-CA 3.31Å; D454-P516 WeakPolarHBondContact OD2-CA 3.25Å; D454-P516 VanDerWaalsContact OD2-CB 3.3Å; D454-P516 WeakPolarHBondContact OD2-CB 3.38Å; D454-S517 PolarHBondContact OD1-N 2.97Å; D454-S517 PolarHBondContact OD2-N 3.05Å; D454-S518 WeakPolarHBondContact OD2-CB 3.5Å; D454-S518 PolarHBondContact OD2-N 3.31Å; D454-S518 PolarHBondContact OD2-OG 3.34Å; D454-K541 WeakPolarHBondContact OD1-CE 3.18Å; D454-K541 IonicContact OD1-NZ 2.94Å; D454-K541 PolarHBondContact OD1-NZ 3.2Å
455Y98.7Very high98.5Very high113 Ų11330.7 Ų30.744%0.44314%0.14SC..Hα-helixtrans-62.4-39.1175.1-60.5-41.2000112.1T410 F413 K451 A452 I458 G459T410-Y455 WeakPolarHBondContact CG2-O 3.34Å; F413-Y455 AromaticContact CE1-CD2 3.68Å; F413-Y455 HydrophobicContact CE1-CD2 3.68Å; F413-Y455 HydrophobicContact CE1-CE2 4.16Å; F413-Y455 HydrophobicContact CZ-CD2 4.48Å; K451-Y455 HydrophobicContact CB-CE2 4.08Å; K451-Y455 WeakPolarHBondContact O-CD2 3.34Å; K451-Y455 VanDerWaalsContact O-CG 3.26Å; K451-Y455 PolarHBondContact O-N 3.41Å; A452-Y455 PolarHBondContact O-N 2.95Å; Y455-I458 PolarHBondContact O-N 3.28Å; Y455-G459 PolarHBondContact O-N 3.44Å
456L98.9Very high98.5Very high0 Ų029.1 Ų29.10%013%0.133CC..Hα-helixtrans-61.4-47.1175.2-175.360.1000111.5A319 I320 A323 I411 V414 A452 L453 D454 I458 G459 I460 I546A319-L456 HydrophobicContact CB-CD2 3.82Å; I320-L456 HydrophobicContact CG1-CD2 4.3Å; A323-L456 HydrophobicContact CB-CD1 4.01Å; I411-L456 HydrophobicContact CG1-CD1 3.89Å; V414-L456 HydrophobicContact CG1-CB 4.19Å; V414-L456 HydrophobicContact CG1-CD2 4.32Å; V414-L456 HydrophobicContact CG2-CB 4.13Å; A452-L456 PolarHBondContact O-N 2.86Å; L453-L456 HydrophobicContact CD2-CD2 4.15Å; L453-L456 PolarHBondContact O-N 3Å; D454-L456 VanDerWaalsContact C-N 3.31Å; D454-L456 PolarHBondContact O-N 3.07Å; L456-I458 VanDerWaalsContact C-N 3.33Å; L456-I458 PolarHBondContact O-N 2.88Å; L456-G459 PolarHBondContact O-N 2.84Å; L456-I460 WeakPolarHBondContact O-CB 3.47Å; L456-I460 WeakPolarHBondContact O-CG2 3.3Å; L456-I460 PolarHBondContact O-N 3.36Å; L456-I546 HydrophobicContact CD2-CD1 4.36Å
457A98.9Very high98.6Very high0 Ų029.1 Ų29.10%013%0.133CC..Hα-helixtrans-59.4-44178.400000111.7L453 D454 H461 C514 A542 V545L453-A457 PolarHBondContact O-N 2.83Å; D454-A457 PolarHBondContact O-N 3.27Å; A457-H461 WeakPolarHBondContact O-CB 3.47Å; A457-H461 PolarHBondContact O-N 3.43Å; A457-C514 PolarHBondContact O-SG 3.27Å; A457-C514 VanDerWaalsContact O-SG 3.41Å; A457-A542 HydrophobicContact CB-CB 4.19Å; A457-V545 HydrophobicContact CB-CG2 4.43Å
458I98.9Very high98.7Very high77 Ų7727.6 Ų27.640%0.39513%0.126SC..Hα-helixtrans-64.2-48.2176.7-66.7164.6000110.8D454 Y455 L456 C514D454-I458 WeakPolarHBondContact O-CG1 3.49Å; D454-I458 PolarHBondContact O-N 3.43Å; Y455-I458 PolarHBondContact O-N 3.28Å; L456-I458 VanDerWaalsContact C-N 3.33Å; L456-I458 PolarHBondContact O-N 2.88Å; I458-C514 HydrophobicContact CG1-CB 4.19Å
459G98.6Very high98.7Very high8 Ų825.1 Ų25.18%0.08212%0.115CC..Hα-helixtrans-65.5-49.8-177.300000112.7V407 Y455 L456 H461 E462V407-G459 WeakPolarHBondContact CG2-O 3.46Å; Y455-G459 PolarHBondContact O-N 3.44Å; L456-G459 PolarHBondContact O-N 2.84Å; G459-H461 VanDerWaalsContact C-N 3.3Å; G459-H461 PolarHBondContact O-N 2.84Å; G459-E462 PolarHBondContact O-N 3.38Å
460I98.8Very high98.8Very high0 Ų025.1 Ų25.10%012%0.115CC..Hα-helixtrans-69-28.2-174.6-160.862.8000112.9A323 I326 V407 I411 L456 E462 L463 V545 I546 V549A323-I460 HydrophobicContact CB-CD1 3.97Å; A323-I460 HydrophobicContact CB-CG1 4.22Å; I326-I460 HydrophobicContact CG2-CD1 4.19Å; V407-I460 HydrophobicContact CG1-CD1 3.57Å; I411-I460 HydrophobicContact CD1-CD1 4.14Å; L456-I460 WeakPolarHBondContact O-CB 3.47Å; L456-I460 WeakPolarHBondContact O-CG2 3.3Å; L456-I460 PolarHBondContact O-N 3.36Å; I460-E462 PolarHBondContact O-N 3.03Å; I460-L463 HydrophobicContact CD1-CD1 3.63Å; I460-L463 HydrophobicContact CD1-CG 4.36Å; I460-L463 PolarHBondContact O-N 2.85Å; I460-V545 HydrophobicContact CG2-CG1 3.77Å; I460-I546 HydrophobicContact CG1-CG1 4.15Å; I460-I546 HydrophobicContact CG2-CG1 3.89Å; I460-V549 HydrophobicContact CG1-CG2 4.36Å; I460-V549 WeakPolarHBondContact O-CG2 3.43Å
461H98.8Very high98.8Very high15 Ų1525.1 Ų25.17%0.06912%0.115CC..Hα-helixtrans-53.7-36.2175.7169.459000112.8A457 G459 L463 A464 A465 V507 N510 C514 V545A457-H461 WeakPolarHBondContact O-CB 3.47Å; A457-H461 PolarHBondContact O-N 3.43Å; G459-H461 VanDerWaalsContact C-N 3.3Å; G459-H461 PolarHBondContact O-N 2.84Å; H461-L463 PolarHBondContact O-N 3.45Å; H461-L463 VanDerWaalsContact O-N 3.14Å; H461-A464 WeakPolarHBondContact O-CB 3.28Å; H461-A464 PolarHBondContact O-N 3.28Å; H461-A465 PolarHBondContact O-N 3.01Å; H461-V507 PolarHBondContact CE1-O 3.34Å; H461-N510 WeakPolarHBondContact ND1-CB 3.37Å; H461-C514 VanDerWaalsContact CB-SG 3.59Å; H461-V545 HydrophobicContact CB-CG1 4.01Å
462E98.8Very high98.8Very high81 Ų8124 Ų2438%0.37911%0.111SC..Hα-helixtrans-58.9-29.8-177.1-72.2-63.9106.400112.7V403 V407 G459 I460 A465 I466V403-E462 HydrophobicContact CG1-CB 3.98Å; V407-E462 HydrophobicContact CG2-CB 4.1Å; G459-E462 PolarHBondContact O-N 3.38Å; I460-E462 PolarHBondContact O-N 3.03Å; E462-A465 PolarHBondContact O-N 3.13Å; E462-I466 VanDerWaalsContact O-CG2 3.24Å; E462-I466 WeakPolarHBondContact O-CG2 3.45Å; E462-I466 PolarHBondContact O-N 2.93Å
463L98.9Very high98.8Very high1 Ų126.8 Ų26.81%0.00512%0.121CC..Hα-helixtrans-63.3-44174.6-62-174.6000111.6A327 A330 H404 V407 I460 H461 I466 S467 V549A327-L463 HydrophobicContact CB-CD1 3.96Å; A330-L463 HydrophobicContact CB-CD1 3.99Å; A330-L463 HydrophobicContact CB-CD2 4.25Å; H404-L463 HydrophobicContact CB-CD2 3.98Å; H404-L463 VanDerWaalsContact CD2-CD2 3.49Å; H404-L463 WeakPolarHBondContact CD2-CD2 3.4Å; V407-L463 HydrophobicContact CB-CD2 4.26Å; V407-L463 HydrophobicContact CB-CG 4.39Å; V407-L463 HydrophobicContact CG1-CD1 4.07Å; V407-L463 HydrophobicContact CG1-CD2 4.39Å; V407-L463 HydrophobicContact CG1-CG 4.04Å; V407-L463 HydrophobicContact CG2-CD2 3.9Å; V407-L463 HydrophobicContact CG2-CG 4.04Å; I460-L463 HydrophobicContact CD1-CD1 3.63Å; I460-L463 HydrophobicContact CD1-CG 4.36Å; I460-L463 PolarHBondContact O-N 2.85Å; H461-L463 PolarHBondContact O-N 3.45Å; H461-L463 VanDerWaalsContact O-N 3.14Å; L463-I466 WeakPolarHBondContact O-CG2 3.3Å; L463-S467 WeakPolarHBondContact O-CB 3.46Å; L463-S467 PolarHBondContact O-N 3.32Å; L463-V549 HydrophobicContact CB-CG1 3.87Å; L463-V549 HydrophobicContact CD1-CG1 4.35Å
464A98.9Very high98.8Very high0 Ų026.8 Ų26.80%012%0.121CC..Hα-helixtrans-68.2-41.9176.200000111.2H461 I466 S467 E468 V507 V549 V552H461-A464 WeakPolarHBondContact O-CB 3.28Å; H461-A464 PolarHBondContact O-N 3.28Å; A464-I466 PolarHBondContact O-N 3.26Å; A464-S467 PolarHBondContact O-N 2.89Å; A464-E468 WeakPolarHBondContact O-CB 3.15Å; A464-E468 PolarHBondContact O-N 2.89Å; A464-V507 HydrophobicContact CB-CG2 3.9Å; A464-V507 WeakPolarHBondContact O-CG2 3.43Å; A464-V549 HydrophobicContact CB-CB 4.27Å; A464-V549 HydrophobicContact CB-CG2 3.7Å; A464-V552 HydrophobicContact CB-CB 4.22Å; A464-V552 HydrophobicContact CB-CG1 4.27Å; A464-V552 HydrophobicContact CB-CG2 4.29Å
465A98.8Very high98.8Very high22 Ų2226.8 Ų26.818%0.18212%0.122CC..Hα-helixtrans-61-46.8-179.300000112H461 E462 R469 V507H461-A465 PolarHBondContact O-N 3.01Å; E462-A465 PolarHBondContact O-N 3.13Å; A465-R469 WeakPolarHBondContact O-CG 3.16Å; A465-R469 PolarHBondContact O-N 3.39Å; A465-V507 HydrophobicContact CB-CG1 4.29Å
466I98.9Very high98.8Very high16 Ų1623.6 Ų23.68%0.08211%0.112CC..Hα-helixtrans-74.4-34.5177.9-162.3173.9000112.5V403 E462 L463 A464 R469 R470V403-I466 HydrophobicContact CB-CD1 3.91Å; V403-I466 HydrophobicContact CG1-CB 4.28Å; V403-I466 HydrophobicContact CG1-CD1 4.03Å; V403-I466 HydrophobicContact CG1-CG2 4.15Å; V403-I466 HydrophobicContact CG2-CD1 3.98Å; E462-I466 VanDerWaalsContact O-CG2 3.24Å; E462-I466 WeakPolarHBondContact O-CG2 3.45Å; E462-I466 PolarHBondContact O-N 2.93Å; L463-I466 WeakPolarHBondContact O-CG2 3.3Å; A464-I466 PolarHBondContact O-N 3.26Å; I466-R469 PolarHBondContact O-N 2.9Å; I466-R470 PolarHBondContact O-N 3.24Å; I466-R470 VanDerWaalsContact O-N 3.13Å
467S98.9Very high98.6Very high0 Ų026.6 Ų26.60%013%0.132CC..Hα-helixtrans-62.1-44.9175.5175.40000112L463 A464 R469 R470 I471 E556L463-S467 WeakPolarHBondContact O-CB 3.46Å; L463-S467 PolarHBondContact O-N 3.32Å; A464-S467 PolarHBondContact O-N 2.89Å; S467-R469 VanDerWaalsContact C-N 3.29Å; S467-R469 PolarHBondContact O-N 3.49Å; S467-R470 CarbonylContact O-C 3.58Å; S467-R470 WeakPolarHBondContact O-CA 3.43Å; S467-R470 WeakPolarHBondContact O-CB 3.5Å; S467-R470 PolarHBondContact O-N 3.49Å; S467-I471 WeakPolarHBondContact O-CG1 3.45Å; S467-I471 PolarHBondContact O-N 3.31Å; S467-E556 WeakPolarHBondContact CA-OE2 3.44Å; S467-E556 WeakPolarHBondContact CB-OE2 3.37Å; S467-E556 WeakPolarHBondContact OG-CB 3.49Å; S467-E556 PolarHBondContact OG-OE2 3.08Å
468E98.8Very high98.5Very high7 Ų731.7 Ų31.73%0.03317%0.167CC..Hα-helixtrans-64-35.5178.3-176.9-77.8151.800112.2A464 R470 I471 E472 H500 A503 A504 V507 V552A464-E468 WeakPolarHBondContact O-CB 3.15Å; A464-E468 PolarHBondContact O-N 2.89Å; E468-R470 VanDerWaalsContact C-N 3.28Å; E468-R470 PolarHBondContact O-N 2.53Å; E468-I471 WeakPolarHBondContact O-CB 3.32Å; E468-I471 PolarHBondContact O-N 2.83Å; E468-E472 PolarHBondContact O-N 3.14Å; E468-H500 IonicContact OE1-CD2 3.27Å; E468-H500 IonicContact OE1-CE1 3.87Å; E468-H500 IonicContact OE1-NE2 2.68Å; E468-H500 PolarHBondContact OE1-NE2 3.22Å; E468-A503 HydrophobicContact CG-CB 4.08Å; E468-A504 HydrophobicContact CG-CB 4.36Å; E468-V507 HydrophobicContact CB-CG2 3.69Å; E468-V507 HydrophobicContact CG-CG2 4.11Å; E468-V552 HydrophobicContact CB-CG1 4.17Å
469R98.9Very high98.3Very high119 Ų11930.9 Ų30.945%0.44916%0.164SC..Hα-helixtrans-66.8-28.1171.2-61.9-68.689.7-178.15.2112.8T396 A465 I466 S467 R473T396-R469 HydrophobicContact CG2-CB 3.39Å; T396-R469 HydrophobicContact CG2-CG 4.25Å; A465-R469 WeakPolarHBondContact O-CG 3.16Å; A465-R469 PolarHBondContact O-N 3.39Å; I466-R469 PolarHBondContact O-N 2.9Å; S467-R469 VanDerWaalsContact C-N 3.29Å; S467-R469 PolarHBondContact O-N 3.49Å; R469-R473 WeakPolarHBondContact O-CG 3.23Å; R469-R473 PolarHBondContact O-N 3.34Å
470R98.9Very high98.1Very high0 Ų030.7 Ų30.70%016%0.161CC..Hα-helixtrans-73.6-36.9171.1-73.9-169.8-60.9-97.9-2.4111.9T337 T396 L397 C400 H404 I466 S467 E468 R473 L474 E556T337-R470 HydrophobicContact CG2-CB 3.94Å; T337-R470 HydrophobicContact CG2-CG 4.33Å; T396-R470 VanDerWaalsContact O-CD 3.3Å; T396-R470 WeakPolarHBondContact O-CD 3.45Å; T396-R470 WeakPolarHBondContact O-CG 3.15Å; T396-R470 PolarHBondContact O-NH1 3.44Å; L397-R470 HydrophobicContact CD2-CG 4.04Å; C400-R470 PolarHBondContact SG-NH1 3.27Å; H404-R470 PolarHBondContact NE2-NH1 3.09Å; I466-R470 PolarHBondContact O-N 3.24Å; I466-R470 VanDerWaalsContact O-N 3.13Å; S467-R470 CarbonylContact O-C 3.58Å; S467-R470 WeakPolarHBondContact O-CA 3.43Å; S467-R470 WeakPolarHBondContact O-CB 3.5Å; S467-R470 PolarHBondContact O-N 3.49Å; E468-R470 VanDerWaalsContact C-N 3.28Å; E468-R470 PolarHBondContact O-N 2.53Å; R470-R473 WeakPolarHBondContact O-CB 3.45Å; R470-R473 PolarHBondContact O-N 3.38Å; R470-L474 WeakPolarHBondContact O-CG 3.38Å; R470-L474 PolarHBondContact O-N 3.01Å; R470-E556 WeakPolarHBondContact CB-OE1 3.38Å; R470-E556 WeakPolarHBondContact CD-OE1 3.43Å; R470-E556 IonicContact CZ-OE1 3.58Å; R470-E556 IonicContact CZ-OE2 2.68Å; R470-E556 IonicContact NE-OE1 2.99Å; R470-E556 PolarHBondContact NE-OE1 3.05Å; R470-E556 IonicContact NE-OE2 3.77Å; R470-E556 PolarHBondContact NE-OE2 3.27Å; R470-E556 IonicContact NH2-OE1 3.2Å; R470-E556 IonicContact NH2-OE2 3.28Å; R470-E556 PolarHBondContact NH2-OE2 2.99Å
471I98.9Very high97.8Very high0 Ų036.3 Ų36.30%019%0.187CC..Hα-helixtrans-60.2-45.2171.1-62.7167.6000110.7S467 E468 R473 L474 C475 H500 A503 V552 I555 E556S467-I471 WeakPolarHBondContact O-CG1 3.45Å; S467-I471 PolarHBondContact O-N 3.31Å; E468-I471 WeakPolarHBondContact O-CB 3.32Å; E468-I471 PolarHBondContact O-N 2.83Å; I471-R473 VanDerWaalsContact C-N 3.3Å; I471-R473 PolarHBondContact O-N 3.36Å; I471-L474 PolarHBondContact O-N 3.19Å; I471-C475 WeakPolarHBondContact O-CB 3.49Å; I471-C475 PolarHBondContact O-N 2.94Å; I471-C475 PolarHBondContact O-SG 2.84Å; I471-H500 HydrophobicContact CG2-CB 3.92Å; I471-A503 HydrophobicContact CD1-CB 3.74Å; I471-V552 HydrophobicContact CD1-CG1 4.19Å; I471-I555 HydrophobicContact CD1-CB 4.04Å; I471-I555 HydrophobicContact CD1-CG2 3.82Å; 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 4.07Å
472E98.7Very high97.7Very high42 Ų4236.1 Ų36.120%0.19619%0.186CC..Hα-helixtrans-55.6-47.4175.8-175.7-82.3155.600111E468 L474 C475 N476 L479E468-E472 PolarHBondContact O-N 3.14Å; E472-L474 PolarHBondContact O-N 3.38Å; E472-C475 PolarHBondContact O-N 2.86Å; E472-N476 WeakPolarHBondContact O-CB 3.38Å; E472-N476 PolarHBondContact O-N 3.39Å; E472-N476 PolarHBondContact OE1-ND2 2.64Å; E472-L479 VanDerWaalsContact OE1-CD1 3.23Å; E472-L479 WeakPolarHBondContact OE1-CD1 3.47Å; E472-L479 WeakPolarHBondContact OE2-CD1 2.97Å
473R98.4Very high97.7Very high59 Ų5934.7 Ų34.722%0.22318%0.184CC..Hα-helixtrans-59.9-46.5178-76-177.1163.4-72.4-18.3112.7L341 A394 T396 R469 R470 I471 C475 N476 L479 S480L341-R473 HydrophobicContact CD1-CB 3.91Å; A394-R473 VanDerWaalsContact CB-NE 3.31Å; T396-R473 VanDerWaalsContact OG1-CD 3.27Å; T396-R473 WeakPolarHBondContact OG1-CD 3.43Å; T396-R473 PolarHBondContact OG1-NE 2.97Å; R469-R473 WeakPolarHBondContact O-CG 3.23Å; R469-R473 PolarHBondContact O-N 3.34Å; R470-R473 WeakPolarHBondContact O-CB 3.45Å; R470-R473 PolarHBondContact O-N 3.38Å; I471-R473 VanDerWaalsContact C-N 3.3Å; I471-R473 PolarHBondContact O-N 3.36Å; R473-C475 VanDerWaalsContact C-N 3.31Å; R473-C475 PolarHBondContact O-N 2.73Å; R473-N476 PolarHBondContact O-N 2.55Å; R473-L479 HydrophobicContact CB-CB 4.46Å; R473-L479 HydrophobicContact CG-CB 4.31Å; R473-L479 HydrophobicContact CG-CD1 4.05Å; R473-S480 WeakPolarHBondContact O-CB 2.8Å
474L98.7Very high97.6Very high0 Ų036.4 Ų36.40%020%0.199CC..Hα-helixtrans-59-43.7177.1-73.7167.5000111.4T337 V340 L341 R470 I471 E472 S480 L482 L486 A559 A560T337-L474 HydrophobicContact CG2-CD1 3.76Å; T337-L474 HydrophobicContact CG2-CD2 4.12Å; T337-L474 HydrophobicContact CG2-CG 3.89Å; V340-L474 HydrophobicContact CB-CD2 4.12Å; V340-L474 HydrophobicContact CG1-CD2 3.41Å; V340-L474 VanDerWaalsContact CG1-CD2 3.41Å; L341-L474 HydrophobicContact CD1-CD2 4.42Å; L341-L474 HydrophobicContact CD1-CG 4.5Å; L341-L474 HydrophobicContact CD2-CD2 3.97Å; L341-L474 HydrophobicContact CG-CD2 3.98Å; R470-L474 WeakPolarHBondContact O-CG 3.38Å; R470-L474 PolarHBondContact O-N 3.01Å; I471-L474 PolarHBondContact O-N 3.19Å; E472-L474 PolarHBondContact O-N 3.38Å; L474-S480 PolarHBondContact O-OG 3.46Å; L474-L482 HydrophobicContact CD2-CD1 4.48Å; L474-L486 HydrophobicContact CB-CD1 4.24Å; L474-L486 WeakPolarHBondContact O-CD2 2.99Å; L474-A559 HydrophobicContact CD1-CB 3.83Å; L474-A560 HydrophobicContact CD1-CB 4.38Å
475C98.4Very high97.6Very high2 Ų239.8 Ų39.81%0.01421%0.213CC..Hα-helixtrans-77.3-23.5-177.5-65.60000113.9I471 E472 R473 P477 F485I471-C475 WeakPolarHBondContact O-CB 3.49Å; I471-C475 PolarHBondContact O-N 2.94Å; I471-C475 PolarHBondContact O-SG 2.84Å; E472-C475 PolarHBondContact O-N 2.86Å; R473-C475 VanDerWaalsContact C-N 3.31Å; R473-C475 PolarHBondContact O-N 2.73Å; C475-P477 WeakPolarHBondContact O-CD 3.35Å; C475-F485 HydrophobicContact CB-CD1 3.97Å; C475-F485 PolarHBondContact O-N 3.43Å
476N98.2Very high97.6Very high46 Ų4638.7 Ų38.725%0.24621%0.205CC..  trans-91.1112.6-175.1-173.8-19.3000111E472 R473 S478 L479 S480E472-N476 WeakPolarHBondContact O-CB 3.38Å; E472-N476 PolarHBondContact O-N 3.39Å; E472-N476 PolarHBondContact OE1-ND2 2.64Å; R473-N476 PolarHBondContact O-N 2.55Å; N476-S478 PolarHBondContact O-N 3.16Å; N476-S478 VanDerWaalsContact O-N 3.13Å; N476-S478 VanDerWaalsContact OD1-CB 3.3Å; N476-S478 WeakPolarHBondContact OD1-CB 3.46Å; N476-S478 PolarHBondContact OD1-N 3.13Å; N476-S478 PolarHBondContact OD1-OG 3.24Å; N476-L479 HydrophobicContact CB-CB 4.2Å; N476-L479 HydrophobicContact CB-CD1 4Å; N476-L479 HydrophobicContact CB-CG 4.12Å; N476-L479 WeakPolarHBondContact ND2-CD1 3.48Å; N476-L479 PolarHBondContact O-N 3.13Å; N476-S480 PolarHBondContact O-N 2.81Å; N476-S480 PolarHBondContact O-OG 3.13Å
477P96.3Very high97.6Very high63 Ų6338.1 Ų38.141%0.40920%0.202SC..Hα-helixtrans-64.5-23.4-176.129.5-36.9000112.7C475 L479 E481 L482 A484C475-P477 WeakPolarHBondContact O-CD 3.35Å; P477-L479 PolarHBondContact O-N 2.99Å; P477-E481 PolarHBondContact O-N 3.49Å; P477-L482 WeakPolarHBondContact CA-O 3.27Å; P477-L482 WeakPolarHBondContact CB-O 3.5Å; P477-A484 HydrophobicContact CB-CB 4.42Å; P477-A484 HydrophobicContact CG-CB 3.9Å
478S95.8Very high97.4Very high107 Ų10740.4 Ų40.475%0.74822%0.221SC*.Hα-helixtrans-72.7-13.7176.2-48.50000112.7N476N476-S478 PolarHBondContact O-N 3.16Å; N476-S478 VanDerWaalsContact O-N 3.13Å; N476-S478 VanDerWaalsContact OD1-CB 3.3Å; N476-S478 WeakPolarHBondContact OD1-CB 3.46Å; N476-S478 PolarHBondContact OD1-N 3.13Å; N476-S478 PolarHBondContact OD1-OG 3.24Å
479L95.3Very high97.2Very high61 Ų6146.9 Ų46.932%0.31925%0.251SS..Hα-helixtrans-118.7-22.6-174.8-59.2-179.6000113.5E472 R473 N476 P477E472-L479 VanDerWaalsContact OE1-CD1 3.23Å; E472-L479 WeakPolarHBondContact OE1-CD1 3.47Å; E472-L479 WeakPolarHBondContact OE2-CD1 2.97Å; R473-L479 HydrophobicContact CB-CB 4.46Å; R473-L479 HydrophobicContact CG-CB 4.31Å; R473-L479 HydrophobicContact CG-CD1 4.05Å; N476-L479 HydrophobicContact CB-CB 4.2Å; N476-L479 HydrophobicContact CB-CD1 4Å; N476-L479 HydrophobicContact CB-CG 4.12Å; N476-L479 WeakPolarHBondContact ND2-CD1 3.48Å; N476-L479 PolarHBondContact O-N 3.13Å; P477-L479 PolarHBondContact O-N 2.99Å
480S94.3Very high97Very high3 Ų344 Ų442%0.02126%0.259CS..Hα-helixtrans-106.6-20.9-175.752.70000116R473 L474 N476 L482R473-S480 WeakPolarHBondContact O-CB 2.8Å; L474-S480 PolarHBondContact O-OG 3.46Å; N476-S480 PolarHBondContact O-N 2.81Å; N476-S480 PolarHBondContact O-OG 3.13Å; S480-L482 PolarHBondContact O-N 2.92Å; S480-L482 WeakPolarHBondContact OG-CB 3.34Å; S480-L482 PolarHBondContact OG-N 2.82Å
481E93.3Very high96.6Very high118 Ų11848 Ų4855%0.55130%0.299SS*.SBendtrans60.516.5-163-50.7170.6-179.500113.5K342 R390 P477K342-E481 IonicContact NZ-OE2 3.58Å; K342-E481 PolarHBondContact NZ-OE2 3.26Å; R390-E481 IonicContact CZ-OE1 3.28Å; R390-E481 IonicContact NE-OE1 3.67Å; R390-E481 IonicContact NH2-OE1 3.53Å; R390-E481 PolarHBondContact NH2-OE1 3.34Å; R390-E481 IonicContact NH2-OE2 2.95Å; R390-E481 PolarHBondContact NH2-OE2 3.35Å; P477-E481 PolarHBondContact O-N 3.49Å
482L96.8Very high96.5Very high11 Ų1154.5 Ų54.56%0.05833%0.333CS..SBendtrans-104.9163.4176.2-60.6175000110.4V340 L474 P477 S480 L486 F566 L567V340-L482 HydrophobicContact CG1-CD1 3.67Å; L474-L482 HydrophobicContact CD2-CD1 4.48Å; P477-L482 WeakPolarHBondContact CA-O 3.27Å; P477-L482 WeakPolarHBondContact CB-O 3.5Å; S480-L482 PolarHBondContact O-N 2.92Å; S480-L482 WeakPolarHBondContact OG-CB 3.34Å; S480-L482 PolarHBondContact OG-N 2.82Å; L482-L486 HydrophobicContact CB-CD2 4.1Å; L482-L486 HydrophobicContact CD1-CD2 3.63Å; L482-F566 HydrophobicContact CD2-CB 3.92Å; L482-L567 HydrophobicContact CD2-CD2 4.17Å; L482-L567 HydrophobicContact CD2-CG 4.47Å
483P97.8Very high96.5Very high51 Ų5153.5 Ų53.533%0.33133%0.329SS..  trans-55.7143.8170.8-26.437.1000111.9F485 L486 V487 F566P483-F485 PolarHBondContact O-N 3.06Å; P483-L486 PolarHBondContact O-N 3.41Å; P483-V487 WeakPolarHBondContact CB-O 3.25Å; P483-F566 HydrophobicContact CB-CE1 4.44Å; P483-F566 HydrophobicContact CG-CD1 3.75Å; P483-F566 HydrophobicContact CG-CE1 3.73Å; P483-F566 HydrophobicContact CG-CG 4.25Å; P483-F566 HydrophobicContact CG-CZ 4.2Å
484A98Very high96.5Very high38 Ų3853.1 Ų53.131%0.31434%0.336SS..G310 helixtrans-54131178.500000111P477 L486P477-A484 HydrophobicContact CB-CB 4.42Å; P477-A484 HydrophobicContact CG-CB 3.9Å; A484-L486 PolarHBondContact O-N 3.26Å; A484-L486 VanDerWaalsContact O-N 3.11Å
485F98.4Very high96.5Very high70 Ų7053.5 Ų53.531%0.30734%0.339SS..G310 helixtrans55.724.6-179.1-45.9-71.7000114.6C475 P483 V487 S494 F496 M497C475-F485 HydrophobicContact CB-CD1 3.97Å; C475-F485 PolarHBondContact O-N 3.43Å; P483-F485 PolarHBondContact O-N 3.06Å; F485-V487 VanDerWaalsContact C-N 3.32Å; F485-V487 PolarHBondContact O-N 3.11Å; F485-S494 VanDerWaalsContact CB-O 3.3Å; F485-S494 WeakPolarHBondContact CB-O 3.3Å; F485-F496 PolarHBondContact O-N 3.19Å; F485-M497 HydrophobicContact CB-CB 4.34Å; F485-M497 HydrophobicContact CD1-CB 3.74Å; F485-M497 HydrophobicContact CD1-CG 4.13Å; F485-M497 HydrophobicContact CD2-CB 4.38Å; F485-M497 HydrophobicContact CD2-CE 3.79Å; F485-M497 HydrophobicContact CE1-CB 4.11Å; F485-M497 HydrophobicContact CE1-CG 3.97Å; F485-M497 HydrophobicContact CE2-CE 3.56Å; F485-M497 HydrophobicContact CG-CB 3.88Å; F485-M497 HydrophobicContact CG-CE 4.4Å; F485-M497 HydrophobicContact CZ-CE 3.99Å; F485-M497 HydrophobicContact CZ-CG 4.21Å
486L98.4Very high96.5Very high0 Ų053.8 Ų53.80%034%0.34CS..G310 helixtrans5839.3172.9-54.4174.7000114L474 L482 P483 A484 F496 A559 Q562 F566L474-L486 HydrophobicContact CB-CD1 4.24Å; L474-L486 WeakPolarHBondContact O-CD2 2.99Å; L482-L486 HydrophobicContact CB-CD2 4.1Å; L482-L486 HydrophobicContact CD1-CD2 3.63Å; P483-L486 PolarHBondContact O-N 3.41Å; A484-L486 PolarHBondContact O-N 3.26Å; A484-L486 VanDerWaalsContact O-N 3.11Å; L486-F496 HydrophobicContact CB-CD2 4.03Å; L486-F496 HydrophobicContact CD1-CD2 4.34Å; L486-F496 HydrophobicContact CD1-CG 4.33Å; L486-A559 HydrophobicContact CD1-CB 3.69Å; L486-A559 VanDerWaalsContact CD1-O 3.24Å; L486-A559 WeakPolarHBondContact CD1-O 3.15Å; L486-Q562 HydrophobicContact CB-CG 3.75Å; L486-Q562 HydrophobicContact CD1-CB 4.38Å; L486-Q562 HydrophobicContact CD1-CG 4.44Å; L486-Q562 WeakPolarHBondContact O-CG 3.44Å; L486-Q562 PolarHBondContact O-NE2 2.93Å; L486-Q562 VanDerWaalsContact O-NE2 3.13Å; L486-F566 HydrophobicContact CB-CE2 4.14Å; L486-F566 VanDerWaalsContact O-CE2 3.25Å; L486-F566 WeakPolarHBondContact O-CE2 3.49Å; L486-F566 WeakPolarHBondContact O-CZ 3.19Å
487V98Very high96.5Very high4 Ų454.8 Ų54.82%0.02434%0.344CS..  trans-137.3148.9178.874.10000112.1P483 F485 N493P483-V487 WeakPolarHBondContact CB-O 3.25Å; F485-V487 VanDerWaalsContact C-N 3.32Å; F485-V487 PolarHBondContact O-N 3.11Å; V487-N493 HydrophobicContact CB-CB 4.39Å; V487-N493 HydrophobicContact CG1-CB 3.96Å; V487-N493 HydrophobicContact CG2-CB 3.54Å
488A95Very high96.6Very high47 Ų4757 Ų5739%0.38835%0.352SS..SBendtrans-77.3158.4169.500000110.9G490 N493A488-G490 VanDerWaalsContact C-N 3.28Å; A488-G490 PolarHBondContact O-N 3.38Å; A488-N493 PolarHBondContact O-ND2 2.95Å
489E95.1Very high96.7Very high144 Ų14452 Ų5267%0.67332%0.317SS*.SBendtrans52.346.9179.1-60.4176.7-145.500112.6G491 L492 N493E489-G491 PolarHBondContact O-N 2.7Å; E489-L492 PolarHBondContact O-N 3.05Å; E489-L492 VanDerWaalsContact O-N 3.12Å; E489-N493 PolarHBondContact O-N 3.2Å; E489-N493 VanDerWaalsContact O-N 3.14Å
490G93.7Very high96.9Very high59 Ų5950.7 Ų50.761%0.60831%0.309SS*.BIsolated β-bridgetrans-54.5134.5177.400000111.7A488A488-G490 VanDerWaalsContact C-N 3.28Å; A488-G490 PolarHBondContact O-N 3.38Å
491G92.4Very high97.1Very high83 Ų8353.9 Ų53.986%0.85633%0.331SS*.THydrogen-bonded Turntrans103.6-33.2-172.900000112.9E489 N493E489-G491 PolarHBondContact O-N 2.7Å; G491-N493 PolarHBondContact N-O 3.4Å
492L96.6Very high97.4Very high136 Ų13651.2 Ų51.271%0.71232%0.323SS*.THydrogen-bonded Turntrans-87-43161.6179.761.7000110.6E489E489-L492 PolarHBondContact O-N 3.05Å; E489-L492 VanDerWaalsContact O-N 3.12Å
493N97.9Very high97.5Very high21 Ų2150.7 Ų50.711%0.11232%0.32CS..BIsolated β-bridgetrans-103.4145.1172.4-57.7-82.4000110.6V487 A488 E489 G491 D593V487-N493 HydrophobicContact CB-CB 4.39Å; V487-N493 HydrophobicContact CG1-CB 3.96Å; V487-N493 HydrophobicContact CG2-CB 3.54Å; A488-N493 PolarHBondContact O-ND2 2.95Å; E489-N493 PolarHBondContact O-N 3.2Å; E489-N493 VanDerWaalsContact O-N 3.14Å; G491-N493 PolarHBondContact N-O 3.4Å; N493-D593 WeakPolarHBondContact CA-OD2 3.46Å; N493-D593 PolarHBondContact OD1-N 3.24Å
494S98.1Very high97.5Very high52 Ų5250 Ų5036%0.36432%0.319SS..  trans-101-18177.4-58.40000113F485 F496 M497 D593F485-S494 VanDerWaalsContact CB-O 3.3Å; F485-S494 WeakPolarHBondContact CB-O 3.3Å; S494-F496 PolarHBondContact O-N 2.84Å; S494-M497 VanDerWaalsContact O-CB 3.22Å; S494-M497 WeakPolarHBondContact O-CB 3.48Å; S494-M497 PolarHBondContact O-N 2.79Å; S494-D593 PolarHBondContact N-OD1 2.89Å; S494-D593 PolarHBondContact N-OD2 3.26Å
495G98.3Very high97.6Very high7 Ų751 Ų517%0.07233%0.327CS..THydrogen-bonded Turntrans59.6-130.1174.100000112.9M497 D593 M596G495-M497 VanDerWaalsContact C-N 3.28Å; G495-M497 PolarHBondContact O-N 3.3Å; G495-D593 PolarHBondContact N-OD1 3.18Å; G495-M596 VanDerWaalsContact O-CE 3.28Å; G495-M596 WeakPolarHBondContact O-CE 3.4Å
496F98.7Very high97.6Very high8 Ų848.8 Ų48.84%0.03532%0.318CS..THydrogen-bonded Turntrans-83.46.8-178-79.1-108.3000114.5F485 L486 S494 I498 A499 H500 L558 A559 Q562 W590 M596F485-F496 PolarHBondContact O-N 3.19Å; L486-F496 HydrophobicContact CB-CD2 4.03Å; L486-F496 HydrophobicContact CD1-CD2 4.34Å; L486-F496 HydrophobicContact CD1-CG 4.33Å; S494-F496 PolarHBondContact O-N 2.84Å; F496-I498 PolarHBondContact O-N 2.68Å; F496-A499 HydrophobicContact CB-CB 4.33Å; F496-A499 HydrophobicContact CD1-CB 4.01Å; F496-A499 WeakPolarHBondContact O-CB 3.46Å; F496-A499 PolarHBondContact O-N 3.11Å; F496-A499 VanDerWaalsContact O-N 3.15Å; F496-H500 PolarHBondContact O-N 2.88Å; F496-L558 HydrophobicContact CE1-CB 3.82Å; F496-L558 HydrophobicContact CZ-CB 4.14Å; F496-A559 HydrophobicContact CD1-CB 3.97Å; F496-A559 HydrophobicContact CE1-CB 4.01Å; F496-Q562 HydrophobicContact CD2-CG 4.49Å; F496-Q562 HydrophobicContact CE2-CB 3.94Å; F496-Q562 HydrophobicContact CE2-CG 3.81Å; F496-Q562 HydrophobicContact CZ-CB 4.05Å; F496-Q562 HydrophobicContact CZ-CG 4.42Å; F496-W590 HydrophobicContact CE2-CB 3.96Å; F496-W590 HydrophobicContact CE2-CD2 4.43Å; F496-W590 HydrophobicContact CE2-CG 4.08Å; F496-M596 HydrophobicContact CD1-CE 4.44Å; F496-M596 HydrophobicContact CD2-CE 4.24Å; F496-M596 HydrophobicContact CE2-CE 4.39Å; F496-M596 HydrophobicContact CG-CE 4.26Å
497M98.6Very high97.6Very high67 Ų6749.1 Ų49.133%0.3332%0.32SS..Hα-helixtrans-51.4-52.5-176.5-175.9-170.4-61.300112.8F485 S494 G495 H500 C501F485-M497 HydrophobicContact CB-CB 4.34Å; F485-M497 HydrophobicContact CD1-CB 3.74Å; F485-M497 HydrophobicContact CD1-CG 4.13Å; F485-M497 HydrophobicContact CD2-CB 4.38Å; F485-M497 HydrophobicContact CD2-CE 3.79Å; F485-M497 HydrophobicContact CE1-CB 4.11Å; F485-M497 HydrophobicContact CE1-CG 3.97Å; F485-M497 HydrophobicContact CE2-CE 3.56Å; F485-M497 HydrophobicContact CG-CB 3.88Å; F485-M497 HydrophobicContact CG-CE 4.4Å; F485-M497 HydrophobicContact CZ-CE 3.99Å; F485-M497 HydrophobicContact CZ-CG 4.21Å; S494-M497 VanDerWaalsContact O-CB 3.22Å; S494-M497 WeakPolarHBondContact O-CB 3.48Å; S494-M497 PolarHBondContact O-N 2.79Å; G495-M497 VanDerWaalsContact C-N 3.28Å; G495-M497 PolarHBondContact O-N 3.3Å; M497-H500 PolarHBondContact O-N 3.42Å; M497-C501 PolarHBondContact O-N 3.02Å; M497-C501 PolarHBondContact O-SG 2.92Å
498I98.4Very high97.7Very high110 Ų11052.3 Ų52.356%0.56434%0.343SS*.Hα-helixtrans-80.6-25.4-178.5-57.6-54.8000112.1F496 H500 C501 T502F496-I498 PolarHBondContact O-N 2.68Å; I498-H500 VanDerWaalsContact C-N 3.27Å; I498-H500 PolarHBondContact O-N 3.24Å; I498-C501 WeakPolarHBondContact O-CB 3.38Å; I498-C501 PolarHBondContact O-N 2.73Å; I498-T502 PolarHBondContact O-N 3.35Å; I498-T502 PolarHBondContact O-OG1 3.18Å
499A98.6Very high97.8Very high3 Ų354.7 Ų54.73%0.02535%0.346CS..Hα-helixtrans-58.2-44.4169.600000110.9F496 T502 A503 I555 M596F496-A499 HydrophobicContact CB-CB 4.33Å; F496-A499 HydrophobicContact CD1-CB 4.01Å; F496-A499 WeakPolarHBondContact O-CB 3.46Å; F496-A499 PolarHBondContact O-N 3.11Å; F496-A499 VanDerWaalsContact O-N 3.15Å; A499-T502 WeakPolarHBondContact O-CB 3.49Å; A499-T502 PolarHBondContact O-N 3.31Å; A499-A503 PolarHBondContact O-N 3.02Å; A499-I555 HydrophobicContact CB-CG2 3.9Å; A499-M596 HydrophobicContact CB-CE 4.33Å; A499-M596 HydrophobicContact CB-SD 3.24Å; A499-M596 WeakPolarHBondContact CB-SD 3.37Å
500H98.8Very high98Very high32 Ų3247.8 Ų47.815%0.14831%0.314CS..Hα-helixtrans-64.1-42.7176-179.1-147.5000111.6E468 I471 F496 M497 I498 T502 A503 A504E468-H500 IonicContact OE1-CD2 3.27Å; E468-H500 IonicContact OE1-CE1 3.87Å; E468-H500 IonicContact OE1-NE2 2.68Å; E468-H500 PolarHBondContact OE1-NE2 3.22Å; I471-H500 HydrophobicContact CG2-CB 3.92Å; F496-H500 PolarHBondContact O-N 2.88Å; M497-H500 PolarHBondContact O-N 3.42Å; I498-H500 VanDerWaalsContact C-N 3.27Å; I498-H500 PolarHBondContact O-N 3.24Å; H500-T502 VanDerWaalsContact C-N 3.3Å; H500-T502 PolarHBondContact O-N 3.32Å; H500-A503 PolarHBondContact O-N 3.21Å; H500-A504 WeakPolarHBondContact O-CB 3.25Å; H500-A504 PolarHBondContact O-N 2.81Å
501C98.8Very high98.2Very high71 Ų7151.4 Ų51.448%0.4831%0.312SS..Hα-helixtrans-57.2-42.1172.8-64.80000112.6M497 I498 A504 A505M497-C501 PolarHBondContact O-N 3.02Å; M497-C501 PolarHBondContact O-SG 2.92Å; I498-C501 WeakPolarHBondContact O-CB 3.38Å; I498-C501 PolarHBondContact O-N 2.73Å; C501-A504 PolarHBondContact O-N 3.2Å; C501-A505 WeakPolarHBondContact O-CB 3.39Å; C501-A505 PolarHBondContact O-N 3.18Å
502T98.8Very high98.5Very high61 Ų6151 Ų5137%0.37430%0.301SS..Hα-helixtrans-59.7-49174.9-61.30000110.9I498 A499 H500 A504 A505 L506 I555I498-T502 PolarHBondContact O-N 3.35Å; I498-T502 PolarHBondContact O-OG1 3.18Å; A499-T502 WeakPolarHBondContact O-CB 3.49Å; A499-T502 PolarHBondContact O-N 3.31Å; H500-T502 VanDerWaalsContact C-N 3.3Å; H500-T502 PolarHBondContact O-N 3.32Å; T502-A504 VanDerWaalsContact C-N 3.33Å; T502-A504 PolarHBondContact O-N 3.02Å; T502-A505 PolarHBondContact O-N 3.39Å; T502-L506 HydrophobicContact CG2-CD1 4.29Å; T502-L506 WeakPolarHBondContact O-CG 3.39Å; T502-L506 PolarHBondContact O-N 3.48Å; T502-L506 VanDerWaalsContact O-N 3.1Å; T502-I555 HydrophobicContact CG2-CD1 4.17Å
503A98.9Very high98.6Very high0 Ų045.6 Ų45.60%027%0.273CS..Hα-helixtrans-59.1-44.4177.700000111.9E468 I471 A499 H500 A505 L506 V507 V552 I555E468-A503 HydrophobicContact CG-CB 4.08Å; I471-A503 HydrophobicContact CD1-CB 3.74Å; A499-A503 PolarHBondContact O-N 3.02Å; H500-A503 PolarHBondContact O-N 3.21Å; A503-A505 PolarHBondContact O-N 2.95Å; A503-L506 PolarHBondContact O-N 2.85Å; A503-V507 WeakPolarHBondContact O-CG2 3.14Å; A503-V507 PolarHBondContact O-N 2.96Å; A503-V552 HydrophobicContact CB-CG1 4.31Å; A503-V552 HydrophobicContact CB-CG2 4.2Å; A503-I555 HydrophobicContact CB-CD1 4.02Å
504A98.8Very high98.6Very high37 Ų3745.4 Ų45.431%0.30627%0.273SS..Hα-helixtrans-62-40.2177.600000112.8E468 H500 C501 T502 S508E468-A504 HydrophobicContact CG-CB 4.36Å; H500-A504 WeakPolarHBondContact O-CB 3.25Å; H500-A504 PolarHBondContact O-N 2.81Å; C501-A504 PolarHBondContact O-N 3.2Å; T502-A504 VanDerWaalsContact C-N 3.33Å; T502-A504 PolarHBondContact O-N 3.02Å; A504-S508 WeakPolarHBondContact O-CB 3.47Å; A504-S508 PolarHBondContact O-N 3.13Å
505A98.9Very high98.7Very high59 Ų5949.2 Ų49.249%0.48829%0.285SS..Hα-helixtrans-62.8-47176.700000111.6C501 T502 A503 V507 S508 E509C501-A505 WeakPolarHBondContact O-CB 3.39Å; C501-A505 PolarHBondContact O-N 3.18Å; T502-A505 PolarHBondContact O-N 3.39Å; A503-A505 PolarHBondContact O-N 2.95Å; A505-V507 PolarHBondContact O-N 3.12Å; A505-S508 WeakPolarHBondContact O-CB 3.46Å; A505-S508 PolarHBondContact O-N 3.06Å; A505-S508 VanDerWaalsContact O-N 3.13Å; A505-E509 PolarHBondContact O-N 3.2Å
506L98.8Very high98.6Very high24 Ų2450.6 Ų50.613%0.12629%0.292CS..Hα-helixtrans-62.9-42.7178.6-63.8175.8000112.1T502 A503 S508 E509 N510 H548 Q551 V552T502-L506 HydrophobicContact CG2-CD1 4.29Å; T502-L506 WeakPolarHBondContact O-CG 3.39Å; T502-L506 PolarHBondContact O-N 3.48Å; T502-L506 VanDerWaalsContact O-N 3.1Å; A503-L506 PolarHBondContact O-N 2.85Å; L506-S508 VanDerWaalsContact C-N 3.3Å; L506-S508 PolarHBondContact O-N 3.48Å; L506-E509 PolarHBondContact O-N 2.68Å; L506-N510 PolarHBondContact O-N 3.32Å; L506-H548 HydrophobicContact CB-CB 4.17Å; L506-Q551 HydrophobicContact CD1-CB 3.8Å; L506-V552 HydrophobicContact CB-CG2 4.02Å; L506-V552 HydrophobicContact CD1-CG2 4.18Å
507V98.9Very high98.5Very high7 Ų750.7 Ų50.74%0.04229%0.294CS..Hα-helixtrans-62.5-39.7173.9172.80000111H461 A464 A465 E468 A503 A505 N510 K511 V552H461-V507 PolarHBondContact CE1-O 3.34Å; A464-V507 HydrophobicContact CB-CG2 3.9Å; A464-V507 WeakPolarHBondContact O-CG2 3.43Å; A465-V507 HydrophobicContact CB-CG1 4.29Å; E468-V507 HydrophobicContact CB-CG2 3.69Å; E468-V507 HydrophobicContact CG-CG2 4.11Å; A503-V507 WeakPolarHBondContact O-CG2 3.14Å; A503-V507 PolarHBondContact O-N 2.96Å; A505-V507 PolarHBondContact O-N 3.12Å; V507-N510 PolarHBondContact O-N 3.47Å; V507-K511 PolarHBondContact O-N 2.92Å; V507-V552 HydrophobicContact CG2-CG1 4.47Å; V507-V552 HydrophobicContact CG2-CG2 4.06Å
508S98.8Very high98.5Very high70 Ų7047.9 Ų47.949%0.4928%0.281SS..Hα-helixtrans-65.7-42.3177.3-1690000112.3A504 A505 L506 N510 K511A504-S508 WeakPolarHBondContact O-CB 3.47Å; A504-S508 PolarHBondContact O-N 3.13Å; A505-S508 WeakPolarHBondContact O-CB 3.46Å; A505-S508 PolarHBondContact O-N 3.06Å; A505-S508 VanDerWaalsContact O-N 3.13Å; L506-S508 VanDerWaalsContact C-N 3.3Å; L506-S508 PolarHBondContact O-N 3.48Å; S508-N510 VanDerWaalsContact C-N 3.33Å; S508-N510 PolarHBondContact O-N 3.02Å; S508-K511 WeakPolarHBondContact O-CB 3.14Å; S508-K511 PolarHBondContact O-N 2.69Å
509E98.8Very high98.4Very high97 Ų9747.5 Ų47.545%0.45328%0.284SS..Hα-helixtrans-62.7-41.2176.9-171.2176.6152.700111.6A505 L506 K511 A512 L513 H548A505-E509 PolarHBondContact O-N 3.2Å; L506-E509 PolarHBondContact O-N 2.68Å; E509-K511 PolarHBondContact O-N 3.3Å; E509-A512 PolarHBondContact O-N 3.48Å; E509-L513 HydrophobicContact CG-CD1 4.19Å; E509-L513 PolarHBondContact O-N 2.93Å; E509-H548 IonicContact OE1-CE1 3.26Å; E509-H548 IonicContact OE2-CE1 3.14Å
510N98.8Very high98.3Very high0 Ų051.5 Ų51.50%031%0.305CS..Hα-helixtrans-55.7-34.8176.5-76.5-15.6000113H461 L506 V507 S508 A512 L513 C514 V545 H548H461-N510 WeakPolarHBondContact ND1-CB 3.37Å; L506-N510 PolarHBondContact O-N 3.32Å; V507-N510 PolarHBondContact O-N 3.47Å; S508-N510 VanDerWaalsContact C-N 3.33Å; S508-N510 PolarHBondContact O-N 3.02Å; N510-A512 VanDerWaalsContact C-N 3.25Å; N510-A512 PolarHBondContact O-N 3.08Å; N510-L513 CarbonylContact O-C 3.55Å; N510-L513 PolarHBondContact O-N 3.09Å; N510-L513 VanDerWaalsContact O-N 3.08Å; N510-C514 WeakPolarHBondContact O-CB 3.31Å; N510-C514 PolarHBondContact O-N 2.96Å; N510-C514 PolarHBondContact O-SG 3.43Å; N510-V545 HydrophobicContact CB-CG1 4.45Å; N510-V545 HydrophobicContact CB-CG2 4.46Å; N510-V545 WeakPolarHBondContact OD1-CA 3.44Å; N510-H548 WeakPolarHBondContact ND2-CB 3.42Å; N510-H548 WeakPolarHBondContact OD1-CB 3.46Å; N510-H548 PolarHBondContact OD1-ND1 3.4Å
511K98.4Very high98.2Very high134 Ų13451.8 Ų51.858%0.58331%0.31SS*.Hα-helixtrans-58.9-38.1178.5-63.7172.2-174.91750112.2V507 S508 E509V507-K511 PolarHBondContact O-N 2.92Å; S508-K511 WeakPolarHBondContact O-CB 3.14Å; S508-K511 PolarHBondContact O-N 2.69Å; E509-K511 PolarHBondContact O-N 3.3Å
512A98.6Very high98.1Very high74 Ų7453.7 Ų53.761%0.61232%0.315SS*.Hα-helixtrans-73-41.3174.800000111.4E509 N510 C514 H515E509-A512 PolarHBondContact O-N 3.48Å; N510-A512 VanDerWaalsContact C-N 3.25Å; N510-A512 PolarHBondContact O-N 3.08Å; A512-C514 VanDerWaalsContact C-N 3.25Å; A512-C514 PolarHBondContact O-N 3.3Å; A512-H515 VanDerWaalsContact O-CB 3.28Å; A512-H515 WeakPolarHBondContact O-CB 3.34Å; A512-H515 PolarHBondContact O-N 3.3Å; A512-H515 VanDerWaalsContact O-N 3.1Å
513L98.5Very high97.8Very high23 Ų2354.1 Ų54.112%0.1232%0.32CS..Hα-helixtrans-66.1-25.5177.9-64.8171.7000113.4E509 N510 H515 W537 K541 R544 V545E509-L513 HydrophobicContact CG-CD1 4.19Å; E509-L513 PolarHBondContact O-N 2.93Å; N510-L513 CarbonylContact O-C 3.55Å; N510-L513 PolarHBondContact O-N 3.09Å; N510-L513 VanDerWaalsContact O-N 3.08Å; L513-H515 PolarHBondContact O-N 2.76Å; L513-W537 HydrophobicContact CD2-CH2 4.25Å; L513-W537 HydrophobicContact CD2-CZ2 4.39Å; L513-K541 HydrophobicContact CD2-CB 4.26Å; L513-K541 WeakPolarHBondContact O-CD 3.26Å; L513-K541 PolarHBondContact O-NZ 3.45Å; L513-R544 HydrophobicContact CD1-CB 4.26Å; L513-R544 HydrophobicContact CD1-CG 3.57Å; L513-V545 HydrophobicContact CB-CG2 3.65Å; L513-V545 HydrophobicContact CD1-CG2 4.11Å
514C98.6Very high97.5Very high18 Ų1856.1 Ų56.112%0.12233%0.333CS..THydrogen-bonded Turntrans-73.3-9.6174.1-70.80000113.2A457 I458 H461 N510 A512A457-C514 PolarHBondContact O-SG 3.27Å; A457-C514 VanDerWaalsContact O-SG 3.41Å; I458-C514 HydrophobicContact CG1-CB 4.19Å; H461-C514 VanDerWaalsContact CB-SG 3.59Å; N510-C514 WeakPolarHBondContact O-CB 3.31Å; N510-C514 PolarHBondContact O-N 2.96Å; N510-C514 PolarHBondContact O-SG 3.43Å; A512-C514 VanDerWaalsContact C-N 3.25Å; A512-C514 PolarHBondContact O-N 3.3Å
515H98.4Very high97Very high132 Ų13257 Ų5761%0.61134%0.337SS*.SBendtrans-60.3124.6169.3-171.378.7000109.2A512 L513 S517 K541A512-H515 VanDerWaalsContact O-CB 3.28Å; A512-H515 WeakPolarHBondContact O-CB 3.34Å; A512-H515 PolarHBondContact O-N 3.3Å; A512-H515 VanDerWaalsContact O-N 3.1Å; L513-H515 PolarHBondContact O-N 2.76Å; H515-S517 PolarHBondContact O-N 2.83Å; H515-K541 WeakPolarHBondContact O-CE 3.44Å; H515-K541 PolarHBondContact O-NZ 3.42Å
516P98.1Very high96.6Very high36 Ų3657.7 Ų57.723%0.23434%0.342CS..  trans-67.1132.3-173.925.3-32.4000110.4D454 V519D454-P516 HydrophobicContact CB-CB 4.18Å; D454-P516 VanDerWaalsContact OD2-CA 3.31Å; D454-P516 WeakPolarHBondContact OD2-CA 3.25Å; D454-P516 VanDerWaalsContact OD2-CB 3.3Å; D454-P516 WeakPolarHBondContact OD2-CB 3.38Å; P516-V519 HydrophobicContact CB-CG1 4.16Å; P516-V519 HydrophobicContact CB-CG2 4.25Å; P516-V519 HydrophobicContact CG-CG1 4.04Å; P516-V519 HydrophobicContact CG-CG2 3.83Å; P516-V519 WeakPolarHBondContact O-CG2 3.42Å
517S96.2Very high96.1Very high9 Ų959.6 Ų59.66%0.06336%0.361CS..SBendtrans-87.8-23.7172.657.30000112.1D454 H515 V519 D520 M534 A538 K541D454-S517 PolarHBondContact OD1-N 2.97Å; D454-S517 PolarHBondContact OD2-N 3.05Å; H515-S517 PolarHBondContact O-N 2.83Å; S517-V519 PolarHBondContact O-N 3.29Å; S517-V519 VanDerWaalsContact O-N 3.13Å; S517-D520 PolarHBondContact O-N 2.87Å; S517-D520 VanDerWaalsContact O-N 3.1Å; S517-M534 WeakPolarHBondContact O-CB 3.35Å; S517-A538 WeakPolarHBondContact OG-CA 3.04Å; S517-A538 WeakPolarHBondContact OG-CB 3.41Å; S517-A538 PolarHBondContact OG-N 2.96Å; S517-A538 VanDerWaalsContact OG-N 3.14Å; S517-K541 WeakPolarHBondContact OG-CE 3.3Å
518S97.4Very high95.6Very high9 Ų962.6 Ų62.66%0.06338%0.38CS..THydrogen-bonded Turntrans-72.64.1179.566.10000114.9K451 D454 S533K451-S518 PolarHBondContact NZ-O 3.3Å; D454-S518 WeakPolarHBondContact OD2-CB 3.5Å; D454-S518 PolarHBondContact OD2-N 3.31Å; D454-S518 PolarHBondContact OD2-OG 3.34Å; S518-S533 WeakPolarHBondContact CA-O 3.33Å
519V97.2Very high95.3Very high102 Ų10260.6 Ų60.662%0.61836%0.363SS*.THydrogen-bonded Turntrans-102.1-2.3170.8-58.10000112.2P516 S517P516-V519 HydrophobicContact CB-CG1 4.16Å; P516-V519 HydrophobicContact CB-CG2 4.25Å; P516-V519 HydrophobicContact CG-CG1 4.04Å; P516-V519 HydrophobicContact CG-CG2 3.83Å; P516-V519 WeakPolarHBondContact O-CG2 3.42Å; S517-V519 PolarHBondContact O-N 3.29Å; S517-V519 VanDerWaalsContact O-N 3.13Å
520D96.8Very high95Very high87 Ų8761.6 Ų61.647%0.46537%0.371SS..  trans-101.9148.1174.7-171.326.3000110.6S517 M534S517-D520 PolarHBondContact O-N 2.87Å; S517-D520 VanDerWaalsContact O-N 3.1Å; D520-M534 HydrophobicContact CB-CG 4.5Å; D520-M534 VanDerWaalsContact O-CG 3.31Å; D520-M534 WeakPolarHBondContact O-CG 3.36Å
521S96.6Very high94.9Very high38 Ų3866.3 Ų66.327%0.26639%0.393SS..  trans-158.3133.9176.9174.20000109.8H531 V532S521-H531 WeakPolarHBondContact OG-CA 3.35Å; S521-V532 PolarHBondContact OG-N 3.02Å
522L95.3Very high94.8Very high111 Ų11160 Ų6058%0.58137%0.366SS*.  trans-125.3131.8176.3-64.8174.5000109.1T524 M534L522-T524 PolarHBondContact O-N 3.07Å; L522-M534 HydrophobicContact CB-CE 4.17Å; L522-M534 HydrophobicContact CD1-CE 4.47Å; L522-M534 HydrophobicContact CG-CE 4.18Å
523S94Very high94.8Very high69 Ų6956.5 Ų56.548%0.48334%0.337SS..  trans-68.7127.7179.6-1780000111.5A527 E529S523-A527 VanDerWaalsContact OG-CA 3.27Å; S523-A527 WeakPolarHBondContact OG-CA 3.48Å; S523-E529 CarbonylContact C-O 3.51Å; S523-E529 VanDerWaalsContact CA-O 3.29Å; S523-E529 WeakPolarHBondContact CA-O 3.35Å; S523-E529 PolarHBondContact OG-O 3.34Å
524T92.3Very high94.7Very high43 Ų4356.7 Ų56.726%0.26434%0.337SS..BIsolated β-bridgetrans-119.9177.9178.862.20000110.8L522 A526 A527 E529L522-T524 PolarHBondContact O-N 3.07Å; T524-A526 PolarHBondContact O-N 3.06Å; T524-A526 VanDerWaalsContact O-N 3.1Å; T524-A527 PolarHBondContact O-N 2.84Å; T524-E529 PolarHBondContact N-O 3.13Å; T524-E529 PolarHBondContact O-N 3.4Å; T524-E529 WeakPolarHBondContact OG1-CB 3.44Å; T524-E529 PolarHBondContact OG1-OE2 3.4Å; T524-E529 VanDerWaalsContact OG1-OE2 3.13Å
525S88.8Confident94.7Very high56 Ų5655.8 Ų55.839%0.39233%0.331SS..G310 helixtrans5439.8174.2-59.80000113.6A527 T528 E529S525-A527 PolarHBondContact O-N 3.48Å; S525-T528 WeakPolarHBondContact O-CB 3.33Å; S525-T528 PolarHBondContact O-N 3.38Å; S525-T528 PolarHBondContact O-OG1 3.19Å; S525-E529 PolarHBondContact OG-OE1 3.42Å
526A89.8Confident94.6Very high72 Ų7249.7 Ų49.760%0.59530%0.304SS*.G310 helixtrans50.950.4-175.400000113.3K172 T524 T528K172-A526 HydrophobicContact CD-CB 4.06Å; T524-A526 PolarHBondContact O-N 3.06Å; T524-A526 VanDerWaalsContact O-N 3.1Å; A526-T528 VanDerWaalsContact C-N 3.26Å; A526-T528 PolarHBondContact O-N 3.17Å
527A89.3Confident94.6Very high64 Ų6453.5 Ų53.553%0.52931%0.314SS..G310 helixtrans66.219.2-179.800000115.9S523 T524 S525S523-A527 VanDerWaalsContact OG-CA 3.27Å; S523-A527 WeakPolarHBondContact OG-CA 3.48Å; T524-A527 PolarHBondContact O-N 2.84Å; S525-A527 PolarHBondContact O-N 3.48Å
528T87.3Confident94.7Very high71 Ų7153.1 Ų53.144%0.43631%0.311SS..THydrogen-bonded Turntrans-79.4-37.4166.5-510000110.9S525 A526S525-T528 WeakPolarHBondContact O-CB 3.33Å; S525-T528 PolarHBondContact O-N 3.38Å; S525-T528 PolarHBondContact O-OG1 3.19Å; A526-T528 VanDerWaalsContact C-N 3.26Å; A526-T528 PolarHBondContact O-N 3.17Å
529E91.8Very high94.7Very high27 Ų2752.7 Ų52.713%0.12631%0.308CS..BIsolated β-bridgetrans-103.282.8172.2-74.7168.4-129.500106.7A253 S254 S523 T524 S525A253-E529 HydrophobicContact CB-CG 4.47Å; S254-E529 PolarHBondContact OG-OE1 3.13Å; S523-E529 CarbonylContact C-O 3.51Å; S523-E529 VanDerWaalsContact CA-O 3.29Å; S523-E529 WeakPolarHBondContact CA-O 3.35Å; S523-E529 PolarHBondContact OG-O 3.34Å; T524-E529 PolarHBondContact N-O 3.13Å; T524-E529 PolarHBondContact O-N 3.4Å; T524-E529 WeakPolarHBondContact OG1-CB 3.44Å; T524-E529 PolarHBondContact OG1-OE2 3.4Å; T524-E529 VanDerWaalsContact OG1-OE2 3.13Å; S525-E529 PolarHBondContact OG-OE1 3.42Å
530D94Very high94.7Very high118 Ų11850.2 Ų50.263%0.63129%0.288SS*.  trans-91.6-14.3-173.660.1-8.8000113.8
531H96.4Very high94.8Very high100 Ų10046.1 Ų46.146%0.46327%0.266SS..  trans-137.3134.1172.2-172.7-77.7000111.3H445 E447 S521H445-H531 AromaticContact CE1-CE1 3.98Å; H445-H531 AromaticContact CE1-ND1 3.59Å; H445-H531 AromaticContact NE2-CE1 3.92Å; H445-H531 AromaticContact NE2-ND1 3.1Å; H445-H531 PolarHBondContact NE2-ND1 2.69Å; H445-H531 VanDerWaalsContact NE2-ND1 3.1Å; H445-H531 PolarHBondContact NE2-O 3.24Å; E447-H531 IonicContact OE2-CE1 2.84Å; S521-H531 WeakPolarHBondContact OG-CA 3.35Å
532V96.9Very high94.9Very high1 Ų144.3 Ų44.31%0.00625%0.253CS..  trans-139.8159-175.7-45.30000110.7V251 A253 S521 M534V251-V532 HydrophobicContact CB-CB 4.14Å; V251-V532 HydrophobicContact CB-CG1 4.4Å; V251-V532 HydrophobicContact CB-CG2 4.03Å; V251-V532 HydrophobicContact CG2-CB 4.32Å; V251-V532 HydrophobicContact CG2-CG1 4.17Å; A253-V532 HydrophobicContact CB-CB 3.65Å; A253-V532 HydrophobicContact CB-CG1 3.29Å; S521-V532 PolarHBondContact OG-N 3.02Å; V532-M534 HydrophobicContact CG2-CE 3.55Å; V532-M534 HydrophobicContact CG2-CG 4.19Å; V532-M534 HydrophobicContact CG2-SD 3.83Å
533S97.1Very high95.1Very high0 Ų039.3 Ų39.30%023%0.227CC..  trans-93.6-18.1-173.2650000115.8V251 G252 G446 E447 A450 S518 G535V251-S533 PolarHBondContact O-N 3.39Å; G252-S533 WeakPolarHBondContact CA-OG 3.48Å; G252-S533 PolarHBondContact O-OG 3.23Å; G446-S533 VanDerWaalsContact C-CB 3.43Å; G446-S533 WeakPolarHBondContact CA-OG 3.35Å; G446-S533 PolarHBondContact O-OG 2.84Å; E447-S533 WeakPolarHBondContact OE2-CA 3.24Å; E447-S533 VanDerWaalsContact OE2-CB 3.28Å; E447-S533 WeakPolarHBondContact OE2-CB 3.38Å; A450-S533 WeakPolarHBondContact CB-O 3.21Å; S518-S533 WeakPolarHBondContact CA-O 3.33Å; S533-G535 PolarHBondContact O-N 3.34Å; S533-G535 PolarHBondContact OG-N 3.11Å
534M97.7Very high95.3Very high27 Ų2740.9 Ų40.913%0.13322%0.222CC..  trans53.324.5-170.5-56.4-59.9-17100113.9V251 S517 D520 L522 V532 G536 W537 A538V251-M534 HydrophobicContact CB-SD 4.21Å; V251-M534 HydrophobicContact CG1-SD 4.19Å; V251-M534 WeakPolarHBondContact O-CA 3.39Å; V251-M534 PolarHBondContact O-N 3.04Å; S517-M534 WeakPolarHBondContact O-CB 3.35Å; D520-M534 HydrophobicContact CB-CG 4.5Å; D520-M534 VanDerWaalsContact O-CG 3.31Å; D520-M534 WeakPolarHBondContact O-CG 3.36Å; L522-M534 HydrophobicContact CB-CE 4.17Å; L522-M534 HydrophobicContact CD1-CE 4.47Å; L522-M534 HydrophobicContact CG-CE 4.18Å; V532-M534 HydrophobicContact CG2-CE 3.55Å; V532-M534 HydrophobicContact CG2-CG 4.19Å; V532-M534 HydrophobicContact CG2-SD 3.83Å; M534-G536 VanDerWaalsContact C-N 3.28Å; M534-G536 PolarHBondContact O-N 2.62Å; M534-W537 PolarHBondContact O-N 3.26Å; M534-A538 PolarHBondContact O-N 3.05Å
535G97.3Very high95.6Very high0 Ų038.8 Ų38.80%021%0.21CC..Hα-helixtrans-63.8-27.4-171.200000115A450 S533 W537 A538 A539A450-G535 VanDerWaalsContact CB-CA 3.43Å; S533-G535 PolarHBondContact O-N 3.34Å; S533-G535 PolarHBondContact OG-N 3.11Å; G535-W537 PolarHBondContact O-N 2.66Å; G535-A538 WeakPolarHBondContact O-CB 3.45Å; G535-A538 PolarHBondContact O-N 3.04Å; G535-A538 VanDerWaalsContact O-N 3.14Å; G535-A539 PolarHBondContact O-N 3.29Å
536G96.6Very high96.1Very high4 Ų436.1 Ų36.14%0.04119%0.191CC..Hα-helixtrans-66.6-28.5176.400000112.9M534 R540M534-G536 VanDerWaalsContact C-N 3.28Å; M534-G536 PolarHBondContact O-N 2.62Å; G536-R540 WeakPolarHBondContact O-CG 3.48Å; G536-R540 PolarHBondContact O-N 2.95Å
537W97.4Very high96.5Very high116 Ų11635.2 Ų35.244%0.43917%0.174SC..Hα-helixtrans-75.6-40.3170.1-178.8-141.5000111.4L513 M534 G535 A539 R540 K541L513-W537 HydrophobicContact CD2-CH2 4.25Å; L513-W537 HydrophobicContact CD2-CZ2 4.39Å; M534-W537 PolarHBondContact O-N 3.26Å; G535-W537 PolarHBondContact O-N 2.66Å; W537-A539 VanDerWaalsContact C-N 3.31Å; W537-A539 PolarHBondContact O-N 2.83Å; W537-R540 HydrophobicContact CE3-CB 4.17Å; W537-R540 VanDerWaalsContact CE3-NH2 3.32Å; W537-R540 HydrophobicContact CZ3-CB 4.36Å; W537-R540 PolarHBondContact O-N 3.31Å; W537-K541 HydrophobicContact CD2-CB 4.48Å; W537-K541 HydrophobicContact CD2-CD 4.33Å; W537-K541 HydrophobicContact CE3-CB 4.39Å; W537-K541 HydrophobicContact CG-CD 4.48Å; W537-K541 HydrophobicContact CH2-CB 4.16Å; W537-K541 HydrophobicContact CZ2-CB 4.23Å; W537-K541 HydrophobicContact CZ2-CD 4.47Å; W537-K541 HydrophobicContact CZ3-CB 4.25Å; W537-K541 WeakPolarHBondContact O-CG 3.3Å; W537-K541 PolarHBondContact O-N 3.3Å
538A98.4Very high97Very high0 Ų032.5 Ų32.50%015%0.151CC..Hα-helixtrans-55.4-44.9175.600000112.4L453 S517 M534 G535 K541 A542L453-A538 HydrophobicContact CB-CB 4.15Å; S517-A538 WeakPolarHBondContact OG-CA 3.04Å; S517-A538 WeakPolarHBondContact OG-CB 3.41Å; S517-A538 PolarHBondContact OG-N 2.96Å; S517-A538 VanDerWaalsContact OG-N 3.14Å; M534-A538 PolarHBondContact O-N 3.05Å; G535-A538 WeakPolarHBondContact O-CB 3.45Å; G535-A538 PolarHBondContact O-N 3.04Å; G535-A538 VanDerWaalsContact O-N 3.14Å; A538-K541 WeakPolarHBondContact O-CG 3.47Å; A538-A542 WeakPolarHBondContact O-CB 3.44Å; A538-A542 PolarHBondContact O-N 3.28Å
539A98.4Very high97.6Very high0 Ų029.1 Ų29.10%013%0.13CC..Hα-helixtrans-65.9-46.317900000113.1I312 L315 L453 G535 W537 A542 L543I312-A539 HydrophobicContact CG2-CB 4.41Å; L315-A539 HydrophobicContact CB-CB 3.77Å; L315-A539 HydrophobicContact CD1-CB 4.07Å; L453-A539 HydrophobicContact CD1-CB 3.62Å; G535-A539 PolarHBondContact O-N 3.29Å; W537-A539 VanDerWaalsContact C-N 3.31Å; W537-A539 PolarHBondContact O-N 2.83Å; A539-A542 PolarHBondContact O-N 3.36Å; A539-L543 PolarHBondContact O-N 3Å; A539-L543 VanDerWaalsContact O-N 3.12Å
540R98Very high97.9Very high50 Ų5028 Ų2819%0.18913%0.125CC..Hα-helixtrans-66.3-40.6-179.2-71.3-170.4-59.41238.9112.2E247 K248 L315 G536 W537 L543 R544E247-R540 WeakPolarHBondContact O-CD 3.22Å; E247-R540 PolarHBondContact O-NE 3.48Å; E247-R540 IonicContact OE1-CZ 2.74Å; E247-R540 IonicContact OE1-NH1 3.63Å; E247-R540 PolarHBondContact OE1-NH1 2.89Å; K248-R540 VanDerWaalsContact CE-NH1 3.26Å; L315-R540 HydrophobicContact CD1-CG 3.87Å; G536-R540 WeakPolarHBondContact O-CG 3.48Å; G536-R540 PolarHBondContact O-N 2.95Å; W537-R540 HydrophobicContact CE3-CB 4.17Å; W537-R540 VanDerWaalsContact CE3-NH2 3.32Å; W537-R540 HydrophobicContact CZ3-CB 4.36Å; W537-R540 PolarHBondContact O-N 3.31Å; R540-L543 PolarHBondContact O-N 3.31Å; R540-R544 PolarHBondContact O-N 3.42Å; R540-R544 VanDerWaalsContact O-N 3.1Å
541K98Very high98.1Very high1 Ų124.7 Ų24.70%0.00411%0.105CC..Hα-helixtrans-70.8-36.5177.275.8-165.7-175.681.50112.3D454 L513 H515 S517 W537 A538 L543 R544 V545D454-K541 WeakPolarHBondContact OD1-CE 3.18Å; D454-K541 IonicContact OD1-NZ 2.94Å; D454-K541 PolarHBondContact OD1-NZ 3.2Å; L513-K541 HydrophobicContact CD2-CB 4.26Å; L513-K541 WeakPolarHBondContact O-CD 3.26Å; L513-K541 PolarHBondContact O-NZ 3.45Å; H515-K541 WeakPolarHBondContact O-CE 3.44Å; H515-K541 PolarHBondContact O-NZ 3.42Å; S517-K541 WeakPolarHBondContact OG-CE 3.3Å; W537-K541 HydrophobicContact CD2-CB 4.48Å; W537-K541 HydrophobicContact CD2-CD 4.33Å; W537-K541 HydrophobicContact CE3-CB 4.39Å; W537-K541 HydrophobicContact CG-CD 4.48Å; W537-K541 HydrophobicContact CH2-CB 4.16Å; W537-K541 HydrophobicContact CZ2-CB 4.23Å; W537-K541 HydrophobicContact CZ2-CD 4.47Å; W537-K541 HydrophobicContact CZ3-CB 4.25Å; W537-K541 WeakPolarHBondContact O-CG 3.3Å; W537-K541 PolarHBondContact O-N 3.3Å; A538-K541 WeakPolarHBondContact O-CG 3.47Å; K541-L543 PolarHBondContact O-N 3.46Å; K541-R544 PolarHBondContact O-N 3.29Å; K541-V545 WeakPolarHBondContact O-CG2 3.25Å; K541-V545 PolarHBondContact O-N 3.04Å
542A98.8Very high98.2Very high0 Ų019.9 Ų19.90%08%0.083CC..Hα-helixtrans-58.5-46.217300000111.8L453 A457 A538 A539 R544 V545 I546L453-A542 HydrophobicContact CB-CB 4.39Å; A457-A542 HydrophobicContact CB-CB 4.19Å; A538-A542 WeakPolarHBondContact O-CB 3.44Å; A538-A542 PolarHBondContact O-N 3.28Å; A539-A542 PolarHBondContact O-N 3.36Å; A542-R544 VanDerWaalsContact C-N 3.35Å; A542-R544 PolarHBondContact O-N 3.07Å; A542-V545 PolarHBondContact O-N 2.91Å; A542-I546 WeakPolarHBondContact O-CD1 3.33Å; A542-I546 VanDerWaalsContact O-CG1 3.27Å; A542-I546 WeakPolarHBondContact O-CG1 3.49Å; A542-I546 PolarHBondContact O-N 3.05Å
543L98.8Very high98.3Very high7 Ų719.9 Ų19.94%0.0378%0.083CC..Hα-helixtrans-60.7-41175.1-76.8169000112.8L315 E318 A319 A539 R540 K541 I546 E547L315-L543 HydrophobicContact CB-CD1 3.92Å; L315-L543 HydrophobicContact CD1-CD1 4.34Å; L315-L543 HydrophobicContact CD2-CD1 3.96Å; L315-L543 HydrophobicContact CG-CD1 4.29Å; E318-L543 HydrophobicContact CB-CD2 4.17Å; E318-L543 HydrophobicContact CG-CD2 3.94Å; A319-L543 HydrophobicContact CB-CD2 3.83Å; A319-L543 HydrophobicContact CB-CG 4.13Å; A539-L543 PolarHBondContact O-N 3Å; A539-L543 VanDerWaalsContact O-N 3.12Å; R540-L543 PolarHBondContact O-N 3.31Å; K541-L543 PolarHBondContact O-N 3.46Å; L543-I546 PolarHBondContact O-N 3.01Å; L543-E547 PolarHBondContact O-N 2.92Å
544R98.8Very high98.4Very high101 Ų10119.9 Ų19.938%0.3818%0.083SC..Hα-helixtrans-63.8-43.3176.3-179.759.260.5-173.8-5.3112L513 R540 K541 A542 I546 E547 H548L513-R544 HydrophobicContact CD1-CB 4.26Å; L513-R544 HydrophobicContact CD1-CG 3.57Å; R540-R544 PolarHBondContact O-N 3.42Å; R540-R544 VanDerWaalsContact O-N 3.1Å; K541-R544 PolarHBondContact O-N 3.29Å; A542-R544 VanDerWaalsContact C-N 3.35Å; A542-R544 PolarHBondContact O-N 3.07Å; R544-I546 VanDerWaalsContact C-N 3.32Å; R544-I546 PolarHBondContact O-N 3.48Å; R544-E547 IonicContact CZ-OE1 2.79Å; R544-E547 IonicContact CZ-OE2 3.81Å; R544-E547 VanDerWaalsContact CZ-OE2 3.24Å; R544-E547 IonicContact NE-OE2 3.58Å; R544-E547 IonicContact NH1-OE1 3.99Å; R544-E547 PolarHBondContact NH1-OE1 3.42Å; R544-E547 IonicContact NH1-OE2 3.69Å; R544-E547 PolarHBondContact NH1-OE2 3.42Å; R544-E547 IonicContact NH2-OE2 3.41Å; R544-E547 WeakPolarHBondContact O-CB 3.44Å; R544-E547 PolarHBondContact O-N 3.3Å; R544-H548 WeakPolarHBondContact CD-NE2 3.45Å; R544-H548 PolarHBondContact O-N 2.92Å
545V98.9Very high98.5Very high0 Ų018.7 Ų18.70%08%0.077CC..Hα-helixtrans-61.7-41.9176173.90000111A457 I460 H461 N510 L513 K541 A542 H548 V549A457-V545 HydrophobicContact CB-CG2 4.43Å; I460-V545 HydrophobicContact CG2-CG1 3.77Å; H461-V545 HydrophobicContact CB-CG1 4.01Å; N510-V545 HydrophobicContact CB-CG1 4.45Å; N510-V545 HydrophobicContact CB-CG2 4.46Å; N510-V545 WeakPolarHBondContact OD1-CA 3.44Å; L513-V545 HydrophobicContact CB-CG2 3.65Å; L513-V545 HydrophobicContact CD1-CG2 4.11Å; K541-V545 WeakPolarHBondContact O-CG2 3.25Å; K541-V545 PolarHBondContact O-N 3.04Å; A542-V545 PolarHBondContact O-N 2.91Å; V545-H548 PolarHBondContact O-N 3.1Å; V545-V549 HydrophobicContact CG1-CG2 4.4Å; V545-V549 WeakPolarHBondContact O-CG2 3.37Å; V545-V549 PolarHBondContact O-N 3.23Å
546I98.9Very high98.6Very high0 Ų018.7 Ų18.70%08%0.077CC..Hα-helixtrans-62.4-43.8176.9-67.2160.8000111.2A319 R322 A323 L456 I460 A542 L543 R544 H548 V549 E550A319-I546 HydrophobicContact CB-CD1 3.66Å; A319-I546 VanDerWaalsContact O-CD1 3.26Å; A319-I546 WeakPolarHBondContact O-CD1 3.48Å; R322-I546 HydrophobicContact CB-CG2 3.79Å; A323-I546 HydrophobicContact CB-CD1 4.08Å; A323-I546 HydrophobicContact CB-CG1 4.39Å; L456-I546 HydrophobicContact CD2-CD1 4.36Å; I460-I546 HydrophobicContact CG1-CG1 4.15Å; I460-I546 HydrophobicContact CG2-CG1 3.89Å; A542-I546 WeakPolarHBondContact O-CD1 3.33Å; A542-I546 VanDerWaalsContact O-CG1 3.27Å; A542-I546 WeakPolarHBondContact O-CG1 3.49Å; A542-I546 PolarHBondContact O-N 3.05Å; L543-I546 PolarHBondContact O-N 3.01Å; R544-I546 VanDerWaalsContact C-N 3.32Å; R544-I546 PolarHBondContact O-N 3.48Å; I546-H548 VanDerWaalsContact C-N 3.33Å; I546-H548 PolarHBondContact O-N 2.95Å; I546-V549 WeakPolarHBondContact O-CB 3.22Å; I546-V549 PolarHBondContact O-N 3.46Å; I546-V549 VanDerWaalsContact O-N 3.13Å; I546-E550 HydrophobicContact CG2-CG 4.44Å; I546-E550 WeakPolarHBondContact O-CG 3.49Å; I546-E550 PolarHBondContact O-N 3.02Å
547E98.8Very high98.7Very high53 Ų5318.5 Ų18.525%0.2488%0.075CC..Hα-helixtrans-58-44.6175.6-175.7-175.1159.700111.8L543 R544 V549 E550 Q551L543-E547 PolarHBondContact O-N 2.92Å; R544-E547 IonicContact CZ-OE1 2.79Å; R544-E547 IonicContact CZ-OE2 3.81Å; R544-E547 VanDerWaalsContact CZ-OE2 3.24Å; R544-E547 IonicContact NE-OE2 3.58Å; R544-E547 IonicContact NH1-OE1 3.99Å; R544-E547 PolarHBondContact NH1-OE1 3.42Å; R544-E547 IonicContact NH1-OE2 3.69Å; R544-E547 PolarHBondContact NH1-OE2 3.42Å; R544-E547 IonicContact NH2-OE2 3.41Å; R544-E547 WeakPolarHBondContact O-CB 3.44Å; R544-E547 PolarHBondContact O-N 3.3Å; E547-V549 VanDerWaalsContact C-N 3.35Å; E547-V549 PolarHBondContact O-N 3.29Å; E547-E550 PolarHBondContact O-N 2.68Å; E547-Q551 WeakPolarHBondContact O-CG 3.32Å; E547-Q551 PolarHBondContact O-N 3.26Å
548H98.9Very high98.8Very high6 Ų613.2 Ų13.23%0.0286%0.056CC..Hα-helixtrans-63.6-38.9174.9-67.3172.9000112.3L506 E509 N510 R544 V545 I546 Q551 V552L506-H548 HydrophobicContact CB-CB 4.17Å; E509-H548 IonicContact OE1-CE1 3.26Å; E509-H548 IonicContact OE2-CE1 3.14Å; N510-H548 WeakPolarHBondContact ND2-CB 3.42Å; N510-H548 WeakPolarHBondContact OD1-CB 3.46Å; N510-H548 PolarHBondContact OD1-ND1 3.4Å; R544-H548 WeakPolarHBondContact CD-NE2 3.45Å; R544-H548 PolarHBondContact O-N 2.92Å; V545-H548 PolarHBondContact O-N 3.1Å; I546-H548 VanDerWaalsContact C-N 3.33Å; I546-H548 PolarHBondContact O-N 2.95Å; H548-Q551 PolarHBondContact O-N 3.25Å; H548-V552 WeakPolarHBondContact O-CB 3.46Å; H548-V552 VanDerWaalsContact O-CG2 3.25Å; H548-V552 WeakPolarHBondContact O-CG2 3.49Å; H548-V552 PolarHBondContact O-N 3.25Å
549V98.9Very high98.8Very high0 Ų013.2 Ų13.20%06%0.056CC..Hα-helixtrans-61.3-45175.3171.40000111.2I326 I460 L463 A464 V545 I546 E547 Q551 V552 L553I326-V549 HydrophobicContact CG1-CG1 4.16Å; I326-V549 HydrophobicContact CG2-CG1 4.3Å; I460-V549 HydrophobicContact CG1-CG2 4.36Å; I460-V549 WeakPolarHBondContact O-CG2 3.43Å; L463-V549 HydrophobicContact CB-CG1 3.87Å; L463-V549 HydrophobicContact CD1-CG1 4.35Å; A464-V549 HydrophobicContact CB-CB 4.27Å; A464-V549 HydrophobicContact CB-CG2 3.7Å; V545-V549 HydrophobicContact CG1-CG2 4.4Å; V545-V549 WeakPolarHBondContact O-CG2 3.37Å; V545-V549 PolarHBondContact O-N 3.23Å; I546-V549 WeakPolarHBondContact O-CB 3.22Å; I546-V549 PolarHBondContact O-N 3.46Å; I546-V549 VanDerWaalsContact O-N 3.13Å; E547-V549 VanDerWaalsContact C-N 3.35Å; E547-V549 PolarHBondContact O-N 3.29Å; V549-Q551 VanDerWaalsContact C-N 3.35Å; V549-Q551 PolarHBondContact O-N 2.92Å; V549-V552 PolarHBondContact O-N 2.78Å; V549-L553 HydrophobicContact CG1-CD1 3.81Å; V549-L553 WeakPolarHBondContact O-CB 3.45Å; V549-L553 WeakPolarHBondContact O-CG 3.46Å; V549-L553 PolarHBondContact O-N 3.11Å
550E98.9Very high98.8Very high5 Ų513.2 Ų13.22%0.0236%0.056CC..Hα-helixtrans-60.9-42.8177.1-65.5161.5174.600111.8R322 I326 I546 E547 A554 H604 L608R322-E550 IonicContact CZ-OE1 3.6Å; R322-E550 IonicContact CZ-OE2 3.78Å; R322-E550 IonicContact NE-OE1 2.69Å; R322-E550 PolarHBondContact NE-OE1 3.27Å; R322-E550 IonicContact NE-OE2 2.83Å; R322-E550 VanDerWaalsContact NH2-CD 3.27Å; R322-E550 IonicContact NH2-OE1 2.87Å; R322-E550 PolarHBondContact NH2-OE1 3.07Å; R322-E550 VanDerWaalsContact NH2-OE1 3.11Å; R322-E550 IonicContact NH2-OE2 3.94Å; R322-E550 PolarHBondContact NH2-OE2 3.36Å; I326-E550 HydrophobicContact CB-CG 4.15Å; I326-E550 HydrophobicContact CD1-CB 4.31Å; I326-E550 HydrophobicContact CD1-CG 3.97Å; I326-E550 HydrophobicContact CG1-CB 4.46Å; I326-E550 HydrophobicContact CG1-CG 3.81Å; I546-E550 HydrophobicContact CG2-CG 4.44Å; I546-E550 WeakPolarHBondContact O-CG 3.49Å; I546-E550 PolarHBondContact O-N 3.02Å; E547-E550 PolarHBondContact O-N 2.68Å; E550-A554 WeakPolarHBondContact O-CB 3.47Å; E550-A554 PolarHBondContact O-N 3.41Å; E550-H604 WeakPolarHBondContact CB-NE2 3.36Å; E550-H604 IonicContact OE2-NE2 2.93Å; E550-H604 PolarHBondContact OE2-NE2 3.36Å; E550-L608 VanDerWaalsContact OE2-CD2 3.24Å; E550-L608 WeakPolarHBondContact OE2-CD2 3.28Å
551Q98.9Very high98.8Very high47 Ų4710.9 Ų10.922%0.225%0.047CC..Hα-helixtrans-68.2-41.8178.7-71.7169.7-2100112.7L506 E547 H548 V549 A554 I555L506-Q551 HydrophobicContact CD1-CB 3.8Å; E547-Q551 WeakPolarHBondContact O-CG 3.32Å; E547-Q551 PolarHBondContact O-N 3.26Å; H548-Q551 PolarHBondContact O-N 3.25Å; V549-Q551 VanDerWaalsContact C-N 3.35Å; V549-Q551 PolarHBondContact O-N 2.92Å; Q551-A554 WeakPolarHBondContact O-CB 3.23Å; Q551-A554 PolarHBondContact O-N 3.37Å; Q551-I555 WeakPolarHBondContact O-CG1 3.35Å; Q551-I555 PolarHBondContact O-N 3.03Å; Q551-I555 VanDerWaalsContact O-N 3.13Å
552V98.9Very high98.9Very high0 Ų011 Ų110%05%0.047CC..Hα-helixtrans-63-44.7176170.90000110.5A464 E468 I471 A503 L506 V507 H548 V549 A554 I555 E556A464-V552 HydrophobicContact CB-CB 4.22Å; A464-V552 HydrophobicContact CB-CG1 4.27Å; A464-V552 HydrophobicContact CB-CG2 4.29Å; E468-V552 HydrophobicContact CB-CG1 4.17Å; I471-V552 HydrophobicContact CD1-CG1 4.19Å; A503-V552 HydrophobicContact CB-CG1 4.31Å; A503-V552 HydrophobicContact CB-CG2 4.2Å; L506-V552 HydrophobicContact CB-CG2 4.02Å; L506-V552 HydrophobicContact CD1-CG2 4.18Å; V507-V552 HydrophobicContact CG2-CG1 4.47Å; V507-V552 HydrophobicContact CG2-CG2 4.06Å; H548-V552 WeakPolarHBondContact O-CB 3.46Å; H548-V552 VanDerWaalsContact O-CG2 3.25Å; H548-V552 WeakPolarHBondContact O-CG2 3.49Å; H548-V552 PolarHBondContact O-N 3.25Å; V549-V552 PolarHBondContact O-N 2.78Å; V552-A554 VanDerWaalsContact C-N 3.3Å; V552-A554 PolarHBondContact O-N 3.45Å; V552-I555 PolarHBondContact O-N 2.73Å; V552-E556 PolarHBondContact O-N 2.99Å
553L98.9Very high98.9Very high1 Ų111 Ų111%0.0055%0.047CC..Hα-helixtrans-65.9-31.4176.3-74.7166.2000112.8I326 A330 V333 V549 I555 E556 L557 L607I326-L553 HydrophobicContact CD1-CB 4.41Å; I326-L553 HydrophobicContact CD1-CD1 3.65Å; I326-L553 HydrophobicContact CG1-CD1 3.47Å; I326-L553 VanDerWaalsContact CG1-CD1 3.47Å; A330-L553 HydrophobicContact CB-CD1 3.74Å; A330-L553 HydrophobicContact CB-CD2 3.93Å; V333-L553 HydrophobicContact CB-CD2 4.29Å; V333-L553 HydrophobicContact CG1-CD2 4.17Å; V549-L553 HydrophobicContact CG1-CD1 3.81Å; V549-L553 WeakPolarHBondContact O-CB 3.45Å; V549-L553 WeakPolarHBondContact O-CG 3.46Å; V549-L553 PolarHBondContact O-N 3.11Å; L553-I555 VanDerWaalsContact C-N 3.34Å; L553-E556 PolarHBondContact O-N 2.97Å; L553-L557 VanDerWaalsContact O-CB 3.3Å; L553-L557 WeakPolarHBondContact O-CB 3.39Å; L553-L557 PolarHBondContact O-N 2.82Å; L553-L607 HydrophobicContact CB-CD1 4.04Å
554A98.9Very high98.9Very high0 Ų010.7 Ų10.70%05%0.046CC..Hα-helixtrans-63.1-41.7172.500000111.7E550 Q551 V552 L557 L558 A603 H604 L607E550-A554 WeakPolarHBondContact O-CB 3.47Å; E550-A554 PolarHBondContact O-N 3.41Å; Q551-A554 WeakPolarHBondContact O-CB 3.23Å; Q551-A554 PolarHBondContact O-N 3.37Å; V552-A554 VanDerWaalsContact C-N 3.3Å; V552-A554 PolarHBondContact O-N 3.45Å; A554-L557 PolarHBondContact O-N 2.88Å; A554-L558 WeakPolarHBondContact O-CG 3.44Å; A554-L558 PolarHBondContact O-N 2.95Å; A554-L558 VanDerWaalsContact O-N 3.07Å; A554-A603 HydrophobicContact CB-CB 4.1Å; A554-H604 HydrophobicContact CB-CB 3.94Å; A554-L607 HydrophobicContact CB-CD1 3.94Å
555I98.9Very high98.8Very high1 Ų17.9 Ų7.91%0.0054%0.037CC..Hα-helixtrans-66.5-42.8176.1-63.3162.9000110.4I471 A499 T502 A503 Q551 V552 L553 L558 A559 I600I471-I555 HydrophobicContact CD1-CB 4.04Å; I471-I555 HydrophobicContact CD1-CG2 3.82Å; I471-I555 HydrophobicContact CG2-CG2 4.43Å; A499-I555 HydrophobicContact CB-CG2 3.9Å; T502-I555 HydrophobicContact CG2-CD1 4.17Å; A503-I555 HydrophobicContact CB-CD1 4.02Å; Q551-I555 WeakPolarHBondContact O-CG1 3.35Å; Q551-I555 PolarHBondContact O-N 3.03Å; Q551-I555 VanDerWaalsContact O-N 3.13Å; V552-I555 PolarHBondContact O-N 2.73Å; L553-I555 VanDerWaalsContact C-N 3.34Å; I555-L558 PolarHBondContact O-N 3.39Å; I555-A559 WeakPolarHBondContact O-CB 3.45Å; I555-A559 PolarHBondContact O-N 3.33Å; I555-I600 HydrophobicContact CD1-CD1 4.38Å; I555-I600 HydrophobicContact CG1-CD1 4.04Å; I555-I600 HydrophobicContact CG1-CG1 4.14Å; I555-I600 HydrophobicContact CG1-CG2 4.06Å
556E98.9Very high98.8Very high0 Ų011.2 Ų11.20%05%0.052CC..Hα-helixtrans-60.5-45.2174.7-170.1-173.5172.700111.7V333 T337 S467 R470 I471 V552 L553 L558 A559 A560V333-E556 HydrophobicContact CG1-CB 3.75Å; V333-E556 HydrophobicContact CG1-CG 3.65Å; T337-E556 WeakPolarHBondContact CB-OE1 3.28Å; T337-E556 PolarHBondContact OG1-OE1 3.5Å; S467-E556 WeakPolarHBondContact CA-OE2 3.44Å; S467-E556 WeakPolarHBondContact CB-OE2 3.37Å; S467-E556 WeakPolarHBondContact OG-CB 3.49Å; S467-E556 PolarHBondContact OG-OE2 3.08Å; R470-E556 WeakPolarHBondContact CB-OE1 3.38Å; R470-E556 WeakPolarHBondContact CD-OE1 3.43Å; R470-E556 IonicContact CZ-OE1 3.58Å; R470-E556 IonicContact CZ-OE2 2.68Å; R470-E556 IonicContact NE-OE1 2.99Å; R470-E556 PolarHBondContact NE-OE1 3.05Å; R470-E556 IonicContact NE-OE2 3.77Å; R470-E556 PolarHBondContact NE-OE2 3.27Å; R470-E556 IonicContact NH2-OE1 3.2Å; R470-E556 IonicContact NH2-OE2 3.28Å; R470-E556 PolarHBondContact NH2-OE2 2.99Å; I471-E556 HydrophobicContact CD1-CB 3.99Å; I471-E556 HydrophobicContact CG1-CB 3.72Å; I471-E556 HydrophobicContact CG1-CG 4.07Å; V552-E556 PolarHBondContact O-N 2.99Å; L553-E556 PolarHBondContact O-N 2.97Å; E556-L558 VanDerWaalsContact C-N 3.32Å; E556-L558 PolarHBondContact O-N 3.31Å; E556-A559 PolarHBondContact O-N 3.13Å; E556-A560 WeakPolarHBondContact O-CB 3.19Å; E556-A560 PolarHBondContact O-N 2.95Å
557L98.9Very high98.7Very high0 Ų012.1 Ų12.10%06%0.056CC..Hα-helixtrans-57.9-44.8178177.559.8000111.8V333 L336 L553 A554 C561 V579 V583 L607 V612V333-L557 HydrophobicContact CG1-CB 4.25Å; V333-L557 HydrophobicContact CG2-CB 4.14Å; V333-L557 HydrophobicContact CG2-CD1 4.28Å; L336-L557 HydrophobicContact CD1-CD1 3.57Å; L553-L557 VanDerWaalsContact O-CB 3.3Å; L553-L557 WeakPolarHBondContact O-CB 3.39Å; L553-L557 PolarHBondContact O-N 2.82Å; A554-L557 PolarHBondContact O-N 2.88Å; L557-C561 WeakPolarHBondContact O-CB 3.23Å; L557-C561 PolarHBondContact O-N 3.36Å; L557-C561 PolarHBondContact O-SG 2.97Å; L557-V579 HydrophobicContact CD1-CG1 4.03Å; L557-V583 HydrophobicContact CD1-CG2 3.88Å; L557-V583 HydrophobicContact CD2-CG2 3.77Å; L557-V583 HydrophobicContact CG-CG2 3.76Å; L557-L607 HydrophobicContact CD2-CD2 4.32Å; L557-L607 HydrophobicContact CD2-CG 4.48Å; L557-V612 HydrophobicContact CD2-CG2 3.87Å
558L98.9Very high98.6Very high6 Ų612.9 Ų12.93%0.0316%0.057CC..Hα-helixtrans-64.3-45.5175.9-73.1173.7000112.2F496 A554 I555 E556 C561 Q562 V583 V587 D599 I600 A603F496-L558 HydrophobicContact CE1-CB 3.82Å; F496-L558 HydrophobicContact CZ-CB 4.14Å; A554-L558 WeakPolarHBondContact O-CG 3.44Å; A554-L558 PolarHBondContact O-N 2.95Å; A554-L558 VanDerWaalsContact O-N 3.07Å; I555-L558 PolarHBondContact O-N 3.39Å; E556-L558 VanDerWaalsContact C-N 3.32Å; E556-L558 PolarHBondContact O-N 3.31Å; L558-C561 PolarHBondContact O-N 2.88Å; L558-Q562 WeakPolarHBondContact O-CB 3.37Å; L558-Q562 PolarHBondContact O-N 2.99Å; L558-V583 HydrophobicContact CD2-CG1 4.02Å; L558-V587 HydrophobicContact CD2-CB 4.08Å; L558-V587 HydrophobicContact CD2-CG1 3.72Å; L558-V587 HydrophobicContact CD2-CG2 4.17Å; L558-D599 HydrophobicContact CD1-CB 4.36Å; L558-I600 HydrophobicContact CD1-CB 4.46Å; L558-I600 HydrophobicContact CD1-CG1 3.99Å; L558-A603 HydrophobicContact CD1-CB 3.94Å; L558-A603 HydrophobicContact CD2-CB 3.94Å; L558-A603 HydrophobicContact CG-CB 3.7Å
559A98.9Very high98.5Very high0 Ų018.1 Ų18.10%09%0.092CC..Hα-helixtrans-63.2-43.6179.600000111.3L474 L486 F496 I555 E556 Q562 G563L474-A559 HydrophobicContact CD1-CB 3.83Å; L486-A559 HydrophobicContact CD1-CB 3.69Å; L486-A559 VanDerWaalsContact CD1-O 3.24Å; L486-A559 WeakPolarHBondContact CD1-O 3.15Å; F496-A559 HydrophobicContact CD1-CB 3.97Å; F496-A559 HydrophobicContact CE1-CB 4.01Å; I555-A559 WeakPolarHBondContact O-CB 3.45Å; I555-A559 PolarHBondContact O-N 3.33Å; E556-A559 PolarHBondContact O-N 3.13Å; A559-Q562 PolarHBondContact O-N 3.41Å; A559-G563 PolarHBondContact O-N 3.41Å
560A98.9Very high98.4Very high0 Ų020.8 Ų20.80%011%0.105CC..Hα-helixtrans-63.8-47.7176.400000111.2L336 V340 L474 E556 Q562 G563 I564L336-A560 HydrophobicContact CB-CB 3.94Å; V340-A560 HydrophobicContact CG2-CB 4.44Å; V340-A560 VanDerWaalsContact CG2-O 3.23Å; V340-A560 WeakPolarHBondContact CG2-O 3.43Å; L474-A560 HydrophobicContact CD1-CB 4.38Å; E556-A560 WeakPolarHBondContact O-CB 3.19Å; E556-A560 PolarHBondContact O-N 2.95Å; A560-Q562 VanDerWaalsContact C-N 3.27Å; A560-Q562 PolarHBondContact O-N 3.11Å; A560-G563 PolarHBondContact O-N 2.86Å; A560-I564 PolarHBondContact O-N 3.28Å; A560-I564 VanDerWaalsContact O-N 3.07Å
561C98.8Very high98.3Very high0 Ų026.2 Ų26.20%013%0.129CC..Hα-helixtrans-60.7-37.7176.2-67.50000112L557 L558 I564 Y580 V583 R584L557-C561 WeakPolarHBondContact O-CB 3.23Å; L557-C561 PolarHBondContact O-N 3.36Å; L557-C561 PolarHBondContact O-SG 2.97Å; L558-C561 PolarHBondContact O-N 2.88Å; C561-I564 PolarHBondContact O-N 3.09Å; C561-Y580 HydrophobicContact CB-CD2 4.02Å; C561-V583 HydrophobicContact CB-CG1 4.31Å; C561-R584 PolarHBondContact O-NH2 2.95Å
562Q98.8Very high98.2Very high4 Ų424.1 Ų24.12%0.01912%0.119CC..Hα-helixtrans-66-39.6173.4179.662.417.200112.1L486 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 4.44Å; L486-Q562 WeakPolarHBondContact O-CG 3.44Å; L486-Q562 PolarHBondContact O-NE2 2.93Å; L486-Q562 VanDerWaalsContact O-NE2 3.13Å; F496-Q562 HydrophobicContact CD2-CG 4.49Å; F496-Q562 HydrophobicContact CE2-CB 3.94Å; F496-Q562 HydrophobicContact CE2-CG 3.81Å; F496-Q562 HydrophobicContact CZ-CB 4.05Å; F496-Q562 HydrophobicContact CZ-CG 4.42Å; L558-Q562 WeakPolarHBondContact O-CB 3.37Å; L558-Q562 PolarHBondContact O-N 2.99Å; A559-Q562 PolarHBondContact O-N 3.41Å; A560-Q562 VanDerWaalsContact C-N 3.27Å; A560-Q562 PolarHBondContact O-N 3.11Å; Q562-I564 VanDerWaalsContact C-N 3.26Å; Q562-I564 PolarHBondContact O-N 3.17Å; Q562-E565 VanDerWaalsContact O-CB 3.22Å; Q562-E565 WeakPolarHBondContact O-CB 3.24Å; Q562-E565 WeakPolarHBondContact O-CG 3.07Å; Q562-E565 PolarHBondContact O-N 3.08Å; Q562-F566 HydrophobicContact CG-CE2 4.12Å; Q562-F566 WeakPolarHBondContact O-CD2 3.32Å; Q562-W590 HydrophobicContact CG-CB 4.29Å; Q562-W590 PolarHBondContact NE2-O 3.4Å
563G98.5Very high98.2Very high0 Ų024.1 Ų24.10%012%0.119CC..Hα-helixtrans-58.8-37.9174.900000112.7A559 A560 E565 F566 L567A559-G563 PolarHBondContact O-N 3.41Å; A560-G563 PolarHBondContact O-N 2.86Å; G563-E565 PolarHBondContact O-N 3.38Å; G563-F566 PolarHBondContact O-N 3.48Å; G563-F566 VanDerWaalsContact O-N 3.16Å; G563-L567 PolarHBondContact O-N 3.43Å
564I98.4Very high98.1Very high0 Ų026.8 Ų26.80%014%0.136CC..Hα-helixtrans-58-35.1173.7-65.5180000111.7L336 V340 A560 C561 Q562 F566 L567 R568 T572 Y580L336-I564 HydrophobicContact CD2-CD1 3.93Å; V340-I564 HydrophobicContact CG2-CD1 4.36Å; V340-I564 HydrophobicContact CG2-CG1 3.52Å; A560-I564 PolarHBondContact O-N 3.28Å; A560-I564 VanDerWaalsContact O-N 3.07Å; C561-I564 PolarHBondContact O-N 3.09Å; Q562-I564 VanDerWaalsContact C-N 3.26Å; Q562-I564 PolarHBondContact O-N 3.17Å; I564-F566 PolarHBondContact O-N 2.75Å; I564-L567 CarbonylContact O-C 3.54Å; I564-L567 WeakPolarHBondContact O-CA 3.45Å; I564-L567 PolarHBondContact O-N 3.47Å; I564-R568 WeakPolarHBondContact O-CG 3.42Å; I564-R568 PolarHBondContact O-N 3.38Å; I564-R568 VanDerWaalsContact O-N 3.09Å; I564-T572 HydrophobicContact CD1-CG2 4.27Å; I564-Y580 HydrophobicContact CB-CD2 4.16Å; I564-Y580 HydrophobicContact CB-CE2 4.12Å; I564-Y580 HydrophobicContact CD1-CD2 4Å; I564-Y580 HydrophobicContact CD1-CG 4.48Å; I564-Y580 HydrophobicContact CG2-CD2 4.08Å; I564-Y580 HydrophobicContact CG2-CE2 3.93Å
565E98.1Very high98Very high43 Ų4326.8 Ų26.820%0.20114%0.136CC..Hα-helixtrans-57.7-39.1178.1-57.3-65.116400112.2Q562 G563 L567 R568 Y580 R584 P589Q562-E565 VanDerWaalsContact O-CB 3.22Å; Q562-E565 WeakPolarHBondContact O-CB 3.24Å; Q562-E565 WeakPolarHBondContact O-CG 3.07Å; Q562-E565 PolarHBondContact O-N 3.08Å; G563-E565 PolarHBondContact O-N 3.38Å; E565-L567 PolarHBondContact O-N 3.48Å; E565-R568 PolarHBondContact O-N 3.09Å; E565-Y580 PolarHBondContact OE1-OH 3.14Å; E565-Y580 PolarHBondContact OE2-OH 3.12Å; E565-R584 IonicContact OE1-CZ 3.52Å; E565-R584 IonicContact OE1-NE 2.72Å; E565-R584 PolarHBondContact OE1-NE 3.49Å; E565-R584 IonicContact OE1-NH2 2.76Å; E565-R584 PolarHBondContact OE1-NH2 3.28Å; E565-P589 HydrophobicContact CG-CB 4.09Å; E565-P589 WeakPolarHBondContact OE1-CG 3.44Å
566F97.7Very high98Very high69 Ų6926.8 Ų26.830%0.30314%0.136SC..Hα-helixtrans-76.6-13178.8-65.5-70.8000113.3L482 P483 L486 Q562 G563 I564L482-F566 HydrophobicContact CD2-CB 3.92Å; P483-F566 HydrophobicContact CB-CE1 4.44Å; P483-F566 HydrophobicContact CG-CD1 3.75Å; P483-F566 HydrophobicContact CG-CE1 3.73Å; P483-F566 HydrophobicContact CG-CG 4.25Å; P483-F566 HydrophobicContact CG-CZ 4.2Å; L486-F566 HydrophobicContact CB-CE2 4.14Å; L486-F566 VanDerWaalsContact O-CE2 3.25Å; L486-F566 WeakPolarHBondContact O-CE2 3.49Å; L486-F566 WeakPolarHBondContact O-CZ 3.19Å; Q562-F566 HydrophobicContact CG-CE2 4.12Å; Q562-F566 WeakPolarHBondContact O-CD2 3.32Å; G563-F566 PolarHBondContact O-N 3.48Å; G563-F566 VanDerWaalsContact O-N 3.16Å; I564-F566 PolarHBondContact O-N 2.75Å
567L97.1Very high98Very high19 Ų1927.9 Ų27.910%0.09914%0.141CC..Hα-helixtrans-96.9-10.6175.1-59.9178.1000112.5I381 L482 G563 I564 E565 L570I381-L567 HydrophobicContact CD1-CB 4.28Å; I381-L567 HydrophobicContact CD1-CD1 3.92Å; I381-L567 HydrophobicContact CG1-CB 4.49Å; I381-L567 HydrophobicContact CG1-CD1 4.34Å; I381-L567 HydrophobicContact CG2-CD1 4.04Å; L482-L567 HydrophobicContact CD2-CD2 4.17Å; L482-L567 HydrophobicContact CD2-CG 4.47Å; G563-L567 PolarHBondContact O-N 3.43Å; I564-L567 CarbonylContact O-C 3.54Å; I564-L567 WeakPolarHBondContact O-CA 3.45Å; I564-L567 PolarHBondContact O-N 3.47Å; E565-L567 PolarHBondContact O-N 3.48Å; L567-L570 VanDerWaalsContact O-CB 3.23Å; L567-L570 WeakPolarHBondContact O-CB 3.42Å; L567-L570 WeakPolarHBondContact O-CG 3.34Å; L567-L570 PolarHBondContact O-N 2.86Å
568R96.8Very high98Very high70 Ų7032.3 Ų32.326%0.26416%0.16SC..THydrogen-bonded Turntrans-57.9141175.6-66.3-50.3-171.6-168.12110.5I564 E565 L570 E577I564-R568 WeakPolarHBondContact O-CG 3.42Å; I564-R568 PolarHBondContact O-N 3.38Å; I564-R568 VanDerWaalsContact O-N 3.09Å; E565-R568 PolarHBondContact O-N 3.09Å; R568-L570 WeakPolarHBondContact CD-O 3.45Å; R568-L570 PolarHBondContact NH1-O 3.28Å; R568-E577 IonicContact CZ-OE1 3.47Å; R568-E577 IonicContact CZ-OE2 2.65Å; R568-E577 IonicContact NH1-OE1 2.79Å; R568-E577 PolarHBondContact NH1-OE1 3.16Å; R568-E577 IonicContact NH1-OE2 3.21Å; R568-E577 IonicContact NH2-OE1 3.68Å; R568-E577 PolarHBondContact NH2-OE1 3.42Å; R568-E577 IonicContact NH2-OE2 3.24Å; R568-E577 PolarHBondContact NH2-OE2 3.29Å
569P96.4Very high98Very high116 Ų11632 Ų3275%0.75316%0.159SC*.THydrogen-bonded Turncis-85.22.715.734.9-37.4000116.1
570L97.1Very high98Very high55 Ų5533.1 Ų33.129%0.28816%0.163SC..  trans-61.5144.8-179.4-54.8175.8000111.7E380 I381 L567 R568E380-L570 HydrophobicContact CB-CB 4.18Å; E380-L570 HydrophobicContact CB-CD2 3.97Å; E380-L570 WeakPolarHBondContact OE2-CA 3.27Å; I381-L570 HydrophobicContact CG1-CB 3.68Å; I381-L570 HydrophobicContact CG1-CD1 4.48Å; L567-L570 VanDerWaalsContact O-CB 3.23Å; L567-L570 WeakPolarHBondContact O-CB 3.42Å; L567-L570 WeakPolarHBondContact O-CG 3.34Å; L567-L570 PolarHBondContact O-N 2.86Å; R568-L570 WeakPolarHBondContact CD-O 3.45Å; R568-L570 PolarHBondContact NH1-O 3.28Å
571K97.4Very high98Very high120 Ų12036.7 Ų36.752%0.52218%0.182SC..  trans-109.5145.6175.9-62.2-176.5-179-1790113E380 I381 E577E380-K571 PolarHBondContact N-O 3.44Å; E380-K571 WeakPolarHBondContact OE2-CB 3.46Å; E380-K571 PolarHBondContact OE2-N 2.97Å; I381-K571 PolarHBondContact N-O 3.27Å; K571-E577 WeakPolarHBondContact CA-OE1 3.15Å; K571-E577 HydrophobicContact CB-CG 4.46Å; K571-E577 WeakPolarHBondContact CB-OE1 3.49Å
572T97.6Very high98Very high3 Ų338.1 Ų38.12%0.01819%0.189CC..  trans-83.2179.1169.3-170.10000110E339 I564 L576 E577E339-T572 WeakPolarHBondContact CB-OG1 3.47Å; E339-T572 WeakPolarHBondContact CG-OG1 3.5Å; E339-T572 PolarHBondContact OE1-OG1 2.75Å; I564-T572 HydrophobicContact CD1-CG2 4.27Å; T572-L576 HydrophobicContact CG2-CB 3.61Å; T572-E577 HydrophobicContact CG2-CB 4.39Å; T572-E577 HydrophobicContact CG2-CG 3.66Å; T572-E577 WeakPolarHBondContact CG2-OE1 3.42Å; T572-E577 PolarHBondContact N-OE1 3.39Å
573T97.3Very high97.9Very high0 Ų037.9 Ų37.90%019%0.189CC..  trans-53.1151172.166.80000113.3E339 L371 H377 L576 E577E339-T573 WeakPolarHBondContact OE1-CG2 3.47Å; E339-T573 PolarHBondContact OE1-N 3.45Å; L371-T573 WeakPolarHBondContact O-CB 3.48Å; L371-T573 WeakPolarHBondContact O-CG2 3.5Å; L371-T573 PolarHBondContact O-OG1 3.37Å; H377-T573 HydrophobicContact CB-CG2 4.21Å; H377-T573 WeakPolarHBondContact O-CG2 3.45Å; T573-L576 PolarHBondContact O-N 3.38Å; T573-L576 WeakPolarHBondContact OG1-CG 3.14Å; T573-E577 PolarHBondContact O-N 3.3Å
574T97.8Very high97.9Very high57 Ų5739.9 Ų39.935%0.3520%0.196SC..Hα-helixtrans-47-51.6177.4-56.60000115.1L576 E577 K578 Y619T574-L576 VanDerWaalsContact C-N 3.28Å; T574-L576 PolarHBondContact O-N 2.83Å; T574-E577 PolarHBondContact O-N 2.95Å; T574-K578 WeakPolarHBondContact O-CG 3.45Å; T574-K578 PolarHBondContact O-N 3.17Å; T574-Y619 HydrophobicContact CG2-CE1 3.82Å
575P97.8Very high97.8Very high0 Ų044 Ų440%023%0.225CC..Hα-helixtrans-60.1-37.7179.220.7-32.8000112.9L371 H377 K578 V579 Y619L371-P575 HydrophobicContact CD2-CB 3.91Å; L371-P575 HydrophobicContact CD2-CG 4.26Å; H377-P575 VanDerWaalsContact CD2-CD 3.46Å; H377-P575 WeakPolarHBondContact CD2-CD 3.2Å; P575-K578 PolarHBondContact O-N 3.33Å; P575-V579 PolarHBondContact O-N 2.92Å; P575-Y619 HydrophobicContact CB-CD1 4.27Å; P575-Y619 HydrophobicContact CB-CD2 3.86Å; P575-Y619 HydrophobicContact CB-CE2 4.46Å; P575-Y619 HydrophobicContact CB-CG 3.76Å; P575-Y619 HydrophobicContact CG-CG 4.48Å
576L98.5Very high97.7Very high0 Ų045.6 Ų45.60%024%0.238CC..Hα-helixtrans-77.4-33.1-177.9-62.2-176.6000112.2I332 A335 L336 E339 L371 L372 T572 T573 T574 K578 V579 Y580I332-L576 HydrophobicContact CG2-CD2 4.36Å; A335-L576 HydrophobicContact CB-CD1 4.26Å; A335-L576 HydrophobicContact CB-CD2 4.2Å; L336-L576 HydrophobicContact CD2-CB 3.81Å; L336-L576 HydrophobicContact CD2-CD2 4.32Å; L336-L576 HydrophobicContact CD2-CG 4.47Å; L336-L576 HydrophobicContact CG-CD2 4.13Å; E339-L576 HydrophobicContact CG-CD1 3.8Å; L371-L576 HydrophobicContact CB-CD2 4.28Å; L371-L576 HydrophobicContact CD2-CD2 4.32Å; L372-L576 HydrophobicContact CD2-CD1 3.68Å; T572-L576 HydrophobicContact CG2-CB 3.61Å; T573-L576 PolarHBondContact O-N 3.38Å; T573-L576 WeakPolarHBondContact OG1-CG 3.14Å; T574-L576 VanDerWaalsContact C-N 3.28Å; T574-L576 PolarHBondContact O-N 2.83Å; L576-K578 VanDerWaalsContact C-N 3.25Å; L576-K578 PolarHBondContact O-N 3.4Å; L576-V579 PolarHBondContact O-N 3.03Å; L576-Y580 PolarHBondContact O-N 3.23Å
577E98.6Very high97.5Very high24 Ų2442.5 Ų42.511%0.11222%0.224CC..Hα-helixtrans-60.1-36.8168.3-75.3-63.9162.200111.3R568 K571 T572 T573 T574 Y580 D581R568-E577 IonicContact CZ-OE1 3.47Å; R568-E577 IonicContact CZ-OE2 2.65Å; R568-E577 IonicContact NH1-OE1 2.79Å; R568-E577 PolarHBondContact NH1-OE1 3.16Å; R568-E577 IonicContact NH1-OE2 3.21Å; R568-E577 IonicContact NH2-OE1 3.68Å; R568-E577 PolarHBondContact NH2-OE1 3.42Å; R568-E577 IonicContact NH2-OE2 3.24Å; R568-E577 PolarHBondContact NH2-OE2 3.29Å; K571-E577 WeakPolarHBondContact CA-OE1 3.15Å; K571-E577 HydrophobicContact CB-CG 4.46Å; K571-E577 WeakPolarHBondContact CB-OE1 3.49Å; T572-E577 HydrophobicContact CG2-CB 4.39Å; T572-E577 HydrophobicContact CG2-CG 3.66Å; T572-E577 WeakPolarHBondContact CG2-OE1 3.42Å; T572-E577 PolarHBondContact N-OE1 3.39Å; T573-E577 PolarHBondContact O-N 3.3Å; T574-E577 PolarHBondContact O-N 2.95Å; E577-Y580 WeakPolarHBondContact O-CB 3.45Å; E577-Y580 PolarHBondContact O-N 2.94Å; E577-D581 WeakPolarHBondContact O-CB 3.34Å; E577-D581 VanDerWaalsContact O-CG 3.26Å; E577-D581 PolarHBondContact O-N 3.41Å
578K98.6Very high97.5Very high92 Ų9249.3 Ų49.340%0.425%0.249SC..Hα-helixtrans-67.3-36.1176.3-66.4-64.8170.7-157.30113.3T574 P575 L576 D581 L582 V615 Y619T574-K578 WeakPolarHBondContact O-CG 3.45Å; T574-K578 PolarHBondContact O-N 3.17Å; P575-K578 PolarHBondContact O-N 3.33Å; L576-K578 VanDerWaalsContact C-N 3.25Å; L576-K578 PolarHBondContact O-N 3.4Å; K578-D581 IonicContact NZ-OD2 3.17Å; K578-L582 WeakPolarHBondContact O-CB 3.44Å; K578-L582 PolarHBondContact O-N 2.75Å; K578-V615 HydrophobicContact CB-CG1 3.45Å; K578-V615 VanDerWaalsContact CB-CG1 3.45Å; K578-Y619 HydrophobicContact CG-CE2 4.33Å
579V98.8Very high97.5Very high0 Ų047.8 Ų47.80%025%0.248CC..Hα-helixtrans-67.9-42173.31790000110.4I332 L336 L557 P575 L576 L582 V583 V612 V615 A616I332-V579 HydrophobicContact CG2-CG1 4.32Å; I332-V579 HydrophobicContact CG2-CG2 3.79Å; L336-V579 HydrophobicContact CD1-CB 4.26Å; L336-V579 HydrophobicContact CD1-CG1 3.67Å; L557-V579 HydrophobicContact CD1-CG1 4.03Å; P575-V579 PolarHBondContact O-N 2.92Å; L576-V579 PolarHBondContact O-N 3.03Å; V579-L582 WeakPolarHBondContact O-CB 3.23Å; V579-L582 PolarHBondContact O-N 3.23Å; V579-V583 WeakPolarHBondContact O-CG2 3.49Å; V579-V583 PolarHBondContact O-N 3.26Å; V579-V612 HydrophobicContact CG1-CG1 3.81Å; V579-V612 HydrophobicContact CG1-CG2 4.49Å; V579-V612 HydrophobicContact CG2-CG1 4.34Å; V579-V615 HydrophobicContact CG2-CG1 4.18Å; V579-A616 HydrophobicContact CG2-CB 4.39Å
580Y98.8Very high97.5Very high23 Ų2342.8 Ų42.89%0.0921%0.214CC..Hα-helixtrans-58.1-48.2173.3168.2-87.8000111.8C561 I564 E565 L576 E577 L582 V583 R584C561-Y580 HydrophobicContact CB-CD2 4.02Å; I564-Y580 HydrophobicContact CB-CD2 4.16Å; I564-Y580 HydrophobicContact CB-CE2 4.12Å; I564-Y580 HydrophobicContact CD1-CD2 4Å; I564-Y580 HydrophobicContact CD1-CG 4.48Å; I564-Y580 HydrophobicContact CG2-CD2 4.08Å; I564-Y580 HydrophobicContact CG2-CE2 3.93Å; E565-Y580 PolarHBondContact OE1-OH 3.14Å; E565-Y580 PolarHBondContact OE2-OH 3.12Å; L576-Y580 PolarHBondContact O-N 3.23Å; E577-Y580 WeakPolarHBondContact O-CB 3.45Å; E577-Y580 PolarHBondContact O-N 2.94Å; Y580-L582 VanDerWaalsContact C-N 3.31Å; Y580-L582 PolarHBondContact O-N 3.02Å; Y580-V583 PolarHBondContact O-N 3.07Å; Y580-R584 HydrophobicContact CD1-CG 4.2Å; Y580-R584 HydrophobicContact CD2-CG 4.3Å; Y580-R584 HydrophobicContact CE1-CG 3.8Å; Y580-R584 HydrophobicContact CE2-CG 3.94Å; Y580-R584 HydrophobicContact CG-CG 4.43Å; Y580-R584 WeakPolarHBondContact O-CB 3.44Å; Y580-R584 WeakPolarHBondContact O-CG 3.37Å; Y580-R584 PolarHBondContact O-N 3.2Å
581D98.6Very high97.3Very high75 Ų7545.9 Ų45.940%0.40123%0.229SC..Hα-helixtrans-57.6-43.4177-74.1-20.6000111.4E577 K578 R584 S585E577-D581 WeakPolarHBondContact O-CB 3.34Å; E577-D581 VanDerWaalsContact O-CG 3.26Å; E577-D581 PolarHBondContact O-N 3.41Å; K578-D581 IonicContact NZ-OD2 3.17Å; D581-R584 PolarHBondContact O-N 3.24Å; D581-S585 PolarHBondContact O-N 3.29Å
582L98.6Very high97.2Very high30 Ų3047.1 Ų47.116%0.15724%0.235CC..Hα-helixtrans-58.7-49.6176.2174.170.4000111.1K578 V579 Y580 R584 S585 L606 K611 V612 V615K578-L582 WeakPolarHBondContact O-CB 3.44Å; K578-L582 PolarHBondContact O-N 2.75Å; V579-L582 WeakPolarHBondContact O-CB 3.23Å; V579-L582 PolarHBondContact O-N 3.23Å; Y580-L582 VanDerWaalsContact C-N 3.31Å; Y580-L582 PolarHBondContact O-N 3.02Å; L582-R584 VanDerWaalsContact C-N 3.32Å; L582-R584 PolarHBondContact O-N 3.08Å; L582-S585 WeakPolarHBondContact O-CB 3.32Å; L582-S585 PolarHBondContact O-N 3.33Å; L582-S585 PolarHBondContact O-OG 3.08Å; L582-L606 HydrophobicContact CD1-CD2 4.2Å; L582-L606 HydrophobicContact CD2-CD1 4.38Å; L582-L606 HydrophobicContact CG-CD1 4.11Å; L582-L606 HydrophobicContact CG-CD2 4.31Å; L582-K611 HydrophobicContact CD1-CB 4.39Å; L582-K611 HydrophobicContact CD2-CB 3.8Å; L582-V612 HydrophobicContact CD2-CG2 4.13Å; L582-V615 HydrophobicContact CB-CG2 4.47Å; L582-V615 HydrophobicContact CD2-CG2 3.97Å
583V98.1Very high97.2Very high0 Ų049.8 Ų49.80%025%0.249CC..Hα-helixtrans-62.4-42.9178.41750000110.5L557 L558 C561 V579 Y580 S585 V586 V587 L606L557-V583 HydrophobicContact CD1-CG2 3.88Å; L557-V583 HydrophobicContact CD2-CG2 3.77Å; L557-V583 HydrophobicContact CG-CG2 3.76Å; L558-V583 HydrophobicContact CD2-CG1 4.02Å; C561-V583 HydrophobicContact CB-CG1 4.31Å; V579-V583 WeakPolarHBondContact O-CG2 3.49Å; V579-V583 PolarHBondContact O-N 3.26Å; Y580-V583 PolarHBondContact O-N 3.07Å; V583-S585 PolarHBondContact O-N 3.03Å; V583-V586 VanDerWaalsContact O-CG2 3.31Å; V583-V586 WeakPolarHBondContact O-CG2 3.21Å; V583-V586 PolarHBondContact O-N 3.25Å; V583-V586 VanDerWaalsContact O-N 3.11Å; V583-V587 HydrophobicContact CG1-CB 4.5Å; V583-V587 PolarHBondContact O-N 3.01Å; V583-L606 HydrophobicContact CG2-CD1 4.16Å
584R97.9Very high97.1Very high41 Ų4152.3 Ų52.316%0.15526%0.259CS..Hα-helixtrans-67.2-21.6179.6-70.2-69.3173.5-108.72.2114.2C561 E565 Y580 D581 L582 V586 V587C561-R584 PolarHBondContact O-NH2 2.95Å; E565-R584 IonicContact OE1-CZ 3.52Å; E565-R584 IonicContact OE1-NE 2.72Å; E565-R584 PolarHBondContact OE1-NE 3.49Å; E565-R584 IonicContact OE1-NH2 2.76Å; E565-R584 PolarHBondContact OE1-NH2 3.28Å; Y580-R584 HydrophobicContact CD1-CG 4.2Å; Y580-R584 HydrophobicContact CD2-CG 4.3Å; Y580-R584 HydrophobicContact CE1-CG 3.8Å; Y580-R584 HydrophobicContact CE2-CG 3.94Å; Y580-R584 HydrophobicContact CG-CG 4.43Å; Y580-R584 WeakPolarHBondContact O-CB 3.44Å; Y580-R584 WeakPolarHBondContact O-CG 3.37Å; Y580-R584 PolarHBondContact O-N 3.2Å; D581-R584 PolarHBondContact O-N 3.24Å; L582-R584 VanDerWaalsContact C-N 3.32Å; L582-R584 PolarHBondContact O-N 3.08Å; R584-V586 PolarHBondContact O-N 3.46Å; R584-V587 WeakPolarHBondContact CA-O 3.41Å; R584-V587 WeakPolarHBondContact CD-O 3.44Å; R584-V587 PolarHBondContact NH1-O 3.32Å
585S97.1Very high97Very high88 Ų8857 Ų5762%0.61527%0.274SS*.THydrogen-bonded Turntrans-66.2-21.9172.779.60000113.8D581 L582 V583D581-S585 PolarHBondContact O-N 3.29Å; L582-S585 WeakPolarHBondContact O-CB 3.32Å; L582-S585 PolarHBondContact O-N 3.33Å; L582-S585 PolarHBondContact O-OG 3.08Å; V583-S585 PolarHBondContact O-N 3.03Å
586V95.3Very high96.8Very high76 Ų7658.2 Ų58.246%0.46128%0.28SS..THydrogen-bonded Turntrans-120.9-24.8-178.3-65.20000113.8V583 R584 A602 L606V583-V586 VanDerWaalsContact O-CG2 3.31Å; V583-V586 WeakPolarHBondContact O-CG2 3.21Å; V583-V586 PolarHBondContact O-N 3.25Å; V583-V586 VanDerWaalsContact O-N 3.11Å; R584-V586 PolarHBondContact O-N 3.46Å; V586-A602 HydrophobicContact CG2-CB 4.48Å; V586-L606 HydrophobicContact CG2-CD1 3.75Å; V586-L606 HydrophobicContact CG2-CD2 4.4Å; V586-L606 HydrophobicContact CG2-CG 4.21Å
587V93.3Very high96.7Very high4 Ų460.7 Ų60.72%0.02430%0.301CS..SBendtrans-131.6114.1-179.4176.70000110.8L558 V583 R584 D599 A602L558-V587 HydrophobicContact CD2-CB 4.08Å; L558-V587 HydrophobicContact CD2-CG1 3.72Å; L558-V587 HydrophobicContact CD2-CG2 4.17Å; V583-V587 HydrophobicContact CG1-CB 4.5Å; V583-V587 PolarHBondContact O-N 3.01Å; R584-V587 WeakPolarHBondContact CA-O 3.41Å; R584-V587 WeakPolarHBondContact CD-O 3.44Å; R584-V587 PolarHBondContact NH1-O 3.32Å; V587-D599 HydrophobicContact CG1-CB 3.74Å; V587-D599 HydrophobicContact CG2-CB 4.02Å; V587-A602 HydrophobicContact CG2-CB 3.73Å
588R96.5Very high96.5Very high162 Ų16262.6 Ų62.661%0.61132%0.315SS*.  trans-66.5158.2178.166.2-179.4177.4167.3-3.4112.7R594R588-R594 PolarHBondContact O-NH2 2.94Å
589P97Very high96.4Very high38 Ų3859.3 Ų59.325%0.24730%0.302CS..  trans-53.4147.8172.9-25.334.4000113.2E565 I591 R594E565-P589 HydrophobicContact CG-CB 4.09Å; E565-P589 WeakPolarHBondContact OE1-CG 3.44Å; P589-I591 HydrophobicContact CB-CD1 3.96Å; P589-I591 HydrophobicContact CB-CG1 4.32Å; P589-I591 PolarHBondContact O-N 3.38Å; P589-R594 PolarHBondContact O-NH1 3.48Å
590W96Very high96.4Very high10 Ų1060.8 Ų60.84%0.03831%0.31CS..  trans-87.476.6178.1-161.7-84.1000111.1F496 Q562 D593 R594 M596 D599F496-W590 HydrophobicContact CE2-CB 3.96Å; F496-W590 HydrophobicContact CE2-CD2 4.43Å; F496-W590 HydrophobicContact CE2-CG 4.08Å; Q562-W590 HydrophobicContact CG-CB 4.29Å; Q562-W590 PolarHBondContact NE2-O 3.4Å; W590-D593 PolarHBondContact NE1-OD1 3.2Å; W590-D593 VanDerWaalsContact NE1-OD1 3.13Å; W590-R594 HydrophobicContact CD2-CG 4.49Å; W590-R594 HydrophobicContact CE3-CG 3.97Å; W590-R594 HydrophobicContact CH2-CB 4.36Å; W590-R594 HydrophobicContact CH2-CG 3.39Å; W590-R594 WeakPolarHBondContact CH2-O 3.47Å; W590-R594 HydrophobicContact CZ2-CG 3.97Å; W590-R594 WeakPolarHBondContact CZ2-O 3.28Å; W590-R594 HydrophobicContact CZ3-CG 3.39Å; W590-M596 HydrophobicContact CD2-CE 4.06Å; W590-M596 HydrophobicContact CE3-CE 3.95Å; W590-M596 HydrophobicContact CH2-CB 3.56Å; W590-M596 HydrophobicContact CH2-CE 3.37Å; W590-M596 HydrophobicContact CH2-CG 3.92Å; W590-M596 HydrophobicContact CH2-SD 4.48Å; W590-M596 HydrophobicContact CZ2-CE 3.47Å; W590-M596 VanDerWaalsContact CZ2-CE 3.47Å; W590-M596 HydrophobicContact CZ3-CB 3.96Å; W590-M596 HydrophobicContact CZ3-CE 3.63Å; W590-M596 HydrophobicContact CZ3-CG 3.9Å; W590-D599 WeakPolarHBondContact CZ3-OD2 3.19Å
591I94.6Very high96.2Very high120 Ų12063.9 Ų63.962%0.61533%0.325SS*.SBendtrans-76.2-40-178.6-54.8-56.4000112.1P589P589-I591 HydrophobicContact CB-CD1 3.96Å; P589-I591 HydrophobicContact CB-CG1 4.32Å; P589-I591 PolarHBondContact O-N 3.38Å
592K94.6Very high96Very high147 Ų14761.2 Ų61.264%0.63931%0.313SS*.SBendtrans-144.8160.7177.863.9175.1-178.1177.70109.4R594K592-R594 PolarHBondContact O-N 3.38Å
593D97.3Very high96Very high59 Ų5959.8 Ų59.832%0.31631%0.306SS..  trans-58.5138.6-178.6-78.1-3.8000112.6N493 S494 G495 W590N493-D593 WeakPolarHBondContact CA-OD2 3.46Å; N493-D593 PolarHBondContact OD1-N 3.24Å; S494-D593 PolarHBondContact N-OD1 2.89Å; S494-D593 PolarHBondContact N-OD2 3.26Å; G495-D593 PolarHBondContact N-OD1 3.18Å; W590-D593 PolarHBondContact NE1-OD1 3.2Å; W590-D593 VanDerWaalsContact NE1-OD1 3.13Å
594R95.7Very high96Very high53 Ų5360.4 Ų60.420%0.231%0.309CS..  trans-148.2179.4174.464.4176.7180-1055.4109.4R588 P589 W590 K592 M596 D599R588-R594 PolarHBondContact O-NH2 2.94Å; P589-R594 PolarHBondContact O-NH1 3.48Å; W590-R594 HydrophobicContact CD2-CG 4.49Å; W590-R594 HydrophobicContact CE3-CG 3.97Å; W590-R594 HydrophobicContact CH2-CB 4.36Å; W590-R594 HydrophobicContact CH2-CG 3.39Å; W590-R594 WeakPolarHBondContact CH2-O 3.47Å; W590-R594 HydrophobicContact CZ2-CG 3.97Å; W590-R594 WeakPolarHBondContact CZ2-O 3.28Å; W590-R594 HydrophobicContact CZ3-CG 3.39Å; K592-R594 PolarHBondContact O-N 3.38Å; R594-M596 PolarHBondContact O-N 3.2Å; R594-M596 VanDerWaalsContact O-N 3.17Å; R594-D599 IonicContact CZ-OD2 3.26Å; R594-D599 IonicContact NE-OD1 3.93Å; R594-D599 IonicContact NE-OD2 2.84Å; R594-D599 PolarHBondContact NE-OD2 3.28Å; R594-D599 IonicContact NH2-OD1 3.75Å; R594-D599 IonicContact NH2-OD2 2.88Å; R594-D599 PolarHBondContact NH2-OD2 2.74Å
595F94.4Very high95.9Very high154 Ų15464.1 Ų64.168%0.67532%0.323SS*.  trans-67.5113.7173-178.8-149.1000110.6A597 P598F595-A597 HydrophobicContact CD2-CB 4.3Å; F595-A597 HydrophobicContact CE2-CB 3.49Å; F595-A597 VanDerWaalsContact CE2-CB 3.49Å; F595-A597 HydrophobicContact CZ-CB 3.67Å; F595-P598 VanDerWaalsContact CD1-CD 3.46Å; F595-P598 HydrophobicContact CD1-CG 3.43Å; F595-P598 VanDerWaalsContact CD1-CG 3.43Å; F595-P598 HydrophobicContact CE1-CG 3.49Å; F595-P598 VanDerWaalsContact CE1-CG 3.49Å; F595-P598 HydrophobicContact CG-CG 4.15Å; F595-P598 HydrophobicContact CZ-CG 4.26Å; F595-P598 WeakPolarHBondContact O-CD 3.44Å
596M94.8Very high96Very high27 Ų2760.2 Ų60.213%0.13330%0.295CS..  trans-83.1-30.3-171.3-168.8168.9-79.200114.7G495 F496 A499 W590 R594 P598 D599 I600G495-M596 VanDerWaalsContact O-CE 3.28Å; G495-M596 WeakPolarHBondContact O-CE 3.4Å; F496-M596 HydrophobicContact CD1-CE 4.44Å; F496-M596 HydrophobicContact CD2-CE 4.24Å; F496-M596 HydrophobicContact CE2-CE 4.39Å; F496-M596 HydrophobicContact CG-CE 4.26Å; A499-M596 HydrophobicContact CB-CE 4.33Å; A499-M596 HydrophobicContact CB-SD 3.24Å; A499-M596 WeakPolarHBondContact CB-SD 3.37Å; W590-M596 HydrophobicContact CD2-CE 4.06Å; W590-M596 HydrophobicContact CE3-CE 3.95Å; W590-M596 HydrophobicContact CH2-CB 3.56Å; W590-M596 HydrophobicContact CH2-CE 3.37Å; W590-M596 HydrophobicContact CH2-CG 3.92Å; W590-M596 HydrophobicContact CH2-SD 4.48Å; W590-M596 HydrophobicContact CZ2-CE 3.47Å; W590-M596 VanDerWaalsContact CZ2-CE 3.47Å; W590-M596 HydrophobicContact CZ3-CB 3.96Å; W590-M596 HydrophobicContact CZ3-CE 3.63Å; W590-M596 HydrophobicContact CZ3-CG 3.9Å; R594-M596 PolarHBondContact O-N 3.2Å; R594-M596 VanDerWaalsContact O-N 3.17Å; M596-P598 VanDerWaalsContact C-CD 3.45Å; M596-P598 VanDerWaalsContact C-N 3.34Å; M596-D599 WeakPolarHBondContact O-CB 3.22Å; M596-D599 PolarHBondContact O-N 3.28Å; M596-I600 HydrophobicContact CG-CD1 3.89Å; M596-I600 HydrophobicContact CG-CG1 4.04Å; M596-I600 PolarHBondContact O-N 3.17Å; M596-I600 VanDerWaalsContact O-N 3.13Å; M596-I600 HydrophobicContact SD-CD1 4.23Å
597A95.4Very high96.1Very high52 Ų5256.7 Ų56.743%0.4327%0.274SS..Hα-helixtrans-56.4-39.3-173.100000114F595 D599 I600 E601F595-A597 HydrophobicContact CD2-CB 4.3Å; F595-A597 HydrophobicContact CE2-CB 3.49Å; F595-A597 VanDerWaalsContact CE2-CB 3.49Å; F595-A597 HydrophobicContact CZ-CB 3.67Å; A597-D599 VanDerWaalsContact C-N 3.28Å; A597-D599 PolarHBondContact O-N 3.07Å; A597-I600 PolarHBondContact O-N 3.4Å; A597-E601 WeakPolarHBondContact O-CB 3.22Å; A597-E601 PolarHBondContact O-N 3.27Å
598P95.8Very high96.2Very high64 Ų6460.4 Ų60.442%0.41629%0.293SS..Hα-helixtrans-62.4-32.3174.8-2435.8000113.9F595 M596 A602F595-P598 VanDerWaalsContact CD1-CD 3.46Å; F595-P598 HydrophobicContact CD1-CG 3.43Å; F595-P598 VanDerWaalsContact CD1-CG 3.43Å; F595-P598 HydrophobicContact CE1-CG 3.49Å; F595-P598 VanDerWaalsContact CE1-CG 3.49Å; F595-P598 HydrophobicContact CG-CG 4.15Å; F595-P598 HydrophobicContact CZ-CG 4.26Å; F595-P598 WeakPolarHBondContact O-CD 3.44Å; M596-P598 VanDerWaalsContact C-CD 3.45Å; M596-P598 VanDerWaalsContact C-N 3.34Å; P598-A602 WeakPolarHBondContact O-CB 3.32Å; P598-A602 PolarHBondContact O-N 3.15Å
599D96.7Very high96.2Very high23 Ų2356.6 Ų56.612%0.12328%0.282CS..Hα-helixtrans-72.8-42178.4-68.3-17.4000110.8L558 V587 W590 R594 M596 A597 A602 A603L558-D599 HydrophobicContact CD1-CB 4.36Å; V587-D599 HydrophobicContact CG1-CB 3.74Å; V587-D599 HydrophobicContact CG2-CB 4.02Å; W590-D599 WeakPolarHBondContact CZ3-OD2 3.19Å; R594-D599 IonicContact CZ-OD2 3.26Å; R594-D599 IonicContact NE-OD1 3.93Å; R594-D599 IonicContact NE-OD2 2.84Å; R594-D599 PolarHBondContact NE-OD2 3.28Å; R594-D599 IonicContact NH2-OD1 3.75Å; R594-D599 IonicContact NH2-OD2 2.88Å; R594-D599 PolarHBondContact NH2-OD2 2.74Å; M596-D599 WeakPolarHBondContact O-CB 3.22Å; M596-D599 PolarHBondContact O-N 3.28Å; A597-D599 VanDerWaalsContact C-N 3.28Å; A597-D599 PolarHBondContact O-N 3.07Å; D599-A602 PolarHBondContact O-N 2.69Å; D599-A603 PolarHBondContact O-N 2.76Å
600I97.4Very high96.3Very high30 Ų3057.6 Ų57.615%0.15428%0.283CS..Hα-helixtrans-60.4-47.4174.1-64.3171.2000110.1I555 L558 M596 A597 A602 A603 H604I555-I600 HydrophobicContact CD1-CD1 4.38Å; I555-I600 HydrophobicContact CG1-CD1 4.04Å; I555-I600 HydrophobicContact CG1-CG1 4.14Å; I555-I600 HydrophobicContact CG1-CG2 4.06Å; L558-I600 HydrophobicContact CD1-CB 4.46Å; L558-I600 HydrophobicContact CD1-CG1 3.99Å; M596-I600 HydrophobicContact CG-CD1 3.89Å; M596-I600 HydrophobicContact CG-CG1 4.04Å; M596-I600 PolarHBondContact O-N 3.17Å; M596-I600 VanDerWaalsContact O-N 3.13Å; M596-I600 HydrophobicContact SD-CD1 4.23Å; A597-I600 PolarHBondContact O-N 3.4Å; I600-A602 VanDerWaalsContact C-N 3.34Å; I600-A602 PolarHBondContact O-N 3.22Å; I600-A603 PolarHBondContact O-N 3.47Å; I600-H604 WeakPolarHBondContact O-CB 3.42Å; I600-H604 PolarHBondContact O-N 3.15Å
601E95.9Very high96.4Very high88 Ų8860.9 Ų60.941%0.41130%0.298SS..Hα-helixtrans-60.2-42.1177173.457.4-149.700111.9A597 H604 R605A597-E601 WeakPolarHBondContact O-CB 3.22Å; A597-E601 PolarHBondContact O-N 3.27Å; E601-H604 PolarHBondContact O-N 3.44Å; E601-R605 WeakPolarHBondContact O-CB 3.35Å; E601-R605 PolarHBondContact O-N 2.95Å; E601-R605 IonicContact OE1-CZ 3.64Å; E601-R605 IonicContact OE1-NE 2.76Å; E601-R605 IonicContact OE1-NH2 3.82Å; E601-R605 PolarHBondContact OE1-NH2 2.83Å
602A93.8Very high96.6Very high19 Ų1955.1 Ų55.116%0.15727%0.268CS..Hα-helixtrans-63.1-43.6176.500000112.2V586 V587 P598 D599 I600 R605 L606V586-A602 HydrophobicContact CG2-CB 4.48Å; V587-A602 HydrophobicContact CG2-CB 3.73Å; P598-A602 WeakPolarHBondContact O-CB 3.32Å; P598-A602 PolarHBondContact O-N 3.15Å; D599-A602 PolarHBondContact O-N 2.69Å; I600-A602 VanDerWaalsContact C-N 3.34Å; I600-A602 PolarHBondContact O-N 3.22Å; A602-R605 PolarHBondContact O-N 2.69Å; A602-L606 PolarHBondContact O-N 3.45Å
603A97.7Very high96.7Very high0 Ų049.7 Ų49.70%024%0.244CC..Hα-helixtrans-67.9-39.817600000112.5A554 L558 D599 I600 R605 L606 L607A554-A603 HydrophobicContact CB-CB 4.1Å; L558-A603 HydrophobicContact CD1-CB 3.94Å; L558-A603 HydrophobicContact CD2-CB 3.94Å; L558-A603 HydrophobicContact CG-CB 3.7Å; D599-A603 PolarHBondContact O-N 2.76Å; I600-A603 PolarHBondContact O-N 3.47Å; A603-R605 VanDerWaalsContact C-N 3.31Å; A603-R605 PolarHBondContact O-N 3.45Å; A603-L606 WeakPolarHBondContact O-CB 3.48Å; A603-L606 PolarHBondContact O-N 2.76Å; A603-L607 PolarHBondContact O-N 2.84Å
604H98.4Very high96.8Very high14 Ų1452.7 Ų52.77%0.06526%0.256CS..Hα-helixtrans-60.4-42.5175-177.6-157.8000110.8E550 A554 I600 E601 L606 L607 L608E550-H604 WeakPolarHBondContact CB-NE2 3.36Å; E550-H604 IonicContact OE2-NE2 2.93Å; E550-H604 PolarHBondContact OE2-NE2 3.36Å; A554-H604 HydrophobicContact CB-CB 3.94Å; I600-H604 WeakPolarHBondContact O-CB 3.42Å; I600-H604 PolarHBondContact O-N 3.15Å; E601-H604 PolarHBondContact O-N 3.44Å; H604-L606 VanDerWaalsContact C-N 3.35Å; H604-L606 PolarHBondContact O-N 3.03Å; H604-L607 WeakPolarHBondContact O-CB 3.31Å; H604-L607 PolarHBondContact O-N 2.82Å; H604-L607 VanDerWaalsContact O-N 3.09Å; H604-L608 WeakPolarHBondContact O-CG 3.43Å; H604-L608 PolarHBondContact O-N 2.87Å
605R97.3Very high96.9Very high118 Ų11852 Ų5245%0.44526%0.258SS..Hα-helixtrans-60.2-40.6174.8-169.8175.6-55.6136.413.4113.1E601 A602 A603 L607 L608 E609E601-R605 WeakPolarHBondContact O-CB 3.35Å; E601-R605 PolarHBondContact O-N 2.95Å; E601-R605 IonicContact OE1-CZ 3.64Å; E601-R605 IonicContact OE1-NE 2.76Å; E601-R605 IonicContact OE1-NH2 3.82Å; E601-R605 PolarHBondContact OE1-NH2 2.83Å; A602-R605 PolarHBondContact O-N 2.69Å; A603-R605 VanDerWaalsContact C-N 3.31Å; A603-R605 PolarHBondContact O-N 3.45Å; R605-L607 PolarHBondContact O-N 3.27Å; R605-L608 PolarHBondContact O-N 2.95Å; R605-E609 WeakPolarHBondContact CD-OE1 3.21Å; R605-E609 HydrophobicContact CG-CG 4.25Å; R605-E609 VanDerWaalsContact CG-OE1 3.32Å; R605-E609 WeakPolarHBondContact CG-OE1 3.39Å; R605-E609 WeakPolarHBondContact O-CB 3.23Å; R605-E609 WeakPolarHBondContact O-CG 3.5Å; R605-E609 PolarHBondContact O-N 3.48Å
606L97.6Very high97.1Very high6 Ų644.7 Ų44.73%0.03123%0.226CC..Hα-helixtrans-58.2-39.6174.4-67.1-179.5000111.9L582 V583 V586 A602 A603 H604 Q610 K611 V612L582-L606 HydrophobicContact CD1-CD2 4.2Å; L582-L606 HydrophobicContact CD2-CD1 4.38Å; L582-L606 HydrophobicContact CG-CD1 4.11Å; L582-L606 HydrophobicContact CG-CD2 4.31Å; V583-L606 HydrophobicContact CG2-CD1 4.16Å; V586-L606 HydrophobicContact CG2-CD1 3.75Å; V586-L606 HydrophobicContact CG2-CD2 4.4Å; V586-L606 HydrophobicContact CG2-CG 4.21Å; A602-L606 PolarHBondContact O-N 3.45Å; A603-L606 WeakPolarHBondContact O-CB 3.48Å; A603-L606 PolarHBondContact O-N 2.76Å; H604-L606 VanDerWaalsContact C-N 3.35Å; H604-L606 PolarHBondContact O-N 3.03Å; L606-Q610 PolarHBondContact O-N 3.17Å; L606-K611 HydrophobicContact CD2-CB 4.21Å; L606-K611 HydrophobicContact CD2-CD 3.61Å; L606-K611 PolarHBondContact O-N 3.04Å; L606-V612 HydrophobicContact CB-CG2 4.39Å
607L98.5Very high97.2Very high3 Ų344.1 Ų44.12%0.01623%0.225CC..Hα-helixtrans-71.6-41.9178.2-65.6174.3000112.1I326 Q329 L553 A554 L557 A603 H604 R605 E609 Q610 V612I326-L607 HydrophobicContact CD1-CB 4.17Å; I326-L607 HydrophobicContact CD1-CD1 4.18Å; I326-L607 HydrophobicContact CD1-CD2 4.43Å; Q329-L607 HydrophobicContact CB-CD2 3.99Å; Q329-L607 HydrophobicContact CG-CD2 4.47Å; Q329-L607 PolarHBondContact NE2-O 3.04Å; L553-L607 HydrophobicContact CB-CD1 4.04Å; A554-L607 HydrophobicContact CB-CD1 3.94Å; L557-L607 HydrophobicContact CD2-CD2 4.32Å; L557-L607 HydrophobicContact CD2-CG 4.48Å; A603-L607 PolarHBondContact O-N 2.84Å; H604-L607 WeakPolarHBondContact O-CB 3.31Å; H604-L607 PolarHBondContact O-N 2.82Å; H604-L607 VanDerWaalsContact O-N 3.09Å; R605-L607 PolarHBondContact O-N 3.27Å; L607-E609 VanDerWaalsContact C-N 3.32Å; L607-E609 PolarHBondContact O-N 2.84Å; L607-Q610 PolarHBondContact O-N 3.46Å; L607-V612 HydrophobicContact CD2-CB 4.19Å; L607-V612 HydrophobicContact CD2-CG2 3.88Å
608L95.6Very high97.3Very high81 Ų8145.5 Ų45.542%0.42423%0.23SC..Hα-helixtrans-62-40.5175.7-72177.7000112.2E550 H604 R605 Q610E550-L608 VanDerWaalsContact OE2-CD2 3.24Å; E550-L608 WeakPolarHBondContact OE2-CD2 3.28Å; H604-L608 WeakPolarHBondContact O-CG 3.43Å; H604-L608 PolarHBondContact O-N 2.87Å; R605-L608 PolarHBondContact O-N 2.95Å; L608-Q610 PolarHBondContact O-N 3.42Å
609E96.1Very high97.3Very high82 Ų8245.2 Ų45.238%0.38322%0.221SC..THydrogen-bonded Turntrans-78.3-0.3176-66.9174.9-178.300112.7R605 L607 K611R605-E609 WeakPolarHBondContact CD-OE1 3.21Å; R605-E609 HydrophobicContact CG-CG 4.25Å; R605-E609 VanDerWaalsContact CG-OE1 3.32Å; R605-E609 WeakPolarHBondContact CG-OE1 3.39Å; R605-E609 WeakPolarHBondContact O-CB 3.23Å; R605-E609 WeakPolarHBondContact O-CG 3.5Å; R605-E609 PolarHBondContact O-N 3.48Å; L607-E609 VanDerWaalsContact C-N 3.32Å; L607-E609 PolarHBondContact O-N 2.84Å; E609-K611 HydrophobicContact CB-CD 4.3Å; E609-K611 HydrophobicContact CB-CG 4.07Å; E609-K611 PolarHBondContact O-N 2.69Å; E609-K611 VanDerWaalsContact O-N 3.12Å; E609-K611 WeakPolarHBondContact OE2-CD 3.44Å; E609-K611 WeakPolarHBondContact OE2-CE 3.39Å; E609-K611 IonicContact OE2-NZ 3.85Å; E609-K611 PolarHBondContact OE2-NZ 3.16Å
610Q98.1Very high97.2Very high59 Ų5944.2 Ų44.228%0.27622%0.215SC..THydrogen-bonded Turntrans58.118.4-178-63.9-179.669.800114.9A325 R328 L606 L607 L608 V612 W613 E614A325-Q610 VanDerWaalsContact CB-CD 3.45Å; A325-Q610 HydrophobicContact CB-CG 3.83Å; R328-Q610 VanDerWaalsContact NH2-OE1 3.08Å; L606-Q610 PolarHBondContact O-N 3.17Å; L607-Q610 PolarHBondContact O-N 3.46Å; L608-Q610 PolarHBondContact O-N 3.42Å; Q610-V612 PolarHBondContact O-N 3.34Å; Q610-W613 HydrophobicContact CB-CB 4.48Å; Q610-W613 WeakPolarHBondContact O-CA 3.42Å; Q610-W613 WeakPolarHBondContact O-CB 3.46Å; Q610-W613 PolarHBondContact O-N 2.84Å; Q610-E614 WeakPolarHBondContact O-CG 3.38Å; Q610-E614 PolarHBondContact O-N 2.97Å
611K98.3Very high97.1Very high79 Ų7946.5 Ų46.534%0.34323%0.226SC..Hα-helixtrans-61.1-33.5-177.6-75.7177.3167162.40112.8L582 L606 E609 W613 E614 V615L582-K611 HydrophobicContact CD1-CB 4.39Å; L582-K611 HydrophobicContact CD2-CB 3.8Å; L606-K611 HydrophobicContact CD2-CB 4.21Å; L606-K611 HydrophobicContact CD2-CD 3.61Å; L606-K611 PolarHBondContact O-N 3.04Å; E609-K611 HydrophobicContact CB-CD 4.3Å; E609-K611 HydrophobicContact CB-CG 4.07Å; E609-K611 PolarHBondContact O-N 2.69Å; E609-K611 VanDerWaalsContact O-N 3.12Å; E609-K611 WeakPolarHBondContact OE2-CD 3.44Å; E609-K611 WeakPolarHBondContact OE2-CE 3.39Å; E609-K611 IonicContact OE2-NZ 3.85Å; E609-K611 PolarHBondContact OE2-NZ 3.16Å; K611-W613 VanDerWaalsContact C-N 3.34Å; K611-E614 PolarHBondContact O-N 3.45Å; K611-V615 WeakPolarHBondContact O-CB 3.47Å; K611-V615 WeakPolarHBondContact O-CG2 3.4Å; K611-V615 PolarHBondContact O-N 3.22Å
612V98.6Very high96.9Very high0 Ų046.4 Ų46.40%022%0.224CC..Hα-helixtrans-64.5-42.3175.6175.90000110.5Q329 I332 L557 V579 L582 L606 L607 Q610 A616Q329-V612 HydrophobicContact CG-CB 4.42Å; I332-V612 HydrophobicContact CB-CG1 4.16Å; I332-V612 HydrophobicContact CD1-CG1 4.14Å; I332-V612 HydrophobicContact CG2-CG1 3.71Å; L557-V612 HydrophobicContact CD2-CG2 3.87Å; V579-V612 HydrophobicContact CG1-CG1 3.81Å; V579-V612 HydrophobicContact CG1-CG2 4.49Å; V579-V612 HydrophobicContact CG2-CG1 4.34Å; L582-V612 HydrophobicContact CD2-CG2 4.13Å; L606-V612 HydrophobicContact CB-CG2 4.39Å; L607-V612 HydrophobicContact CD2-CB 4.19Å; L607-V612 HydrophobicContact CD2-CG2 3.88Å; Q610-V612 PolarHBondContact O-N 3.34Å; V612-A616 PolarHBondContact O-N 2.98Å
613W98.4Very high96.7Very high32 Ų3246.2 Ų46.212%0.12122%0.219CC..Hα-helixtrans-64.6-48.8173.5174.5-102.9000111.7R328 Q329 I332 Q610 K611 V615 A616 A617 I620R328-W613 HydrophobicContact CB-CD2 4.22Å; R328-W613 HydrophobicContact CB-CE3 3.66Å; R328-W613 HydrophobicContact CB-CZ3 3.82Å; R328-W613 HydrophobicContact CG-CE3 4.48Å; R328-W613 HydrophobicContact CG-CZ3 4.31Å; Q329-W613 HydrophobicContact CG-CB 3.75Å; I332-W613 HydrophobicContact CD1-CE3 3.93Å; Q610-W613 HydrophobicContact CB-CB 4.48Å; Q610-W613 WeakPolarHBondContact O-CA 3.42Å; Q610-W613 WeakPolarHBondContact O-CB 3.46Å; Q610-W613 PolarHBondContact O-N 2.84Å; K611-W613 VanDerWaalsContact C-N 3.34Å; W613-V615 PolarHBondContact O-N 2.88Å; W613-A616 PolarHBondContact O-N 3.34Å; W613-A616 VanDerWaalsContact O-N 3.11Å; W613-A617 HydrophobicContact CD2-CB 4.14Å; W613-A617 HydrophobicContact CG-CB 4.5Å; W613-A617 HydrophobicContact CZ2-CB 3.89Å; W613-A617 WeakPolarHBondContact O-CB 3.32Å; W613-A617 PolarHBondContact O-N 2.99Å; W613-I620 HydrophobicContact CE3-CD1 4.48Å; W613-I620 HydrophobicContact CH2-CD1 4.14Å; W613-I620 HydrophobicContact CZ3-CD1 3.71Å
614E98.3Very high96.3Very high122 Ų12250.8 Ų50.857%0.5724%0.236SC*.Hα-helixtrans-57.1-36.7-178.7-70.1176171.800113Q610 K611 P618Q610-E614 WeakPolarHBondContact O-CG 3.38Å; Q610-E614 PolarHBondContact O-N 2.97Å; K611-E614 PolarHBondContact O-N 3.45Å; E614-P618 WeakPolarHBondContact O-CD 3.47Å
615V97.9Very high95.9Very high40 Ų4056.5 Ų56.524%0.24226%0.264CS..Hα-helixtrans-70.7-39.9177.2167.10000112.3K578 V579 L582 K611 W613K578-V615 HydrophobicContact CB-CG1 3.45Å; K578-V615 VanDerWaalsContact CB-CG1 3.45Å; V579-V615 HydrophobicContact CG2-CG1 4.18Å; L582-V615 HydrophobicContact CB-CG2 4.47Å; L582-V615 HydrophobicContact CD2-CG2 3.97Å; K611-V615 WeakPolarHBondContact O-CB 3.47Å; K611-V615 WeakPolarHBondContact O-CG2 3.4Å; K611-V615 PolarHBondContact O-N 3.22Å; W613-V615 PolarHBondContact O-N 2.88Å
616A97.8Very high95.2Very high0 Ų055.9 Ų55.90%027%0.267CS..Hα-helixtrans-87.3-31.5-175.500000113.7I332 L371 V579 V612 W613 P618 Y619 I620I332-A616 HydrophobicContact CD1-CB 3.51Å; I332-A616 HydrophobicContact CG1-CB 4.04Å; I332-A616 HydrophobicContact CG2-CB 4.45Å; L371-A616 HydrophobicContact CD2-CB 4.13Å; V579-A616 HydrophobicContact CG2-CB 4.39Å; V612-A616 PolarHBondContact O-N 2.98Å; W613-A616 PolarHBondContact O-N 3.34Å; W613-A616 VanDerWaalsContact O-N 3.11Å; A616-P618 VanDerWaalsContact C-CD 3.44Å; A616-Y619 WeakPolarHBondContact O-CB 3.21Å; A616-Y619 PolarHBondContact O-N 2.8Å; A616-I620 HydrophobicContact CB-CD1 4.43Å; A616-I620 PolarHBondContact O-N 3.41Å
617A97.6Very high93.9Very high14 Ų1463.5 Ų63.512%0.11630%0.302CS..Hα-helixtrans-54.5-40.7-173.100000114.4W613 Y619 I620 E621W613-A617 HydrophobicContact CD2-CB 4.14Å; W613-A617 HydrophobicContact CG-CB 4.5Å; W613-A617 HydrophobicContact CZ2-CB 3.89Å; W613-A617 WeakPolarHBondContact O-CB 3.32Å; W613-A617 PolarHBondContact O-N 2.99Å; A617-Y619 PolarHBondContact O-N 3.42Å; A617-I620 PolarHBondContact O-N 2.97Å; A617-E621 WeakPolarHBondContact O-CG 3.44Å; A617-E621 PolarHBondContact O-N 3.46Å
618P97.1Very high92.6Very high82 Ų8264.6 Ų64.653%0.53231%0.308SS..Hα-helixtrans-57.7-35.1176.9-26.435.8000113.4E614 A616 K622E614-P618 WeakPolarHBondContact O-CD 3.47Å; A616-P618 VanDerWaalsContact C-CD 3.44Å; P618-K622 WeakPolarHBondContact O-CB 3.36Å; P618-K622 PolarHBondContact O-N 3.4Å
619Y95.9Very high91.6Very high58 Ų5866.2 Ų66.223%0.22732%0.323CS..Hα-helixtrans-74-42.4177.8-60.5-87.4000111.5H377 T574 P575 K578 A616 A617 K622 Y623H377-Y619 AromaticContact NE2-CD1 3.77Å; T574-Y619 HydrophobicContact CG2-CE1 3.82Å; P575-Y619 HydrophobicContact CB-CD1 4.27Å; P575-Y619 HydrophobicContact CB-CD2 3.86Å; P575-Y619 HydrophobicContact CB-CE2 4.46Å; P575-Y619 HydrophobicContact CB-CG 3.76Å; P575-Y619 HydrophobicContact CG-CG 4.48Å; K578-Y619 HydrophobicContact CG-CE2 4.33Å; A616-Y619 WeakPolarHBondContact O-CB 3.21Å; A616-Y619 PolarHBondContact O-N 2.8Å; A617-Y619 PolarHBondContact O-N 3.42Å; Y619-K622 PolarHBondContact O-N 3.45Å; Y619-Y623 WeakPolarHBondContact O-CB 3.18Å; Y619-Y623 PolarHBondContact O-N 3.41Å
620I95.4Very high90.7Very high1 Ų164.5 Ų64.51%0.00532%0.315CS..Hα-helixtrans-61.1-46.8176.8-61.3173.3000110.6F366 R367 L371 W613 A616 A617 Y623 R624F366-I620 HydrophobicContact CE1-CG2 3.84Å; R367-I620 HydrophobicContact CG-CG2 4.31Å; L371-I620 HydrophobicContact CD2-CD1 4.19Å; L371-I620 HydrophobicContact CD2-CG1 3.99Å; L371-I620 HydrophobicContact CG-CD1 4.41Å; L371-I620 HydrophobicContact CG-CG1 4.28Å; W613-I620 HydrophobicContact CE3-CD1 4.48Å; W613-I620 HydrophobicContact CH2-CD1 4.14Å; W613-I620 HydrophobicContact CZ3-CD1 3.71Å; A616-I620 HydrophobicContact CB-CD1 4.43Å; A616-I620 PolarHBondContact O-N 3.41Å; A617-I620 PolarHBondContact O-N 2.97Å; I620-Y623 PolarHBondContact O-N 3.21Å; I620-R624 PolarHBondContact O-N 3Å
621E94.1Very high89.5Confident79 Ų7962.9 Ų62.937%0.36931%0.31SS..Hα-helixtrans-70.9-37.3-179.5-67.8-51.6138.200112.5A617 Y623 R624 M625A617-E621 WeakPolarHBondContact O-CG 3.44Å; A617-E621 PolarHBondContact O-N 3.46Å; E621-Y623 VanDerWaalsContact C-N 3.33Å; E621-Y623 PolarHBondContact O-N 2.98Å; E621-R624 WeakPolarHBondContact O-CB 3.36Å; E621-R624 PolarHBondContact O-N 3.33Å; E621-R624 VanDerWaalsContact O-N 3.16Å; E621-R624 IonicContact OE2-NE 3.78Å; E621-M625 WeakPolarHBondContact O-CG 3.23Å; E621-M625 PolarHBondContact O-N 2.99Å
622K91.5Very high88.4Confident85 Ų8565 Ų6537%0.3732%0.316SS..Hα-helixtrans-58.7-46.6172.3-174.2-176.8179-164.90111.1P618 Y619 R624 M625 E626P618-K622 WeakPolarHBondContact O-CB 3.36Å; P618-K622 PolarHBondContact O-N 3.4Å; Y619-K622 PolarHBondContact O-N 3.45Å; K622-R624 VanDerWaalsContact C-N 3.25Å; K622-R624 PolarHBondContact O-N 3.16Å; K622-M625 PolarHBondContact O-N 3.21Å; K622-E626 WeakPolarHBondContact CE-OE1 3.42Å; K622-E626 WeakPolarHBondContact CE-OE2 3.48Å; K622-E626 HydrophobicContact CG-CG 4.23Å; K622-E626 WeakPolarHBondContact CG-OE1 3.47Å; K622-E626 IonicContact NZ-OE1 3.91Å; K622-E626 IonicContact NZ-OE2 3.99Å; K622-E626 WeakPolarHBondContact O-CB 3.4Å; K622-E626 PolarHBondContact O-N 3.05Å
623Y90.3Very high86.9Confident16 Ų1666.2 Ų66.26%0.06332%0.323CS..Hα-helixtrans-59.1-37.6176-165.5-80.6000112.1F366 D373 Y619 I620 E621 I628F366-Y623 AromaticContact CE2-CD1 3.75Å; F366-Y623 HydrophobicContact CE2-CD1 3.75Å; F366-Y623 HydrophobicContact CE2-CE1 4.24Å; F366-Y623 HydrophobicContact CZ-CD1 4.1Å; D373-Y623 HydrophobicContact CB-CE2 3.89Å; D373-Y623 WeakPolarHBondContact OD2-CE2 3.05Å; D373-Y623 PolarHBondContact OD2-OH 2.98Å; Y619-Y623 WeakPolarHBondContact O-CB 3.18Å; Y619-Y623 PolarHBondContact O-N 3.41Å; I620-Y623 PolarHBondContact O-N 3.21Å; E621-Y623 VanDerWaalsContact C-N 3.33Å; E621-Y623 PolarHBondContact O-N 2.98Å; Y623-I628 HydrophobicContact CD2-CB 4.3Å; Y623-I628 HydrophobicContact CD2-CD1 3.73Å; Y623-I628 HydrophobicContact CD2-CG1 4.47Å; Y623-I628 HydrophobicContact CE2-CB 4.06Å; Y623-I628 HydrophobicContact CE2-CD1 4.24Å; Y623-I628 HydrophobicContact CE2-CG2 4.1Å; Y623-I628 HydrophobicContact CG-CD1 4.24Å
624R89.9Confident85.2Confident95 Ų9570.1 Ų70.136%0.35835%0.346SS..Hα-helixtrans-64.4-44.9175.8-163.5178.8-70-84.56112.5E363 F366 I620 E621 K622E363-R624 VanDerWaalsContact CD-NH2 3.32Å; E363-R624 IonicContact OE1-NH2 3.53Å; E363-R624 PolarHBondContact OE1-NH2 3.13Å; E363-R624 IonicContact OE2-CZ 3.67Å; E363-R624 IonicContact OE2-NH1 3.6Å; E363-R624 IonicContact OE2-NH2 3.45Å; E363-R624 PolarHBondContact OE2-NH2 3.3Å; F366-R624 HydrophobicContact CE1-CB 4.37Å; F366-R624 VanDerWaalsContact CE1-CZ 3.42Å; F366-R624 HydrophobicContact CE2-CB 4.42Å; F366-R624 HydrophobicContact CZ-CB 3.64Å; F366-R624 HydrophobicContact CZ-CG 3.99Å; I620-R624 PolarHBondContact O-N 3Å; E621-R624 WeakPolarHBondContact O-CB 3.36Å; E621-R624 PolarHBondContact O-N 3.33Å; E621-R624 VanDerWaalsContact O-N 3.16Å; E621-R624 IonicContact OE2-NE 3.78Å; K622-R624 VanDerWaalsContact C-N 3.25Å; K622-R624 PolarHBondContact O-N 3.16Å
625M88.7Confident83.5Confident134 Ų13465.1 Ų65.166%0.6632%0.324SS*.Hα-helixtrans-76.5-40-174.3-69.3-171.8-65.400113.1E621 K622 H627E621-M625 WeakPolarHBondContact O-CG 3.23Å; E621-M625 PolarHBondContact O-N 2.99Å; K622-M625 PolarHBondContact O-N 3.21Å; M625-H627 PolarHBondContact O-N 2.84Å; M625-H627 PolarHBondContact O-ND1 3.4Å
626E83.6Confident81.6Confident105 Ų10566.7 Ų66.749%0.49134%0.336SS..THydrogen-bonded Turntrans-78.3-1.7-171.5-70.3-176.6177.900113.9K622 I628K622-E626 WeakPolarHBondContact CE-OE1 3.42Å; K622-E626 WeakPolarHBondContact CE-OE2 3.48Å; K622-E626 HydrophobicContact CG-CG 4.23Å; K622-E626 WeakPolarHBondContact CG-OE1 3.47Å; K622-E626 IonicContact NZ-OE1 3.91Å; K622-E626 IonicContact NZ-OE2 3.99Å; K622-E626 WeakPolarHBondContact O-CB 3.4Å; K622-E626 PolarHBondContact O-N 3.05Å; E626-I628 HydrophobicContact CB-CD1 4.29Å; E626-I628 HydrophobicContact CB-CG1 3.75Å; E626-I628 PolarHBondContact O-N 3.4Å; E626-I628 VanDerWaalsContact O-N 3.13Å
627H70Confident79.6Confident166 Ų16669 Ų6977%0.76935%0.35SS*.THydrogen-bonded Turntrans46.642-177.2-65.273.8000111.7M625 P629M625-H627 PolarHBondContact O-N 2.84Å; M625-H627 PolarHBondContact O-ND1 3.4Å; H627-P629 WeakPolarHBondContact O-CD 3.09Å
628I72.3Confident77.8Confident27 Ų2770.2 Ų70.214%0.13836%0.36CS..PPolyproline II helixtrans-55.4124.2-175.7-59.3179.8000107.9Y623 E626 E630Y623-I628 HydrophobicContact CD2-CB 4.3Å; Y623-I628 HydrophobicContact CD2-CD1 3.73Å; Y623-I628 HydrophobicContact CD2-CG1 4.47Å; Y623-I628 HydrophobicContact CE2-CB 4.06Å; Y623-I628 HydrophobicContact CE2-CD1 4.24Å; Y623-I628 HydrophobicContact CE2-CG2 4.1Å; Y623-I628 HydrophobicContact CG-CD1 4.24Å; E626-I628 HydrophobicContact CB-CD1 4.29Å; E626-I628 HydrophobicContact CB-CG1 3.75Å; E626-I628 PolarHBondContact O-N 3.4Å; E626-I628 VanDerWaalsContact O-N 3.13Å; I628-E630 PolarHBondContact O-N 3.3Å
629P73.4Confident76.2Confident114 Ų11473.9 Ų73.974%0.7437%0.368SS*.PPolyproline II helixtrans-54.1128.8177.9-25.633.8000109.7H627 S631H627-P629 WeakPolarHBondContact O-CD 3.09Å; P629-S631 PolarHBondContact O-N 2.84Å; P629-S631 VanDerWaalsContact O-N 3.12Å
630E78.2Confident74.7Confident46 Ų4673.4 Ų73.422%0.21537%0.373CS..PPolyproline II helixtrans-56.3119.6-177.7178.2174.8-137.600111T350 R369 I628 R632T350-E630 WeakPolarHBondContact CB-OE1 3.4Å; T350-E630 PolarHBondContact N-OE1 3.12Å; T350-E630 VanDerWaalsContact OG1-CD 3.26Å; T350-E630 PolarHBondContact OG1-OE1 2.77Å; T350-E630 PolarHBondContact OG1-OE2 3.1Å; R369-E630 WeakPolarHBondContact CD-OE1 3.28Å; R369-E630 IonicContact NE-OE1 3.77Å; I628-E630 PolarHBondContact O-N 3.3Å; E630-R632 HydrophobicContact CG-CG 4.19Å; E630-R632 PolarHBondContact O-N 3.42Å; E630-R632 IonicContact OE2-CZ 2.94Å; E630-R632 VanDerWaalsContact OE2-CZ 3.32Å; E630-R632 IonicContact OE2-NE 3.52Å; E630-R632 PolarHBondContact OE2-NE 3.17Å; E630-R632 IonicContact OE2-NH2 2.82Å; E630-R632 PolarHBondContact OE2-NH2 2.71Å
631S72Confident73.2Confident25 Ų2579.1 Ų79.118%0.17540%0.403CS..PPolyproline II helixtrans-64.4122.3170.81770000109.8D373 D375 P629 P633D373-S631 VanDerWaalsContact OD1-CB 3.23Å; D373-S631 WeakPolarHBondContact OD1-CB 3.49Å; D375-S631 WeakPolarHBondContact OD2-CB 3.19Å; D375-S631 PolarHBondContact OD2-OG 2.83Å; P629-S631 PolarHBondContact O-N 2.84Å; P629-S631 VanDerWaalsContact O-N 3.12Å; S631-P633 VanDerWaalsContact C-CD 3.44Å; S631-P633 WeakPolarHBondContact O-CD 3.45Å; S631-P633 WeakPolarHBondContact OG-CD 2.83Å
632R75.2Confident71.5Confident125 Ų12583.8 Ų83.847%0.47242%0.422SS..  trans-120.870.7174.7-64.3-171.9-175.4-142.711.7109.1D349 D351 E630 L634D349-R632 IonicContact OD1-CZ 2.84Å; D349-R632 IonicContact OD1-NH1 3.42Å; D349-R632 PolarHBondContact OD1-NH1 2.94Å; D349-R632 IonicContact OD1-NH2 2.83Å; D349-R632 IonicContact OD2-CZ 3.32Å; D349-R632 VanDerWaalsContact OD2-CZ 3.28Å; D349-R632 IonicContact OD2-NE 3.24Å; D349-R632 IonicContact OD2-NH1 2.77Å; D349-R632 PolarHBondContact OD2-NH1 3.17Å; D351-R632 VanDerWaalsContact CG-NH2 3.31Å; D351-R632 IonicContact OD1-NH2 3.21Å; D351-R632 PolarHBondContact OD1-NH2 3.19Å; D351-R632 IonicContact OD2-CZ 3.66Å; D351-R632 VanDerWaalsContact OD2-CZ 3.24Å; D351-R632 IonicContact OD2-NH1 3.89Å; D351-R632 PolarHBondContact OD2-NH1 3.23Å; D351-R632 IonicContact OD2-NH2 3.61Å; D351-R632 PolarHBondContact OD2-NH2 2.67Å; E630-R632 HydrophobicContact CG-CG 4.19Å; E630-R632 PolarHBondContact O-N 3.42Å; E630-R632 IonicContact OE2-CZ 2.94Å; E630-R632 VanDerWaalsContact OE2-CZ 3.32Å; E630-R632 IonicContact OE2-NE 3.52Å; E630-R632 PolarHBondContact OE2-NE 3.17Å; E630-R632 IonicContact OE2-NH2 2.82Å; E630-R632 PolarHBondContact OE2-NH2 2.71Å; R632-L634 PolarHBondContact O-N 3.02Å
633P67.3Low69.9Low24 Ų2483.8 Ų83.816%0.15642%0.422CS..  trans-62.7137.7-173.625.5-31.1000109.8K346 S631 S635K346-P633 WeakPolarHBondContact CE-O 3.46Å; K346-P633 PolarHBondContact NZ-O 2.91Å; S631-P633 VanDerWaalsContact C-CD 3.44Å; S631-P633 WeakPolarHBondContact O-CD 3.45Å; S631-P633 WeakPolarHBondContact OG-CD 2.83Å; P633-S635 PolarHBondContact O-N 2.56Å
634L63.8Low68.1Low114 Ų11487.5 Ų87.560%0.59744%0.442SS*.  trans-61.4133.2174.9-62.5172.8000108.4R632 F643R632-L634 PolarHBondContact O-N 3.02Å; L634-F643 HydrophobicContact CB-CZ 4.14Å; L634-F643 HydrophobicContact CD1-CZ 4.3Å; L634-F643 HydrophobicContact CD2-CE2 3.88Å; L634-F643 HydrophobicContact CD2-CZ 3.62Å; L634-F643 HydrophobicContact CG-CZ 4.22Å
635S61.4Low66.2Low17 Ų1790.1 Ų90.112%0.11946%0.459CS..  trans-129.1143.2168.992.70000108.6K346 P633 T637 A638K346-S635 WeakPolarHBondContact CE-OG 3.49Å; K346-S635 PolarHBondContact NZ-OG 3Å; P633-S635 PolarHBondContact O-N 2.56Å; S635-T637 PolarHBondContact O-N 3.24Å; S635-T637 PolarHBondContact OG-OG1 3.42Å; S635-A638 PolarHBondContact O-N 3.23Å; S635-A638 PolarHBondContact OG-N 3.13Å
636P58.3Low64.3Low73 Ų7391.8 Ų91.847%0.47446%0.462SS..THydrogen-bonded Turntrans-66.7-17.6-177.727.9-35.5000113R386 F387R386-P636 WeakPolarHBondContact O-CD 3.47Å; F387-P636 HydrophobicContact CB-CG 4.49Å; F387-P636 HydrophobicContact CD1-CG 4.19Å
637T56.5Low62.4Low50 Ų5095.8 Ų95.831%0.30748%0.478SS..THydrogen-bonded Turntrans-92.6-8.8-178.854.80000114.1R390 V391 S635R390-T637 VanDerWaalsContact O-CG2 3.28Å; R390-T637 WeakPolarHBondContact O-CG2 3.25Å; R390-T637 PolarHBondContact O-OG1 3.38Å; V391-T637 HydrophobicContact CG2-CG2 4.2Å; S635-T637 PolarHBondContact O-N 3.24Å; S635-T637 PolarHBondContact OG-OG1 3.42Å
638A58.7Low61.2Low39 Ų3992.2 Ų92.232%0.32247%0.472SS..SBendtrans-97.1132.5170.600000110.9K346 S635K346-A638 HydrophobicContact CD-CB 4.13Å; S635-A638 PolarHBondContact O-N 3.23Å; S635-A638 PolarHBondContact OG-N 3.13Å
639F63.6Low60.1Low158 Ų15896.4 Ų96.469%0.69350%0.498SS*.  trans-80.1132.4175.1-178.3-97.8000110.8L641 L644F639-L641 HydrophobicContact CE1-CD2 3.85Å; F639-L641 HydrophobicContact CE1-CG 4.11Å; F639-L641 HydrophobicContact CZ-CD2 3.93Å; F639-L644 HydrophobicContact CE2-CD1 3.92Å; F639-L644 HydrophobicContact CE2-CG 4.46Å; F639-L644 HydrophobicContact CZ-CD1 3.59Å
640S64.1Low58.6Low48 Ų48100 Ų10034%0.33650%0.502SS..  trans-139.8135.8164.4162.60000109.8K642 F643S640-K642 PolarHBondContact O-N 3.18Å; S640-K642 VanDerWaalsContact O-N 3.1Å; S640-K642 PolarHBondContact OG-N 3.32Å; S640-F643 WeakPolarHBondContact O-CB 3.34Å; S640-F643 PolarHBondContact O-N 3.36Å
641L65.1Low56.9Low122 Ų122104.6 Ų104.664%0.63953%0.527SS*.Hα-helixtrans-57.3-26.4-179.6-70.9169.2000112.5F639 F643 L644F639-L641 HydrophobicContact CE1-CD2 3.85Å; F639-L641 HydrophobicContact CE1-CG 4.11Å; F639-L641 HydrophobicContact CZ-CD2 3.93Å; L641-F643 PolarHBondContact O-N 3.43Å; L641-L644 HydrophobicContact CD2-CD1 3.96Å; L641-L644 PolarHBondContact O-N 3.45Å
642K58.9Low55.5Low177 Ų177108.6 Ų108.677%0.7755%0.552SS**Hα-helixtrans-61.3-22.3173.5-67.1-176.7179.7178.20113S640S640-K642 PolarHBondContact O-N 3.18Å; S640-K642 VanDerWaalsContact O-N 3.1Å; S640-K642 PolarHBondContact OG-N 3.32Å
643F56.1Low54Low85 Ų85111.5 Ų111.537%0.37357%0.571SS.*Hα-helixtrans-79.6-29.3176.1-74.2-83.3000114L634 S640 L641 H645 K646 K647L634-F643 HydrophobicContact CB-CZ 4.14Å; L634-F643 HydrophobicContact CD1-CZ 4.3Å; L634-F643 HydrophobicContact CD2-CE2 3.88Å; L634-F643 HydrophobicContact CD2-CZ 3.62Å; L634-F643 HydrophobicContact CG-CZ 4.22Å; S640-F643 WeakPolarHBondContact O-CB 3.34Å; S640-F643 PolarHBondContact O-N 3.36Å; L641-F643 PolarHBondContact O-N 3.43Å; F643-H645 VanDerWaalsContact C-N 3.29Å; F643-H645 PolarHBondContact O-N 3.19Å; F643-K646 PolarHBondContact O-N 2.89Å; F643-K647 PolarHBondContact O-N 3.1Å
644L53.6Low52.9Low93 Ų93116.7 Ų116.749%0.48760%0.603SS.*Hα-helixtrans-63.2-38.4177.2-87.9157.4000111.2F639 L641 K647 S648F639-L644 HydrophobicContact CE2-CD1 3.92Å; F639-L644 HydrophobicContact CE2-CG 4.46Å; F639-L644 HydrophobicContact CZ-CD1 3.59Å; L641-L644 HydrophobicContact CD2-CD1 3.96Å; L641-L644 PolarHBondContact O-N 3.45Å; L644-K647 PolarHBondContact O-N 3.26Å; L644-S648 PolarHBondContact O-N 3.41Å
645H49.7Very low52.1Low151 Ų151119.9 Ų119.970%0.69962%0.615SS**Hα-helixtrans-74.3-24.9-178.9-70.425.7000113.5F643F643-H645 VanDerWaalsContact C-N 3.29Å; F643-H645 PolarHBondContact O-N 3.19Å
646K48.6Very low51.5Low168 Ų168126.9 Ų126.973%0.7365%0.651SS**Hα-helixtrans-79.7-23.4173.6-84.5-174.5175.2-178.10114F643 T649F643-K646 PolarHBondContact O-N 2.89Å; K646-T649 PolarHBondContact O-OG1 3.44Å
647K44.3Very low50.4Low189 Ų189135.3 Ų135.382%0.82269%0.69SS**Hα-helixtrans-81.8-24.6172.3-85.1-174.3174.1-178.90112.7F643 L644 T649F643-K647 PolarHBondContact O-N 3.1Å; L644-K647 PolarHBondContact O-N 3.26Å; K647-T649 VanDerWaalsContact C-N 3.33Å; K647-T649 PolarHBondContact O-N 3.45Å
648S45.3Very low50.1Low92 Ų92139.6 Ų139.664%0.64371%0.71SS**THydrogen-bonded Turntrans-77.9-8.9-178.9-167.30000115L644L644-S648 PolarHBondContact O-N 3.41Å
649T47.5Very low49.6Very low114 Ų114144.8 Ų144.870%0.69973%0.73SS**THydrogen-bonded Turntrans-99.918.4-17746.50000114.4K646 K647K646-T649 PolarHBondContact O-OG1 3.44Å; K647-T649 VanDerWaalsContact C-N 3.33Å; K647-T649 PolarHBondContact O-N 3.45Å
650K43.3Very low48.8Very low189 Ų189144.1 Ų144.182%0.82273%0.732SS**  trans-123.249.1174.1-79.7-167.2175.2-173.70112.9
651I42.3Very low47.9Very low144 Ų144149.8 Ų149.874%0.73876%0.755SS**  trans-110.6115.1155-55.9177.6000105.1E653I651-E653 PolarHBondContact O-N 3.31Å
652P41.8Very low46.9Very low108 Ų108151.5 Ų151.570%0.70176%0.763SS**  trans-68.7119.1167.83.411.3000107.1T654P652-T654 VanDerWaalsContact C-N 3.34Å; P652-T654 PolarHBondContact O-N 3.24Å
653E44Very low46.1Very low186 Ų186149.8 Ų149.887%0.86976%0.762SS**  trans-62.8102.5157.4-74.7178.5160.800106.6I651 E655I651-E653 PolarHBondContact O-N 3.31Å; E653-E655 PolarHBondContact O-N 3.04Å
654T44.1Very low45.3Very low133 Ų133154.4 Ų154.482%0.81679%0.79SS**  trans-72.3101.1159.243.40000106.9P652P652-T654 VanDerWaalsContact C-N 3.34Å; P652-T654 PolarHBondContact O-N 3.24Å
655E46.7Very low44.7Very low181 Ų181159.2 Ų159.285%0.84681%0.813SS**  trans-64.9120.5156-75.8-179150.400108.4E653E653-E655 PolarHBondContact O-N 3.04Å
656D49.2Very low44.3Very low164 Ų164159.8 Ų159.888%0.87782%0.823SS**  trans-157.691.7148.9-103.4-19.9000108.3
657L34.6Very low43.9Very low250 Ų250159.1 Ų159.1100%1.30983%0.831SS**  -161.20129-107.3171.1000110.4

Retrieved 657 of 657 residues in 289.9 ms (Link to these results)

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