A0A077ZB74_TRITR Loading...

MutS protein 4

AlphaFold DB , UniProt , Accession A0A077ZB74, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 766 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
1M32.3Very low75.6Confident206 Ų20637.5 Ų37.5100%1.01519%0.189SC*.  0141.90-76.2-88.9-175.700106.2C3M1-C3 PolarHBondContact O-N 3.43Å; M1-C3 VanDerWaalsContact O-N 3.1Å
2P49.3Very low75.8Confident76 Ų7634.3 Ų34.349%0.49417%0.173SC..  trans-59.8118.8172.424.9-30.1000107.9Y4P2-Y4 PolarHBondContact O-N 2.93Å
3C53.3Low75.9Confident6 Ų637 Ų374%0.04119%0.188CC..  trans-67.3123170.1-69.10000107.2M1 I6 W68 C70M1-C3 PolarHBondContact O-N 3.43Å; M1-C3 VanDerWaalsContact O-N 3.1Å; C3-I6 HydrophobicContact CB-CG1 4.17Å; C3-W68 WeakPolarHBondContact CB-O 3.41Å; C3-C70 HydrophobicContact CB-CB 3.82Å
4Y69.1Low75.9Confident96 Ų9639 Ų3938%0.37622%0.222SC..SBendtrans-75.4-33.9180-72.5-82.1000111.1P2 D26 M27 L28 D67P2-Y4 PolarHBondContact O-N 2.93Å; Y4-D26 CarbonylContact O-C 3.5Å; Y4-M27 HydrophobicContact CD1-CB 4.42Å; Y4-M27 WeakPolarHBondContact O-CB 3.36Å; Y4-M27 WeakPolarHBondContact O-CG 3.39Å; Y4-M27 PolarHBondContact O-N 3.11Å; Y4-L28 HydrophobicContact CD1-CD1 4.41Å; Y4-L28 HydrophobicContact CD1-CD2 3.72Å; Y4-L28 HydrophobicContact CD1-CG 3.73Å; Y4-L28 HydrophobicContact CE1-CD2 3.81Å; Y4-L28 HydrophobicContact CE1-CG 4.34Å; Y4-L28 HydrophobicContact CG-CG 4.27Å; Y4-D67 WeakPolarHBondContact CD2-OD1 3.43Å
5S82.1Confident75.4Confident0 Ų051.8 Ų51.80%028%0.275CS..EExtended strand (participates in β ladder)trans-111.5122179.7-84.80000110.9Y24 P55 N69 C70S5-Y24 PolarHBondContact OG-OH 3.08Å; S5-P55 VanDerWaalsContact OG-CG 3.3Å; S5-P55 WeakPolarHBondContact OG-CG 3.41Å; S5-N69 WeakPolarHBondContact CB-OD1 3.31Å; S5-C70 PolarHBondContact O-N 3.4Å
6I88.8Confident75.2Confident0 Ų049.9 Ų49.90%027%0.269CS..EExtended strand (participates in β ladder)trans-130.5128.4-174.5-53.9164.8000108.8C3 Y24 I25 C70 L72 L145 Y148 L149C3-I6 HydrophobicContact CB-CG1 4.17Å; I6-Y24 WeakPolarHBondContact O-CA 3.5Å; I6-I25 HydrophobicContact CB-CG2 4.48Å; I6-I25 PolarHBondContact N-O 3.3Å; I6-I25 PolarHBondContact O-N 2.62Å; I6-C70 WeakPolarHBondContact CA-O 3.44Å; I6-C70 HydrophobicContact CG1-CB 4.22Å; I6-C70 HydrophobicContact CG2-CB 4.31Å; I6-L72 HydrophobicContact CG2-CD1 3.97Å; I6-L72 HydrophobicContact CG2-CG 4.05Å; I6-L145 HydrophobicContact CB-CD1 3.94Å; I6-L145 HydrophobicContact CG2-CD1 3.43Å; I6-L145 VanDerWaalsContact CG2-CD1 3.43Å; I6-Y148 HydrophobicContact CD1-CE1 4.47Å; I6-Y148 HydrophobicContact CG2-CD1 4.49Å; I6-L149 HydrophobicContact CD1-CD2 3.45Å; I6-L149 VanDerWaalsContact CD1-CD2 3.45Å
7S92Very high75.3Confident0 Ų055.6 Ų55.60%029%0.291CS..EExtended strand (participates in β ladder)trans-120.1141.6176.9-51.70000110.4A23 Y24 C70 V71 L72S7-A23 CarbonylContact C-O 3.59Å; S7-A23 VanDerWaalsContact CA-O 3.28Å; S7-A23 WeakPolarHBondContact CA-O 3.44Å; S7-Y24 WeakPolarHBondContact OG-CD2 3.49Å; S7-C70 PolarHBondContact N-O 3.3Å; S7-V71 CarbonylContact O-C 3.59Å; S7-V71 WeakPolarHBondContact O-CA 3.48Å; S7-L72 PolarHBondContact O-N 3.2Å
8A93.6Very high75.2Confident0 Ų053.1 Ų53.10%028%0.28CS..EExtended strand (participates in β ladder)trans-116.1136.9167.400000110.1I22 A23 L72 F108 S141 L145A8-I22 WeakPolarHBondContact O-CA 3.33Å; A8-A23 PolarHBondContact N-O 3.47Å; A8-A23 PolarHBondContact O-N 3.01Å; A8-L72 HydrophobicContact CB-CB 4.04Å; A8-L72 HydrophobicContact CB-CD1 4.3Å; A8-F108 HydrophobicContact CB-CE1 4.48Å; A8-S141 WeakPolarHBondContact CB-O 3.41Å; A8-S141 WeakPolarHBondContact O-CB 3.46Å; A8-S141 PolarHBondContact O-OG 3Å; A8-L145 HydrophobicContact CB-CB 3.81Å; A8-L145 HydrophobicContact CB-CD1 4.45Å
9I93.5Very high75.6Confident0 Ų053.9 Ų53.90%028%0.282CS..EExtended strand (participates in β ladder)trans-127.2135-175.6-53.6168.2000109.7V20 G21 I22 L46 L50 V71 L72 L73 M84 L87 I91 F108I9-V20 HydrophobicContact CG2-CG1 3.87Å; I9-G21 WeakPolarHBondContact CA-O 3.48Å; I9-I22 HydrophobicContact CG1-CD1 4.22Å; I9-I22 HydrophobicContact CG1-CG1 4.16Å; I9-L46 HydrophobicContact CD1-CD1 4.13Å; I9-L46 HydrophobicContact CD1-CD2 4.3Å; I9-L46 HydrophobicContact CG1-CD1 4.41Å; I9-L46 HydrophobicContact CG2-CD1 4.28Å; I9-L46 HydrophobicContact CG2-CD2 4.06Å; I9-L50 HydrophobicContact CD1-CD1 4.02Å; I9-L50 HydrophobicContact CD1-CD2 4.19Å; I9-V71 HydrophobicContact CD1-CG1 3.54Å; I9-V71 HydrophobicContact CG1-CG1 4.21Å; I9-L72 PolarHBondContact N-O 3.07Å; I9-L73 HydrophobicContact CB-CD2 3.82Å; I9-L73 HydrophobicContact CG2-CD2 4.36Å; I9-M84 HydrophobicContact CG2-CE 4.44Å; I9-L87 HydrophobicContact CG2-CD2 4.29Å; I9-I91 HydrophobicContact CD1-CD1 4.21Å; I9-F108 WeakPolarHBondContact O-CE1 3.5Å
10A90Very high76.3Confident6 Ų651.3 Ų51.35%0.0527%0.269CS..EExtended strand (participates in β ladder)trans-129.6140.117300000109.6V20 G21 F108 S141A10-V20 WeakPolarHBondContact O-CA 3.45Å; A10-G21 PolarHBondContact N-O 3.14Å; A10-G21 PolarHBondContact O-N 2.93Å; A10-F108 HydrophobicContact CB-CD1 3.99Å; A10-F108 HydrophobicContact CB-CE1 4.37Å; A10-S141 VanDerWaalsContact CB-OG 3.28Å; A10-S141 WeakPolarHBondContact CB-OG 3.36Å; A10-S141 PolarHBondContact N-OG 3.21Å
11E87.9Confident77Confident22 Ų2248.8 Ų48.810%0.10326%0.256CS..EExtended strand (participates in β ladder)trans-115.7139.8173.9-167-161.6164.100110.4G18 E19 V20 Y43 M84E11-G18 PolarHBondContact OE1-N 2.82Å; E11-E19 CarbonylContact C-O 2.86Å; E11-E19 WeakPolarHBondContact CA-O 3.19Å; E11-V20 HydrophobicContact CG-CG2 4.36Å; E11-Y43 VanDerWaalsContact CD-OH 3.3Å; E11-Y43 PolarHBondContact OE1-OH 3.12Å; E11-Y43 PolarHBondContact OE2-OH 3.36Å; E11-M84 HydrophobicContact CB-CE 3.58Å; E11-M84 HydrophobicContact CB-CG 4.39Å; E11-M84 HydrophobicContact CB-SD 3.92Å; E11-M84 WeakPolarHBondContact OE2-CG 3.4Å
12G78.4Confident79.8Confident0 Ų039.1 Ų39.10%021%0.208CC..  trans-64.3152.2170.700000113.2A16 K17 E19 Y137G12-A16 CarbonylContact C-O 3.43Å; G12-A16 WeakPolarHBondContact CA-O 3.13Å; G12-K17 WeakPolarHBondContact O-CA 3.31Å; G12-E19 PolarHBondContact N-O 2.99Å; G12-Y137 WeakPolarHBondContact CA-OH 3.43Å
13L76.8Confident81.9Confident69 Ų6935.5 Ų35.536%0.36119%0.185SC..  trans-118157179-66.3176.7000110.6F15 A16 K83 R105L13-F15 PolarHBondContact O-N 3.23Å; L13-A16 PolarHBondContact O-N 2.99Å; L13-K83 HydrophobicContact CD1-CD 4.35Å; L13-K83 HydrophobicContact CD2-CD 3.58Å; L13-R105 VanDerWaalsContact CD1-NH2 3.34Å
14G76.3Confident83.8Confident65 Ų6536 Ų3667%0.6719%0.185SC*.G310 helixtrans66-120.3176.600000111.5A16 K17G14-A16 PolarHBondContact O-N 3.16Å; G14-K17 VanDerWaalsContact O-CB 3.28Å; G14-K17 WeakPolarHBondContact O-CB 3.16Å; G14-K17 PolarHBondContact O-N 3.33Å
15F68.2Low84.7Confident231 Ų23131.4 Ų31.4100%1.01317%0.168SC*.G310 helixtrans-67-22.6179.4-74.4-76.4000113.9L13L13-F15 PolarHBondContact O-N 3.23Å
16A72.2Confident84.7Confident22 Ų2231.6 Ų31.618%0.18217%0.169CC..G310 helixtrans-96.913.8177.200000112.8G12 L13 G14 G18 E19 Y137G12-A16 CarbonylContact C-O 3.43Å; G12-A16 WeakPolarHBondContact CA-O 3.13Å; L13-A16 PolarHBondContact O-N 2.99Å; G14-A16 PolarHBondContact O-N 3.16Å; A16-G18 PolarHBondContact O-N 3.15Å; A16-E19 WeakPolarHBondContact O-CB 3.43Å; A16-E19 PolarHBondContact O-N 3.13Å; A16-Y137 HydrophobicContact CB-CE2 4Å; A16-Y137 WeakPolarHBondContact CB-OH 3.33Å
17K75.8Confident84.1Confident147 Ų14733.3 Ų33.364%0.63918%0.177SC*.THydrogen-bonded Turntrans-58.8132.8177.9-172.1178.9-179.3-177.30110.2G12 G14 E19G12-K17 WeakPolarHBondContact O-CA 3.31Å; G14-K17 VanDerWaalsContact O-CB 3.28Å; G14-K17 WeakPolarHBondContact O-CB 3.16Å; G14-K17 PolarHBondContact O-N 3.33Å; K17-E19 VanDerWaalsContact C-N 3.35Å
18G74.4Confident83.2Confident10 Ų1035 Ų3510%0.10319%0.186CC..THydrogen-bonded Turntrans87.5-7.6-173.700000114.7E11 A16 D39E11-G18 PolarHBondContact OE1-N 2.82Å; A16-G18 PolarHBondContact O-N 3.15Å; G18-D39 PolarHBondContact O-N 2.67Å
19E83.4Confident82.3Confident68 Ų6836.1 Ų36.132%0.31819%0.191SC..EExtended strand (participates in β ladder)trans-77.9126.6162.8-69.8-160.8167.100110.2E11 G12 A16 K17 Y137E11-E19 CarbonylContact C-O 2.86Å; E11-E19 WeakPolarHBondContact CA-O 3.19Å; G12-E19 PolarHBondContact N-O 2.99Å; A16-E19 WeakPolarHBondContact O-CB 3.43Å; A16-E19 PolarHBondContact O-N 3.13Å; K17-E19 VanDerWaalsContact C-N 3.35Å; E19-Y137 HydrophobicContact CB-CD2 3.92Å; E19-Y137 HydrophobicContact CB-CE2 3.85Å; E19-Y137 WeakPolarHBondContact OE2-CE2 3.32Å
20V88.7Confident81.6Confident1 Ų136.3 Ų36.31%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-120.3130.3-177.3-178.30000109.2I9 A10 E11 Q36 F37 D39 Y43 L46I9-V20 HydrophobicContact CG2-CG1 3.87Å; A10-V20 WeakPolarHBondContact O-CA 3.45Å; E11-V20 HydrophobicContact CG-CG2 4.36Å; V20-Q36 WeakPolarHBondContact O-CA 3.36Å; V20-F37 HydrophobicContact CB-CE2 4.31Å; V20-F37 PolarHBondContact N-O 3.37Å; V20-F37 PolarHBondContact O-N 3.08Å; V20-D39 HydrophobicContact CG2-CB 4.18Å; V20-Y43 HydrophobicContact CG2-CD1 4.18Å; V20-Y43 HydrophobicContact CG2-CE1 4.13Å; V20-L46 HydrophobicContact CG1-CD1 3.88Å; V20-L46 HydrophobicContact CG1-CD2 3.98Å; V20-L46 HydrophobicContact CG1-CG 4.34Å
21G90.2Very high81.4Confident0 Ų036.3 Ų36.30%019%0.192CC..EExtended strand (participates in β ladder)trans-110.7131169.900000111I9 A10 A35 S141I9-G21 WeakPolarHBondContact CA-O 3.48Å; A10-G21 PolarHBondContact N-O 3.14Å; A10-G21 PolarHBondContact O-N 2.93Å; G21-A35 WeakPolarHBondContact CA-O 3.49Å; G21-S141 PolarHBondContact O-OG 3.07Å
22I92.6Very high81.5Confident3 Ų335.2 Ų35.22%0.01519%0.187CC..EExtended strand (participates in β ladder)trans-124.8137.7176.5-172.3168.6000110.3A8 I9 A35 F37 L46 L50 L53A8-I22 WeakPolarHBondContact O-CA 3.33Å; I9-I22 HydrophobicContact CG1-CD1 4.22Å; I9-I22 HydrophobicContact CG1-CG1 4.16Å; I22-A35 HydrophobicContact CG2-CB 3.77Å; I22-A35 PolarHBondContact N-O 3.49Å; I22-A35 PolarHBondContact O-N 3.34Å; I22-F37 HydrophobicContact CG2-CE1 4.14Å; I22-L46 HydrophobicContact CB-CD1 4.5Å; I22-L46 HydrophobicContact CD1-CD1 4Å; I22-L50 HydrophobicContact CD1-CD2 3.77Å; I22-L50 HydrophobicContact CD1-CG 4.4Å; I22-L53 HydrophobicContact CD1-CD1 4.09Å
23A93.5Very high82Confident0 Ų039.1 Ų39.10%020%0.201CC..EExtended strand (participates in β ladder)trans-122.3135.8167.200000108.3S7 A8 L32 R33 L34 L145S7-A23 CarbonylContact C-O 3.59Å; S7-A23 VanDerWaalsContact CA-O 3.28Å; S7-A23 WeakPolarHBondContact CA-O 3.44Å; A8-A23 PolarHBondContact N-O 3.47Å; A8-A23 PolarHBondContact O-N 3.01Å; A23-L32 HydrophobicContact CB-CD1 4.5Å; A23-R33 CarbonylContact C-O 3.59Å; A23-R33 WeakPolarHBondContact CA-O 3.37Å; A23-L34 HydrophobicContact CB-CD2 3.64Å; A23-L145 HydrophobicContact CB-CB 4.49Å; A23-L145 HydrophobicContact CB-CD2 3.96Å
24Y91.9Very high82.7Confident15 Ų1535.9 Ų35.96%0.05918%0.184CC..EExtended strand (participates in β ladder)trans-136.2143.5-176.9164-93.4000111S5 I6 S7 D26 R33 L53S5-Y24 PolarHBondContact OG-OH 3.08Å; I6-Y24 WeakPolarHBondContact O-CA 3.5Å; S7-Y24 WeakPolarHBondContact OG-CD2 3.49Å; Y24-D26 HydrophobicContact CE1-CB 4.26Å; Y24-R33 HydrophobicContact CD1-CB 4.18Å; Y24-R33 HydrophobicContact CD1-CG 4.35Å; Y24-R33 PolarHBondContact N-O 3.43Å; Y24-R33 PolarHBondContact O-N 3.45Å; Y24-L53 HydrophobicContact CD1-CD1 4.43Å; Y24-L53 HydrophobicContact CD1-CD2 3.57Å; Y24-L53 HydrophobicContact CD1-CG 4.46Å; Y24-L53 HydrophobicContact CD2-CB 3.99Å; Y24-L53 HydrophobicContact CD2-CD1 4.03Å; Y24-L53 HydrophobicContact CD2-CD2 4.21Å; Y24-L53 HydrophobicContact CD2-CG 4.29Å; Y24-L53 HydrophobicContact CE1-CD2 3.7Å; Y24-L53 HydrophobicContact CE2-CB 3.9Å; Y24-L53 HydrophobicContact CE2-CD2 4.32Å; Y24-L53 HydrophobicContact CG-CB 4.41Å; Y24-L53 HydrophobicContact CG-CD1 3.83Å; Y24-L53 HydrophobicContact CG-CD2 3.81Å; Y24-L53 HydrophobicContact CG-CG 4.22Å; Y24-L53 PolarHBondContact OH-O 3.1Å
25I88.6Confident83.3Confident0 Ų032.9 Ų32.90%015%0.153CC..EExtended strand (participates in β ladder)trans-138.9139.6168.6-161.7167000110.6I6 M27 P30 L145 L149 F157 M162I6-I25 HydrophobicContact CB-CG2 4.48Å; I6-I25 PolarHBondContact N-O 3.3Å; I6-I25 PolarHBondContact O-N 2.62Å; I25-M27 HydrophobicContact CG2-SD 4.46Å; I25-P30 HydrophobicContact CD1-CB 4.34Å; I25-L145 HydrophobicContact CB-CD2 4.28Å; I25-L145 HydrophobicContact CG2-CD1 4.36Å; I25-L145 HydrophobicContact CG2-CD2 4.13Å; I25-L145 HydrophobicContact CG2-CG 4.45Å; I25-L149 HydrophobicContact CD1-CD1 4.47Å; I25-L149 HydrophobicContact CG2-CD1 3.79Å; I25-F157 HydrophobicContact CD1-CZ 4.33Å; I25-M162 HydrophobicContact CD1-CE 3.59Å; I25-M162 HydrophobicContact CD1-SD 3.76Å
26D81.3Confident84.2Confident4 Ų422.9 Ų22.92%0.02111%0.11CC..EExtended strand (participates in β ladder)trans-99.2121.7163.6-171.5-11.2000108.3Y4 Y24 L28 Q29 P30 R221Y4-D26 CarbonylContact O-C 3.5Å; Y24-D26 HydrophobicContact CE1-CB 4.26Å; D26-L28 PolarHBondContact O-N 3.09Å; D26-L28 WeakPolarHBondContact OD1-CB 3.31Å; D26-L28 PolarHBondContact OD1-N 3.15Å; D26-Q29 CarbonylContact O-C 3.55Å; D26-Q29 PolarHBondContact O-N 2.85Å; D26-Q29 VanDerWaalsContact O-N 3.08Å; D26-P30 WeakPolarHBondContact O-CA 3.44Å; D26-P30 VanDerWaalsContact O-N 3.14Å; D26-R221 IonicContact OD2-NE 3.97Å
27M78Confident84.9Confident37 Ų3722.5 Ų22.518%0.18210%0.104CC..SBendtrans-70.2-17.6178-66-60.5-64.500112.4Y4 I25 L149 F157 P272Y4-M27 HydrophobicContact CD1-CB 4.42Å; Y4-M27 WeakPolarHBondContact O-CB 3.36Å; Y4-M27 WeakPolarHBondContact O-CG 3.39Å; Y4-M27 PolarHBondContact O-N 3.11Å; I25-M27 HydrophobicContact CG2-SD 4.46Å; M27-L149 HydrophobicContact SD-CD2 3.9Å; M27-F157 HydrophobicContact CE-CE1 4.34Å; M27-F157 HydrophobicContact CE-CZ 4.23Å; M27-F157 HydrophobicContact SD-CZ 4.24Å; M27-P272 VanDerWaalsContact O-CG 3.29Å; M27-P272 WeakPolarHBondContact O-CG 3.35Å
28L72Confident85.1Confident34 Ų3418.9 Ų18.918%0.17810%0.097CC..SBendtrans-76-30169.3-64.1174.6000111.8Y4 D26 P272Y4-L28 HydrophobicContact CD1-CD1 4.41Å; Y4-L28 HydrophobicContact CD1-CD2 3.72Å; Y4-L28 HydrophobicContact CD1-CG 3.73Å; Y4-L28 HydrophobicContact CE1-CD2 3.81Å; Y4-L28 HydrophobicContact CE1-CG 4.34Å; Y4-L28 HydrophobicContact CG-CG 4.27Å; D26-L28 PolarHBondContact O-N 3.09Å; D26-L28 WeakPolarHBondContact OD1-CB 3.31Å; D26-L28 PolarHBondContact OD1-N 3.15Å; L28-P272 WeakPolarHBondContact O-CG 3.33Å
29Q75.5Confident85.2Confident25 Ų2519.3 Ų19.312%0.11710%0.097CC..SBendtrans-13786.1177.1-169.7-171.816.600108.7D26 V31 S495D26-Q29 CarbonylContact O-C 3.55Å; D26-Q29 PolarHBondContact O-N 2.85Å; D26-Q29 VanDerWaalsContact O-N 3.08Å; Q29-V31 HydrophobicContact CG-CG2 4.11Å; Q29-V31 PolarHBondContact O-N 2.88Å; Q29-S495 PolarHBondContact NE2-OG 3Å
30P77.4Confident84.7Confident3 Ų318.6 Ų18.62%0.01910%0.099CC..  trans-72.373.1-169.530.2-37.9000110.9I25 D26 M162 I271 P272 I275 Y492I25-P30 HydrophobicContact CD1-CB 4.34Å; D26-P30 WeakPolarHBondContact O-CA 3.44Å; D26-P30 VanDerWaalsContact O-N 3.14Å; P30-M162 HydrophobicContact CB-CE 4.37Å; P30-M162 WeakPolarHBondContact O-CG 3.5Å; P30-I271 HydrophobicContact CG-CG2 3.95Å; P30-P272 HydrophobicContact CG-CG 4.48Å; P30-I275 HydrophobicContact CB-CD1 4.43Å; P30-I275 HydrophobicContact CG-CD1 3.45Å; P30-I275 VanDerWaalsContact CG-CD1 3.45Å; P30-Y492 PolarHBondContact O-OH 3.05Å
31V85.8Confident84Confident6 Ų625 Ų254%0.03613%0.134CC..EExtended strand (participates in β ladder)trans-111.9118.2170.1177.60000105.7Q29 R33 R163 V165 Y492Q29-V31 HydrophobicContact CG-CG2 4.11Å; Q29-V31 PolarHBondContact O-N 2.88Å; V31-R33 HydrophobicContact CG1-CG 4.18Å; V31-R33 PolarHBondContact O-N 2.99Å; V31-R163 WeakPolarHBondContact CA-O 3.24Å; V31-R163 HydrophobicContact CG1-CB 4.48Å; V31-R163 HydrophobicContact CG1-CG 4.21Å; V31-R163 HydrophobicContact CG2-CB 4.33Å; V31-V165 HydrophobicContact CG1-CG2 3.9Å; V31-Y492 HydrophobicContact CG2-CD1 3.81Å; V31-Y492 HydrophobicContact CG2-CE1 3.62Å
32L90.2Very high83Confident0 Ų027.9 Ų27.90%015%0.151CC..EExtended strand (participates in β ladder)trans-80.7110.2176.3178.264.7000108.9A23 L34 I120 T142 L145 M162 R163 I164 V165A23-L32 HydrophobicContact CB-CD1 4.5Å; L32-L34 HydrophobicContact CD1-CD2 4Å; L32-L34 HydrophobicContact CD2-CD2 4.21Å; L32-L34 HydrophobicContact CG-CD2 3.81Å; L32-L34 HydrophobicContact CG-CG 4.29Å; L32-I120 HydrophobicContact CD2-CD1 4.22Å; L32-T142 HydrophobicContact CD2-CG2 3.72Å; L32-L145 HydrophobicContact CD1-CD2 3.69Å; L32-M162 HydrophobicContact CB-CG 4.45Å; L32-M162 HydrophobicContact CB-SD 3.85Å; L32-R163 PolarHBondContact N-O 3.44Å; L32-I164 HydrophobicContact CB-CG1 4.19Å; L32-I164 HydrophobicContact CB-CG2 4.46Å; L32-I164 HydrophobicContact CD2-CD1 4.09Å; L32-I164 HydrophobicContact CD2-CG1 4.22Å; L32-I164 HydrophobicContact CD2-CG2 4.3Å; L32-I164 HydrophobicContact CG-CG2 4.43Å; L32-I164 CarbonylContact O-C 3.57Å; L32-I164 WeakPolarHBondContact O-CA 3.22Å; L32-V165 PolarHBondContact O-N 3.35Å
33R89.7Confident82.2Confident81 Ų8128.4 Ų28.431%0.30615%0.153SC..EExtended strand (participates in β ladder)trans-99128.3178.4-62.4177.4-179.8-90.4-3.3109.8A23 Y24 V31 V165 E167A23-R33 CarbonylContact C-O 3.59Å; A23-R33 WeakPolarHBondContact CA-O 3.37Å; Y24-R33 HydrophobicContact CD1-CB 4.18Å; Y24-R33 HydrophobicContact CD1-CG 4.35Å; Y24-R33 PolarHBondContact N-O 3.43Å; Y24-R33 PolarHBondContact O-N 3.45Å; V31-R33 HydrophobicContact CG1-CG 4.18Å; V31-R33 PolarHBondContact O-N 2.99Å; R33-V165 CarbonylContact C-O 3.56Å; R33-V165 WeakPolarHBondContact CA-O 3.38Å; R33-E167 WeakPolarHBondContact CD-OE1 3.39Å; R33-E167 IonicContact CZ-OE1 3.63Å; R33-E167 IonicContact NE-OE1 2.65Å; R33-E167 IonicContact NH1-OE1 3.06Å; R33-E167 PolarHBondContact NH1-OE1 2.96Å
34L90.6Very high81.1Confident1 Ų130 Ų301%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-120.4138.4-175.8-55-178.5000109.6A23 L32 I117 L132 T142 I164 V165 Y166 E167A23-L34 HydrophobicContact CB-CD2 3.64Å; L32-L34 HydrophobicContact CD1-CD2 4Å; L32-L34 HydrophobicContact CD2-CD2 4.21Å; L32-L34 HydrophobicContact CG-CD2 3.81Å; L32-L34 HydrophobicContact CG-CG 4.29Å; L34-I117 HydrophobicContact CD1-CD1 3.77Å; L34-L132 HydrophobicContact CB-CD2 4.48Å; L34-L132 HydrophobicContact CD1-CD1 3.97Å; L34-L132 HydrophobicContact CD1-CD2 3.81Å; L34-T142 HydrophobicContact CD2-CG2 4.43Å; L34-T142 WeakPolarHBondContact CD2-OG1 3.42Å; L34-I164 HydrophobicContact CD1-CG2 3.72Å; L34-I164 HydrophobicContact CG-CG2 4.17Å; L34-V165 PolarHBondContact N-O 2.9Å; L34-Y166 HydrophobicContact CB-CD2 4.1Å; L34-Y166 CarbonylContact O-C 3.55Å; L34-Y166 WeakPolarHBondContact O-CA 3.44Å; L34-E167 PolarHBondContact O-N 3.31Å
35A89.2Confident80.3Confident2 Ų232.9 Ų32.92%0.01718%0.177CC..EExtended strand (participates in β ladder)trans-147.5145.4170.300000111.2G21 I22 F37 C138G21-A35 WeakPolarHBondContact CA-O 3.49Å; I22-A35 HydrophobicContact CG2-CB 3.77Å; I22-A35 PolarHBondContact N-O 3.49Å; I22-A35 PolarHBondContact O-N 3.34Å; A35-F37 HydrophobicContact CB-CD1 4.23Å; A35-F37 HydrophobicContact CB-CE1 4.13Å; A35-C138 WeakPolarHBondContact O-CB 3.45Å
36Q88.5Confident79.9Confident21 Ų2132.9 Ų32.910%0.09818%0.177CC..EExtended strand (participates in β ladder)trans-134.4131.3169.6-174.8170.4-42.500109.5V20 K135 C138V20-Q36 WeakPolarHBondContact O-CA 3.36Å; Q36-K135 HydrophobicContact CB-CD 4.44Å; Q36-K135 VanDerWaalsContact OE1-CA 3.24Å; Q36-K135 PolarHBondContact OE1-O 3.28Å; Q36-C138 HydrophobicContact CB-CB 4.15Å
37F84.8Confident79.8Confident15 Ų1532.9 Ų32.97%0.06618%0.177CC..EExtended strand (participates in β ladder)trans-154.9155.2-178.748.1-94.7000111.6V20 I22 A35 D39 K45 L46 K49V20-F37 HydrophobicContact CB-CE2 4.31Å; V20-F37 PolarHBondContact N-O 3.37Å; V20-F37 PolarHBondContact O-N 3.08Å; I22-F37 HydrophobicContact CG2-CE1 4.14Å; A35-F37 HydrophobicContact CB-CD1 4.23Å; A35-F37 HydrophobicContact CB-CE1 4.13Å; F37-D39 HydrophobicContact CD2-CB 4.42Å; F37-D39 HydrophobicContact CE2-CB 4.48Å; F37-K45 HydrophobicContact CD2-CB 3.82Å; F37-K45 HydrophobicContact CD2-CD 4.07Å; F37-K45 HydrophobicContact CE2-CB 3.63Å; F37-K45 HydrophobicContact CZ-CB 4.42Å; F37-L46 HydrophobicContact CE2-CB 4.1Å; F37-L46 HydrophobicContact CZ-CB 4.21Å; F37-L46 HydrophobicContact CZ-CD1 4.28Å; F37-K49 HydrophobicContact CZ-CB 4.5Å
38S80.6Confident79.6Confident70 Ų7032.4 Ų32.449%0.4918%0.179SC..EExtended strand (participates in β ladder)trans-81.5131.7170.2-300000109.7K45S38-K45 WeakPolarHBondContact O-CD 3.23Å; S38-K45 PolarHBondContact O-NZ 3.25Å
39D76.3Confident80Confident20 Ų2031.6 Ų31.611%0.10717%0.174CC..  trans-122.5164.7-179.2-147.2-19.5000111.8G18 V20 F37 Y43 S44 K45 L46G18-D39 PolarHBondContact O-N 2.67Å; V20-D39 HydrophobicContact CG2-CB 4.18Å; F37-D39 HydrophobicContact CD2-CB 4.42Å; F37-D39 HydrophobicContact CE2-CB 4.48Å; D39-Y43 VanDerWaalsContact OD2-CA 3.29Å; D39-Y43 WeakPolarHBondContact OD2-CA 3.36Å; D39-S44 PolarHBondContact OD1-N 3.24Å; D39-S44 VanDerWaalsContact OD1-N 3.1Å; D39-S44 PolarHBondContact OD1-OG 3.18Å; D39-K45 PolarHBondContact OD1-N 3.49Å; D39-K45 VanDerWaalsContact OD1-N 3.17Å; D39-K45 WeakPolarHBondContact OD2-CB 3.37Å; D39-K45 PolarHBondContact OD2-N 3.42Å; D39-K45 VanDerWaalsContact OD2-N 3.11Å; D39-L46 WeakPolarHBondContact OD2-CB 3.36Å; D39-L46 PolarHBondContact OD2-N 3.02Å
40S73.6Confident80.2Confident52 Ų5230.7 Ų30.736%0.36417%0.17SC..  trans-81.4168.9172.555.30000111.1T42 Y43 S44S40-T42 PolarHBondContact O-N 2.98Å; S40-T42 PolarHBondContact OG-OG1 3.19Å; S40-Y43 PolarHBondContact O-N 3.02Å; S40-S44 PolarHBondContact OG-OG 3.28Å
41N73.1Confident80.1Confident136 Ų13631.8 Ų31.873%0.72718%0.175SC*.THydrogen-bonded Turntrans-59.4-15.6172.3-66.8-19.5000113.7Y43N41-Y43 WeakPolarHBondContact O-CD2 3.3Å
42T70.1Confident79.5Confident60 Ų6033.1 Ų33.137%0.36818%0.181SC..THydrogen-bonded Turntrans-89.8-0.8175.552.70000113.3S40 S44S40-T42 PolarHBondContact O-N 2.98Å; S40-T42 PolarHBondContact OG-OG1 3.19Å; T42-S44 PolarHBondContact O-N 2.87Å; T42-S44 VanDerWaalsContact O-N 3.1Å
43Y76.4Confident78.7Confident15 Ų1533.9 Ų33.96%0.05919%0.185CC..  trans49.236.6-179.7-62.5-87000114E11 V20 D39 S40 N41 K45 L46 L47 L87 M90E11-Y43 VanDerWaalsContact CD-OH 3.3Å; E11-Y43 PolarHBondContact OE1-OH 3.12Å; E11-Y43 PolarHBondContact OE2-OH 3.36Å; V20-Y43 HydrophobicContact CG2-CD1 4.18Å; V20-Y43 HydrophobicContact CG2-CE1 4.13Å; D39-Y43 VanDerWaalsContact OD2-CA 3.29Å; D39-Y43 WeakPolarHBondContact OD2-CA 3.36Å; S40-Y43 PolarHBondContact O-N 3.02Å; N41-Y43 WeakPolarHBondContact O-CD2 3.3Å; Y43-K45 VanDerWaalsContact C-N 3.29Å; Y43-K45 PolarHBondContact O-N 3.43Å; Y43-L46 HydrophobicContact CD1-CD2 4Å; Y43-L46 PolarHBondContact O-N 3.41Å; Y43-L47 WeakPolarHBondContact O-CB 3.29Å; Y43-L47 VanDerWaalsContact O-CG 3.29Å; Y43-L47 WeakPolarHBondContact O-CG 3.49Å; Y43-L47 PolarHBondContact O-N 3.43Å; Y43-L87 HydrophobicContact CD1-CD1 4.02Å; Y43-L87 HydrophobicContact CD2-CB 4.36Å; Y43-L87 HydrophobicContact CD2-CD1 4.17Å; Y43-L87 HydrophobicContact CE1-CD1 4.49Å; Y43-L87 HydrophobicContact CE1-CD2 4.49Å; Y43-L87 HydrophobicContact CE2-CB 4.06Å; Y43-L87 HydrophobicContact CG-CD1 3.81Å; Y43-M90 HydrophobicContact CD2-CE 3.38Å; Y43-M90 HydrophobicContact CD2-SD 4.45Å; Y43-M90 HydrophobicContact CE2-CE 3.9Å; Y43-M90 HydrophobicContact CG-CE 4.46Å
44S69.4Low77.6Confident33 Ų3330.9 Ų30.923%0.23118%0.175CC..Hα-helixtrans-60.1-38.9-171.559.60000112.8D39 S40 T42 A48D39-S44 PolarHBondContact OD1-N 3.24Å; D39-S44 VanDerWaalsContact OD1-N 3.1Å; D39-S44 PolarHBondContact OD1-OG 3.18Å; S40-S44 PolarHBondContact OG-OG 3.28Å; T42-S44 PolarHBondContact O-N 2.87Å; T42-S44 VanDerWaalsContact O-N 3.1Å; S44-A48 WeakPolarHBondContact O-CB 3.49Å; S44-A48 PolarHBondContact O-N 3.5Å
45K74.4Confident75.8Confident76 Ų7631.3 Ų31.333%0.3318%0.178SC..Hα-helixtrans-75.5-41.9-179.7-62.4179.3-175.2171.80111.2F37 S38 D39 Y43 A48 K49F37-K45 HydrophobicContact CD2-CB 3.82Å; F37-K45 HydrophobicContact CD2-CD 4.07Å; F37-K45 HydrophobicContact CE2-CB 3.63Å; F37-K45 HydrophobicContact CZ-CB 4.42Å; S38-K45 WeakPolarHBondContact O-CD 3.23Å; S38-K45 PolarHBondContact O-NZ 3.25Å; D39-K45 PolarHBondContact OD1-N 3.49Å; D39-K45 VanDerWaalsContact OD1-N 3.17Å; D39-K45 WeakPolarHBondContact OD2-CB 3.37Å; D39-K45 PolarHBondContact OD2-N 3.42Å; D39-K45 VanDerWaalsContact OD2-N 3.11Å; Y43-K45 VanDerWaalsContact C-N 3.29Å; Y43-K45 PolarHBondContact O-N 3.43Å; K45-A48 PolarHBondContact O-N 2.9Å; K45-K49 WeakPolarHBondContact O-CB 3.35Å; K45-K49 PolarHBondContact O-N 2.9Å
46L80.7Confident73.9Confident0 Ų032.1 Ų32.10%019%0.185CC..Hα-helixtrans-62.8-47.3177.917765000111.4I9 V20 I22 F37 D39 Y43 A48 K49 L50 L87I9-L46 HydrophobicContact CD1-CD1 4.13Å; I9-L46 HydrophobicContact CD1-CD2 4.3Å; I9-L46 HydrophobicContact CG1-CD1 4.41Å; I9-L46 HydrophobicContact CG2-CD1 4.28Å; I9-L46 HydrophobicContact CG2-CD2 4.06Å; V20-L46 HydrophobicContact CG1-CD1 3.88Å; V20-L46 HydrophobicContact CG1-CD2 3.98Å; V20-L46 HydrophobicContact CG1-CG 4.34Å; I22-L46 HydrophobicContact CB-CD1 4.5Å; I22-L46 HydrophobicContact CD1-CD1 4Å; F37-L46 HydrophobicContact CE2-CB 4.1Å; F37-L46 HydrophobicContact CZ-CB 4.21Å; F37-L46 HydrophobicContact CZ-CD1 4.28Å; D39-L46 WeakPolarHBondContact OD2-CB 3.36Å; D39-L46 PolarHBondContact OD2-N 3.02Å; Y43-L46 HydrophobicContact CD1-CD2 4Å; Y43-L46 PolarHBondContact O-N 3.41Å; L46-A48 VanDerWaalsContact C-N 3.33Å; L46-A48 PolarHBondContact O-N 2.69Å; L46-K49 WeakPolarHBondContact O-CB 3.36Å; L46-K49 PolarHBondContact O-N 3.11Å; L46-K49 VanDerWaalsContact O-N 3.14Å; L46-L50 HydrophobicContact CD1-CD1 4.47Å; L46-L50 HydrophobicContact CD1-CG 4.42Å; L46-L50 HydrophobicContact CG-CD1 4.24Å; L46-L50 WeakPolarHBondContact O-CG 3.47Å; L46-L50 PolarHBondContact O-N 3.03Å; L46-L87 HydrophobicContact CD2-CD1 3.46Å; L46-L87 VanDerWaalsContact CD2-CD1 3.46Å; L46-L87 HydrophobicContact CD2-CD2 3.78Å; L46-L87 HydrophobicContact CD2-CG 4.27Å
47L79.8Confident72Confident4 Ų434.1 Ų34.12%0.02119%0.194CC..Hα-helixtrans-62.8-41178.1-68.4173.9000111.4Y43 K49 L50 E51 M90 I91 F95Y43-L47 WeakPolarHBondContact O-CB 3.29Å; Y43-L47 VanDerWaalsContact O-CG 3.29Å; Y43-L47 WeakPolarHBondContact O-CG 3.49Å; Y43-L47 PolarHBondContact O-N 3.43Å; L47-K49 VanDerWaalsContact C-N 3.33Å; L47-K49 PolarHBondContact O-N 3.24Å; L47-L50 PolarHBondContact O-N 3.25Å; L47-E51 WeakPolarHBondContact O-CB 3.44Å; L47-E51 PolarHBondContact O-N 3.2Å; L47-M90 HydrophobicContact CD1-CB 4.41Å; L47-M90 HydrophobicContact CD1-SD 4.23Å; L47-I91 HydrophobicContact CD2-CG1 4.37Å; L47-F95 HydrophobicContact CD2-CE2 3.95Å
48A74.5Confident70.1Confident26 Ų2634.6 Ų34.622%0.21520%0.198CC..Hα-helixtrans-61.4-4217300000111.7S44 K45 L46 E51 I52S44-A48 WeakPolarHBondContact O-CB 3.49Å; S44-A48 PolarHBondContact O-N 3.5Å; K45-A48 PolarHBondContact O-N 2.9Å; L46-A48 VanDerWaalsContact C-N 3.33Å; L46-A48 PolarHBondContact O-N 2.69Å; A48-E51 PolarHBondContact O-N 3.42Å; A48-I52 WeakPolarHBondContact O-CD1 3.31Å; A48-I52 VanDerWaalsContact O-CG1 3.28Å; A48-I52 WeakPolarHBondContact O-CG1 3.38Å; A48-I52 PolarHBondContact O-N 3.39Å; A48-I52 VanDerWaalsContact O-N 3.13Å
49K79.1Confident67.9Low18 Ų1833 Ų338%0.07819%0.19CC..Hα-helixtrans-62.2-45.6176.2-155.180179.1177.60111.5F37 K45 L46 L47 E51 I52 L53 E167F37-K49 HydrophobicContact CZ-CB 4.5Å; K45-K49 WeakPolarHBondContact O-CB 3.35Å; K45-K49 PolarHBondContact O-N 2.9Å; L46-K49 WeakPolarHBondContact O-CB 3.36Å; L46-K49 PolarHBondContact O-N 3.11Å; L46-K49 VanDerWaalsContact O-N 3.14Å; L47-K49 VanDerWaalsContact C-N 3.33Å; L47-K49 PolarHBondContact O-N 3.24Å; K49-E51 VanDerWaalsContact C-N 3.31Å; K49-E51 PolarHBondContact O-N 3.5Å; K49-I52 WeakPolarHBondContact O-CB 3.38Å; K49-I52 PolarHBondContact O-N 3.02Å; K49-L53 HydrophobicContact CG-CD1 4.26Å; K49-L53 WeakPolarHBondContact O-CG 3.35Å; K49-L53 PolarHBondContact O-N 3.01Å; K49-E167 WeakPolarHBondContact CE-OE2 3.04Å; K49-E167 IonicContact NZ-OE2 2.61Å; K49-E167 PolarHBondContact NZ-OE2 3.36Å
50L80.3Confident65.9Low6 Ų634.4 Ų34.43%0.03120%0.201CC..Hα-helixtrans-62.9-36.7177.2-71.8172.6000112.4I9 I22 L46 L47 I52 L53 N54 V71 I91 F95I9-L50 HydrophobicContact CD1-CD1 4.02Å; I9-L50 HydrophobicContact CD1-CD2 4.19Å; I22-L50 HydrophobicContact CD1-CD2 3.77Å; I22-L50 HydrophobicContact CD1-CG 4.4Å; L46-L50 HydrophobicContact CD1-CD1 4.47Å; L46-L50 HydrophobicContact CD1-CG 4.42Å; L46-L50 HydrophobicContact CG-CD1 4.24Å; L46-L50 WeakPolarHBondContact O-CG 3.47Å; L46-L50 PolarHBondContact O-N 3.03Å; L47-L50 PolarHBondContact O-N 3.25Å; L50-I52 VanDerWaalsContact C-N 3.34Å; L50-L53 CarbonylContact O-C 3.42Å; L50-L53 PolarHBondContact O-N 3.43Å; L50-N54 WeakPolarHBondContact O-CB 3.47Å; L50-N54 PolarHBondContact O-N 2.9Å; L50-V71 HydrophobicContact CD2-CG2 4.39Å; L50-I91 HydrophobicContact CD1-CD1 4.16Å; L50-I91 HydrophobicContact CD1-CG1 4.18Å; L50-F95 HydrophobicContact CB-CE2 4.03Å; L50-F95 HydrophobicContact CB-CZ 3.86Å; L50-F95 HydrophobicContact CD1-CE2 4.34Å
51E75.5Confident64.1Low26 Ų2636.8 Ų36.812%0.12122%0.218CC..Hα-helixtrans-66.4-35.9177.8-166.5168.7178.600112.6L47 A48 K49 F95 R177 R224 L228L47-E51 WeakPolarHBondContact O-CB 3.44Å; L47-E51 PolarHBondContact O-N 3.2Å; A48-E51 PolarHBondContact O-N 3.42Å; K49-E51 VanDerWaalsContact C-N 3.31Å; K49-E51 PolarHBondContact O-N 3.5Å; E51-F95 HydrophobicContact CB-CE1 4.12Å; E51-F95 HydrophobicContact CB-CZ 4.19Å; E51-F95 HydrophobicContact CG-CE1 4.43Å; E51-R177 IonicContact OE2-CZ 2.89Å; E51-R177 IonicContact OE2-NH1 3.57Å; E51-R177 PolarHBondContact OE2-NH1 3.1Å; E51-R224 PolarHBondContact O-NH2 3.26Å; E51-L228 HydrophobicContact CG-CD1 4.35Å
52I73.2Confident62.4Low33 Ų3339.7 Ų39.717%0.16922%0.224CC..Hα-helixtrans-66-41.7172.2-65.2159.6000110.8A48 K49 L50 N54 A225 L228 Q229A48-I52 WeakPolarHBondContact O-CD1 3.31Å; A48-I52 VanDerWaalsContact O-CG1 3.28Å; A48-I52 WeakPolarHBondContact O-CG1 3.38Å; A48-I52 PolarHBondContact O-N 3.39Å; A48-I52 VanDerWaalsContact O-N 3.13Å; K49-I52 WeakPolarHBondContact O-CB 3.38Å; K49-I52 PolarHBondContact O-N 3.02Å; L50-I52 VanDerWaalsContact C-N 3.34Å; I52-N54 VanDerWaalsContact C-N 3.31Å; I52-N54 PolarHBondContact O-N 2.91Å; I52-A225 HydrophobicContact CG2-CB 4.06Å; I52-L228 HydrophobicContact CB-CD1 4.39Å; I52-L228 HydrophobicContact CD1-CB 4.48Å; I52-L228 HydrophobicContact CG1-CB 3.69Å; I52-L228 HydrophobicContact CG1-CD1 3.86Å; I52-L228 HydrophobicContact CG1-CG 4.46Å; I52-Q229 HydrophobicContact CD1-CB 3.84Å; I52-Q229 HydrophobicContact CD1-CG 4.44Å
53L72.3Confident60.8Low17 Ų1740 Ų409%0.08922%0.222CC..Hα-helixtrans-80.7-6.2-176.5-63.9173.9000113.8I22 Y24 K49 L50 P55I22-L53 HydrophobicContact CD1-CD1 4.09Å; Y24-L53 HydrophobicContact CD1-CD1 4.43Å; Y24-L53 HydrophobicContact CD1-CD2 3.57Å; Y24-L53 HydrophobicContact CD1-CG 4.46Å; Y24-L53 HydrophobicContact CD2-CB 3.99Å; Y24-L53 HydrophobicContact CD2-CD1 4.03Å; Y24-L53 HydrophobicContact CD2-CD2 4.21Å; Y24-L53 HydrophobicContact CD2-CG 4.29Å; Y24-L53 HydrophobicContact CE1-CD2 3.7Å; Y24-L53 HydrophobicContact CE2-CB 3.9Å; Y24-L53 HydrophobicContact CE2-CD2 4.32Å; Y24-L53 HydrophobicContact CG-CB 4.41Å; Y24-L53 HydrophobicContact CG-CD1 3.83Å; Y24-L53 HydrophobicContact CG-CD2 3.81Å; Y24-L53 HydrophobicContact CG-CG 4.22Å; Y24-L53 PolarHBondContact OH-O 3.1Å; K49-L53 HydrophobicContact CG-CD1 4.26Å; K49-L53 WeakPolarHBondContact O-CG 3.35Å; K49-L53 PolarHBondContact O-N 3.01Å; L50-L53 CarbonylContact O-C 3.42Å; L50-L53 PolarHBondContact O-N 3.43Å; L53-P55 WeakPolarHBondContact O-CD 3.47Å
54N67.2Low58.6Low17 Ų1746.6 Ų46.69%0.09125%0.254CS..  trans-88.5112.1-178.8-161.3-15.2000112.1L50 I52 A56 N69 R224L50-N54 WeakPolarHBondContact O-CB 3.47Å; L50-N54 PolarHBondContact O-N 2.9Å; I52-N54 VanDerWaalsContact C-N 3.31Å; I52-N54 PolarHBondContact O-N 2.91Å; N54-A56 VanDerWaalsContact C-N 3.32Å; N54-A56 WeakPolarHBondContact OD1-CB 3.24Å; N54-A56 PolarHBondContact OD1-N 2.64Å; N54-N69 VanDerWaalsContact CA-ND2 3.3Å; N54-N69 WeakPolarHBondContact CA-ND2 3.4Å; N54-N69 VanDerWaalsContact CB-ND2 3.34Å; N54-N69 WeakPolarHBondContact CB-ND2 3.41Å; N54-N69 VanDerWaalsContact OD1-CG 3.28Å; N54-N69 PolarHBondContact OD1-ND2 3.31Å; N54-N69 VanDerWaalsContact OD1-ND2 3.1Å; N54-R224 PolarHBondContact O-NE 3.27Å; N54-R224 PolarHBondContact O-NH2 3.42Å
55P53.4Low57.1Low11 Ų1147.3 Ų47.37%0.07125%0.254CS..  trans-80.8-8.5-179.916.3-4.5000114S5 L53 E57 V58 D67 N69S5-P55 VanDerWaalsContact OG-CG 3.3Å; S5-P55 WeakPolarHBondContact OG-CG 3.41Å; L53-P55 WeakPolarHBondContact O-CD 3.47Å; P55-E57 PolarHBondContact O-N 2.9Å; P55-V58 PolarHBondContact O-N 3.18Å; P55-V58 VanDerWaalsContact O-N 3.13Å; P55-D67 HydrophobicContact CB-CB 4.13Å; P55-D67 HydrophobicContact CG-CB 3.8Å; P55-N69 WeakPolarHBondContact CD-OD1 3.38Å
56A48.2Very low55.5Low19 Ų1950.1 Ų50.116%0.15727%0.267CS..THydrogen-bonded Turntrans-56.5-2.1-16400000117.4N54 D67N54-A56 VanDerWaalsContact C-N 3.32Å; N54-A56 WeakPolarHBondContact OD1-CB 3.24Å; N54-A56 PolarHBondContact OD1-N 2.64Å; A56-D67 WeakPolarHBondContact CB-O 3.36Å
57E49.5Very low54.1Low62 Ų6250.6 Ų50.629%0.2927%0.27SS..THydrogen-bonded Turntrans-130.716.7-177.3-81.2177.416500114.7P55 A59 I194 T195 R224P55-E57 PolarHBondContact O-N 2.9Å; E57-A59 PolarHBondContact O-N 3.43Å; E57-I194 HydrophobicContact CB-CG2 4.48Å; E57-I194 WeakPolarHBondContact OE2-CG2 3.39Å; E57-T195 HydrophobicContact CG-CG2 4.32Å; E57-T195 WeakPolarHBondContact OE1-CG2 3.35Å; E57-T195 WeakPolarHBondContact OE2-CG2 3.38Å; E57-R224 IonicContact OE2-NH1 2.63Å
58V44.2Very low52.9Low26 Ų2656.8 Ų56.816%0.15829%0.293CS..  trans-8059.7169.5-1680000109.8P55 F208 A220P55-V58 PolarHBondContact O-N 3.18Å; P55-V58 VanDerWaalsContact O-N 3.13Å; V58-F208 HydrophobicContact CG1-CZ 4.16Å; V58-A220 HydrophobicContact CG1-CB 3.92Å
59A35Very low52.8Low37 Ų3755.8 Ų55.831%0.30628%0.284SS..  trans-99.590.7171.300000109E57E57-A59 PolarHBondContact O-N 3.43Å
60S34.6Very low53.1Low49 Ų4955 Ų5534%0.34328%0.28SS..BIsolated β-bridgetrans-77.2151.1149.766.60000107.8K62 I63S60-K62 PolarHBondContact O-N 2.76Å; S60-I63 PolarHBondContact O-N 2.92Å
61S35.5Very low53.4Low102 Ų10254.9 Ų54.971%0.71328%0.28SS*.THydrogen-bonded Turntrans-55.85.4-175.744.60000116.5E204S61-E204 PolarHBondContact OG-OE1 2.87Å
62K37.2Very low54.1Low197 Ų19753.6 Ų53.686%0.85727%0.274SS*.THydrogen-bonded Turntrans-117.2-13.8173.4-77.4178.9178.3171.90115.3S60S60-K62 PolarHBondContact O-N 2.76Å
63I35.9Very low54.9Low66 Ų6652 Ų5234%0.33827%0.266SS..BIsolated β-bridgetrans-141.490.4-175-55.9166.8000109S60 I65 Y217S60-I63 PolarHBondContact O-N 2.92Å; I63-I65 HydrophobicContact CG2-CD1 3.99Å; I63-I65 HydrophobicContact CG2-CG1 3.8Å; I63-I65 PolarHBondContact O-N 3.42Å; I63-Y217 HydrophobicContact CD1-CE1 4.16Å; I63-Y217 HydrophobicContact CG2-CE1 3.75Å
64Q31.8Very low55.6Low153 Ų15351.8 Ų51.872%0.71527%0.265SS*.  trans-82.9106.6167.8-78.4-179.8-17.300108.3
65I37.8Very low56.3Low48 Ų4854 Ų5425%0.24628%0.277CS..  trans-117.2102.4160.9-48.9177000106.5I63 D67 Y217I63-I65 HydrophobicContact CG2-CD1 3.99Å; I63-I65 HydrophobicContact CG2-CG1 3.8Å; I63-I65 PolarHBondContact O-N 3.42Å; I65-D67 HydrophobicContact CG2-CB 4.48Å; I65-D67 WeakPolarHBondContact CG2-OD1 3.35Å; I65-D67 WeakPolarHBondContact CG2-OD2 3.25Å; I65-D67 PolarHBondContact O-N 2.71Å; I65-Y217 HydrophobicContact CD1-CE1 3.86Å
66F41Very low57.5Low135 Ų13556 Ų5659%0.59229%0.291SS*.  trans-75.485165.6-75-85.1000107.1W68F66-W68 PolarHBondContact O-N 2.78Å
67D49.3Very low58.4Low11 Ų1155.1 Ų55.16%0.05928%0.284CS..  trans-78.7113.1176.4-77.6-37.3000109.7Y4 P55 A56 I65 N69Y4-D67 WeakPolarHBondContact CD2-OD1 3.43Å; P55-D67 HydrophobicContact CB-CB 4.13Å; P55-D67 HydrophobicContact CG-CB 3.8Å; A56-D67 WeakPolarHBondContact CB-O 3.36Å; I65-D67 HydrophobicContact CG2-CB 4.48Å; I65-D67 WeakPolarHBondContact CG2-OD1 3.35Å; I65-D67 WeakPolarHBondContact CG2-OD2 3.25Å; I65-D67 PolarHBondContact O-N 2.71Å; D67-N69 PolarHBondContact O-N 2.92Å
68W55.8Low59.4Low133 Ų13355.1 Ų55.150%0.50429%0.286SS..  trans-71.7126.1172-74.252.1000108.4C3 F66C3-W68 WeakPolarHBondContact CB-O 3.41Å; F66-W68 PolarHBondContact O-N 2.78Å
69N73.1Confident60.2Low6 Ų656 Ų563%0.03230%0.3CS..EExtended strand (participates in β ladder)trans-91.5135.7174.5-99.514.9000109.9S5 N54 P55 D67 T98 E99S5-N69 WeakPolarHBondContact CB-OD1 3.31Å; N54-N69 VanDerWaalsContact CA-ND2 3.3Å; N54-N69 WeakPolarHBondContact CA-ND2 3.4Å; N54-N69 VanDerWaalsContact CB-ND2 3.34Å; N54-N69 WeakPolarHBondContact CB-ND2 3.41Å; N54-N69 VanDerWaalsContact OD1-CG 3.28Å; N54-N69 PolarHBondContact OD1-ND2 3.31Å; N54-N69 VanDerWaalsContact OD1-ND2 3.1Å; P55-N69 WeakPolarHBondContact CD-OD1 3.38Å; D67-N69 PolarHBondContact O-N 2.92Å; N69-T98 HydrophobicContact CB-CG2 4.26Å; N69-T98 CarbonylContact O-C 3.55Å; N69-T98 WeakPolarHBondContact O-CA 3.27Å; N69-E99 PolarHBondContact O-N 2.89Å
70C83.8Confident61.3Low1 Ų161 Ų611%0.00732%0.322CS..EExtended strand (participates in β ladder)trans-113.5129.3172.9179.30000110C3 S5 I6 S7 E99 T101C3-C70 HydrophobicContact CB-CB 3.82Å; S5-C70 PolarHBondContact O-N 3.4Å; I6-C70 WeakPolarHBondContact CA-O 3.44Å; I6-C70 HydrophobicContact CG1-CB 4.22Å; I6-C70 HydrophobicContact CG2-CB 4.31Å; S7-C70 PolarHBondContact N-O 3.3Å; C70-E99 CarbonylContact C-O 3.59Å; C70-E99 WeakPolarHBondContact CA-O 3.42Å; C70-T101 PolarHBondContact SG-OG1 3.1Å; C70-T101 VanDerWaalsContact SG-OG1 3.35Å
71V87.6Confident62.6Low3 Ų366.6 Ų66.62%0.01835%0.348CS..EExtended strand (participates in β ladder)trans-114118.3174.6176.90000109.5S7 I9 L50 L73 I91 T98 E99 I100 T101S7-V71 CarbonylContact O-C 3.59Å; S7-V71 WeakPolarHBondContact O-CA 3.48Å; I9-V71 HydrophobicContact CD1-CG1 3.54Å; I9-V71 HydrophobicContact CG1-CG1 4.21Å; L50-V71 HydrophobicContact CD2-CG2 4.39Å; V71-L73 HydrophobicContact CG1-CG 4.2Å; V71-I91 HydrophobicContact CG1-CD1 4.19Å; V71-T98 HydrophobicContact CB-CG2 4.16Å; V71-T98 HydrophobicContact CG2-CG2 3.5Å; V71-T98 VanDerWaalsContact CG2-CG2 3.5Å; V71-E99 PolarHBondContact N-O 3.45Å; V71-I100 WeakPolarHBondContact O-CA 3.48Å; V71-T101 PolarHBondContact O-N 3.03Å
72L90.1Very high63.8Low0 Ų062.4 Ų62.40%032%0.321CS..EExtended strand (participates in β ladder)trans-89.9124178.2-51.4179000109.9I6 S7 A8 I9 T101 V103 L145 Y148I6-L72 HydrophobicContact CG2-CD1 3.97Å; I6-L72 HydrophobicContact CG2-CG 4.05Å; S7-L72 PolarHBondContact O-N 3.2Å; A8-L72 HydrophobicContact CB-CB 4.04Å; A8-L72 HydrophobicContact CB-CD1 4.3Å; I9-L72 PolarHBondContact N-O 3.07Å; L72-T101 WeakPolarHBondContact CA-O 3.45Å; L72-T101 HydrophobicContact CD2-CG2 4.36Å; L72-V103 HydrophobicContact CB-CG2 3.96Å; L72-V103 HydrophobicContact CD1-CG2 4.38Å; L72-V103 HydrophobicContact CD2-CG2 3.93Å; L72-V103 HydrophobicContact CG-CG2 4.31Å; L72-L145 HydrophobicContact CD1-CD1 4.04Å; L72-Y148 HydrophobicContact CD1-CD1 3.9Å; L72-Y148 HydrophobicContact CD1-CD2 4.25Å; L72-Y148 HydrophobicContact CD1-CG 3.65Å; L72-Y148 HydrophobicContact CD2-CD1 4.1Å; L72-Y148 HydrophobicContact CD2-CD2 3.79Å; L72-Y148 HydrophobicContact CD2-CE1 4.16Å; L72-Y148 HydrophobicContact CD2-CE2 3.84Å; L72-Y148 HydrophobicContact CD2-CG 3.92Å; L72-Y148 HydrophobicContact CG-CG 4.46Å
73L89.9Confident65.2Low0 Ų059.7 Ų59.70%031%0.309CS..EExtended strand (participates in β ladder)trans-126.5149.8176.8-70.5171.6000111I9 V71 A77 M84 L87 C88 I100 T101 S102 V103I9-L73 HydrophobicContact CB-CD2 3.82Å; I9-L73 HydrophobicContact CG2-CD2 4.36Å; V71-L73 HydrophobicContact CG1-CG 4.2Å; L73-A77 HydrophobicContact CB-CB 4.17Å; L73-M84 HydrophobicContact CD2-CE 4.08Å; L73-L87 HydrophobicContact CD2-CD2 4.35Å; L73-C88 WeakPolarHBondContact CD1-SG 3.49Å; L73-I100 HydrophobicContact CD1-CG2 3.83Å; L73-I100 HydrophobicContact CG-CG2 4.49Å; L73-T101 PolarHBondContact N-O 2.93Å; L73-S102 WeakPolarHBondContact O-CA 3.48Å; L73-V103 PolarHBondContact O-N 2.76Å
74P85.9Confident67Low12 Ų1257.1 Ų57.18%0.07830%0.296CS..EExtended strand (participates in β ladder)trans-58.5141.4174.6-18.528.3000111.1S76 A77 V103 R105 F108P74-S76 PolarHBondContact O-N 2.72Å; P74-A77 WeakPolarHBondContact O-CA 3.34Å; P74-A77 WeakPolarHBondContact O-CB 3.47Å; P74-A77 PolarHBondContact O-N 2.98Å; P74-V103 CarbonylContact C-O 3.56Å; P74-V103 VanDerWaalsContact CA-O 3.29Å; P74-V103 WeakPolarHBondContact CA-O 3.47Å; P74-R105 HydrophobicContact CB-CB 4.5Å; P74-F108 HydrophobicContact CB-CD2 4.12Å; P74-F108 HydrophobicContact CB-CE2 4Å; P74-F108 HydrophobicContact CG-CD1 4.37Å; P74-F108 HydrophobicContact CG-CD2 3.93Å; P74-F108 HydrophobicContact CG-CE1 4.21Å; P74-F108 HydrophobicContact CG-CE2 3.76Å; P74-F108 HydrophobicContact CG-CG 4.23Å; P74-F108 HydrophobicContact CG-CZ 3.9Å
75D83.4Confident69.1Low63 Ų6353.3 Ų53.334%0.33728%0.278SS..G310 helixtrans-53.4-32.7177.8-62.9-23.4000113A77 L78 S102 V103 N104D75-A77 PolarHBondContact O-N 2.77Å; D75-L78 PolarHBondContact O-N 3.02Å; D75-S102 WeakPolarHBondContact OD1-CB 3.47Å; D75-S102 PolarHBondContact OD1-OG 3.16Å; D75-V103 PolarHBondContact N-O 3.21Å; D75-V103 PolarHBondContact OD1-N 2.7Å; D75-N104 VanDerWaalsContact OD2-CA 3.22Å; D75-N104 WeakPolarHBondContact OD2-CA 3.16Å
76S77Confident71.1Confident53 Ų5353.7 Ų53.737%0.37129%0.288SS..G310 helixtrans-70.6-9176.657.20000114.9P74P74-S76 PolarHBondContact O-N 2.72Å
77A68.2Low73Confident1 Ų147.2 Ų47.21%0.00826%0.26CS..G310 helixtrans-78.8-26.7174.500000112L73 P74 D75 M84 H85L73-A77 HydrophobicContact CB-CB 4.17Å; P74-A77 WeakPolarHBondContact O-CA 3.34Å; P74-A77 WeakPolarHBondContact O-CB 3.47Å; P74-A77 PolarHBondContact O-N 2.98Å; D75-A77 PolarHBondContact O-N 2.77Å; A77-M84 HydrophobicContact CB-CB 3.8Å; A77-M84 HydrophobicContact CB-CG 4.08Å; A77-M84 HydrophobicContact CB-SD 3.83Å; A77-H85 PolarHBondContact O-N 3.24Å
78L69.9Low74.6Confident61 Ų6147 Ų4732%0.31926%0.259SS..  trans-95.3151.7-170-71.7149.2000112.2D75 I100D75-L78 PolarHBondContact O-N 3.02Å; L78-I100 HydrophobicContact CD2-CG2 4.13Å
79G61.7Low75.8Confident45 Ų4542.4 Ų42.446%0.46425%0.25SC..SBendtrans99.7161.6-173.600000113.3D81 G82 H85G79-D81 VanDerWaalsContact C-N 3.25Å; G79-D81 PolarHBondContact O-N 2.93Å; G79-G82 WeakPolarHBondContact O-CA 3.24Å; G79-G82 PolarHBondContact O-N 2.98Å; G79-H85 PolarHBondContact O-ND1 3.43Å
80D57.6Low76.1Confident141 Ų14143.5 Ų43.575%0.75426%0.255SS*.THydrogen-bonded Turntrans-62.6-29.4-174.4-68.2-18.3000113.4H85D80-H85 IonicContact OD1-CE1 2.63Å; D80-H85 PolarHBondContact OD1-CE1 2.69Å
81D61.2Low76Confident167 Ų16743.5 Ų43.589%0.89326%0.255SS*.THydrogen-bonded Turntrans-957.1174-65.2-35.8000113G79G79-D81 VanDerWaalsContact C-N 3.25Å; G79-D81 PolarHBondContact O-N 2.93Å
82G62Low75.7Confident14 Ų1449 Ų4914%0.14428%0.28CS..  trans-63.3134.4-178.200000111.3G79 M84 H85G79-G82 WeakPolarHBondContact O-CA 3.24Å; G79-G82 PolarHBondContact O-N 2.98Å; G82-M84 PolarHBondContact O-N 3.47Å; G82-H85 VanDerWaalsContact O-CB 3.26Å; G82-H85 WeakPolarHBondContact O-CB 3.35Å; G82-H85 PolarHBondContact O-N 3.22Å
83K66.9Low75.1Confident141 Ų14153.7 Ų53.761%0.61330%0.302SS*.THydrogen-bonded Turntrans-60.6-22-176-67.5-170.9-179.7-175.50113.6L13L13-K83 HydrophobicContact CD1-CD 4.35Å; L13-K83 HydrophobicContact CD2-CD 3.58Å
84M73.7Confident74Confident12 Ų1254.8 Ų54.86%0.05931%0.307CS..THydrogen-bonded Turntrans-116.119.6178.5-52.5174.267.300111.6I9 E11 L73 A77 G82 A86 L87 C88I9-M84 HydrophobicContact CG2-CE 4.44Å; E11-M84 HydrophobicContact CB-CE 3.58Å; E11-M84 HydrophobicContact CB-CG 4.39Å; E11-M84 HydrophobicContact CB-SD 3.92Å; E11-M84 WeakPolarHBondContact OE2-CG 3.4Å; L73-M84 HydrophobicContact CD2-CE 4.08Å; A77-M84 HydrophobicContact CB-CB 3.8Å; A77-M84 HydrophobicContact CB-CG 4.08Å; A77-M84 HydrophobicContact CB-SD 3.83Å; G82-M84 PolarHBondContact O-N 3.47Å; M84-A86 PolarHBondContact O-N 2.83Å; M84-L87 HydrophobicContact CB-CB 4.33Å; M84-L87 HydrophobicContact CE-CD2 3.47Å; M84-L87 VanDerWaalsContact CE-CD2 3.47Å; M84-L87 WeakPolarHBondContact O-CA 3.2Å; M84-L87 WeakPolarHBondContact O-CB 3.48Å; M84-L87 PolarHBondContact O-N 3.35Å; M84-C88 PolarHBondContact O-N 2.97Å
85H76.3Confident73.5Confident72 Ų7255.2 Ų55.233%0.33331%0.308SS..Hα-helixtrans-54.2-40.9-179.7-179.484.7000112.2A77 G79 D80 G82 L87 C88 A89A77-H85 PolarHBondContact O-N 3.24Å; G79-H85 PolarHBondContact O-ND1 3.43Å; D80-H85 IonicContact OD1-CE1 2.63Å; D80-H85 PolarHBondContact OD1-CE1 2.69Å; G82-H85 VanDerWaalsContact O-CB 3.26Å; G82-H85 WeakPolarHBondContact O-CB 3.35Å; G82-H85 PolarHBondContact O-N 3.22Å; H85-L87 VanDerWaalsContact C-N 3.27Å; H85-L87 PolarHBondContact O-N 3.33Å; H85-C88 PolarHBondContact O-N 3.2Å; H85-A89 WeakPolarHBondContact O-CB 3.37Å; H85-A89 PolarHBondContact O-N 3.43Å
86A78Confident72.8Confident56 Ų5658.1 Ų58.146%0.46333%0.327SS..Hα-helixtrans-58.5-38.7175.300000112.4M84 M90M84-A86 PolarHBondContact O-N 2.83Å; A86-M90 HydrophobicContact CB-CE 4.17Å; A86-M90 WeakPolarHBondContact O-CB 3.38Å; A86-M90 WeakPolarHBondContact O-CE 3.41Å; A86-M90 WeakPolarHBondContact O-CG 3.29Å; A86-M90 PolarHBondContact O-N 2.84Å
87L82.6Confident72.4Confident0 Ų060.6 Ų60.60%033%0.333CS..Hα-helixtrans-68.8-45.8175.7176.164.6000111.3I9 Y43 L46 L73 M84 H85 A89 M90 I91I9-L87 HydrophobicContact CG2-CD2 4.29Å; Y43-L87 HydrophobicContact CD1-CD1 4.02Å; Y43-L87 HydrophobicContact CD2-CB 4.36Å; Y43-L87 HydrophobicContact CD2-CD1 4.17Å; Y43-L87 HydrophobicContact CE1-CD1 4.49Å; Y43-L87 HydrophobicContact CE1-CD2 4.49Å; Y43-L87 HydrophobicContact CE2-CB 4.06Å; Y43-L87 HydrophobicContact CG-CD1 3.81Å; L46-L87 HydrophobicContact CD2-CD1 3.46Å; L46-L87 VanDerWaalsContact CD2-CD1 3.46Å; L46-L87 HydrophobicContact CD2-CD2 3.78Å; L46-L87 HydrophobicContact CD2-CG 4.27Å; L73-L87 HydrophobicContact CD2-CD2 4.35Å; M84-L87 HydrophobicContact CB-CB 4.33Å; M84-L87 HydrophobicContact CE-CD2 3.47Å; M84-L87 VanDerWaalsContact CE-CD2 3.47Å; M84-L87 WeakPolarHBondContact O-CA 3.2Å; M84-L87 WeakPolarHBondContact O-CB 3.48Å; M84-L87 PolarHBondContact O-N 3.35Å; H85-L87 VanDerWaalsContact C-N 3.27Å; H85-L87 PolarHBondContact O-N 3.33Å; L87-A89 PolarHBondContact O-N 3.2Å; L87-M90 PolarHBondContact O-N 3.3Å; L87-I91 HydrophobicContact CD1-CD1 3.96Å; L87-I91 HydrophobicContact CD1-CG1 4.1Å; L87-I91 HydrophobicContact CD2-CD1 4.39Å; L87-I91 HydrophobicContact CG-CD1 3.86Å; L87-I91 HydrophobicContact CG-CG1 4.38Å; L87-I91 WeakPolarHBondContact O-CG1 3.36Å; L87-I91 PolarHBondContact O-N 2.71Å
88C82.3Confident72.8Confident5 Ų561.5 Ų61.53%0.03434%0.338CS..Hα-helixtrans-56.7-50.4177.4-650000111.1L73 M84 H85 M90 I91 E92 I100L73-C88 WeakPolarHBondContact CD1-SG 3.49Å; M84-C88 PolarHBondContact O-N 2.97Å; H85-C88 PolarHBondContact O-N 3.2Å; C88-M90 VanDerWaalsContact C-N 3.28Å; C88-M90 PolarHBondContact O-N 3.12Å; C88-I91 PolarHBondContact O-N 3.11Å; C88-E92 WeakPolarHBondContact O-CG 3.39Å; C88-E92 PolarHBondContact O-N 3.39Å; C88-I100 HydrophobicContact CB-CD1 4.41Å
89A81.4Confident73.5Confident38 Ų3863 Ų6331%0.31434%0.344SS..Hα-helixtrans-58.1-41.2177.500000111.6H85 L87 E93H85-A89 WeakPolarHBondContact O-CB 3.37Å; H85-A89 PolarHBondContact O-N 3.43Å; L87-A89 PolarHBondContact O-N 3.2Å; A89-E93 VanDerWaalsContact O-CB 3.24Å; A89-E93 WeakPolarHBondContact O-CB 3.45Å; A89-E93 PolarHBondContact O-N 3.41Å
90M79Confident74.6Confident29 Ų2962.5 Ų62.514%0.14333%0.33CS..Hα-helixtrans-64.6-41.3174.1-80.9-175.5-87.500112.5Y43 L47 A86 L87 C88 H94Y43-M90 HydrophobicContact CD2-CE 3.38Å; Y43-M90 HydrophobicContact CD2-SD 4.45Å; Y43-M90 HydrophobicContact CE2-CE 3.9Å; Y43-M90 HydrophobicContact CG-CE 4.46Å; L47-M90 HydrophobicContact CD1-CB 4.41Å; L47-M90 HydrophobicContact CD1-SD 4.23Å; A86-M90 HydrophobicContact CB-CE 4.17Å; A86-M90 WeakPolarHBondContact O-CB 3.38Å; A86-M90 WeakPolarHBondContact O-CE 3.41Å; A86-M90 WeakPolarHBondContact O-CG 3.29Å; A86-M90 PolarHBondContact O-N 2.84Å; L87-M90 PolarHBondContact O-N 3.3Å; C88-M90 VanDerWaalsContact C-N 3.28Å; C88-M90 PolarHBondContact O-N 3.12Å; M90-H94 WeakPolarHBondContact O-CB 3.42Å; M90-H94 PolarHBondContact O-N 2.87Å; M90-H94 VanDerWaalsContact O-N 3.11Å; M90-H94 PolarHBondContact O-ND1 3.31Å
91I81.1Confident76.1Confident1 Ų157.2 Ų57.21%0.00530%0.303CS..Hα-helixtrans-65.6-46.4178.8-67.9170.2000110.6I9 L47 L50 V71 L87 C88 E93 H94 F95 T98 I100I9-I91 HydrophobicContact CD1-CD1 4.21Å; L47-I91 HydrophobicContact CD2-CG1 4.37Å; L50-I91 HydrophobicContact CD1-CD1 4.16Å; L50-I91 HydrophobicContact CD1-CG1 4.18Å; V71-I91 HydrophobicContact CG1-CD1 4.19Å; L87-I91 HydrophobicContact CD1-CD1 3.96Å; L87-I91 HydrophobicContact CD1-CG1 4.1Å; L87-I91 HydrophobicContact CD2-CD1 4.39Å; L87-I91 HydrophobicContact CG-CD1 3.86Å; L87-I91 HydrophobicContact CG-CG1 4.38Å; L87-I91 WeakPolarHBondContact O-CG1 3.36Å; L87-I91 PolarHBondContact O-N 2.71Å; C88-I91 PolarHBondContact O-N 3.11Å; I91-E93 VanDerWaalsContact C-N 3.34Å; I91-E93 PolarHBondContact O-N 2.65Å; I91-H94 PolarHBondContact O-N 2.79Å; I91-F95 HydrophobicContact CG2-CD2 4.2Å; I91-F95 PolarHBondContact O-N 3.25Å; I91-T98 HydrophobicContact CG2-CG2 4.13Å; I91-I100 HydrophobicContact CB-CD1 4.02Å; I91-I100 HydrophobicContact CG2-CD1 3.84Å; I91-I100 HydrophobicContact CG2-CG1 4.1Å
92E82.3Confident77.3Confident118 Ų11852.2 Ų52.255%0.55128%0.281SS*.Hα-helixtrans-62.3-39.7179.3-69.4175.5171.900112.3C88 I100C88-E92 WeakPolarHBondContact O-CG 3.39Å; C88-E92 PolarHBondContact O-N 3.39Å; E92-I100 HydrophobicContact CG-CD1 3.6Å
93E76.1Confident78.6Confident98 Ų9852.2 Ų52.246%0.45828%0.279SS..Hα-helixtrans-67.5-41178.2-172.2-175.1159.500112A89 I91A89-E93 VanDerWaalsContact O-CB 3.24Å; A89-E93 WeakPolarHBondContact O-CB 3.45Å; A89-E93 PolarHBondContact O-N 3.41Å; I91-E93 VanDerWaalsContact C-N 3.34Å; I91-E93 PolarHBondContact O-N 2.65Å
94H68.5Low79.6Confident23 Ų2349.4 Ų49.411%0.10627%0.27CS..Hα-helixtrans-90.4-25.4-171.3-65.9100.1000114.1M90 I91 R177M90-H94 WeakPolarHBondContact O-CB 3.42Å; M90-H94 PolarHBondContact O-N 2.87Å; M90-H94 VanDerWaalsContact O-N 3.11Å; M90-H94 PolarHBondContact O-ND1 3.31Å; I91-H94 PolarHBondContact O-N 2.79Å; H94-R177 PolarHBondContact CD2-NH2 2.72Å; H94-R177 PolarHBondContact NE2-NH2 3.45Å
95F74.5Confident80.2Confident21 Ų2155.1 Ų55.19%0.09229%0.291CS..  trans-126.582.6-175-54-77.2000111.9L47 L50 E51 I91 H97 T98L47-F95 HydrophobicContact CD2-CE2 3.95Å; L50-F95 HydrophobicContact CB-CE2 4.03Å; L50-F95 HydrophobicContact CB-CZ 3.86Å; L50-F95 HydrophobicContact CD1-CE2 4.34Å; E51-F95 HydrophobicContact CB-CE1 4.12Å; E51-F95 HydrophobicContact CB-CZ 4.19Å; E51-F95 HydrophobicContact CG-CE1 4.43Å; I91-F95 HydrophobicContact CG2-CD2 4.2Å; I91-F95 PolarHBondContact O-N 3.25Å; F95-H97 PolarHBondContact O-N 3.22Å; F95-T98 WeakPolarHBondContact CB-OG1 3.42Å; F95-T98 WeakPolarHBondContact O-CB 3.45Å; F95-T98 PolarHBondContact O-N 2.81Å
96V67.7Low80.9Confident124 Ų12460 Ų6075%0.75231%0.311SS*.THydrogen-bonded Turntrans-55.2-27.8-175.5-173.10000113.9
97H70.3Confident81.5Confident105 Ų10558.6 Ų58.649%0.48630%0.298SS..THydrogen-bonded Turntrans-103.915.6-179-57.6-49.4000114F95F95-H97 PolarHBondContact O-N 3.22Å
98T76.7Confident81.9Confident20 Ų2060 Ų6012%0.12330%0.304CS..EExtended strand (participates in β ladder)trans-97.8123.6177.5-61.10000110.7N69 V71 I91 F95N69-T98 HydrophobicContact CB-CG2 4.26Å; N69-T98 CarbonylContact O-C 3.55Å; N69-T98 WeakPolarHBondContact O-CA 3.27Å; V71-T98 HydrophobicContact CB-CG2 4.16Å; V71-T98 HydrophobicContact CG2-CG2 3.5Å; V71-T98 VanDerWaalsContact CG2-CG2 3.5Å; I91-T98 HydrophobicContact CG2-CG2 4.13Å; F95-T98 WeakPolarHBondContact CB-OG1 3.42Å; F95-T98 WeakPolarHBondContact O-CB 3.45Å; F95-T98 PolarHBondContact O-N 2.81Å
99E83.2Confident82.4Confident94 Ų9462.8 Ų62.844%0.43932%0.319SS..EExtended strand (participates in β ladder)trans-85.5122.2172.3-173.3178171.600109.4N69 C70 V71N69-E99 PolarHBondContact O-N 2.89Å; C70-E99 CarbonylContact C-O 3.59Å; C70-E99 WeakPolarHBondContact CA-O 3.42Å; V71-E99 PolarHBondContact N-O 3.45Å
100I85.7Confident82.9Confident34 Ų3465.3 Ų65.317%0.17432%0.324CS..EExtended strand (participates in β ladder)trans-90.3121.9171-59.9-177.2000108.5V71 L73 L78 C88 I91 E92V71-I100 WeakPolarHBondContact O-CA 3.48Å; L73-I100 HydrophobicContact CD1-CG2 3.83Å; L73-I100 HydrophobicContact CG-CG2 4.49Å; L78-I100 HydrophobicContact CD2-CG2 4.13Å; C88-I100 HydrophobicContact CB-CD1 4.41Å; I91-I100 HydrophobicContact CB-CD1 4.02Å; I91-I100 HydrophobicContact CG2-CD1 3.84Å; I91-I100 HydrophobicContact CG2-CG1 4.1Å; E92-I100 HydrophobicContact CG-CD1 3.6Å
101T88Confident83.5Confident29 Ų2966.9 Ų66.918%0.17834%0.342CS..EExtended strand (participates in β ladder)trans-115.4131.8177.3-50.30000110.3C70 V71 L72 L73 Y148C70-T101 PolarHBondContact SG-OG1 3.1Å; C70-T101 VanDerWaalsContact SG-OG1 3.35Å; V71-T101 PolarHBondContact O-N 3.03Å; L72-T101 WeakPolarHBondContact CA-O 3.45Å; L72-T101 HydrophobicContact CD2-CG2 4.36Å; L73-T101 PolarHBondContact N-O 2.93Å; T101-Y148 HydrophobicContact CG2-CE2 4.01Å
102S87.7Confident84.1Confident63 Ų6370.7 Ų70.744%0.44136%0.361SS..EExtended strand (participates in β ladder)trans-79.9136.1175.595.10000110.4L73 D75L73-S102 WeakPolarHBondContact O-CA 3.48Å; D75-S102 WeakPolarHBondContact OD1-CB 3.47Å; D75-S102 PolarHBondContact OD1-OG 3.16Å
103V88.5Confident84.5Confident14 Ų1465 Ų659%0.08534%0.335CS..EExtended strand (participates in β ladder)trans-127140.6174.4-178.70000108.9L72 L73 P74 D75 R105 C107 F108 A144 Y148L72-V103 HydrophobicContact CB-CG2 3.96Å; L72-V103 HydrophobicContact CD1-CG2 4.38Å; L72-V103 HydrophobicContact CD2-CG2 3.93Å; L72-V103 HydrophobicContact CG-CG2 4.31Å; L73-V103 PolarHBondContact O-N 2.76Å; P74-V103 CarbonylContact C-O 3.56Å; P74-V103 VanDerWaalsContact CA-O 3.29Å; P74-V103 WeakPolarHBondContact CA-O 3.47Å; D75-V103 PolarHBondContact N-O 3.21Å; D75-V103 PolarHBondContact OD1-N 2.7Å; V103-R105 PolarHBondContact O-N 3.2Å; V103-C107 HydrophobicContact CG1-CB 3.79Å; V103-F108 HydrophobicContact CB-CE2 3.97Å; V103-F108 HydrophobicContact CG1-CE2 4.26Å; V103-A144 HydrophobicContact CG1-CB 4.49Å; V103-Y148 HydrophobicContact CG2-CD2 4.22Å
104N89Confident85.1Confident81 Ų8162.5 Ų62.543%0.43332%0.324SS..  trans-54.6130.7-179.3-164.1-70.3000111.2D75 K106 C107D75-N104 VanDerWaalsContact OD2-CA 3.22Å; D75-N104 WeakPolarHBondContact OD2-CA 3.16Å; N104-K106 PolarHBondContact O-N 2.83Å; N104-K106 WeakPolarHBondContact OD1-CB 3.48Å; N104-K106 WeakPolarHBondContact OD1-CG 3.1Å; N104-K106 PolarHBondContact OD1-N 3.48Å; N104-C107 VanDerWaalsContact O-CB 3.3Å; N104-C107 WeakPolarHBondContact O-CB 3.37Å; N104-C107 PolarHBondContact O-N 3.5Å
105R85.8Confident86.3Confident133 Ų13368.1 Ų68.150%0.50235%0.35SS..G310 helixtrans-53.8-28.7-179.4-175.3175.1179.8174.9-2.5113.2L13 P74 V103 C107 F108L13-R105 VanDerWaalsContact CD1-NH2 3.34Å; P74-R105 HydrophobicContact CB-CB 4.5Å; V103-R105 PolarHBondContact O-N 3.2Å; R105-C107 PolarHBondContact O-N 2.88Å; R105-F108 PolarHBondContact O-N 3.36Å; R105-F108 VanDerWaalsContact O-N 3.11Å
106K89.6Confident87.1Confident174 Ų17467.7 Ų67.776%0.75735%0.349SS*.G310 helixtrans-63-25.9176.6-67.3-179.5180-179.80113.4N104 F108N104-K106 PolarHBondContact O-N 2.83Å; N104-K106 WeakPolarHBondContact OD1-CB 3.48Å; N104-K106 WeakPolarHBondContact OD1-CG 3.1Å; N104-K106 PolarHBondContact OD1-N 3.48Å; K106-F108 VanDerWaalsContact C-N 3.26Å
107C90.8Very high88.1Confident27 Ų2762 Ų6218%0.18232%0.315CS..G310 helixtrans-72.7-21.1176.6-59.20000112V103 N104 R105 N109 A143 A144 D147V103-C107 HydrophobicContact CG1-CB 3.79Å; N104-C107 VanDerWaalsContact O-CB 3.3Å; N104-C107 WeakPolarHBondContact O-CB 3.37Å; N104-C107 PolarHBondContact O-N 3.5Å; R105-C107 PolarHBondContact O-N 2.88Å; C107-N109 PolarHBondContact O-N 2.99Å; C107-N109 VanDerWaalsContact O-N 3.11Å; C107-A143 CarbonylContact O-C 3.58Å; C107-A143 VanDerWaalsContact O-CB 3.24Å; C107-A143 WeakPolarHBondContact O-CB 3.47Å; C107-A144 HydrophobicContact CB-CB 4.35Å; C107-A144 PolarHBondContact O-N 3.45Å; C107-D147 PolarHBondContact SG-OD2 3.19Å; C107-D147 VanDerWaalsContact SG-OD2 3.32Å
108F92.1Very high89Confident29 Ų2960.3 Ų60.313%0.12731%0.309CS..  trans-84.878.9174.2-69.2-94.7000110.1A8 I9 A10 P74 V103 R105 K106 A140 A144A8-F108 HydrophobicContact CB-CE1 4.48Å; I9-F108 WeakPolarHBondContact O-CE1 3.5Å; A10-F108 HydrophobicContact CB-CD1 3.99Å; A10-F108 HydrophobicContact CB-CE1 4.37Å; P74-F108 HydrophobicContact CB-CD2 4.12Å; P74-F108 HydrophobicContact CB-CE2 4Å; P74-F108 HydrophobicContact CG-CD1 4.37Å; P74-F108 HydrophobicContact CG-CD2 3.93Å; P74-F108 HydrophobicContact CG-CE1 4.21Å; P74-F108 HydrophobicContact CG-CE2 3.76Å; P74-F108 HydrophobicContact CG-CG 4.23Å; P74-F108 HydrophobicContact CG-CZ 3.9Å; V103-F108 HydrophobicContact CB-CE2 3.97Å; V103-F108 HydrophobicContact CG1-CE2 4.26Å; R105-F108 PolarHBondContact O-N 3.36Å; R105-F108 VanDerWaalsContact O-N 3.11Å; K106-F108 VanDerWaalsContact C-N 3.26Å; F108-A140 WeakPolarHBondContact CA-O 3.41Å; F108-A140 HydrophobicContact CB-CB 4.26Å; F108-A144 HydrophobicContact CD1-CB 3.65Å; F108-A144 HydrophobicContact CD2-CB 3.81Å; F108-A144 HydrophobicContact CE1-CB 3.51Å; F108-A144 HydrophobicContact CE2-CB 3.67Å; F108-A144 HydrophobicContact CG-CB 3.81Å; F108-A144 HydrophobicContact CZ-CB 3.52Å
109N93.1Very high89.7Confident64 Ų6464.6 Ų64.634%0.34232%0.323SS..  trans-128.6120.9-177.3-175-49.2000110.8C107 A111 I112 G113 A143C107-N109 PolarHBondContact O-N 2.99Å; C107-N109 VanDerWaalsContact O-N 3.11Å; N109-A111 PolarHBondContact O-N 2.7Å; N109-A111 WeakPolarHBondContact OD1-CB 3.11Å; N109-A111 PolarHBondContact OD1-N 3.09Å; N109-I112 HydrophobicContact CB-CB 4.12Å; N109-I112 HydrophobicContact CB-CD1 3.85Å; N109-I112 HydrophobicContact CB-CG1 3.98Å; N109-I112 PolarHBondContact O-N 3.28Å; N109-I112 PolarHBondContact OD1-N 3.49Å; N109-G113 PolarHBondContact O-N 2.87Å; N109-A143 VanDerWaalsContact O-CB 3.3Å; N109-A143 WeakPolarHBondContact O-CB 3.49Å
110E90.8Very high90Very high90 Ų9060.2 Ų60.242%0.42130%0.303SS..Hα-helixtrans-60.5-39.7-177.871.7-159.1-154.200113.6G113 L114 Y136 L139E110-G113 PolarHBondContact O-N 3.49Å; E110-L114 WeakPolarHBondContact O-CB 3.32Å; E110-L114 PolarHBondContact O-N 3.33Å; E110-Y136 VanDerWaalsContact CD-CD1 3.46Å; E110-Y136 HydrophobicContact CG-CD1 4.38Å; E110-Y136 WeakPolarHBondContact OE2-CB 3.14Å; E110-Y136 VanDerWaalsContact OE2-CD1 3.3Å; E110-Y136 WeakPolarHBondContact OE2-CD1 3.5Å; E110-L139 HydrophobicContact CB-CB 4.12Å
111A91.9Very high90Very high63 Ų6358.9 Ų58.952%0.52130%0.297SS..Hα-helixtrans-70.7-41.8-176.800000110.8N109 G113 L114 E115N109-A111 PolarHBondContact O-N 2.7Å; N109-A111 WeakPolarHBondContact OD1-CB 3.11Å; N109-A111 PolarHBondContact OD1-N 3.09Å; A111-G113 VanDerWaalsContact C-N 3.3Å; A111-L114 PolarHBondContact O-N 3.45Å; A111-E115 PolarHBondContact O-N 2.97Å
112I93.4Very high89.8Confident80 Ų8058.1 Ų58.141%0.4129%0.291SS..Hα-helixtrans-64.1-40.3172.8-59.6178.8000109.7N109 L114 E115 T116 A143N109-I112 HydrophobicContact CB-CB 4.12Å; N109-I112 HydrophobicContact CB-CD1 3.85Å; N109-I112 HydrophobicContact CB-CG1 3.98Å; N109-I112 PolarHBondContact O-N 3.28Å; N109-I112 PolarHBondContact OD1-N 3.49Å; I112-L114 VanDerWaalsContact C-N 3.34Å; I112-L114 PolarHBondContact O-N 3.31Å; I112-E115 PolarHBondContact O-N 2.98Å; I112-T116 VanDerWaalsContact O-CB 3.29Å; I112-T116 WeakPolarHBondContact O-CB 3.43Å; I112-T116 PolarHBondContact O-N 2.86Å; I112-T116 PolarHBondContact O-OG1 3.31Å; I112-A143 HydrophobicContact CB-CB 4.29Å; I112-A143 HydrophobicContact CG2-CB 4.24Å
113G91.4Very high89.4Confident0 Ų060.8 Ų60.80%030%0.297CS..Hα-helixtrans-60.1-45.7177.200000112N109 E110 A111 T116 I117 L139N109-G113 PolarHBondContact O-N 2.87Å; E110-G113 PolarHBondContact O-N 3.49Å; A111-G113 VanDerWaalsContact C-N 3.3Å; G113-T116 WeakPolarHBondContact O-CB 3.45Å; G113-T116 PolarHBondContact O-N 3.49Å; G113-I117 WeakPolarHBondContact O-CG1 3.4Å; G113-I117 PolarHBondContact O-N 2.97Å; G113-L139 WeakPolarHBondContact CA-O 3.33Å
114L89Confident88.8Confident45 Ų4565 Ų6524%0.23632%0.315CS..Hα-helixtrans-64.9-42.3178.3-168.667.5000112.5E110 A111 I112 T116 I117 D118 L139E110-L114 WeakPolarHBondContact O-CB 3.32Å; E110-L114 PolarHBondContact O-N 3.33Å; A111-L114 PolarHBondContact O-N 3.45Å; I112-L114 VanDerWaalsContact C-N 3.34Å; I112-L114 PolarHBondContact O-N 3.31Å; L114-T116 VanDerWaalsContact C-N 3.32Å; L114-I117 PolarHBondContact O-N 3.46Å; L114-D118 PolarHBondContact O-N 3.16Å; L114-D118 VanDerWaalsContact O-N 3.08Å; L114-L139 HydrophobicContact CB-CD1 4.47Å; L114-L139 HydrophobicContact CB-CD2 4.35Å; L114-L139 HydrophobicContact CD1-CD1 4.2Å; L114-L139 HydrophobicContact CD1-CD2 3.96Å
115E92.4Very high88Confident140 Ų14062 Ų6265%0.65430%0.301SS*.Hα-helixtrans-63.5-39.7174-175.8-177.5179.500111.5A111 I112 I117 D118 R119A111-E115 PolarHBondContact O-N 2.97Å; I112-E115 PolarHBondContact O-N 2.98Å; E115-I117 VanDerWaalsContact C-N 3.35Å; E115-D118 PolarHBondContact O-N 3.24Å; E115-R119 PolarHBondContact O-N 3.39Å
116T91.4Very high87.2Confident12 Ų1261 Ų617%0.07430%0.302CS..Hα-helixtrans-65.1-41.5178.2-58.90000110.9I112 G113 L114 R119 I120 I146I112-T116 VanDerWaalsContact O-CB 3.29Å; I112-T116 WeakPolarHBondContact O-CB 3.43Å; I112-T116 PolarHBondContact O-N 2.86Å; I112-T116 PolarHBondContact O-OG1 3.31Å; G113-T116 WeakPolarHBondContact O-CB 3.45Å; G113-T116 PolarHBondContact O-N 3.49Å; L114-T116 VanDerWaalsContact C-N 3.32Å; T116-R119 WeakPolarHBondContact O-CB 3.19Å; T116-R119 PolarHBondContact O-N 3.34Å; T116-I120 HydrophobicContact CG2-CD1 4.23Å; T116-I120 WeakPolarHBondContact O-CG1 3.02Å; T116-I120 PolarHBondContact O-N 3.28Å; T116-I146 HydrophobicContact CG2-CB 3.76Å; T116-I146 HydrophobicContact CG2-CG1 3.82Å; T116-I146 HydrophobicContact CG2-CG2 3.56Å
117I89.6Confident86.3Confident4 Ų457.8 Ų57.82%0.02129%0.293CS..Hα-helixtrans-58.8-49173.2-74.2176.8000110.1L34 G113 L114 E115 R119 I120 C121 L132 L139 T142 I164L34-I117 HydrophobicContact CD1-CD1 3.77Å; G113-I117 WeakPolarHBondContact O-CG1 3.4Å; G113-I117 PolarHBondContact O-N 2.97Å; L114-I117 PolarHBondContact O-N 3.46Å; E115-I117 VanDerWaalsContact C-N 3.35Å; I117-R119 PolarHBondContact O-N 3.11Å; I117-I120 PolarHBondContact O-N 3.48Å; I117-C121 HydrophobicContact CG2-CB 4.38Å; I117-C121 WeakPolarHBondContact O-CB 3.46Å; I117-C121 PolarHBondContact O-N 2.8Å; I117-L132 HydrophobicContact CD1-CD1 3.58Å; I117-L132 HydrophobicContact CG2-CD1 4.4Å; I117-L139 HydrophobicContact CD1-CD2 3.5Å; I117-T142 HydrophobicContact CD1-CG2 4.19Å; I117-T142 HydrophobicContact CG1-CG2 3.96Å; I117-I164 HydrophobicContact CB-CD1 4.28Å; I117-I164 HydrophobicContact CG1-CD1 4.15Å; I117-I164 HydrophobicContact CG2-CD1 3.85Å
118D89Confident85.5Confident71 Ų7157.8 Ų57.838%0.3829%0.292SS..Hα-helixtrans-59.8-32.8178.4-71.5-30000113.1L114 E115 R129L114-D118 PolarHBondContact O-N 3.16Å; L114-D118 VanDerWaalsContact O-N 3.08Å; E115-D118 PolarHBondContact O-N 3.24Å; D118-R129 VanDerWaalsContact CG-CZ 3.46Å; D118-R129 IonicContact OD1-CZ 2.71Å; D118-R129 IonicContact OD1-NE 2.84Å; D118-R129 IonicContact OD1-NH1 2.65Å; D118-R129 PolarHBondContact OD1-NH1 2.97Å; D118-R129 IonicContact OD1-NH2 3.78Å; D118-R129 IonicContact OD2-CZ 3.82Å; D118-R129 IonicContact OD2-NE 3.9Å; D118-R129 IonicContact OD2-NH1 3.09Å; D118-R129 PolarHBondContact OD2-NH1 3.47Å; D118-R129 IonicContact OD2-NH2 3.43Å; D118-R129 PolarHBondContact OD2-NH2 3.46Å
119R90.8Very high84.6Confident110 Ų11060.4 Ų60.442%0.41530%0.301SS..Hα-helixtrans-70.7-44.8178.4-177.5-178.571.8-169.66.6112.6E115 T116 I117 E150 P159 K160E115-R119 PolarHBondContact O-N 3.39Å; T116-R119 WeakPolarHBondContact O-CB 3.19Å; T116-R119 PolarHBondContact O-N 3.34Å; I117-R119 PolarHBondContact O-N 3.11Å; R119-E150 IonicContact CZ-OE1 2.79Å; R119-E150 IonicContact CZ-OE2 3.45Å; R119-E150 IonicContact NH1-OE2 3.16Å; R119-E150 IonicContact NH2-OE1 2.99Å; R119-E150 PolarHBondContact NH2-OE1 2.9Å; R119-E150 IonicContact NH2-OE2 3.17Å; R119-E150 PolarHBondContact NH2-OE2 2.85Å; R119-P159 WeakPolarHBondContact O-CA 3.38Å; R119-K160 PolarHBondContact O-N 3.39Å
120I89.2Confident83.6Confident1 Ų166.3 Ų66.31%0.00532%0.319CS..Hα-helixtrans-99.3-23.5-16972.4-173000113.8L32 T116 I117 L122 I146 K160 S161 M162 I164L32-I120 HydrophobicContact CD2-CD1 4.22Å; T116-I120 HydrophobicContact CG2-CD1 4.23Å; T116-I120 WeakPolarHBondContact O-CG1 3.02Å; T116-I120 PolarHBondContact O-N 3.28Å; I117-I120 PolarHBondContact O-N 3.48Å; I120-L122 PolarHBondContact O-N 2.95Å; I120-I146 HydrophobicContact CD1-CD1 3.92Å; I120-I146 HydrophobicContact CD1-CG1 4.11Å; I120-K160 CarbonylContact O-C 3.58Å; I120-K160 WeakPolarHBondContact O-CA 3.46Å; I120-S161 PolarHBondContact O-N 2.87Å; I120-S161 VanDerWaalsContact O-N 3.08Å; I120-M162 HydrophobicContact CB-CB 4.46Å; I120-M162 HydrophobicContact CD1-SD 4.01Å; I120-M162 HydrophobicContact CG1-CB 4.47Å; I120-M162 PolarHBondContact O-N 2.82Å; I120-I164 HydrophobicContact CG1-CD1 4.18Å
121C87.1Confident82.8Confident7 Ų765 Ų655%0.04732%0.319CS..BIsolated β-bridgetrans-64.9130.4-173.6-167.60000112I117 K160 I164I117-C121 HydrophobicContact CG2-CB 4.38Å; I117-C121 WeakPolarHBondContact O-CB 3.46Å; I117-C121 PolarHBondContact O-N 2.8Å; C121-K160 VanDerWaalsContact O-CA 3.31Å; C121-K160 WeakPolarHBondContact O-CA 3.43Å; C121-I164 HydrophobicContact CB-CD1 3.51Å; C121-I164 HydrophobicContact CB-CG1 4.21Å
122L84.1Confident82.2Confident12 Ų1262 Ų626%0.06329%0.294CS..  trans-49.3139.7167-81.8165.5000111.3I120 E124 C125 K160 M162 R163 Y492I120-L122 PolarHBondContact O-N 2.95Å; L122-E124 PolarHBondContact O-N 2.92Å; L122-C125 HydrophobicContact CB-CB 4.37Å; L122-C125 PolarHBondContact O-N 3.05Å; L122-K160 WeakPolarHBondContact CD2-O 3.25Å; L122-M162 PolarHBondContact N-O 3.35Å; L122-R163 HydrophobicContact CD1-CB 3.87Å; L122-Y492 HydrophobicContact CD1-CD2 3.75Å; L122-Y492 HydrophobicContact CD1-CE2 3.68Å
123E79.4Confident81.1Confident120 Ų12062.9 Ų62.956%0.56130%0.3SS*.G310 helixtrans-58.5-36-178.9-64.1-169.7155.700112.6C125 Q126 K160E123-C125 VanDerWaalsContact C-N 3.25Å; E123-C125 PolarHBondContact O-N 3.21Å; E123-Q126 WeakPolarHBondContact O-CG 3.5Å; E123-Q126 PolarHBondContact O-N 2.9Å; E123-K160 HydrophobicContact CG-CB 4.43Å; E123-K160 HydrophobicContact CG-CD 3.81Å; E123-K160 HydrophobicContact CG-CG 4.49Å; E123-K160 WeakPolarHBondContact OE1-CD 3.43Å; E123-K160 IonicContact OE1-NZ 3.87Å; E123-K160 PolarHBondContact OE1-NZ 2.98Å
124E74.6Confident80.5Confident101 Ų10169.9 Ų69.947%0.47233%0.333SS..G310 helixtrans-67.8-22.4177.7-68.6161.6-143.100113.3L122 R329 S489L122-E124 PolarHBondContact O-N 2.92Å; E124-R329 IonicContact OE1-CZ 2.68Å; E124-R329 IonicContact OE1-NH1 3.07Å; E124-R329 PolarHBondContact OE1-NH1 3.22Å; E124-R329 IonicContact OE2-CZ 3.97Å; E124-R329 IonicContact OE2-NH1 2.85Å; E124-R329 PolarHBondContact OE2-NH1 3.27Å; E124-R329 IonicContact OE2-NH2 2.92Å; E124-S489 WeakPolarHBondContact OE1-CB 3.29Å; E124-S489 PolarHBondContact OE1-OG 2.81Å; E124-S489 WeakPolarHBondContact OE2-CB 3.41Å
125C72.8Confident80.2Confident20 Ų2070.9 Ų70.914%0.13534%0.335CS..G310 helixtrans-9811.3-178.6-64.20000113.1L122 E123 D127 V128L122-C125 HydrophobicContact CB-CB 4.37Å; L122-C125 PolarHBondContact O-N 3.05Å; E123-C125 VanDerWaalsContact C-N 3.25Å; E123-C125 PolarHBondContact O-N 3.21Å; C125-D127 PolarHBondContact O-N 3.18Å; C125-D127 VanDerWaalsContact O-N 3.15Å; C125-V128 WeakPolarHBondContact O-CB 2.98Å; C125-V128 WeakPolarHBondContact O-CG2 3.48Å; C125-V128 PolarHBondContact O-N 3.15Å; C125-V128 VanDerWaalsContact O-N 3.07Å
126Q69.6Low80Confident112 Ų11269.5 Ų69.552%0.52333%0.325SS..THydrogen-bonded Turntrans-62.7-22.4-178.2-76.1-174.39.500113.8E123 V128 R129E123-Q126 WeakPolarHBondContact O-CG 3.5Å; E123-Q126 PolarHBondContact O-N 2.9Å; Q126-V128 PolarHBondContact O-N 2.95Å; Q126-R129 WeakPolarHBondContact O-CB 3.2Å; Q126-R129 PolarHBondContact O-N 3Å
127D70.4Confident80Confident105 Ų10571.4 Ų71.456%0.56133%0.331SS*.THydrogen-bonded Turntrans-60.7-26.6174.7-73.8-37.7000112.9C125 R129 R130C125-D127 PolarHBondContact O-N 3.18Å; C125-D127 VanDerWaalsContact O-N 3.15Å; D127-R129 PolarHBondContact O-N 3.19Å; D127-R129 VanDerWaalsContact O-N 3.13Å; D127-R130 PolarHBondContact O-N 3.23Å; D127-R130 VanDerWaalsContact O-N 3.09Å; D127-R130 IonicContact OD1-CZ 2.77Å; D127-R130 IonicContact OD1-NH1 3.5Å
128V73.8Confident80Confident27 Ų2771.2 Ų71.216%0.16433%0.33CS..Hα-helixtrans-57.8-27.5174.4174.10000111.3C125 Q126 R130 S131 L132 I164C125-V128 WeakPolarHBondContact O-CB 2.98Å; C125-V128 WeakPolarHBondContact O-CG2 3.48Å; C125-V128 PolarHBondContact O-N 3.15Å; C125-V128 VanDerWaalsContact O-N 3.07Å; Q126-V128 PolarHBondContact O-N 2.95Å; V128-R130 VanDerWaalsContact C-N 3.25Å; V128-R130 PolarHBondContact O-N 2.92Å; V128-S131 WeakPolarHBondContact O-CB 3.09Å; V128-S131 PolarHBondContact O-N 3.49Å; V128-L132 HydrophobicContact CG1-CD1 3.91Å; V128-L132 HydrophobicContact CG1-CG 4.15Å; V128-L132 WeakPolarHBondContact O-CG 3.46Å; V128-L132 PolarHBondContact O-N 3.42Å; V128-I164 HydrophobicContact CG1-CG2 4.23Å
129R73.5Confident80.1Confident85 Ų8568.3 Ų68.332%0.32131%0.314SS..Hα-helixtrans-56.4-40177-172.1169.2-179.283.5-8.5112.4D118 Q126 D127 S131 L132 D133D118-R129 VanDerWaalsContact CG-CZ 3.46Å; D118-R129 IonicContact OD1-CZ 2.71Å; D118-R129 IonicContact OD1-NE 2.84Å; D118-R129 IonicContact OD1-NH1 2.65Å; D118-R129 PolarHBondContact OD1-NH1 2.97Å; D118-R129 IonicContact OD1-NH2 3.78Å; D118-R129 IonicContact OD2-CZ 3.82Å; D118-R129 IonicContact OD2-NE 3.9Å; D118-R129 IonicContact OD2-NH1 3.09Å; D118-R129 PolarHBondContact OD2-NH1 3.47Å; D118-R129 IonicContact OD2-NH2 3.43Å; D118-R129 PolarHBondContact OD2-NH2 3.46Å; Q126-R129 WeakPolarHBondContact O-CB 3.2Å; Q126-R129 PolarHBondContact O-N 3Å; D127-R129 PolarHBondContact O-N 3.19Å; D127-R129 VanDerWaalsContact O-N 3.13Å; R129-S131 VanDerWaalsContact C-N 3.27Å; R129-S131 PolarHBondContact O-N 3.33Å; R129-L132 PolarHBondContact O-N 3.5Å; R129-L132 VanDerWaalsContact O-N 3.15Å; R129-D133 PolarHBondContact O-N 3.32Å
130R71.6Confident80.3Confident188 Ų18863.6 Ų63.671%0.70930%0.299SS*.Hα-helixtrans-64.9-34.1177.7-62.3-179.1-177.7155.15.9111.9D127 V128 L132 D133D127-R130 PolarHBondContact O-N 3.23Å; D127-R130 VanDerWaalsContact O-N 3.09Å; D127-R130 IonicContact OD1-CZ 2.77Å; D127-R130 IonicContact OD1-NH1 3.5Å; V128-R130 VanDerWaalsContact C-N 3.25Å; V128-R130 PolarHBondContact O-N 2.92Å; R130-L132 PolarHBondContact O-N 2.83Å; R130-D133 PolarHBondContact O-N 3.23Å
131S73.4Confident80.5Confident61 Ų6163.5 Ų63.543%0.42730%0.299SS..Hα-helixtrans-72.7-19.8178.1-49.50000112.9V128 R129V128-S131 WeakPolarHBondContact O-CB 3.09Å; V128-S131 PolarHBondContact O-N 3.49Å; R129-S131 VanDerWaalsContact C-N 3.27Å; R129-S131 PolarHBondContact O-N 3.33Å
132L79.2Confident80.9Confident0 Ų063.2 Ų63.20%030%0.296CS..THydrogen-bonded Turntrans-93.9-5.7-179-65.5171.8000113.1L34 I117 V128 R129 R130 E134 K135 L139 Y166L34-L132 HydrophobicContact CB-CD2 4.48Å; L34-L132 HydrophobicContact CD1-CD1 3.97Å; L34-L132 HydrophobicContact CD1-CD2 3.81Å; I117-L132 HydrophobicContact CD1-CD1 3.58Å; I117-L132 HydrophobicContact CG2-CD1 4.4Å; V128-L132 HydrophobicContact CG1-CD1 3.91Å; V128-L132 HydrophobicContact CG1-CG 4.15Å; V128-L132 WeakPolarHBondContact O-CG 3.46Å; V128-L132 PolarHBondContact O-N 3.42Å; R129-L132 PolarHBondContact O-N 3.5Å; R129-L132 VanDerWaalsContact O-N 3.15Å; R130-L132 PolarHBondContact O-N 2.83Å; L132-E134 PolarHBondContact O-N 3.4Å; L132-K135 WeakPolarHBondContact O-CB 3.25Å; L132-K135 PolarHBondContact O-N 3.09Å; L132-L139 HydrophobicContact CB-CD2 4.38Å; L132-L139 HydrophobicContact CD1-CD2 4.31Å; L132-Y166 HydrophobicContact CD2-CD2 3.63Å; L132-Y166 HydrophobicContact CD2-CE2 4.29Å; L132-Y166 HydrophobicContact CD2-CG 4.24Å
133D71.9Confident81.4Confident99 Ų9962.8 Ų62.853%0.52929%0.294SS..THydrogen-bonded Turntrans-55.3130.4172.3-73.9-25.2000109.1R129 R130 K135R129-D133 PolarHBondContact O-N 3.32Å; R130-D133 PolarHBondContact O-N 3.23Å; D133-K135 PolarHBondContact O-N 2.85Å
134E78.5Confident82.2Confident148 Ų14857 Ų5769%0.69227%0.268SS*.THydrogen-bonded Turntrans64.512.1-177.1-49.2179.1163.900115.5L132 Y136L132-E134 PolarHBondContact O-N 3.4Å; E134-Y136 HydrophobicContact CB-CE2 4.17Å; E134-Y136 VanDerWaalsContact O-CD2 3.3Å; E134-Y136 WeakPolarHBondContact O-CD2 3.3Å; E134-Y136 WeakPolarHBondContact O-CE2 3.37Å; E134-Y136 PolarHBondContact O-N 3Å
135K82.3Confident83.1Confident66 Ų6652.2 Ų52.229%0.28725%0.245SC..  trans-94.561176.1-53.5-53.2179.1-164.90112.7Q36 L132 D133 Y137 C138 L139 Y166Q36-K135 HydrophobicContact CB-CD 4.44Å; Q36-K135 VanDerWaalsContact OE1-CA 3.24Å; Q36-K135 PolarHBondContact OE1-O 3.28Å; L132-K135 WeakPolarHBondContact O-CB 3.25Å; L132-K135 PolarHBondContact O-N 3.09Å; D133-K135 PolarHBondContact O-N 2.85Å; K135-Y137 PolarHBondContact O-N 3.15Å; K135-C138 WeakPolarHBondContact CB-SG 3.28Å; K135-C138 PolarHBondContact O-N 3.42Å; K135-C138 PolarHBondContact O-SG 3.39Å; K135-C138 VanDerWaalsContact O-SG 3.35Å; K135-L139 VanDerWaalsContact O-CG 3.24Å; K135-L139 WeakPolarHBondContact O-CG 3.5Å; K135-L139 PolarHBondContact O-N 2.75Å; K135-Y166 HydrophobicContact CG-CE2 4.28Å
136Y88.5Confident84.1Confident110 Ų11051.3 Ų51.343%0.43124%0.239SC..Hα-helixtrans-55.5-42.5-172.5-54.2-69.1000114.3E110 E134 A140E110-Y136 VanDerWaalsContact CD-CD1 3.46Å; E110-Y136 HydrophobicContact CG-CD1 4.38Å; E110-Y136 WeakPolarHBondContact OE2-CB 3.14Å; E110-Y136 VanDerWaalsContact OE2-CD1 3.3Å; E110-Y136 WeakPolarHBondContact OE2-CD1 3.5Å; E134-Y136 HydrophobicContact CB-CE2 4.17Å; E134-Y136 VanDerWaalsContact O-CD2 3.3Å; E134-Y136 WeakPolarHBondContact O-CD2 3.3Å; E134-Y136 WeakPolarHBondContact O-CE2 3.37Å; E134-Y136 PolarHBondContact O-N 3Å; Y136-A140 WeakPolarHBondContact O-CB 3.49Å; Y136-A140 PolarHBondContact O-N 3.22Å
137Y90Very high85.1Confident52 Ų5247.9 Ų47.920%0.20422%0.224CC..Hα-helixtrans-76.2-39.2-173.3-59.2-61.4000112.5G12 A16 E19 K135 L139 A140 S141G12-Y137 WeakPolarHBondContact CA-OH 3.43Å; A16-Y137 HydrophobicContact CB-CE2 4Å; A16-Y137 WeakPolarHBondContact CB-OH 3.33Å; E19-Y137 HydrophobicContact CB-CD2 3.92Å; E19-Y137 HydrophobicContact CB-CE2 3.85Å; E19-Y137 WeakPolarHBondContact OE2-CE2 3.32Å; K135-Y137 PolarHBondContact O-N 3.15Å; Y137-L139 VanDerWaalsContact C-N 3.32Å; Y137-A140 PolarHBondContact O-N 3.27Å; Y137-S141 PolarHBondContact O-N 2.63Å; Y137-S141 PolarHBondContact O-OG 3.39Å; Y137-S141 VanDerWaalsContact O-OG 3.12Å
138C90.6Very high86.2Confident0 Ų044.3 Ų44.30%020%0.203CC..Hα-helixtrans-69.4-34.2174.975.60000111.5A35 Q36 K135 S141 T142A35-C138 WeakPolarHBondContact O-CB 3.45Å; Q36-C138 HydrophobicContact CB-CB 4.15Å; K135-C138 WeakPolarHBondContact CB-SG 3.28Å; K135-C138 PolarHBondContact O-N 3.42Å; K135-C138 PolarHBondContact O-SG 3.39Å; K135-C138 VanDerWaalsContact O-SG 3.35Å; C138-S141 PolarHBondContact O-N 3.08Å; C138-T142 WeakPolarHBondContact O-CB 3.36Å; C138-T142 PolarHBondContact O-N 3.23Å; C138-T142 PolarHBondContact O-OG1 2.99Å
139L91.4Very high86.9Confident10 Ų1043 Ų435%0.05220%0.195CC..Hα-helixtrans-63.9-45173.4-69.6172.2000111.3E110 G113 L114 I117 L132 K135 Y137 S141 T142 A143E110-L139 HydrophobicContact CB-CB 4.12Å; G113-L139 WeakPolarHBondContact CA-O 3.33Å; L114-L139 HydrophobicContact CB-CD1 4.47Å; L114-L139 HydrophobicContact CB-CD2 4.35Å; L114-L139 HydrophobicContact CD1-CD1 4.2Å; L114-L139 HydrophobicContact CD1-CD2 3.96Å; I117-L139 HydrophobicContact CD1-CD2 3.5Å; L132-L139 HydrophobicContact CB-CD2 4.38Å; L132-L139 HydrophobicContact CD1-CD2 4.31Å; K135-L139 VanDerWaalsContact O-CG 3.24Å; K135-L139 WeakPolarHBondContact O-CG 3.5Å; K135-L139 PolarHBondContact O-N 2.75Å; Y137-L139 VanDerWaalsContact C-N 3.32Å; L139-S141 PolarHBondContact O-N 3.02Å; L139-T142 WeakPolarHBondContact O-CB 3.39Å; L139-T142 PolarHBondContact O-N 3.15Å; L139-T142 VanDerWaalsContact O-N 3.14Å; L139-A143 PolarHBondContact O-N 3.08Å
140A93.6Very high87.7Confident11 Ų1141 Ų419%0.09119%0.189CC..Hα-helixtrans-61-43.2175.100000112.2F108 Y136 Y137 T142 A143 A144F108-A140 WeakPolarHBondContact CA-O 3.41Å; F108-A140 HydrophobicContact CB-CB 4.26Å; Y136-A140 WeakPolarHBondContact O-CB 3.49Å; Y136-A140 PolarHBondContact O-N 3.22Å; Y137-A140 PolarHBondContact O-N 3.27Å; A140-T142 VanDerWaalsContact C-N 3.3Å; A140-T142 PolarHBondContact O-N 3.06Å; A140-A143 PolarHBondContact O-N 3.28Å; A140-A144 PolarHBondContact O-N 3.13Å
141S95Very high88.5Confident0 Ų038.7 Ų38.70%019%0.185CC..Hα-helixtrans-61.2-38.8173.2-65.40000112.2A8 A10 G21 Y137 C138 L139 A144 L145A8-S141 WeakPolarHBondContact CB-O 3.41Å; A8-S141 WeakPolarHBondContact O-CB 3.46Å; A8-S141 PolarHBondContact O-OG 3Å; A10-S141 VanDerWaalsContact CB-OG 3.28Å; A10-S141 WeakPolarHBondContact CB-OG 3.36Å; A10-S141 PolarHBondContact N-OG 3.21Å; G21-S141 PolarHBondContact O-OG 3.07Å; Y137-S141 PolarHBondContact O-N 2.63Å; Y137-S141 PolarHBondContact O-OG 3.39Å; Y137-S141 VanDerWaalsContact O-OG 3.12Å; C138-S141 PolarHBondContact O-N 3.08Å; L139-S141 PolarHBondContact O-N 3.02Å; S141-A144 PolarHBondContact O-N 3.46Å; S141-L145 WeakPolarHBondContact O-CB 3.47Å; S141-L145 PolarHBondContact O-N 3.45Å
142T95.1Very high89.1Confident0 Ų040.1 Ų40.10%019%0.19CC..Hα-helixtrans-61.8-45.4177.3-55.90000111.7L32 L34 I117 C138 L139 A140 A144 L145 I146L32-T142 HydrophobicContact CD2-CG2 3.72Å; L34-T142 HydrophobicContact CD2-CG2 4.43Å; L34-T142 WeakPolarHBondContact CD2-OG1 3.42Å; I117-T142 HydrophobicContact CD1-CG2 4.19Å; I117-T142 HydrophobicContact CG1-CG2 3.96Å; C138-T142 WeakPolarHBondContact O-CB 3.36Å; C138-T142 PolarHBondContact O-N 3.23Å; C138-T142 PolarHBondContact O-OG1 2.99Å; L139-T142 WeakPolarHBondContact O-CB 3.39Å; L139-T142 PolarHBondContact O-N 3.15Å; L139-T142 VanDerWaalsContact O-N 3.14Å; A140-T142 VanDerWaalsContact C-N 3.3Å; A140-T142 PolarHBondContact O-N 3.06Å; T142-A144 VanDerWaalsContact C-N 3.33Å; T142-A144 PolarHBondContact O-N 3.26Å; T142-L145 PolarHBondContact O-N 3.4Å; T142-I146 HydrophobicContact CG2-CG1 4.31Å; T142-I146 WeakPolarHBondContact O-CG1 3.45Å; T142-I146 PolarHBondContact O-N 2.86Å
143A95.1Very high89.2Confident3 Ų342.5 Ų42.53%0.02520%0.201CC..Hα-helixtrans-56.9-48.3177.400000111.3C107 N109 I112 L139 A140 L145 D147C107-A143 CarbonylContact O-C 3.58Å; C107-A143 VanDerWaalsContact O-CB 3.24Å; C107-A143 WeakPolarHBondContact O-CB 3.47Å; N109-A143 VanDerWaalsContact O-CB 3.3Å; N109-A143 WeakPolarHBondContact O-CB 3.49Å; I112-A143 HydrophobicContact CB-CB 4.29Å; I112-A143 HydrophobicContact CG2-CB 4.24Å; L139-A143 PolarHBondContact O-N 3.08Å; A140-A143 PolarHBondContact O-N 3.28Å; A143-L145 PolarHBondContact O-N 2.57Å; A143-D147 WeakPolarHBondContact O-CB 3.37Å; A143-D147 PolarHBondContact O-N 2.65Å
144A94.9Very high89.7Confident0 Ų048 Ų480%022%0.215CC..Hα-helixtrans-64.6-40.1179.400000112.5V103 C107 F108 A140 S141 T142 Y148V103-A144 HydrophobicContact CG1-CB 4.49Å; C107-A144 HydrophobicContact CB-CB 4.35Å; C107-A144 PolarHBondContact O-N 3.45Å; F108-A144 HydrophobicContact CD1-CB 3.65Å; F108-A144 HydrophobicContact CD2-CB 3.81Å; F108-A144 HydrophobicContact CE1-CB 3.51Å; F108-A144 HydrophobicContact CE2-CB 3.67Å; F108-A144 HydrophobicContact CG-CB 3.81Å; F108-A144 HydrophobicContact CZ-CB 3.52Å; A140-A144 PolarHBondContact O-N 3.13Å; S141-A144 PolarHBondContact O-N 3.46Å; T142-A144 VanDerWaalsContact C-N 3.33Å; T142-A144 PolarHBondContact O-N 3.26Å; A144-Y148 VanDerWaalsContact O-CB 3.31Å; A144-Y148 WeakPolarHBondContact O-CB 3.28Å; A144-Y148 PolarHBondContact O-N 2.95Å
145L94.5Very high89.8Confident0 Ų042.4 Ų42.40%019%0.192CC..Hα-helixtrans-62.4-52.8178.8-177.764000111.8I6 A8 A23 I25 L32 L72 S141 T142 A143 Y148 L149I6-L145 HydrophobicContact CB-CD1 3.94Å; I6-L145 HydrophobicContact CG2-CD1 3.43Å; I6-L145 VanDerWaalsContact CG2-CD1 3.43Å; A8-L145 HydrophobicContact CB-CB 3.81Å; A8-L145 HydrophobicContact CB-CD1 4.45Å; A23-L145 HydrophobicContact CB-CB 4.49Å; A23-L145 HydrophobicContact CB-CD2 3.96Å; I25-L145 HydrophobicContact CB-CD2 4.28Å; I25-L145 HydrophobicContact CG2-CD1 4.36Å; I25-L145 HydrophobicContact CG2-CD2 4.13Å; I25-L145 HydrophobicContact CG2-CG 4.45Å; L32-L145 HydrophobicContact CD1-CD2 3.69Å; L72-L145 HydrophobicContact CD1-CD1 4.04Å; S141-L145 WeakPolarHBondContact O-CB 3.47Å; S141-L145 PolarHBondContact O-N 3.45Å; T142-L145 PolarHBondContact O-N 3.4Å; A143-L145 PolarHBondContact O-N 2.57Å; L145-Y148 PolarHBondContact O-N 3.4Å; L145-L149 HydrophobicContact CD1-CD1 4.49Å; L145-L149 HydrophobicContact CG-CD1 4.19Å; L145-L149 VanDerWaalsContact O-CG 3.32Å; L145-L149 WeakPolarHBondContact O-CG 3.41Å; L145-L149 PolarHBondContact O-N 2.89Å
146I92.8Very high89.9Confident1 Ų142.6 Ų42.61%0.00520%0.196CC..Hα-helixtrans-68.5-39.8-177.9-58.8-58.5000110.9T116 I120 T142 Y148 L149 E150T116-I146 HydrophobicContact CG2-CB 3.76Å; T116-I146 HydrophobicContact CG2-CG1 3.82Å; T116-I146 HydrophobicContact CG2-CG2 3.56Å; I120-I146 HydrophobicContact CD1-CD1 3.92Å; I120-I146 HydrophobicContact CD1-CG1 4.11Å; T142-I146 HydrophobicContact CG2-CG1 4.31Å; T142-I146 WeakPolarHBondContact O-CG1 3.45Å; T142-I146 PolarHBondContact O-N 2.86Å; I146-Y148 VanDerWaalsContact C-N 3.27Å; I146-Y148 PolarHBondContact O-N 2.89Å; I146-L149 HydrophobicContact CD1-CD1 4.08Å; I146-L149 PolarHBondContact O-N 3.46Å; I146-E150 HydrophobicContact CG2-CG 4.09Å; I146-E150 WeakPolarHBondContact O-CG 3.43Å; I146-E150 PolarHBondContact O-N 3.28Å
147D92.2Very high89.7Confident39 Ų3938.3 Ų38.321%0.20918%0.179CC..Hα-helixtrans-59.1-40.4176.2-163.962.7000111.6C107 A143 K151C107-D147 PolarHBondContact SG-OD2 3.19Å; C107-D147 VanDerWaalsContact SG-OD2 3.32Å; A143-D147 WeakPolarHBondContact O-CB 3.37Å; A143-D147 PolarHBondContact O-N 2.65Å; D147-K151 VanDerWaalsContact O-CB 3.27Å; D147-K151 WeakPolarHBondContact O-CB 3.3Å; D147-K151 WeakPolarHBondContact O-CG 3.44Å; D147-K151 PolarHBondContact O-N 3.42Å; D147-K151 WeakPolarHBondContact OD1-CD 3.43Å; D147-K151 WeakPolarHBondContact OD1-CE 3.36Å; D147-K151 IonicContact OD1-NZ 3.96Å; D147-K151 PolarHBondContact OD1-NZ 3.15Å; D147-K151 IonicContact OD2-NZ 3.83Å; D147-K151 PolarHBondContact OD2-NZ 3.16Å
148Y91.6Very high89.3Confident31 Ų3136.4 Ų36.412%0.12217%0.173CC..Hα-helixtrans-65.4-45.9175.1179.7-91000112.1I6 L72 T101 V103 A144 L145 I146 E150 V152 Q153I6-Y148 HydrophobicContact CD1-CE1 4.47Å; I6-Y148 HydrophobicContact CG2-CD1 4.49Å; L72-Y148 HydrophobicContact CD1-CD1 3.9Å; L72-Y148 HydrophobicContact CD1-CD2 4.25Å; L72-Y148 HydrophobicContact CD1-CG 3.65Å; L72-Y148 HydrophobicContact CD2-CD1 4.1Å; L72-Y148 HydrophobicContact CD2-CD2 3.79Å; L72-Y148 HydrophobicContact CD2-CE1 4.16Å; L72-Y148 HydrophobicContact CD2-CE2 3.84Å; L72-Y148 HydrophobicContact CD2-CG 3.92Å; L72-Y148 HydrophobicContact CG-CG 4.46Å; T101-Y148 HydrophobicContact CG2-CE2 4.01Å; V103-Y148 HydrophobicContact CG2-CD2 4.22Å; A144-Y148 VanDerWaalsContact O-CB 3.31Å; A144-Y148 WeakPolarHBondContact O-CB 3.28Å; A144-Y148 PolarHBondContact O-N 2.95Å; L145-Y148 PolarHBondContact O-N 3.4Å; I146-Y148 VanDerWaalsContact C-N 3.27Å; I146-Y148 PolarHBondContact O-N 2.89Å; Y148-E150 PolarHBondContact O-N 2.94Å; Y148-V152 HydrophobicContact CD2-CB 3.95Å; Y148-V152 HydrophobicContact CD2-CG1 4.4Å; Y148-V152 HydrophobicContact CD2-CG2 3.64Å; Y148-V152 HydrophobicContact CE2-CB 3.88Å; Y148-V152 HydrophobicContact CE2-CG1 3.81Å; Y148-V152 HydrophobicContact CE2-CG2 3.86Å; Y148-V152 HydrophobicContact CG-CB 4.32Å; Y148-V152 HydrophobicContact CG-CG2 4.26Å; Y148-V152 WeakPolarHBondContact O-CA 3.49Å; Y148-V152 WeakPolarHBondContact O-CB 3.26Å; Y148-V152 PolarHBondContact O-N 2.98Å; Y148-Q153 HydrophobicContact CE1-CG 4.03Å; Y148-Q153 PolarHBondContact O-N 3.32Å
149L89.6Confident89Confident0 Ų040 Ų400%020%0.196CC..Iπ-helixtrans-60.6-46.2178.5-70166.4000112I6 I25 M27 L145 I146 Q153 R154 S155 F157I6-L149 HydrophobicContact CD1-CD2 3.45Å; I6-L149 VanDerWaalsContact CD1-CD2 3.45Å; I25-L149 HydrophobicContact CD1-CD1 4.47Å; I25-L149 HydrophobicContact CG2-CD1 3.79Å; M27-L149 HydrophobicContact SD-CD2 3.9Å; L145-L149 HydrophobicContact CD1-CD1 4.49Å; L145-L149 HydrophobicContact CG-CD1 4.19Å; L145-L149 VanDerWaalsContact O-CG 3.32Å; L145-L149 WeakPolarHBondContact O-CG 3.41Å; L145-L149 PolarHBondContact O-N 2.89Å; I146-L149 HydrophobicContact CD1-CD1 4.08Å; I146-L149 PolarHBondContact O-N 3.46Å; L149-Q153 CarbonylContact O-C 3.57Å; L149-Q153 WeakPolarHBondContact O-CB 3.22Å; L149-Q153 PolarHBondContact O-N 3.27Å; L149-R154 PolarHBondContact O-N 2.9Å; L149-S155 PolarHBondContact O-N 3.27Å; L149-F157 HydrophobicContact CB-CE2 4.19Å; L149-F157 HydrophobicContact CD1-CE2 4.01Å; L149-F157 HydrophobicContact CD1-CZ 4.11Å
150E89.1Confident88.8Confident42 Ų4244.2 Ų44.220%0.19621%0.214CC..Iπ-helixtrans-71.5-43.8-176.7-68.6-177.3163.200111.8R119 I146 Y148 R154 L156R119-E150 IonicContact CZ-OE1 2.79Å; R119-E150 IonicContact CZ-OE2 3.45Å; R119-E150 IonicContact NH1-OE2 3.16Å; R119-E150 IonicContact NH2-OE1 2.99Å; R119-E150 PolarHBondContact NH2-OE1 2.9Å; R119-E150 IonicContact NH2-OE2 3.17Å; R119-E150 PolarHBondContact NH2-OE2 2.85Å; I146-E150 HydrophobicContact CG2-CG 4.09Å; I146-E150 WeakPolarHBondContact O-CG 3.43Å; I146-E150 PolarHBondContact O-N 3.28Å; Y148-E150 PolarHBondContact O-N 2.94Å; E150-R154 WeakPolarHBondContact O-CA 3.37Å; E150-L156 HydrophobicContact CB-CD2 4.29Å; E150-L156 HydrophobicContact CG-CD2 4.18Å
151K88.8Confident88.5Confident140 Ų14044.3 Ų44.361%0.60921%0.214SC*.Iπ-helixtrans-87.1-42.2-174.8-66.7177.2179.3159.80113.7D147D147-K151 VanDerWaalsContact O-CB 3.27Å; D147-K151 WeakPolarHBondContact O-CB 3.3Å; D147-K151 WeakPolarHBondContact O-CG 3.44Å; D147-K151 PolarHBondContact O-N 3.42Å; D147-K151 WeakPolarHBondContact OD1-CD 3.43Å; D147-K151 WeakPolarHBondContact OD1-CE 3.36Å; D147-K151 IonicContact OD1-NZ 3.96Å; D147-K151 PolarHBondContact OD1-NZ 3.15Å; D147-K151 IonicContact OD2-NZ 3.83Å; D147-K151 PolarHBondContact OD2-NZ 3.16Å
152V86Confident88.1Confident90 Ų9044.3 Ų44.355%0.54521%0.214SC..Iπ-helixtrans-91.7-52.3-172.6-174.10000110.5Y148 R154Y148-V152 HydrophobicContact CD2-CB 3.95Å; Y148-V152 HydrophobicContact CD2-CG1 4.4Å; Y148-V152 HydrophobicContact CD2-CG2 3.64Å; Y148-V152 HydrophobicContact CE2-CB 3.88Å; Y148-V152 HydrophobicContact CE2-CG1 3.81Å; Y148-V152 HydrophobicContact CE2-CG2 3.86Å; Y148-V152 HydrophobicContact CG-CB 4.32Å; Y148-V152 HydrophobicContact CG-CG2 4.26Å; Y148-V152 WeakPolarHBondContact O-CA 3.49Å; Y148-V152 WeakPolarHBondContact O-CB 3.26Å; Y148-V152 PolarHBondContact O-N 2.98Å; V152-R154 VanDerWaalsContact C-N 3.35Å
153Q81.3Confident87.8Confident50 Ų5045.7 Ų45.723%0.23422%0.219CC..Iπ-helixtrans-82.5-11.9179.3-67.2-142.8-6.700114Y148 L149 S155Y148-Q153 HydrophobicContact CE1-CG 4.03Å; Y148-Q153 PolarHBondContact O-N 3.32Å; L149-Q153 CarbonylContact O-C 3.57Å; L149-Q153 WeakPolarHBondContact O-CB 3.22Å; L149-Q153 PolarHBondContact O-N 3.27Å; Q153-S155 PolarHBondContact O-N 3.07Å
154R82.8Confident87.5Confident215 Ų21545.7 Ų45.781%0.81122%0.219SC*.  trans57.831-177.1-56.3-178.1177.3-178.9-0.9113L149 E150 V152L149-R154 PolarHBondContact O-N 2.9Å; E150-R154 WeakPolarHBondContact O-CA 3.37Å; V152-R154 VanDerWaalsContact C-N 3.35Å
155S81.3Confident87Confident31 Ų3148 Ų4822%0.21723%0.233CC..  trans-92.9102.3175.5-63.50000108.3L149 Q153L149-S155 PolarHBondContact O-N 3.27Å; Q153-S155 PolarHBondContact O-N 3.07Å
156L83.3Confident86.5Confident70 Ų7050.5 Ų50.537%0.36624%0.243SC..EExtended strand (participates in β ladder)trans-93.4140.1175.2-65.7171.5000109.8E150 G276 E277E150-L156 HydrophobicContact CB-CD2 4.29Å; E150-L156 HydrophobicContact CG-CD2 4.18Å; L156-G276 WeakPolarHBondContact O-CA 3.4Å; L156-E277 HydrophobicContact CB-CB 4.1Å; L156-E277 PolarHBondContact O-N 3.3Å
157F83.8Confident85.7Confident19 Ų1952.6 Ų52.68%0.08325%0.252CS..EExtended strand (participates in β ladder)trans-110.3138.2178.8-55.6-73.9000110.2I25 M27 L149 M162 I275I25-F157 HydrophobicContact CD1-CZ 4.33Å; M27-F157 HydrophobicContact CE-CE1 4.34Å; M27-F157 HydrophobicContact CE-CZ 4.23Å; M27-F157 HydrophobicContact SD-CZ 4.24Å; L149-F157 HydrophobicContact CB-CE2 4.19Å; L149-F157 HydrophobicContact CD1-CE2 4.01Å; L149-F157 HydrophobicContact CD1-CZ 4.11Å; F157-M162 HydrophobicContact CB-CE 4.26Å; F157-M162 HydrophobicContact CD1-CE 3.32Å; F157-M162 HydrophobicContact CD2-CE 3.82Å; F157-M162 HydrophobicContact CE1-CE 3.43Å; F157-M162 VanDerWaalsContact CE1-CE 3.43Å; F157-M162 HydrophobicContact CE2-CE 3.92Å; F157-M162 HydrophobicContact CG-CE 3.52Å; F157-M162 HydrophobicContact CZ-CE 3.74Å; F157-I275 HydrophobicContact CD1-CG2 4.02Å
158I82.2Confident84.4Confident13 Ų1353 Ų537%0.06727%0.266CS..  trans-60.3136.2173.7-67.3162.6000108.8K160 S161 C274 I275 E277 R485I158-K160 PolarHBondContact O-N 2.63Å; I158-S161 WeakPolarHBondContact O-CB 3.39Å; I158-S161 PolarHBondContact O-N 3.28Å; I158-S161 PolarHBondContact O-OG 3.17Å; I158-C274 WeakPolarHBondContact CD1-O 3.36Å; I158-I275 WeakPolarHBondContact CB-O 3.41Å; I158-I275 WeakPolarHBondContact CD1-O 3.3Å; I158-I275 VanDerWaalsContact CG1-O 3.24Å; I158-I275 WeakPolarHBondContact CG1-O 3.17Å; I158-I275 PolarHBondContact N-O 3.19Å; I158-E277 HydrophobicContact CG1-CG 3.73Å; I158-R485 VanDerWaalsContact CD1-CZ 3.5Å; I158-R485 VanDerWaalsContact CG2-NH1 3.33Å
159P85.1Confident82.7Confident76 Ų7654 Ų5449%0.49428%0.278SS..THydrogen-bonded Turntrans-56.3141.7175-25.834.7000111.7R119 S161R119-P159 WeakPolarHBondContact O-CA 3.38Å; P159-S161 VanDerWaalsContact C-N 3.31Å; P159-S161 PolarHBondContact O-N 3.42Å
160K86.5Confident81Confident98 Ų9862.1 Ų62.143%0.42632%0.316SS..THydrogen-bonded Turntrans53.939.2179.4-55.3175.7166.3-172.10115.2R119 I120 C121 L122 E123 I158R119-K160 PolarHBondContact O-N 3.39Å; I120-K160 CarbonylContact O-C 3.58Å; I120-K160 WeakPolarHBondContact O-CA 3.46Å; C121-K160 VanDerWaalsContact O-CA 3.31Å; C121-K160 WeakPolarHBondContact O-CA 3.43Å; L122-K160 WeakPolarHBondContact CD2-O 3.25Å; E123-K160 HydrophobicContact CG-CB 4.43Å; E123-K160 HydrophobicContact CG-CD 3.81Å; E123-K160 HydrophobicContact CG-CG 4.49Å; E123-K160 WeakPolarHBondContact OE1-CD 3.43Å; E123-K160 IonicContact OE1-NZ 3.87Å; E123-K160 PolarHBondContact OE1-NZ 2.98Å; I158-K160 PolarHBondContact O-N 2.63Å
161S86.5Confident79.4Confident13 Ų1369 Ų699%0.09134%0.34CS..  trans-119.4-14.2-177.666.90000114.1I120 I158 P159 I275 Y492I120-S161 PolarHBondContact O-N 2.87Å; I120-S161 VanDerWaalsContact O-N 3.08Å; I158-S161 WeakPolarHBondContact O-CB 3.39Å; I158-S161 PolarHBondContact O-N 3.28Å; I158-S161 PolarHBondContact O-OG 3.17Å; P159-S161 VanDerWaalsContact C-N 3.31Å; P159-S161 PolarHBondContact O-N 3.42Å; S161-I275 WeakPolarHBondContact OG-CG2 3.42Å; S161-Y492 WeakPolarHBondContact O-CE2 3.17Å; S161-Y492 PolarHBondContact O-OH 3.44Å
162M88.3Confident77.8Confident0 Ų063.8 Ų63.80%032%0.321CS..BIsolated β-bridgetrans-97131.1-173.5-169.8173.2-7300111.8I25 P30 L32 I120 L122 F157I25-M162 HydrophobicContact CD1-CE 3.59Å; I25-M162 HydrophobicContact CD1-SD 3.76Å; P30-M162 HydrophobicContact CB-CE 4.37Å; P30-M162 WeakPolarHBondContact O-CG 3.5Å; L32-M162 HydrophobicContact CB-CG 4.45Å; L32-M162 HydrophobicContact CB-SD 3.85Å; I120-M162 HydrophobicContact CB-CB 4.46Å; I120-M162 HydrophobicContact CD1-SD 4.01Å; I120-M162 HydrophobicContact CG1-CB 4.47Å; I120-M162 PolarHBondContact O-N 2.82Å; L122-M162 PolarHBondContact N-O 3.35Å; F157-M162 HydrophobicContact CB-CE 4.26Å; F157-M162 HydrophobicContact CD1-CE 3.32Å; F157-M162 HydrophobicContact CD2-CE 3.82Å; F157-M162 HydrophobicContact CE1-CE 3.43Å; F157-M162 VanDerWaalsContact CE1-CE 3.43Å; F157-M162 HydrophobicContact CE2-CE 3.92Å; F157-M162 HydrophobicContact CG-CE 3.52Å; F157-M162 HydrophobicContact CZ-CE 3.74Å
163R88.6Confident76.4Confident29 Ų2959.6 Ų59.611%0.10930%0.296CS..EExtended strand (participates in β ladder)trans-73.7131.7168.5177.8171-85.4-172.2-2.4109.8V31 L32 L122 V165 Y492 D493 E496V31-R163 WeakPolarHBondContact CA-O 3.24Å; V31-R163 HydrophobicContact CG1-CB 4.48Å; V31-R163 HydrophobicContact CG1-CG 4.21Å; V31-R163 HydrophobicContact CG2-CB 4.33Å; L32-R163 PolarHBondContact N-O 3.44Å; L122-R163 HydrophobicContact CD1-CB 3.87Å; R163-V165 HydrophobicContact CG-CG2 4.15Å; R163-Y492 HydrophobicContact CB-CD1 3.9Å; R163-Y492 HydrophobicContact CB-CD2 4.11Å; R163-Y492 HydrophobicContact CB-CE1 3.84Å; R163-Y492 HydrophobicContact CB-CE2 4.06Å; R163-Y492 HydrophobicContact CB-CG 3.98Å; R163-Y492 PolarHBondContact N-OH 3.13Å; R163-D493 IonicContact CZ-OD1 2.76Å; R163-D493 IonicContact NH1-OD1 2.63Å; R163-D493 PolarHBondContact NH1-OD1 2.95Å; R163-D493 IonicContact NH2-OD1 2.92Å; R163-D493 PolarHBondContact NH2-OD1 3.37Å; R163-D493 IonicContact NH2-OD2 3.61Å; R163-E496 IonicContact NH1-OE2 2.75Å; R163-E496 PolarHBondContact NH1-OE2 3.11Å
164I88.3Confident75.2Confident2 Ų260 Ų601%0.0130%0.299CS..EExtended strand (participates in β ladder)trans-119.2134177.4-52.5-175.4000108.3L32 L34 I117 I120 C121 V128L32-I164 HydrophobicContact CB-CG1 4.19Å; L32-I164 HydrophobicContact CB-CG2 4.46Å; L32-I164 HydrophobicContact CD2-CD1 4.09Å; L32-I164 HydrophobicContact CD2-CG1 4.22Å; L32-I164 HydrophobicContact CD2-CG2 4.3Å; L32-I164 HydrophobicContact CG-CG2 4.43Å; L32-I164 CarbonylContact O-C 3.57Å; L32-I164 WeakPolarHBondContact O-CA 3.22Å; L34-I164 HydrophobicContact CD1-CG2 3.72Å; L34-I164 HydrophobicContact CG-CG2 4.17Å; I117-I164 HydrophobicContact CB-CD1 4.28Å; I117-I164 HydrophobicContact CG1-CD1 4.15Å; I117-I164 HydrophobicContact CG2-CD1 3.85Å; I120-I164 HydrophobicContact CG1-CD1 4.18Å; C121-I164 HydrophobicContact CB-CD1 3.51Å; C121-I164 HydrophobicContact CB-CG1 4.21Å; V128-I164 HydrophobicContact CG1-CG2 4.23Å
165V84.5Confident73.8Confident48 Ų4850.6 Ų50.629%0.29126%0.264SS..EExtended strand (participates in β ladder)trans-130.3126-179.9-178.10000109.3V31 L32 R33 L34 R163 E167V31-V165 HydrophobicContact CG1-CG2 3.9Å; L32-V165 PolarHBondContact O-N 3.35Å; R33-V165 CarbonylContact C-O 3.56Å; R33-V165 WeakPolarHBondContact CA-O 3.38Å; L34-V165 PolarHBondContact N-O 2.9Å; R163-V165 HydrophobicContact CG-CG2 4.15Å; V165-E167 HydrophobicContact CG1-CG 4.21Å
166Y83.8Confident72.3Confident54 Ų5449.3 Ų49.321%0.21226%0.256CS..EExtended strand (participates in β ladder)trans-94.5119.3168.8-179.7-100.2000109.9L34 L132 K135L34-Y166 HydrophobicContact CB-CD2 4.1Å; L34-Y166 CarbonylContact O-C 3.55Å; L34-Y166 WeakPolarHBondContact O-CA 3.44Å; L132-Y166 HydrophobicContact CD2-CD2 3.63Å; L132-Y166 HydrophobicContact CD2-CE2 4.29Å; L132-Y166 HydrophobicContact CD2-CG 4.24Å; K135-Y166 HydrophobicContact CG-CE2 4.28Å
167E76.8Confident70.7Confident44 Ų4447.3 Ų47.321%0.20624%0.244CC..  trans-99104.3-178.5-64.9-177.2178.700110.6R33 L34 K49 V165R33-E167 WeakPolarHBondContact CD-OE1 3.39Å; R33-E167 IonicContact CZ-OE1 3.63Å; R33-E167 IonicContact NE-OE1 2.65Å; R33-E167 IonicContact NH1-OE1 3.06Å; R33-E167 PolarHBondContact NH1-OE1 2.96Å; L34-E167 PolarHBondContact O-N 3.31Å; K49-E167 WeakPolarHBondContact CE-OE2 3.04Å; K49-E167 IonicContact NZ-OE2 2.61Å; K49-E167 PolarHBondContact NZ-OE2 3.36Å; V165-E167 HydrophobicContact CG1-CG 4.21Å
168G63.4Low68.6Low49 Ų4948.5 Ų48.551%0.50525%0.252SS..  trans-65.9141.5169.600000111.7E170G168-E170 VanDerWaalsContact C-N 3.3Å; G168-E170 PolarHBondContact O-N 3.45Å
169S56.2Low66.2Low52 Ų5250 Ų5036%0.36426%0.263SS..SBendtrans-85.58.8-177.6540000114.7
170E54Low63.6Low170 Ų17052.3 Ų52.379%0.79427%0.266SS*.SBendtrans-97.6-12.1-159.8-61.6-173.8173.500116.3G168G168-E170 VanDerWaalsContact C-N 3.3Å; G168-E170 PolarHBondContact O-N 3.45Å
171R56Low60.7Low186 Ų18652.4 Ų52.470%0.70227%0.27SS*.SBendtrans-120.224.4-169.3-64.6-168.7-177.91801.6116R232R171-R232 WeakPolarHBondContact O-CB 3.35Å; R171-R232 PolarHBondContact O-N 2.89Å
172S55.9Low58Low30 Ų3063.1 Ų63.121%0.2131%0.309CS..BIsolated β-bridgetrans-130.9151.7-179.4-53.80000112.5I174 Q229 P230S172-I174 PolarHBondContact O-N 3.27Å; S172-Q229 WeakPolarHBondContact OG-CG 3.4Å; S172-Q229 PolarHBondContact OG-NE2 3.26Å; S172-P230 WeakPolarHBondContact CA-O 3.11Å
173L55.1Low55.1Low3 Ų368.1 Ų68.12%0.01634%0.339CS..  trans-62.2126.5170.2-178.485000109I175 P230 L579 C597 D598 L600L173-I175 HydrophobicContact CD2-CG1 4.17Å; L173-P230 HydrophobicContact CB-CB 4.23Å; L173-P230 HydrophobicContact CB-CG 4.44Å; L173-P230 HydrophobicContact CD2-CB 4.34Å; L173-P230 HydrophobicContact CD2-CG 3.93Å; L173-P230 PolarHBondContact N-O 3.34Å; L173-L579 HydrophobicContact CD2-CD2 3.44Å; L173-L579 VanDerWaalsContact CD2-CD2 3.44Å; L173-C597 HydrophobicContact CD1-CB 3.79Å; L173-C597 WeakPolarHBondContact CD1-O 3.39Å; L173-D598 WeakPolarHBondContact CA-O 2.8Å; L173-L600 HydrophobicContact CD2-CB 4.23Å
174I57.5Low52.5Low58 Ų5867.3 Ų67.330%0.29734%0.34SS..EExtended strand (participates in β ladder)trans-87.8111.1171.3-58.1175.5000107.8S172 G176 D598 Q599 L600S172-I174 PolarHBondContact O-N 3.27Å; I174-G176 PolarHBondContact O-N 3.43Å; I174-G176 VanDerWaalsContact O-N 3.12Å; I174-D598 PolarHBondContact N-O 2.98Å; I174-Q599 HydrophobicContact CB-CG 4.27Å; I174-Q599 VanDerWaalsContact O-CA 3.26Å; I174-Q599 WeakPolarHBondContact O-CA 3.31Å; I174-L600 PolarHBondContact O-N 3.45Å
175I53.5Low50.4Low17 Ų1769 Ų699%0.08735%0.354CS..EExtended strand (participates in β ladder)trans-76.5100.5168-57.5-178000106.9L173 T187 L193 I227 L228 L579L173-I175 HydrophobicContact CD2-CG1 4.17Å; I175-T187 HydrophobicContact CG2-CG2 3.65Å; I175-L193 HydrophobicContact CD1-CD1 3.87Å; I175-I227 WeakPolarHBondContact CD1-O 3.37Å; I175-L228 VanDerWaalsContact CD1-O 3.27Å; I175-L228 WeakPolarHBondContact CD1-O 3.44Å; I175-L579 HydrophobicContact CD1-CD1 4.34Å; I175-L579 HydrophobicContact CD1-CD2 3.63Å; I175-L579 HydrophobicContact CG1-CD2 4.04Å
176G49.8Very low49.3Very low4 Ų466.9 Ų66.94%0.04134%0.341CS..EExtended strand (participates in β ladder)trans-71.8138.9-169.700000113I174 T187 L600I174-G176 PolarHBondContact O-N 3.43Å; I174-G176 VanDerWaalsContact O-N 3.12Å; G176-T187 VanDerWaalsContact O-CB 3.32Å; G176-T187 WeakPolarHBondContact O-CB 3.36Å; G176-T187 PolarHBondContact O-OG1 3.44Å; G176-L600 PolarHBondContact N-O 2.85Å
177R48.2Very low48.4Very low29 Ų2964.3 Ų64.311%0.10933%0.331CS..EExtended strand (participates in β ladder)trans-97110.5167.4-66.4175.488.6145.3-3.7108.5E51 H94 C179 D186E51-R177 IonicContact OE2-CZ 2.89Å; E51-R177 IonicContact OE2-NH1 3.57Å; E51-R177 PolarHBondContact OE2-NH1 3.1Å; H94-R177 PolarHBondContact CD2-NH2 2.72Å; H94-R177 PolarHBondContact NE2-NH2 3.45Å; R177-C179 PolarHBondContact O-N 2.99Å; R177-D186 IonicContact CZ-OD1 3.46Å; R177-D186 IonicContact CZ-OD2 2.89Å; R177-D186 IonicContact NE-OD1 2.65Å; R177-D186 PolarHBondContact NE-OD1 3.2Å; R177-D186 IonicContact NH2-OD1 2.68Å; R177-D186 PolarHBondContact NH2-OD1 3.04Å; R177-D186 IonicContact NH2-OD2 3.42Å; R177-D186 PolarHBondContact NH2-OD2 3.47Å
178V39.8Very low47.9Very low44 Ų4462.7 Ų62.727%0.26733%0.326SS..EExtended strand (participates in β ladder)trans-86.185171.4-179.10000107.6F180 F601V178-F180 HydrophobicContact CG1-CD2 3.6Å; V178-F180 HydrophobicContact CG1-CE2 4.12Å; V178-F180 PolarHBondContact O-N 3.33Å; V178-F601 HydrophobicContact CG2-CB 4.4Å; V178-F601 HydrophobicContact CG2-CD1 3.84Å; V178-F601 HydrophobicContact CG2-CG 4.5Å
179C32Very low48.2Very low43 Ų4364.4 Ų64.429%0.29132%0.319SS..  trans-88.385.5179.5-153.80000109.6R177R177-C179 PolarHBondContact O-N 2.99Å
180F31.3Very low49Very low126 Ų12663 Ų6355%0.55331%0.307SS*.  trans-115.6-2.5169-78.2-72.7000113.4V178 S612V178-F180 HydrophobicContact CG1-CD2 3.6Å; V178-F180 HydrophobicContact CG1-CE2 4.12Å; V178-F180 PolarHBondContact O-N 3.33Å; F180-S612 WeakPolarHBondContact CE1-OG 3.28Å; F180-S612 WeakPolarHBondContact CZ-OG 3.48Å
181L25Very low50Low99 Ų9955.3 Ų55.352%0.51827%0.271SS..SBendtrans-121.7146.7171.4-76166.1000109.1T183 G184L181-T183 CarbonylContact O-C 3.52Å; L181-T183 PolarHBondContact O-N 3.39Å; L181-G184 PolarHBondContact O-N 3.27Å
182R29.2Very low51.1Low239 Ų23947.7 Ų47.790%0.90224%0.243SC*.SBendtrans-63.619.2176.3-138177.3-178.4178.5-0.9114.1
183T28.2Very low52.1Low104 Ų10446.2 Ų46.264%0.63823%0.233SC*.SBendtrans-145.375.6172.855.50000103.5L181 A185L181-T183 CarbonylContact O-C 3.52Å; L181-T183 PolarHBondContact O-N 3.39Å; T183-A185 PolarHBondContact O-N 3.35Å
184G34.5Very low52.9Low13 Ų1346.4 Ų46.413%0.13423%0.234CC..  trans-54.1112.8-174.400000110.5L181 D186L181-G184 PolarHBondContact O-N 3.27Å; G184-D186 PolarHBondContact O-N 2.96Å; G184-D186 VanDerWaalsContact O-N 3.14Å
185A44.6Very low53.4Low36 Ų3644.9 Ų44.930%0.29823%0.227SC..EExtended strand (participates in β ladder)trans-85.593-173.300000108.4T183 T187 H190T183-A185 PolarHBondContact O-N 3.35Å; A185-T187 PolarHBondContact O-N 2.95Å; A185-H190 WeakPolarHBondContact CB-CE1 3.23Å; A185-H190 WeakPolarHBondContact CB-NE2 3.36Å; A185-H190 PolarHBondContact O-CE1 3.5Å
186D61Low53.8Low4 Ų444.7 Ų44.72%0.02123%0.228CC..EExtended strand (participates in β ladder)trans-68124.4-171.2-60.1-28.7000111.6R177 G184 A188 K189 H190R177-D186 IonicContact CZ-OD1 3.46Å; R177-D186 IonicContact CZ-OD2 2.89Å; R177-D186 IonicContact NE-OD1 2.65Å; R177-D186 PolarHBondContact NE-OD1 3.2Å; R177-D186 IonicContact NH2-OD1 2.68Å; R177-D186 PolarHBondContact NH2-OD1 3.04Å; R177-D186 IonicContact NH2-OD2 3.42Å; R177-D186 PolarHBondContact NH2-OD2 3.47Å; G184-D186 PolarHBondContact O-N 2.96Å; G184-D186 VanDerWaalsContact O-N 3.14Å; D186-A188 PolarHBondContact O-N 2.91Å; D186-A188 VanDerWaalsContact O-N 3.13Å; D186-K189 HydrophobicContact CB-CB 4.03Å; D186-K189 HydrophobicContact CB-CD 4.04Å; D186-K189 HydrophobicContact CB-CG 3.93Å; D186-K189 PolarHBondContact O-N 3.44Å; D186-K189 WeakPolarHBondContact OD2-CD 3.41Å; D186-K189 VanDerWaalsContact OD2-CE 3.3Å; D186-K189 WeakPolarHBondContact OD2-CE 3.47Å; D186-K189 IonicContact OD2-NZ 2.6Å; D186-K189 PolarHBondContact OD2-NZ 3.18Å; D186-H190 PolarHBondContact O-N 3.07Å
187T63.9Low54.2Low1 Ų149.4 Ų49.41%0.00625%0.25CC..Hα-helixtrans-53.6-35.6175.2-62.70000111.8I175 G176 A185 H190 L191 S602I175-T187 HydrophobicContact CG2-CG2 3.65Å; G176-T187 VanDerWaalsContact O-CB 3.32Å; G176-T187 WeakPolarHBondContact O-CB 3.36Å; G176-T187 PolarHBondContact O-OG1 3.44Å; A185-T187 PolarHBondContact O-N 2.95Å; T187-H190 PolarHBondContact O-N 3.08Å; T187-L191 HydrophobicContact CG2-CD1 3.9Å; T187-L191 HydrophobicContact CG2-CG 4.4Å; T187-L191 WeakPolarHBondContact O-CB 3.44Å; T187-L191 WeakPolarHBondContact O-CG 3.44Å; T187-L191 PolarHBondContact O-N 3.33Å; T187-S602 VanDerWaalsContact CA-OG 3.3Å; T187-S602 WeakPolarHBondContact CA-OG 3.1Å; T187-S602 WeakPolarHBondContact CB-OG 3.4Å; T187-S602 PolarHBondContact OG1-N 3.37Å; T187-S602 PolarHBondContact OG1-OG 3.08Å; T187-S602 VanDerWaalsContact OG1-OG 3.09Å
188A66.3Low54.5Low10 Ų1056.8 Ų56.88%0.08328%0.283CS..Hα-helixtrans-63.6-43.9174.300000113.3D186 L191 E192 L193 L228D186-A188 PolarHBondContact O-N 2.91Å; D186-A188 VanDerWaalsContact O-N 3.13Å; A188-L191 CarbonylContact O-C 3.48Å; A188-E192 PolarHBondContact O-N 3.49Å; A188-E192 VanDerWaalsContact O-N 3.15Å; A188-L193 HydrophobicContact CB-CD1 3.98Å; A188-L193 HydrophobicContact CB-CG 4.48Å; A188-L193 WeakPolarHBondContact O-CG 3.35Å; A188-L193 PolarHBondContact O-N 3.12Å; A188-L228 HydrophobicContact CB-CD2 4.1Å
189K69.7Low55.2Low84 Ų8458 Ų5837%0.36529%0.29SS..Hα-helixtrans-69.4-39.3176.1-68.9178-177.3152.70111.8D186 L191 E192D186-K189 HydrophobicContact CB-CB 4.03Å; D186-K189 HydrophobicContact CB-CD 4.04Å; D186-K189 HydrophobicContact CB-CG 3.93Å; D186-K189 PolarHBondContact O-N 3.44Å; D186-K189 WeakPolarHBondContact OD2-CD 3.41Å; D186-K189 VanDerWaalsContact OD2-CE 3.3Å; D186-K189 WeakPolarHBondContact OD2-CE 3.47Å; D186-K189 IonicContact OD2-NZ 2.6Å; D186-K189 PolarHBondContact OD2-NZ 3.18Å; K189-L191 VanDerWaalsContact C-N 3.34Å; K189-L191 PolarHBondContact O-N 3.42Å; K189-E192 WeakPolarHBondContact O-CA 3.39Å; K189-E192 PolarHBondContact O-N 2.85Å
190H72.9Confident56Low23 Ų2361.8 Ų61.811%0.10631%0.312CS..Hα-helixtrans-62.1-42.7176.8-72.8161.2000113.1A185 D186 T187 E192 K572 S602 I604A185-H190 WeakPolarHBondContact CB-CE1 3.23Å; A185-H190 WeakPolarHBondContact CB-NE2 3.36Å; A185-H190 PolarHBondContact O-CE1 3.5Å; D186-H190 PolarHBondContact O-N 3.07Å; T187-H190 PolarHBondContact O-N 3.08Å; H190-E192 PolarHBondContact O-N 3.48Å; H190-K572 WeakPolarHBondContact O-CE 3.29Å; H190-K572 PolarHBondContact O-NZ 2.83Å; H190-S602 PolarHBondContact ND1-OG 3.36Å; H190-S602 VanDerWaalsContact ND1-OG 3.11Å; H190-I604 HydrophobicContact CB-CD1 4.29Å
191L76.4Confident56.9Low9 Ų961.2 Ų61.25%0.04731%0.314CS..THydrogen-bonded Turntrans-79.76.3173.8-65176.3000112T187 A188 K189 L193 K572 M576 L579 L600T187-L191 HydrophobicContact CG2-CD1 3.9Å; T187-L191 HydrophobicContact CG2-CG 4.4Å; T187-L191 WeakPolarHBondContact O-CB 3.44Å; T187-L191 WeakPolarHBondContact O-CG 3.44Å; T187-L191 PolarHBondContact O-N 3.33Å; A188-L191 CarbonylContact O-C 3.48Å; K189-L191 VanDerWaalsContact C-N 3.34Å; K189-L191 PolarHBondContact O-N 3.42Å; L191-L193 HydrophobicContact CB-CD2 3.61Å; L191-L193 HydrophobicContact CB-CG 3.78Å; L191-L193 HydrophobicContact CD1-CD2 4.43Å; L191-L193 PolarHBondContact O-N 3.48Å; L191-L193 VanDerWaalsContact O-N 3.08Å; L191-K572 HydrophobicContact CD2-CB 4.33Å; L191-K572 HydrophobicContact CD2-CG 4.31Å; L191-M576 WeakPolarHBondContact O-CE 3.3Å; L191-L579 HydrophobicContact CD1-CD1 3.81Å; L191-L600 HydrophobicContact CD1-CD2 3.77Å
192E78.6Confident58.4Low25 Ų2559.1 Ų59.112%0.11730%0.304CS..THydrogen-bonded Turntrans47.642.3177.6-63.8170.2-152.800111.8A188 K189 H190 I194 T195 M197 S206 L207 L534 K572A188-E192 PolarHBondContact O-N 3.49Å; A188-E192 VanDerWaalsContact O-N 3.15Å; K189-E192 WeakPolarHBondContact O-CA 3.39Å; K189-E192 PolarHBondContact O-N 2.85Å; H190-E192 PolarHBondContact O-N 3.48Å; E192-I194 PolarHBondContact O-N 2.92Å; E192-T195 WeakPolarHBondContact CA-O 3.42Å; E192-M197 HydrophobicContact CG-CG 4.44Å; E192-S206 WeakPolarHBondContact O-CA 3.36Å; E192-S206 VanDerWaalsContact O-CB 3.28Å; E192-S206 WeakPolarHBondContact O-CB 3.47Å; E192-L207 PolarHBondContact O-N 3.16Å; E192-L534 HydrophobicContact CB-CD1 4.48Å; E192-K572 IonicContact OE1-NZ 3.7Å; E192-K572 PolarHBondContact OE1-NZ 3.1Å
193L76.5Confident59.8Low0 Ų048.2 Ų48.20%026%0.263CS..SBendtrans-68.7-35.9-171-64.6-173.9000112.3I175 A188 L191 L207 F208 I227 L579I175-L193 HydrophobicContact CD1-CD1 3.87Å; A188-L193 HydrophobicContact CB-CD1 3.98Å; A188-L193 HydrophobicContact CB-CG 4.48Å; A188-L193 WeakPolarHBondContact O-CG 3.35Å; A188-L193 PolarHBondContact O-N 3.12Å; L191-L193 HydrophobicContact CB-CD2 3.61Å; L191-L193 HydrophobicContact CB-CG 3.78Å; L191-L193 HydrophobicContact CD1-CD2 4.43Å; L191-L193 PolarHBondContact O-N 3.48Å; L191-L193 VanDerWaalsContact O-N 3.08Å; L193-L207 HydrophobicContact CD2-CB 4.4Å; L193-L207 HydrophobicContact CD2-CD2 3.74Å; L193-F208 WeakPolarHBondContact O-CB 3.34Å; L193-F208 PolarHBondContact O-N 3.43Å; L193-I227 HydrophobicContact CB-CG2 3.77Å; L193-I227 HydrophobicContact CD1-CG2 4.16Å; L193-I227 HydrophobicContact CD2-CG2 4.4Å; L193-I227 HydrophobicContact CG-CG2 4.32Å; L193-L579 HydrophobicContact CD1-CD1 3.69Å; L193-L579 HydrophobicContact CD2-CD1 3.52Å; L193-L579 HydrophobicContact CG-CD1 4.25Å
194I72.7Confident61.4Low7 Ų748.6 Ų48.64%0.03626%0.258CS..SBendtrans-124.1-45.9-175-65.8-180000111E57 E192 S206 R224 L228E57-I194 HydrophobicContact CB-CG2 4.48Å; E57-I194 WeakPolarHBondContact OE2-CG2 3.39Å; E192-I194 PolarHBondContact O-N 2.92Å; I194-S206 VanDerWaalsContact C-OG 3.28Å; I194-S206 WeakPolarHBondContact O-CB 3.32Å; I194-S206 PolarHBondContact O-OG 2.67Å; I194-R224 HydrophobicContact CD1-CG 3.96Å; I194-L228 HydrophobicContact CD1-CD1 3.52Å; I194-L228 HydrophobicContact CD1-CD2 3.59Å; I194-L228 HydrophobicContact CD1-CG 3.6Å; I194-L228 HydrophobicContact CG1-CD2 4.39Å
195T66.4Low63.2Low25 Ų2550.2 Ų50.215%0.15327%0.267CS..SBendtrans-121.9147.1177.440.40000111.7E57 E192E57-T195 HydrophobicContact CG-CG2 4.32Å; E57-T195 WeakPolarHBondContact OE1-CG2 3.35Å; E57-T195 WeakPolarHBondContact OE2-CG2 3.38Å; E192-T195 WeakPolarHBondContact CA-O 3.42Å
196S62.6Low65Low14 Ų1448.5 Ų48.510%0.09825%0.252CS..  trans-79.4141.1173.9-172.80000110.4K198S196-K198 VanDerWaalsContact C-N 3.33Å; S196-K198 PolarHBondContact OG-N 3.18Å
197M59.1Low66.2Low102 Ų10248.3 Ų48.350%0.50225%0.251SS..SBendtrans-75.6-19.9172.3-72.6-165.3-71.500113.5E192E192-M197 HydrophobicContact CG-CG 4.44Å
198K53.5Low67.2Low184 Ų18448.2 Ų48.280%0.825%0.251SS*.SBendtrans-91.1-29.7-172.6-70.8-176.7-179.6176.30113.6S196S196-K198 VanDerWaalsContact C-N 3.33Å; S196-K198 PolarHBondContact OG-N 3.18Å
199V54.4Low68Low71 Ų7148.9 Ų48.943%0.4326%0.259SS..SBendtrans-128.9106.7-177.6-172.40000106.8D201 N202V199-D201 PolarHBondContact O-N 3.3Å; V199-N202 HydrophobicContact CB-CB 3.94Å; V199-N202 HydrophobicContact CG1-CB 3.6Å; V199-N202 PolarHBondContact O-N 2.89Å
200V49.4Very low68.9Low122 Ų12245.6 Ų45.674%0.73925%0.245SC*.THydrogen-bonded Turntrans-54.6130.8176.3-176.50000108.3N202V200-N202 VanDerWaalsContact C-N 3.29Å; V200-N202 PolarHBondContact O-N 3.33Å
201D49.6Very low69.7Low113 Ų11344.5 Ų44.560%0.60424%0.24SC*.THydrogen-bonded Turntrans63.513.7176.6-51.2-27.1000117.5V199 V203V199-D201 PolarHBondContact O-N 3.3Å; D201-V203 PolarHBondContact O-N 3.38Å
202N56.6Low70.3Confident56 Ų5645.5 Ų45.530%0.29925%0.246SC..  trans-95.691.6174.9-157.9-2.3000112.7V199 V200 E204 C205V199-N202 HydrophobicContact CB-CB 3.94Å; V199-N202 HydrophobicContact CG1-CB 3.6Å; V199-N202 PolarHBondContact O-N 2.89Å; V200-N202 VanDerWaalsContact C-N 3.29Å; V200-N202 PolarHBondContact O-N 3.33Å; N202-E204 PolarHBondContact O-N 3.18Å; N202-E204 PolarHBondContact OD1-N 2.94Å; N202-C205 PolarHBondContact O-N 3.49Å
203V57.9Low70.9Confident9 Ų948 Ų486%0.05526%0.257CS..G310 helixtrans-63-28.5179.3-174.60000112.1D201 C205 S206 F208 G209D201-V203 PolarHBondContact O-N 3.38Å; V203-C205 PolarHBondContact O-N 2.81Å; V203-C205 VanDerWaalsContact O-N 3.15Å; V203-S206 PolarHBondContact O-N 3.36Å; V203-S206 PolarHBondContact O-OG 3.35Å; V203-F208 HydrophobicContact CG1-CD1 3.53Å; V203-F208 HydrophobicContact CG1-CE1 3.96Å; V203-G209 VanDerWaalsContact O-CA 3.25Å; V203-G209 WeakPolarHBondContact O-CA 3.5Å
204E63.8Low71.4Confident113 Ų11349.1 Ų49.153%0.52826%0.264SS..G310 helixtrans-65.8-19.8-177.6-64.8-174.2174.100113S61 N202S61-E204 PolarHBondContact OG-OE1 2.87Å; N202-E204 PolarHBondContact O-N 3.18Å; N202-E204 PolarHBondContact OD1-N 2.94Å
205C70.9Confident72.1Confident46 Ų4650.3 Ų50.331%0.31127%0.272SS..G310 helixtrans-9720.4178.2-670000113.8N202 V203N202-C205 PolarHBondContact O-N 3.49Å; V203-C205 PolarHBondContact O-N 2.81Å; V203-C205 VanDerWaalsContact O-N 3.15Å
206S82.7Confident72.9Confident0 Ų049.5 Ų49.50%027%0.267CS..SBendtrans-115.8170.3177.277.40000112.6E192 I194 V203 F208 G209 V210 L534E192-S206 WeakPolarHBondContact O-CA 3.36Å; E192-S206 VanDerWaalsContact O-CB 3.28Å; E192-S206 WeakPolarHBondContact O-CB 3.47Å; I194-S206 VanDerWaalsContact C-OG 3.28Å; I194-S206 WeakPolarHBondContact O-CB 3.32Å; I194-S206 PolarHBondContact O-OG 2.67Å; V203-S206 PolarHBondContact O-N 3.36Å; V203-S206 PolarHBondContact O-OG 3.35Å; S206-F208 VanDerWaalsContact C-N 3.28Å; S206-F208 PolarHBondContact O-N 2.94Å; S206-F208 PolarHBondContact OG-N 3.49Å; S206-G209 PolarHBondContact O-N 3.33Å; S206-G209 PolarHBondContact OG-N 3.11Å; S206-G209 VanDerWaalsContact OG-N 3.14Å; S206-V210 WeakPolarHBondContact O-CG2 3.21Å; S206-V210 PolarHBondContact O-N 2.9Å; S206-L534 VanDerWaalsContact C-CD2 3.43Å; S206-L534 WeakPolarHBondContact O-CD2 3.49Å
207L85.5Confident73.6Confident0 Ų051.1 Ų51.10%027%0.271CS..Hα-helixtrans-60.8-40.9176.3-173.964.7000111.1E192 L193 V210 L211 I227 P533 L580E192-L207 PolarHBondContact O-N 3.16Å; L193-L207 HydrophobicContact CD2-CB 4.4Å; L193-L207 HydrophobicContact CD2-CD2 3.74Å; L207-V210 PolarHBondContact O-N 3.33Å; L207-L211 HydrophobicContact CD1-CD1 4.18Å; L207-L211 HydrophobicContact CD1-CG 4.37Å; L207-L211 HydrophobicContact CD2-CD1 4.5Å; L207-L211 HydrophobicContact CG-CD1 3.88Å; L207-L211 HydrophobicContact CG-CG 4.44Å; L207-L211 WeakPolarHBondContact O-CB 3.35Å; L207-L211 VanDerWaalsContact O-CG 3.25Å; L207-L211 WeakPolarHBondContact O-CG 3.34Å; L207-L211 PolarHBondContact O-N 3.24Å; L207-I227 HydrophobicContact CD2-CG2 4.45Å; L207-P533 HydrophobicContact CD1-CB 3.98Å; L207-P533 HydrophobicContact CD1-CG 4.48Å; L207-L580 HydrophobicContact CD1-CD1 4.43Å; L207-L580 HydrophobicContact CD1-CD2 4.26Å; L207-L580 HydrophobicContact CD1-CG 4.48Å
208F84.9Confident74.5Confident0 Ų046.4 Ų46.40%025%0.249CC..Hα-helixtrans-58.5-49.3173.2176.8-100.5000111.5V58 L193 V203 S206 V210 L211 N212 L223 R224 I227V58-F208 HydrophobicContact CG1-CZ 4.16Å; L193-F208 WeakPolarHBondContact O-CB 3.34Å; L193-F208 PolarHBondContact O-N 3.43Å; V203-F208 HydrophobicContact CG1-CD1 3.53Å; V203-F208 HydrophobicContact CG1-CE1 3.96Å; S206-F208 VanDerWaalsContact C-N 3.28Å; S206-F208 PolarHBondContact O-N 2.94Å; S206-F208 PolarHBondContact OG-N 3.49Å; F208-V210 VanDerWaalsContact C-N 3.3Å; F208-V210 PolarHBondContact O-N 2.83Å; F208-L211 PolarHBondContact O-N 2.97Å; F208-L211 VanDerWaalsContact O-N 3.15Å; F208-N212 HydrophobicContact CE1-CB 4.28Å; F208-N212 WeakPolarHBondContact CE1-ND2 3.34Å; F208-N212 HydrophobicContact CE2-CB 4.4Å; F208-N212 HydrophobicContact CZ-CB 4.21Å; F208-N212 WeakPolarHBondContact CZ-ND2 3.48Å; F208-N212 WeakPolarHBondContact O-CB 3.32Å; F208-N212 PolarHBondContact O-N 3.41Å; F208-L223 HydrophobicContact CD2-CD2 4.11Å; F208-L223 HydrophobicContact CD2-CG 4.08Å; F208-L223 HydrophobicContact CE2-CB 4.32Å; F208-L223 HydrophobicContact CE2-CD2 3.98Å; F208-L223 HydrophobicContact CE2-CG 4.08Å; F208-R224 HydrophobicContact CD2-CB 4.13Å; F208-R224 HydrophobicContact CE2-CB 3.88Å; F208-I227 HydrophobicContact CB-CD1 3.79Å; F208-I227 HydrophobicContact CD2-CD1 3.91Å; F208-I227 HydrophobicContact CG-CD1 4.36Å
209G84Confident75.9Confident23 Ų2337.6 Ų37.624%0.23721%0.211CC..Hα-helixtrans-58.4-40.5178.400000113.3V203 S206V203-G209 VanDerWaalsContact O-CA 3.25Å; V203-G209 WeakPolarHBondContact O-CA 3.5Å; S206-G209 PolarHBondContact O-N 3.33Å; S206-G209 PolarHBondContact OG-N 3.11Å; S206-G209 VanDerWaalsContact OG-N 3.14Å
210V87.9Confident77.2Confident15 Ų1534.5 Ų34.59%0.09119%0.193CC..Hα-helixtrans-69.3-31.8178.2167.50000113S206 L207 F208 F213 R510 L534 C537S206-V210 WeakPolarHBondContact O-CG2 3.21Å; S206-V210 PolarHBondContact O-N 2.9Å; L207-V210 PolarHBondContact O-N 3.33Å; F208-V210 VanDerWaalsContact C-N 3.3Å; F208-V210 PolarHBondContact O-N 2.83Å; V210-F213 WeakPolarHBondContact O-CE2 2.89Å; V210-R510 WeakPolarHBondContact O-CD 3.42Å; V210-R510 PolarHBondContact O-NE 3.49Å; V210-L534 HydrophobicContact CB-CD2 4.05Å; V210-L534 HydrophobicContact CG2-CD2 3.48Å; V210-L534 VanDerWaalsContact CG2-CD2 3.48Å; V210-C537 HydrophobicContact CG1-CB 4.25Å; V210-C537 WeakPolarHBondContact CG1-SG 3.39Å
211L90.7Very high78.5Confident0 Ų031.1 Ų31.10%017%0.166CC..Hα-helixtrans-88.9-20.9-179.3-67.7174.3000113.6L207 F208 F213 L223 I227 S506 L507 R510 W516 L580 M583L207-L211 HydrophobicContact CD1-CD1 4.18Å; L207-L211 HydrophobicContact CD1-CG 4.37Å; L207-L211 HydrophobicContact CD2-CD1 4.5Å; L207-L211 HydrophobicContact CG-CD1 3.88Å; L207-L211 HydrophobicContact CG-CG 4.44Å; L207-L211 WeakPolarHBondContact O-CB 3.35Å; L207-L211 VanDerWaalsContact O-CG 3.25Å; L207-L211 WeakPolarHBondContact O-CG 3.34Å; L207-L211 PolarHBondContact O-N 3.24Å; F208-L211 PolarHBondContact O-N 2.97Å; F208-L211 VanDerWaalsContact O-N 3.15Å; L211-F213 WeakPolarHBondContact O-CD2 3.39Å; L211-F213 PolarHBondContact O-N 3.44Å; L211-F213 VanDerWaalsContact O-N 3.13Å; L211-L223 HydrophobicContact CB-CD1 4.24Å; L211-L223 HydrophobicContact CB-CD2 4.16Å; L211-L223 HydrophobicContact CD1-CD1 4.42Å; L211-I227 HydrophobicContact CD1-CD1 4.02Å; L211-I227 HydrophobicContact CD1-CG1 4.29Å; L211-S506 PolarHBondContact O-OG 3.42Å; L211-L507 HydrophobicContact CD2-CD2 4.22Å; L211-R510 HydrophobicContact CD2-CB 4.39Å; L211-R510 HydrophobicContact CD2-CG 4.01Å; L211-W516 HydrophobicContact CD2-CH2 3.91Å; L211-W516 HydrophobicContact CD2-CZ3 3.76Å; L211-L580 HydrophobicContact CD1-CD2 3.7Å; L211-L580 HydrophobicContact CD2-CD2 3.93Å; L211-L580 HydrophobicContact CG-CD2 4.36Å; L211-M583 HydrophobicContact CD1-CE 4.12Å
212N88.9Confident80Confident31 Ų3128.3 Ų28.317%0.16615%0.15CC..  trans-82.891.9-167-173.911.5000113.4F208 T214 L223F208-N212 HydrophobicContact CE1-CB 4.28Å; F208-N212 WeakPolarHBondContact CE1-ND2 3.34Å; F208-N212 HydrophobicContact CE2-CB 4.4Å; F208-N212 HydrophobicContact CZ-CB 4.21Å; F208-N212 WeakPolarHBondContact CZ-ND2 3.48Å; F208-N212 WeakPolarHBondContact O-CB 3.32Å; F208-N212 PolarHBondContact O-N 3.41Å; N212-T214 WeakPolarHBondContact OD1-CB 3.39Å; N212-T214 PolarHBondContact OD1-N 3.1Å; N212-T214 VanDerWaalsContact OD1-N 3.15Å; N212-T214 PolarHBondContact OD1-OG1 3.5Å; N212-L223 HydrophobicContact CB-CD2 3.85Å
213F90.5Very high81.4Confident77 Ų7725.6 Ų25.634%0.33814%0.136SC..  trans-107.415166.3-62.6-84.4000111.8V210 L211 S506 T509 R510 L513V210-F213 WeakPolarHBondContact O-CE2 2.89Å; L211-F213 WeakPolarHBondContact O-CD2 3.39Å; L211-F213 PolarHBondContact O-N 3.44Å; L211-F213 VanDerWaalsContact O-N 3.13Å; F213-S506 PolarHBondContact N-OG 3.39Å; F213-T509 HydrophobicContact CB-CG2 4.12Å; F213-T509 HydrophobicContact CD1-CG2 3.95Å; F213-T509 HydrophobicContact CD2-CG2 4.19Å; F213-T509 HydrophobicContact CG-CG2 3.78Å; F213-R510 HydrophobicContact CD2-CB 4.5Å; F213-R510 HydrophobicContact CE2-CB 4.24Å; F213-R510 VanDerWaalsContact CE2-NE 3.3Å; F213-L513 HydrophobicContact CE1-CD1 4.17Å; F213-L513 HydrophobicContact CZ-CD1 4.22Å
214T88.4Confident82.4Confident24 Ų2425.8 Ų25.815%0.14714%0.136CC..  trans-65.3143-17763.80000110.9N212 A220 L223 D502 S506N212-T214 WeakPolarHBondContact OD1-CB 3.39Å; N212-T214 PolarHBondContact OD1-N 3.1Å; N212-T214 VanDerWaalsContact OD1-N 3.15Å; N212-T214 PolarHBondContact OD1-OG1 3.5Å; T214-A220 WeakPolarHBondContact OG1-CA 3.29Å; T214-A220 VanDerWaalsContact OG1-CB 3.32Å; T214-A220 WeakPolarHBondContact OG1-CB 3.48Å; T214-A220 PolarHBondContact OG1-N 3.19Å; T214-L223 HydrophobicContact CG2-CB 4.48Å; T214-L223 HydrophobicContact CG2-CD2 4.25Å; T214-D502 WeakPolarHBondContact CA-OD1 3.41Å; T214-D502 WeakPolarHBondContact CB-OD2 3.39Å; T214-S506 PolarHBondContact N-OG 3.3Å
215C87.1Confident82.9Confident31 Ų3122 Ų2221%0.20912%0.123CC..SBendtrans-99.1-18.8180-72.30000112.6R265 D502C215-R265 HydrophobicContact CB-CG 4.32Å; C215-R265 WeakPolarHBondContact O-CD 3.31Å; C215-R265 WeakPolarHBondContact O-CG 3.3Å; C215-R265 PolarHBondContact O-NE 2.95Å; C215-D502 PolarHBondContact N-OD1 3.21Å; C215-D502 PolarHBondContact N-OD2 2.7Å
216T82.5Confident83.3Confident8 Ų820.6 Ų20.65%0.04911%0.114CC..SBendtrans-116.4152.3-17473.90000110.9G219 A220 R265 I498 D502T216-G219 PolarHBondContact O-N 3.05Å; T216-G219 PolarHBondContact OG1-N 3.2Å; T216-A220 PolarHBondContact O-N 3.12Å; T216-A220 VanDerWaalsContact O-N 3.13Å; T216-R265 HydrophobicContact CG2-CG 4.3Å; T216-I498 HydrophobicContact CG2-CG2 3.8Å; T216-D502 WeakPolarHBondContact CA-OD2 3.39Å; T216-D502 VanDerWaalsContact CB-OD2 3.31Å; T216-D502 WeakPolarHBondContact CB-OD2 3.2Å; T216-D502 HydrophobicContact CG2-CB 4.33Å; T216-D502 WeakPolarHBondContact CG2-OD2 3.4Å; T216-D502 PolarHBondContact N-OD2 2.99Å; T216-D502 PolarHBondContact OG1-OD2 2.65Å
217Y78.3Confident83.3Confident48 Ų4820.6 Ų20.619%0.18811%0.114CC..Hα-helixtrans-64.7-42.5176.7-66-79.4000112I63 I65 G219 A220 R221 D266 E268 R269I63-Y217 HydrophobicContact CD1-CE1 4.16Å; I63-Y217 HydrophobicContact CG2-CE1 3.75Å; I65-Y217 HydrophobicContact CD1-CE1 3.86Å; Y217-G219 PolarHBondContact O-N 2.95Å; Y217-A220 WeakPolarHBondContact O-CB 3.33Å; Y217-A220 PolarHBondContact O-N 2.88Å; Y217-R221 WeakPolarHBondContact O-CG 3.22Å; Y217-R221 PolarHBondContact O-N 3.33Å; Y217-D266 WeakPolarHBondContact CE2-OD1 3.36Å; Y217-E268 WeakPolarHBondContact CB-OE2 3.48Å; Y217-R269 PolarHBondContact OH-NH2 3.26Å; Y217-R269 VanDerWaalsContact OH-NH2 3.12Å
218G76.8Confident82.7Confident3 Ų321.3 Ų21.33%0.03112%0.118CC..Hα-helixtrans-60.7-42.2176.900000113.2R221 M222 E268 S499G218-R221 PolarHBondContact O-N 2.98Å; G218-M222 VanDerWaalsContact O-CB 3.29Å; G218-M222 WeakPolarHBondContact O-CB 2.99Å; G218-M222 PolarHBondContact O-N 2.78Å; G218-E268 WeakPolarHBondContact CA-OE1 3.08Å; G218-E268 PolarHBondContact N-OE1 3.1Å; G218-E268 PolarHBondContact N-OE2 3.31Å; G218-S499 WeakPolarHBondContact CA-OG 3.47Å
219G83.4Confident82.1Confident0 Ų023.7 Ų23.70%013%0.129CC..Hα-helixtrans-59.3-46.1172.700000112.4T216 Y217 M222 L223 S499T216-G219 PolarHBondContact O-N 3.05Å; T216-G219 PolarHBondContact OG1-N 3.2Å; Y217-G219 PolarHBondContact O-N 2.95Å; G219-M222 PolarHBondContact O-N 3.19Å; G219-L223 WeakPolarHBondContact O-CB 3.4Å; G219-L223 PolarHBondContact O-N 3.24Å; G219-S499 WeakPolarHBondContact CA-O 3.4Å
220A81.8Confident82Confident6 Ų622.6 Ų22.65%0.0512%0.118CC..Hα-helixtrans-62.2-44.9177.100000112.4V58 T214 T216 Y217 L223 R224V58-A220 HydrophobicContact CG1-CB 3.92Å; T214-A220 WeakPolarHBondContact OG1-CA 3.29Å; T214-A220 VanDerWaalsContact OG1-CB 3.32Å; T214-A220 WeakPolarHBondContact OG1-CB 3.48Å; T214-A220 PolarHBondContact OG1-N 3.19Å; T216-A220 PolarHBondContact O-N 3.12Å; T216-A220 VanDerWaalsContact O-N 3.13Å; Y217-A220 WeakPolarHBondContact O-CB 3.33Å; Y217-A220 PolarHBondContact O-N 2.88Å; A220-L223 PolarHBondContact O-N 3.36Å; A220-R224 PolarHBondContact O-N 2.86Å
221R76.7Confident81.7Confident50 Ų5022.6 Ų22.619%0.18912%0.119CC..Hα-helixtrans-63.4-42.5176.7-70.5-163.7-53.4-77.5-8.2111.2D26 Y217 G218 R224 A225 E268D26-R221 IonicContact OD2-NE 3.97Å; Y217-R221 WeakPolarHBondContact O-CG 3.22Å; Y217-R221 PolarHBondContact O-N 3.33Å; G218-R221 PolarHBondContact O-N 2.98Å; R221-R224 PolarHBondContact O-N 2.73Å; R221-A225 WeakPolarHBondContact O-CB 3.38Å; R221-A225 PolarHBondContact O-N 3.25Å; R221-E268 IonicContact CZ-OE1 3.65Å; R221-E268 IonicContact CZ-OE2 2.6Å; R221-E268 VanDerWaalsContact CZ-OE2 3.24Å; R221-E268 IonicContact NH1-OE1 2.76Å; R221-E268 IonicContact NH1-OE2 3.65Å; R221-E268 PolarHBondContact NH1-OE2 3.35Å; R221-E268 IonicContact NH2-OE1 2.79Å; R221-E268 PolarHBondContact NH2-OE1 3.36Å; R221-E268 IonicContact NH2-OE2 3.98Å; R221-E268 PolarHBondContact NH2-OE2 3.32Å
222M81.3Confident81.3Confident54 Ų5427.4 Ų27.427%0.26614%0.137SC..Hα-helixtrans-65.7-39.2177.7-171.4174.1-67.100112.3G218 G219 A225 S226 S500 F503G218-M222 VanDerWaalsContact O-CB 3.29Å; G218-M222 WeakPolarHBondContact O-CB 2.99Å; G218-M222 PolarHBondContact O-N 2.78Å; G219-M222 PolarHBondContact O-N 3.19Å; M222-A225 PolarHBondContact O-N 3.4Å; M222-S226 VanDerWaalsContact O-CB 3.3Å; M222-S226 WeakPolarHBondContact O-CB 3.46Å; M222-S226 PolarHBondContact O-N 3.21Å; M222-S226 PolarHBondContact O-OG 3.09Å; M222-S500 WeakPolarHBondContact CE-OG 3.34Å; M222-F503 HydrophobicContact CB-CB 4.44Å; M222-F503 HydrophobicContact CG-CB 4.31Å; M222-F503 HydrophobicContact CG-CD1 4.43Å; M222-F503 HydrophobicContact CG-CG 4.29Å; M222-F503 HydrophobicContact SD-CB 4.15Å; M222-F503 HydrophobicContact SD-CD1 4.24Å; M222-F503 HydrophobicContact SD-CG 4.4Å
223L84.7Confident81.1Confident0 Ų028.6 Ų28.60%014%0.143CC..Hα-helixtrans-60.5-49.8172.817660.9000111F208 L211 N212 T214 G219 A220 A225 S226 I227 F503 L507 M583F208-L223 HydrophobicContact CD2-CD2 4.11Å; F208-L223 HydrophobicContact CD2-CG 4.08Å; F208-L223 HydrophobicContact CE2-CB 4.32Å; F208-L223 HydrophobicContact CE2-CD2 3.98Å; F208-L223 HydrophobicContact CE2-CG 4.08Å; L211-L223 HydrophobicContact CB-CD1 4.24Å; L211-L223 HydrophobicContact CB-CD2 4.16Å; L211-L223 HydrophobicContact CD1-CD1 4.42Å; N212-L223 HydrophobicContact CB-CD2 3.85Å; T214-L223 HydrophobicContact CG2-CB 4.48Å; T214-L223 HydrophobicContact CG2-CD2 4.25Å; G219-L223 WeakPolarHBondContact O-CB 3.4Å; G219-L223 PolarHBondContact O-N 3.24Å; A220-L223 PolarHBondContact O-N 3.36Å; L223-A225 PolarHBondContact O-N 3.08Å; L223-S226 PolarHBondContact O-N 2.9Å; L223-I227 HydrophobicContact CD1-CD1 4.29Å; L223-I227 HydrophobicContact CD1-CG1 4.45Å; L223-I227 HydrophobicContact CG-CD1 4.26Å; L223-I227 WeakPolarHBondContact O-CG1 2.99Å; L223-I227 PolarHBondContact O-N 3.43Å; L223-F503 HydrophobicContact CB-CD2 3.91Å; L223-F503 HydrophobicContact CB-CE2 4.41Å; L223-F503 HydrophobicContact CD1-CD2 3.86Å; L223-F503 HydrophobicContact CD1-CE2 3.68Å; L223-F503 HydrophobicContact CG-CD2 4.5Å; L223-L507 HydrophobicContact CD1-CD2 4.08Å; L223-M583 HydrophobicContact CD1-CE 3.94Å
224R79.4Confident81.1Confident13 Ų1328.2 Ų28.25%0.04914%0.144CC..Hα-helixtrans-57.7-49.2177-179.9-174.9171.699.54.6111.3E51 N54 E57 I194 F208 A220 R221 S226 I227 L228E51-R224 PolarHBondContact O-NH2 3.26Å; N54-R224 PolarHBondContact O-NE 3.27Å; N54-R224 PolarHBondContact O-NH2 3.42Å; E57-R224 IonicContact OE2-NH1 2.63Å; I194-R224 HydrophobicContact CD1-CG 3.96Å; F208-R224 HydrophobicContact CD2-CB 4.13Å; F208-R224 HydrophobicContact CE2-CB 3.88Å; A220-R224 PolarHBondContact O-N 2.86Å; R221-R224 PolarHBondContact O-N 2.73Å; R224-S226 VanDerWaalsContact C-N 3.29Å; R224-S226 PolarHBondContact O-N 3.23Å; R224-I227 PolarHBondContact O-N 2.89Å; R224-L228 HydrophobicContact CG-CD1 4.41Å; R224-L228 PolarHBondContact O-N 2.93Å; R224-L228 VanDerWaalsContact O-N 3.14Å
225A73.8Confident81.2Confident32 Ų3230.2 Ų30.226%0.26416%0.159SC..Hα-helixtrans-59.5-41.5177.900000111.5I52 R221 M222 L223 I227 L228 Q229I52-A225 HydrophobicContact CG2-CB 4.06Å; R221-A225 WeakPolarHBondContact O-CB 3.38Å; R221-A225 PolarHBondContact O-N 3.25Å; M222-A225 PolarHBondContact O-N 3.4Å; L223-A225 PolarHBondContact O-N 3.08Å; A225-I227 PolarHBondContact O-N 2.84Å; A225-L228 PolarHBondContact O-N 3.23Å; A225-Q229 WeakPolarHBondContact O-CB 3.38Å; A225-Q229 PolarHBondContact O-N 3.13Å
226S81.1Confident81.3Confident18 Ų1830.6 Ų30.613%0.12616%0.162CC..Hα-helixtrans-66-35178.2-61.60000113M222 L223 R224 Q229 P230 M583M222-S226 VanDerWaalsContact O-CB 3.3Å; M222-S226 WeakPolarHBondContact O-CB 3.46Å; M222-S226 PolarHBondContact O-N 3.21Å; M222-S226 PolarHBondContact O-OG 3.09Å; L223-S226 PolarHBondContact O-N 2.9Å; R224-S226 VanDerWaalsContact C-N 3.29Å; R224-S226 PolarHBondContact O-N 3.23Å; S226-Q229 CarbonylContact O-C 3.57Å; S226-P230 WeakPolarHBondContact O-CA 3.31Å; S226-M583 VanDerWaalsContact O-CG 3.27Å; S226-M583 WeakPolarHBondContact O-CG 3.43Å
227I81.7Confident81.7Confident0 Ų030.2 Ų30.20%016%0.16CC..Hα-helixtrans-66-43.4175-68.5169.6000111.2I175 L193 L207 F208 L211 L223 R224 A225 M583I175-I227 WeakPolarHBondContact CD1-O 3.37Å; L193-I227 HydrophobicContact CB-CG2 3.77Å; L193-I227 HydrophobicContact CD1-CG2 4.16Å; L193-I227 HydrophobicContact CD2-CG2 4.4Å; L193-I227 HydrophobicContact CG-CG2 4.32Å; L207-I227 HydrophobicContact CD2-CG2 4.45Å; F208-I227 HydrophobicContact CB-CD1 3.79Å; F208-I227 HydrophobicContact CD2-CD1 3.91Å; F208-I227 HydrophobicContact CG-CD1 4.36Å; L211-I227 HydrophobicContact CD1-CD1 4.02Å; L211-I227 HydrophobicContact CD1-CG1 4.29Å; L223-I227 HydrophobicContact CD1-CD1 4.29Å; L223-I227 HydrophobicContact CD1-CG1 4.45Å; L223-I227 HydrophobicContact CG-CD1 4.26Å; L223-I227 WeakPolarHBondContact O-CG1 2.99Å; L223-I227 PolarHBondContact O-N 3.43Å; R224-I227 PolarHBondContact O-N 2.89Å; A225-I227 PolarHBondContact O-N 2.84Å; I227-M583 HydrophobicContact CB-CE 4.3Å; I227-M583 HydrophobicContact CB-SD 4.19Å; I227-M583 HydrophobicContact CD1-CE 4.37Å; I227-M583 HydrophobicContact CG1-CE 3.31Å; I227-M583 HydrophobicContact CG1-SD 3.63Å
228L72.9Confident82.5Confident14 Ų1430.4 Ų30.47%0.07316%0.164CC..Hα-helixtrans-78.2-29.5-178-71.3176.5000113.2E51 I52 I175 A188 I194 R224 A225E51-L228 HydrophobicContact CG-CD1 4.35Å; I52-L228 HydrophobicContact CB-CD1 4.39Å; I52-L228 HydrophobicContact CD1-CB 4.48Å; I52-L228 HydrophobicContact CG1-CB 3.69Å; I52-L228 HydrophobicContact CG1-CD1 3.86Å; I52-L228 HydrophobicContact CG1-CG 4.46Å; I175-L228 VanDerWaalsContact CD1-O 3.27Å; I175-L228 WeakPolarHBondContact CD1-O 3.44Å; A188-L228 HydrophobicContact CB-CD2 4.1Å; I194-L228 HydrophobicContact CD1-CD1 3.52Å; I194-L228 HydrophobicContact CD1-CD2 3.59Å; I194-L228 HydrophobicContact CD1-CG 3.6Å; I194-L228 HydrophobicContact CG1-CD2 4.39Å; R224-L228 HydrophobicContact CG-CD1 4.41Å; R224-L228 PolarHBondContact O-N 2.93Å; R224-L228 VanDerWaalsContact O-N 3.14Å; A225-L228 PolarHBondContact O-N 3.23Å
229Q72.1Confident83.3Confident50 Ų5033.8 Ų33.823%0.23418%0.181CC..SBendtrans-134.270.5-177.9-169.6175.7-2.500110.9I52 S172 A225 S226I52-Q229 HydrophobicContact CD1-CB 3.84Å; I52-Q229 HydrophobicContact CD1-CG 4.44Å; S172-Q229 WeakPolarHBondContact OG-CG 3.4Å; S172-Q229 PolarHBondContact OG-NE2 3.26Å; A225-Q229 WeakPolarHBondContact O-CB 3.38Å; A225-Q229 PolarHBondContact O-N 3.13Å; S226-Q229 CarbonylContact O-C 3.57Å
230P82.5Confident83.9Confident1 Ų135.4 Ų35.41%0.00619%0.187CC..  trans-58.6150.7175.6-22.532.1000112.2S172 L173 S226 L579 Q582 M583S172-P230 WeakPolarHBondContact CA-O 3.11Å; L173-P230 HydrophobicContact CB-CB 4.23Å; L173-P230 HydrophobicContact CB-CG 4.44Å; L173-P230 HydrophobicContact CD2-CB 4.34Å; L173-P230 HydrophobicContact CD2-CG 3.93Å; L173-P230 PolarHBondContact N-O 3.34Å; S226-P230 WeakPolarHBondContact O-CA 3.31Å; P230-L579 HydrophobicContact CG-CD2 3.64Å; P230-Q582 HydrophobicContact CB-CB 3.67Å; P230-M583 HydrophobicContact CB-CG 4.25Å; P230-M583 HydrophobicContact CG-CG 4.24Å
231S81.1Confident84.6Confident15 Ų1535.1 Ų35.111%0.10519%0.185CC..BIsolated β-bridgetrans-68.3148.4179.8-173.10000110.9D233 Q582S231-D233 PolarHBondContact OG-N 2.94Å; S231-Q582 PolarHBondContact N-O 3.11Å; S231-Q582 PolarHBondContact O-NE2 3.07Å
232R81.7Confident85.5Confident100 Ų10034.6 Ų34.638%0.37719%0.189SC..  trans-104.9-2.8164.6-133.4-169.779.7143.3-2.5112.1R171 L234 L596 D598R171-R232 WeakPolarHBondContact O-CB 3.35Å; R171-R232 PolarHBondContact O-N 2.89Å; R232-L234 PolarHBondContact O-N 3.46Å; R232-L596 HydrophobicContact CG-CD2 4.3Å; R232-L596 HydrophobicContact CG-CG 4.35Å; R232-L596 WeakPolarHBondContact O-CD2 3.18Å; R232-D598 VanDerWaalsContact CD-OD1 3.24Å; R232-D598 WeakPolarHBondContact CD-OD1 3.31Å; R232-D598 IonicContact CZ-OD1 3.33Å; R232-D598 IonicContact NE-OD1 2.73Å; R232-D598 IonicContact NH1-OD1 3.56Å; R232-D598 PolarHBondContact NH1-OD1 3.05Å; R232-D598 IonicContact NH1-OD2 3Å; R232-D598 PolarHBondContact NH1-OD2 3.27Å
233D85.2Confident86.3Confident57 Ų5732 Ų3231%0.30518%0.177SC..  trans-84.9108.5178.2-177.653000110.6S231 S235 S236 I237S231-D233 PolarHBondContact OG-N 2.94Å; D233-S235 VanDerWaalsContact C-N 3.31Å; D233-S235 PolarHBondContact O-N 3.41Å; D233-S235 PolarHBondContact OD1-OG 3.19Å; D233-S235 PolarHBondContact OD2-OG 2.69Å; D233-S236 PolarHBondContact O-N 2.86Å; D233-S236 WeakPolarHBondContact OD2-CB 3.42Å; D233-S236 PolarHBondContact OD2-N 3.44Å; D233-I237 VanDerWaalsContact O-CG1 3.28Å; D233-I237 WeakPolarHBondContact O-CG1 3.36Å; D233-I237 PolarHBondContact O-N 3.29Å
234L90.1Very high86.8Confident69 Ų6932.1 Ų32.136%0.36118%0.177SC..Hα-helixtrans-63.6-35.1-175.8-176.561.8000112.3R232 I237 N238 F521R232-L234 PolarHBondContact O-N 3.46Å; L234-I237 PolarHBondContact O-N 2.88Å; L234-N238 WeakPolarHBondContact O-CB 3.49Å; L234-N238 PolarHBondContact O-N 3.48Å; L234-N238 PolarHBondContact O-ND2 3.37Å; L234-F521 HydrophobicContact CD1-CB 3.64Å; L234-F521 HydrophobicContact CD1-CD1 4.19Å; L234-F521 HydrophobicContact CD1-CD2 3.63Å; L234-F521 HydrophobicContact CD1-CE2 4.35Å; L234-F521 HydrophobicContact CD1-CG 3.54Å
235S90.9Very high87.6Confident65 Ų6536.4 Ų36.446%0.45520%0.198SC..Hα-helixtrans-59.5-54.2173.728.90000111.4D233 I237 N238 D239D233-S235 VanDerWaalsContact C-N 3.31Å; D233-S235 PolarHBondContact O-N 3.41Å; D233-S235 PolarHBondContact OD1-OG 3.19Å; D233-S235 PolarHBondContact OD2-OG 2.69Å; S235-I237 VanDerWaalsContact C-N 3.26Å; S235-I237 PolarHBondContact O-N 3.25Å; S235-N238 PolarHBondContact O-N 2.92Å; S235-N238 VanDerWaalsContact O-N 3.12Å; S235-D239 WeakPolarHBondContact O-CB 3.47Å; S235-D239 VanDerWaalsContact O-CG 3.27Å; S235-D239 PolarHBondContact O-N 2.65Å
236S88.8Confident88.7Confident39 Ų3936.9 Ų36.927%0.27319%0.194SC..Hα-helixtrans-60.6-33.5179.5179.90000113.3D233 R240D233-S236 PolarHBondContact O-N 2.86Å; D233-S236 WeakPolarHBondContact OD2-CB 3.42Å; D233-S236 PolarHBondContact OD2-N 3.44Å; S236-R240 WeakPolarHBondContact O-CG 3.41Å; S236-R240 PolarHBondContact O-N 2.93Å; S236-R240 PolarHBondContact O-NE 3.5Å; S236-R240 VanDerWaalsContact O-NE 3.08Å; S236-R240 PolarHBondContact OG-NH2 3.01Å
237I92.5Very high89.5Confident0 Ų036.1 Ų36.10%019%0.189CC..Hα-helixtrans-68-49.9174.8-65164.1000110D233 L234 S235 D239 R240 L241 F521 A581 Q582 L596D233-I237 VanDerWaalsContact O-CG1 3.28Å; D233-I237 WeakPolarHBondContact O-CG1 3.36Å; D233-I237 PolarHBondContact O-N 3.29Å; L234-I237 PolarHBondContact O-N 2.88Å; S235-I237 VanDerWaalsContact C-N 3.26Å; S235-I237 PolarHBondContact O-N 3.25Å; I237-D239 PolarHBondContact O-N 2.89Å; I237-R240 WeakPolarHBondContact O-CB 3.49Å; I237-R240 PolarHBondContact O-N 3.24Å; I237-L241 HydrophobicContact CG2-CD1 4.04Å; I237-L241 HydrophobicContact CG2-CG 4.41Å; I237-L241 WeakPolarHBondContact O-CG 3.47Å; I237-L241 PolarHBondContact O-N 3.43Å; I237-F521 HydrophobicContact CD1-CZ 4.43Å; I237-F521 HydrophobicContact CG2-CD2 4.49Å; I237-F521 HydrophobicContact CG2-CE2 3.48Å; I237-F521 VanDerWaalsContact CG2-CE2 3.48Å; I237-F521 HydrophobicContact CG2-CZ 3.69Å; I237-A581 WeakPolarHBondContact CG2-O 3.35Å; I237-Q582 HydrophobicContact CD1-CB 4.45Å; I237-Q582 HydrophobicContact CD1-CG 4.36Å; I237-Q582 WeakPolarHBondContact CG1-O 3.42Å; I237-L596 HydrophobicContact CD1-CD1 3.94Å
238N94.8Very high90.1Very high52 Ų5238.7 Ų38.728%0.27820%0.202SC..Hα-helixtrans-64.8-38.2-179-78.6-33.1000112.7L234 S235 R240 L241 S242L234-N238 WeakPolarHBondContact O-CB 3.49Å; L234-N238 PolarHBondContact O-N 3.48Å; L234-N238 PolarHBondContact O-ND2 3.37Å; S235-N238 PolarHBondContact O-N 2.92Å; S235-N238 VanDerWaalsContact O-N 3.12Å; N238-R240 VanDerWaalsContact C-N 3.32Å; N238-R240 PolarHBondContact O-N 2.89Å; N238-L241 PolarHBondContact O-N 3.22Å; N238-S242 WeakPolarHBondContact O-CB 3.38Å; N238-S242 PolarHBondContact O-N 2.94Å; N238-S242 PolarHBondContact O-OG 2.71Å
239D93.3Very high91.1Very high74 Ų7441.4 Ų41.440%0.39623%0.233SC..Hα-helixtrans-60.2-44.5175.7-72.5-22.6000110.9S235 I237 S242 A243 N315 L317S235-D239 WeakPolarHBondContact O-CB 3.47Å; S235-D239 VanDerWaalsContact O-CG 3.27Å; S235-D239 PolarHBondContact O-N 2.65Å; I237-D239 PolarHBondContact O-N 2.89Å; D239-S242 PolarHBondContact O-N 2.89Å; D239-A243 WeakPolarHBondContact O-CB 3.35Å; D239-A243 PolarHBondContact O-N 3.26Å; D239-N315 PolarHBondContact O-ND2 2.84Å; D239-L317 HydrophobicContact CB-CD1 3.79Å; D239-L317 HydrophobicContact CB-CD2 4.44Å; D239-L317 HydrophobicContact CB-CG 3.94Å
240R95Very high92.1Very high34 Ų3441.5 Ų41.513%0.12824%0.236CC..Hα-helixtrans-62.9-45.8174.4-81.1-179.1-92.8-174.9-24.7112.4S236 I237 N238 S242 A243 I244 L317 M583S236-R240 WeakPolarHBondContact O-CG 3.41Å; S236-R240 PolarHBondContact O-N 2.93Å; S236-R240 PolarHBondContact O-NE 3.5Å; S236-R240 VanDerWaalsContact O-NE 3.08Å; S236-R240 PolarHBondContact OG-NH2 3.01Å; I237-R240 WeakPolarHBondContact O-CB 3.49Å; I237-R240 PolarHBondContact O-N 3.24Å; N238-R240 VanDerWaalsContact C-N 3.32Å; N238-R240 PolarHBondContact O-N 2.89Å; R240-S242 VanDerWaalsContact C-N 3.3Å; R240-S242 PolarHBondContact O-N 3.32Å; R240-A243 WeakPolarHBondContact O-CB 3.24Å; R240-A243 PolarHBondContact O-N 3.29Å; R240-A243 VanDerWaalsContact O-N 3.13Å; R240-I244 WeakPolarHBondContact O-CG1 3.49Å; R240-I244 PolarHBondContact O-N 3.46Å; R240-L317 HydrophobicContact CG-CD1 4.11Å; R240-M583 PolarHBondContact NH1-O 2.73Å
241L96.7Very high92.5Very high0 Ų044.9 Ų44.90%026%0.256CS..Hα-helixtrans-59.9-42.7177.1-71.8174.8000111.6I237 N238 A243 I244 E245 P519 F521 G584 F586I237-L241 HydrophobicContact CG2-CD1 4.04Å; I237-L241 HydrophobicContact CG2-CG 4.41Å; I237-L241 WeakPolarHBondContact O-CG 3.47Å; I237-L241 PolarHBondContact O-N 3.43Å; N238-L241 PolarHBondContact O-N 3.22Å; L241-A243 VanDerWaalsContact C-N 3.32Å; L241-A243 PolarHBondContact O-N 3.47Å; L241-I244 PolarHBondContact O-N 3.25Å; L241-E245 PolarHBondContact O-N 2.93Å; L241-P519 HydrophobicContact CD1-CG 3.97Å; L241-P519 HydrophobicContact CD2-CG 3.95Å; L241-F521 HydrophobicContact CD1-CE2 4.05Å; L241-G584 WeakPolarHBondContact CD2-O 3.39Å; L241-F586 HydrophobicContact CD2-CD1 3.83Å; L241-F586 HydrophobicContact CD2-CE1 4.03Å
242S96.6Very high93Very high40 Ų4051 Ų5128%0.2828%0.283SS..Hα-helixtrans-67.4-32.3175.9-61.30000112.5N238 D239 R240 E246 N315 R518N238-S242 WeakPolarHBondContact O-CB 3.38Å; N238-S242 PolarHBondContact O-N 2.94Å; N238-S242 PolarHBondContact O-OG 2.71Å; D239-S242 PolarHBondContact O-N 2.89Å; R240-S242 VanDerWaalsContact C-N 3.3Å; R240-S242 PolarHBondContact O-N 3.32Å; S242-E246 PolarHBondContact O-N 3.44Å; S242-N315 VanDerWaalsContact CB-ND2 3.27Å; S242-N315 WeakPolarHBondContact CB-ND2 3.29Å; S242-R518 VanDerWaalsContact CA-NH1 3.29Å; S242-R518 PolarHBondContact OG-NH1 2.96Å; S242-R518 VanDerWaalsContact OG-NH1 3.1Å; S242-R518 PolarHBondContact OG-NH2 3.43Å; S242-R518 VanDerWaalsContact OG-NH2 3.09Å
243A96.5Very high93.5Very high0 Ų046.5 Ų46.50%027%0.267CS..Hα-helixtrans-68.7-41.817500000111.4D239 R240 L241 E246 L247 N315 L317 F318 I504D239-A243 WeakPolarHBondContact O-CB 3.35Å; D239-A243 PolarHBondContact O-N 3.26Å; R240-A243 WeakPolarHBondContact O-CB 3.24Å; R240-A243 PolarHBondContact O-N 3.29Å; R240-A243 VanDerWaalsContact O-N 3.13Å; L241-A243 VanDerWaalsContact C-N 3.32Å; L241-A243 PolarHBondContact O-N 3.47Å; A243-E246 PolarHBondContact O-N 3.33Å; A243-L247 VanDerWaalsContact O-CG 3.3Å; A243-L247 WeakPolarHBondContact O-CG 3.27Å; A243-L247 PolarHBondContact O-N 2.98Å; A243-N315 PolarHBondContact N-ND2 3.47Å; A243-L317 HydrophobicContact CB-CD1 4.13Å; A243-F318 HydrophobicContact CB-CE1 4.37Å; A243-F318 HydrophobicContact CB-CE2 3.93Å; A243-F318 HydrophobicContact CB-CZ 3.67Å; A243-I504 HydrophobicContact CB-CG2 4.33Å
244I96.9Very high93.9Very high1 Ų144 Ų441%0.00525%0.254CS..Hα-helixtrans-62.3-45.5174-66.5173.8000110.6R240 L241 E246 L247 L248 I504 L507 T508 A511 G584 F586R240-I244 WeakPolarHBondContact O-CG1 3.49Å; R240-I244 PolarHBondContact O-N 3.46Å; L241-I244 PolarHBondContact O-N 3.25Å; I244-E246 VanDerWaalsContact C-N 3.34Å; I244-E246 PolarHBondContact O-N 2.94Å; I244-L247 PolarHBondContact O-N 3.17Å; I244-L248 HydrophobicContact CG2-CD1 4.01Å; I244-L248 HydrophobicContact CG2-CG 4.34Å; I244-L248 WeakPolarHBondContact O-CG 3.31Å; I244-L248 PolarHBondContact O-N 3.25Å; I244-I504 HydrophobicContact CG1-CG2 3.98Å; I244-L507 HydrophobicContact CD1-CB 3.7Å; I244-L507 HydrophobicContact CD1-CD1 4.11Å; I244-T508 HydrophobicContact CG2-CG2 4.49Å; I244-A511 HydrophobicContact CG2-CB 4.42Å; I244-G584 WeakPolarHBondContact CD1-O 3.46Å; I244-F586 HydrophobicContact CB-CD1 4.41Å; I244-F586 HydrophobicContact CB-CE1 3.96Å; I244-F586 HydrophobicContact CB-CZ 4.47Å; I244-F586 HydrophobicContact CG2-CD1 3.88Å; I244-F586 HydrophobicContact CG2-CE1 3.66Å; I244-F586 HydrophobicContact CG2-CE2 4.38Å; I244-F586 HydrophobicContact CG2-CG 4.34Å; I244-F586 HydrophobicContact CG2-CZ 3.93Å
245E96.4Very high94.1Very high103 Ų10344.5 Ų44.548%0.48126%0.257SS..Hα-helixtrans-59.7-43.5179.2-172.7168-154.200112.2L241 L248 G249 R518 F586L241-E245 PolarHBondContact O-N 2.93Å; E245-L248 PolarHBondContact O-N 3.36Å; E245-G249 PolarHBondContact O-N 2.94Å; E245-G249 VanDerWaalsContact O-N 3.12Å; E245-R518 IonicContact OE2-CZ 3.76Å; E245-R518 IonicContact OE2-NE 3.94Å; E245-R518 IonicContact OE2-NH1 2.65Å; E245-R518 PolarHBondContact OE2-NH1 2.9Å; E245-F586 HydrophobicContact CB-CZ 4.08Å
246E96.4Very high94.2Very high43 Ų4344.7 Ų44.720%0.20125%0.253CS..Hα-helixtrans-64-42.5176.2-169.3178.9-165.500112.2S242 A243 I244 L248 G249 N250 F313 Q314 N315S242-E246 PolarHBondContact O-N 3.44Å; A243-E246 PolarHBondContact O-N 3.33Å; I244-E246 VanDerWaalsContact C-N 3.34Å; I244-E246 PolarHBondContact O-N 2.94Å; E246-L248 VanDerWaalsContact C-N 3.33Å; E246-L248 PolarHBondContact O-N 3.27Å; E246-G249 PolarHBondContact O-N 3.47Å; E246-G249 VanDerWaalsContact O-N 3.12Å; E246-N250 PolarHBondContact O-N 3.12Å; E246-F313 HydrophobicContact CG-CD1 3.97Å; E246-F313 WeakPolarHBondContact OE1-CA 3.44Å; E246-Q314 PolarHBondContact OE1-N 2.76Å; E246-Q314 PolarHBondContact OE2-N 3.22Å; E246-N315 WeakPolarHBondContact OE2-CB 3.38Å; E246-N315 PolarHBondContact OE2-N 2.73Å
247L96.4Very high94.4Very high2 Ų242.9 Ų42.91%0.0124%0.24CC..Hα-helixtrans-63.9-36.5177.3-72.5168000112.8A243 I244 G249 N250 C254 L257 F313 F318 I504 L505 T508A243-L247 VanDerWaalsContact O-CG 3.3Å; A243-L247 WeakPolarHBondContact O-CG 3.27Å; A243-L247 PolarHBondContact O-N 2.98Å; I244-L247 PolarHBondContact O-N 3.17Å; L247-G249 VanDerWaalsContact C-N 3.29Å; L247-N250 CarbonylContact O-C 3.57Å; L247-N250 PolarHBondContact O-N 3.14Å; L247-C254 HydrophobicContact CD2-CB 4.21Å; L247-L257 HydrophobicContact CD2-CD1 3.73Å; L247-F313 HydrophobicContact CD2-CD1 4.5Å; L247-F313 HydrophobicContact CD2-CE1 3.64Å; L247-F313 HydrophobicContact CD2-CZ 3.64Å; L247-F318 HydrophobicContact CD1-CE1 4.46Å; L247-F318 HydrophobicContact CD1-CZ 3.72Å; L247-F318 HydrophobicContact CD2-CE2 4.5Å; L247-F318 HydrophobicContact CD2-CZ 4.09Å; L247-F318 HydrophobicContact CG-CE2 4.19Å; L247-F318 HydrophobicContact CG-CZ 3.74Å; L247-I504 HydrophobicContact CD1-CG2 3.72Å; L247-L505 HydrophobicContact CD1-CD2 4.02Å; L247-L505 HydrophobicContact CD2-CD2 4.2Å; L247-T508 HydrophobicContact CB-CG2 3.68Å; L247-T508 HydrophobicContact CD1-CG2 4.41Å; L247-T508 WeakPolarHBondContact CD1-OG1 3.3Å
248L95.2Very high94.4Very high54 Ų5446 Ų4628%0.28325%0.252SS..Hα-helixtrans-66.8-32.5173.9-69.6173.1000111.9I244 E245 E246 T508 A511 E512 F586I244-L248 HydrophobicContact CG2-CD1 4.01Å; I244-L248 HydrophobicContact CG2-CG 4.34Å; I244-L248 WeakPolarHBondContact O-CG 3.31Å; I244-L248 PolarHBondContact O-N 3.25Å; E245-L248 PolarHBondContact O-N 3.36Å; E246-L248 VanDerWaalsContact C-N 3.33Å; E246-L248 PolarHBondContact O-N 3.27Å; L248-T508 HydrophobicContact CD2-CG2 3.78Å; L248-T508 HydrophobicContact CG-CG2 3.98Å; L248-A511 HydrophobicContact CD1-CB 4.16Å; L248-E512 HydrophobicContact CD2-CB 3.69Å; L248-E512 HydrophobicContact CD2-CG 4.33Å; L248-F586 HydrophobicContact CD1-CD2 4.06Å; L248-F586 HydrophobicContact CD1-CE2 3.55Å; L248-F586 HydrophobicContact CD1-CZ 4.14Å
249G93Very high94.2Very high70 Ų7046.4 Ų46.472%0.72226%0.259SS*.Hα-helixtrans-74.3-30.2174.900000114E245 E246 L247E245-G249 PolarHBondContact O-N 2.94Å; E245-G249 VanDerWaalsContact O-N 3.12Å; E246-G249 PolarHBondContact O-N 3.47Å; E246-G249 VanDerWaalsContact O-N 3.12Å; L247-G249 VanDerWaalsContact C-N 3.29Å
250N93.3Very high94.2Very high53 Ų5343.7 Ų43.728%0.28325%0.245SC..  trans-115.276.5-178.7-173.8-0000112.1E246 L247 E252 G253 C254 F313E246-N250 PolarHBondContact O-N 3.12Å; L247-N250 CarbonylContact O-C 3.57Å; L247-N250 PolarHBondContact O-N 3.14Å; N250-E252 VanDerWaalsContact C-N 3.3Å; N250-E252 PolarHBondContact O-N 3.03Å; N250-G253 PolarHBondContact O-N 3.23Å; N250-G253 PolarHBondContact OD1-N 2.64Å; N250-C254 WeakPolarHBondContact O-CB 3.3Å; N250-C254 PolarHBondContact O-N 3.46Å; N250-F313 HydrophobicContact CB-CE1 4.07Å
251V91.3Very high93.9Very high72 Ų7242.1 Ų42.144%0.43624%0.239SC..Hα-helixtrans-59.8-37.2-177.6-178.90000112.6C254 N255V251-C254 PolarHBondContact O-N 3.44Å; V251-N255 PolarHBondContact O-N 2.93Å; V251-N255 PolarHBondContact O-ND2 2.92Å; V251-N255 VanDerWaalsContact O-ND2 3.13Å
252E92.9Very high93.5Very high144 Ų14444.1 Ų44.167%0.67325%0.252SS*.Hα-helixtrans-66.1-49178.9-172.9177.2175.700111.2N250 C254 N255 N256N250-E252 VanDerWaalsContact C-N 3.3Å; N250-E252 PolarHBondContact O-N 3.03Å; E252-C254 VanDerWaalsContact C-N 3.32Å; E252-C254 PolarHBondContact O-N 3.39Å; E252-N255 PolarHBondContact O-N 2.75Å; E252-N256 VanDerWaalsContact O-CG 3.31Å; E252-N256 PolarHBondContact O-N 3.42Å; E252-N256 PolarHBondContact O-ND2 2.69Å
253G92.1Very high92.9Very high4 Ų445.2 Ų45.24%0.04126%0.26CS..Hα-helixtrans-58.8-42.8174.900000112.3N250 N255 N256 L257N250-G253 PolarHBondContact O-N 3.23Å; N250-G253 PolarHBondContact OD1-N 2.64Å; G253-N255 PolarHBondContact O-N 3.3Å; G253-N256 PolarHBondContact O-N 2.9Å; G253-L257 WeakPolarHBondContact O-CG 3.48Å; G253-L257 PolarHBondContact O-N 2.97Å
254C93.2Very high92.4Very high4 Ų445.2 Ų45.23%0.02726%0.26CS..Hα-helixtrans-59.8-44.7176.9-176.10000112.2L247 N250 V251 E252 L257 R258 L505L247-C254 HydrophobicContact CD2-CB 4.21Å; N250-C254 WeakPolarHBondContact O-CB 3.3Å; N250-C254 PolarHBondContact O-N 3.46Å; V251-C254 PolarHBondContact O-N 3.44Å; E252-C254 VanDerWaalsContact C-N 3.32Å; E252-C254 PolarHBondContact O-N 3.39Å; C254-L257 PolarHBondContact O-N 3.49Å; C254-R258 PolarHBondContact O-N 3.2Å; C254-L505 VanDerWaalsContact SG-CD2 3.55Å
255N93.3Very high91.1Very high81 Ų8150.3 Ų50.343%0.43328%0.279SS..Hα-helixtrans-65.8-41.2177.3-75-37.4000112.3V251 E252 G253 R258 S259V251-N255 PolarHBondContact O-N 2.93Å; V251-N255 PolarHBondContact O-ND2 2.92Å; V251-N255 VanDerWaalsContact O-ND2 3.13Å; E252-N255 PolarHBondContact O-N 2.75Å; G253-N255 PolarHBondContact O-N 3.3Å; N255-R258 PolarHBondContact O-N 3.38Å; N255-S259 PolarHBondContact O-N 2.89Å; N255-S259 PolarHBondContact O-OG 2.85Å
256N93.8Very high90Very high69 Ų6947.9 Ų47.937%0.36927%0.269SS..Hα-helixtrans-63.8-42.4176.8-70-20.1000111.8E252 G253 R258 S259 N260 T309E252-N256 VanDerWaalsContact O-CG 3.31Å; E252-N256 PolarHBondContact O-N 3.42Å; E252-N256 PolarHBondContact O-ND2 2.69Å; G253-N256 PolarHBondContact O-N 2.9Å; N256-R258 VanDerWaalsContact C-N 3.35Å; N256-R258 PolarHBondContact O-N 3.07Å; N256-S259 WeakPolarHBondContact CA-OG 3.24Å; N256-S259 PolarHBondContact O-N 2.93Å; N256-S259 PolarHBondContact O-OG 3.19Å; N256-N260 WeakPolarHBondContact O-CB 3.37Å; N256-N260 VanDerWaalsContact O-CG 3.22Å; N256-N260 PolarHBondContact O-N 3.11Å; N256-N260 PolarHBondContact O-ND2 3.37Å; N256-T309 HydrophobicContact CB-CG2 3.76Å
257L93.7Very high89.3Confident0 Ų045.9 Ų45.90%026%0.26CS..Hα-helixtrans-59.7-46.3173.2-74.8177.7000111L247 G253 C254 S259 N260 L261 L306 T309 L310 F313 L505L247-L257 HydrophobicContact CD2-CD1 3.73Å; G253-L257 WeakPolarHBondContact O-CG 3.48Å; G253-L257 PolarHBondContact O-N 2.97Å; C254-L257 PolarHBondContact O-N 3.49Å; L257-S259 PolarHBondContact O-N 3.13Å; L257-N260 PolarHBondContact O-N 3.11Å; L257-L261 WeakPolarHBondContact O-CG 3.3Å; L257-L261 PolarHBondContact O-N 2.87Å; L257-L306 HydrophobicContact CD2-CD1 3.71Å; L257-T309 HydrophobicContact CD2-CG2 3.61Å; L257-T309 HydrophobicContact CG-CG2 3.67Å; L257-L310 HydrophobicContact CD2-CD2 3.84Å; L257-L310 HydrophobicContact CD2-CG 4.15Å; L257-F313 HydrophobicContact CD1-CD2 4.46Å; L257-F313 HydrophobicContact CD1-CE2 3.54Å; L257-F313 HydrophobicContact CD1-CZ 3.76Å; L257-F313 HydrophobicContact CG-CE2 4.01Å; L257-F313 HydrophobicContact CG-CZ 4.4Å; L257-L505 HydrophobicContact CB-CD1 4.04Å; L257-L505 HydrophobicContact CB-CD2 4.48Å
258R91.7Very high88.1Confident66 Ų6646.1 Ų46.125%0.24926%0.261CS..Hα-helixtrans-61.9-42.8179.1-168178.9-67.3147.45.2111.6C254 N255 N256 C262 T509C254-R258 PolarHBondContact O-N 3.2Å; N255-R258 PolarHBondContact O-N 3.38Å; N256-R258 VanDerWaalsContact C-N 3.35Å; N256-R258 PolarHBondContact O-N 3.07Å; R258-C262 WeakPolarHBondContact O-CB 3.37Å; R258-C262 PolarHBondContact O-N 2.88Å; R258-C262 PolarHBondContact O-SG 3.42Å; R258-T509 PolarHBondContact NH2-OG1 3.41Å
259S91.4Very high87.3Confident60 Ų6047.5 Ų47.542%0.4226%0.263SS..Hα-helixtrans-63.8-41176.553.80000112.4N255 N256 L257 C262 S263N255-S259 PolarHBondContact O-N 2.89Å; N255-S259 PolarHBondContact O-OG 2.85Å; N256-S259 WeakPolarHBondContact CA-OG 3.24Å; N256-S259 PolarHBondContact O-N 2.93Å; N256-S259 PolarHBondContact O-OG 3.19Å; L257-S259 PolarHBondContact O-N 3.13Å; S259-C262 PolarHBondContact O-N 2.68Å; S259-S263 PolarHBondContact O-N 3.49Å; S259-S263 PolarHBondContact O-OG 3.49Å
260N91.9Very high86.8Confident18 Ų1844.2 Ų44.210%0.09623%0.229CC..Hα-helixtrans-63.7-47.3178.3-70-18.8000111.3N256 L257 C262 S263 M264 M302 L306 T309N256-N260 WeakPolarHBondContact O-CB 3.37Å; N256-N260 VanDerWaalsContact O-CG 3.22Å; N256-N260 PolarHBondContact O-N 3.11Å; N256-N260 PolarHBondContact O-ND2 3.37Å; L257-N260 PolarHBondContact O-N 3.11Å; N260-C262 VanDerWaalsContact C-N 3.28Å; N260-C262 PolarHBondContact O-N 2.76Å; N260-S263 WeakPolarHBondContact O-CB 3.24Å; N260-S263 PolarHBondContact O-N 3.02Å; N260-S263 VanDerWaalsContact O-N 3.1Å; N260-M264 WeakPolarHBondContact O-CG 3.46Å; N260-M264 PolarHBondContact O-N 2.7Å; N260-M302 HydrophobicContact CB-CE 4.2Å; N260-M302 VanDerWaalsContact OD1-CE 3.22Å; N260-M302 WeakPolarHBondContact OD1-CE 3.34Å; N260-L306 HydrophobicContact CB-CD1 4.24Å; N260-T309 PolarHBondContact ND2-OG1 2.75Å; N260-T309 VanDerWaalsContact ND2-OG1 3.11Å
261L90.2Very high86.4Confident1 Ų141.9 Ų41.91%0.00522%0.216CC..Hα-helixtrans-63.9-33.1177.4-66.9169.5000112.5L257 S263 M264 R265 I498 L501 D502 L505L257-L261 WeakPolarHBondContact O-CG 3.3Å; L257-L261 PolarHBondContact O-N 2.87Å; L261-S263 PolarHBondContact O-N 2.9Å; L261-M264 PolarHBondContact O-N 2.96Å; L261-R265 WeakPolarHBondContact O-CG 2.96Å; L261-R265 PolarHBondContact O-N 3.11Å; L261-I498 HydrophobicContact CD2-CB 4.18Å; L261-I498 HydrophobicContact CD2-CG1 4.15Å; L261-I498 HydrophobicContact CD2-CG2 3.85Å; L261-L501 HydrophobicContact CD1-CB 4.04Å; L261-L501 HydrophobicContact CD2-CB 4.34Å; L261-D502 HydrophobicContact CD1-CB 4.26Å; L261-L505 HydrophobicContact CD1-CD1 3.25Å
262C87Confident85.9Confident42 Ų4240 Ų4028%0.28421%0.205SC..Hα-helixtrans-63.6-27.6175.6-71.90000113.5R258 S259 N260 R265R258-C262 WeakPolarHBondContact O-CB 3.37Å; R258-C262 PolarHBondContact O-N 2.88Å; R258-C262 PolarHBondContact O-SG 3.42Å; S259-C262 PolarHBondContact O-N 2.68Å; N260-C262 VanDerWaalsContact C-N 3.28Å; N260-C262 PolarHBondContact O-N 2.76Å; C262-R265 WeakPolarHBondContact O-CD 3.49Å; C262-R265 VanDerWaalsContact O-CG 3.26Å; C262-R265 WeakPolarHBondContact O-CG 3.47Å; C262-R265 PolarHBondContact O-NE 3.26Å; C262-R265 PolarHBondContact SG-NH2 2.86Å
263S85.3Confident85.5Confident63 Ų6333.9 Ų33.944%0.44118%0.177SC..Hα-helixtrans-80.4-18.1174.5-59.30000112.7S259 N260 L261S259-S263 PolarHBondContact O-N 3.49Å; S259-S263 PolarHBondContact O-OG 3.49Å; N260-S263 WeakPolarHBondContact O-CB 3.24Å; N260-S263 PolarHBondContact O-N 3.02Å; N260-S263 VanDerWaalsContact O-N 3.1Å; L261-S263 PolarHBondContact O-N 2.9Å
264M84.7Confident85Confident0 Ų033.9 Ų33.90%018%0.176CC..SBendtrans-107.513.5-174.4-58.817386.500113.7N260 L261 D266 I267 T299 M302 V303 L306 L494 I498N260-M264 WeakPolarHBondContact O-CG 3.46Å; N260-M264 PolarHBondContact O-N 2.7Å; L261-M264 PolarHBondContact O-N 2.96Å; M264-D266 VanDerWaalsContact C-N 3.26Å; M264-D266 PolarHBondContact O-N 3.33Å; M264-D266 VanDerWaalsContact O-N 3.11Å; M264-I267 PolarHBondContact O-N 3.41Å; M264-T299 HydrophobicContact CB-CG2 4.11Å; M264-T299 HydrophobicContact CE-CG2 3.77Å; M264-T299 WeakPolarHBondContact CE-O 3.27Å; M264-T299 HydrophobicContact CG-CG2 4.12Å; M264-M302 HydrophobicContact CE-CB 4.29Å; M264-M302 HydrophobicContact CG-CB 3.71Å; M264-M302 HydrophobicContact CG-CG 4.28Å; M264-M302 HydrophobicContact SD-CB 3.75Å; M264-V303 HydrophobicContact CE-CG2 4.12Å; M264-L306 HydrophobicContact CE-CD2 4.33Å; M264-L306 HydrophobicContact SD-CD2 4.04Å; M264-L494 HydrophobicContact CE-CD1 3.94Å; M264-L494 HydrophobicContact CE-CD2 4.35Å; M264-L494 HydrophobicContact CE-CG 4.45Å; M264-I498 HydrophobicContact CB-CD1 4.1Å; M264-I498 HydrophobicContact CE-CD1 3.63Å; M264-I498 HydrophobicContact CE-CG1 4.27Å; M264-I498 HydrophobicContact SD-CD1 4.29Å
265R70.6Confident84.3Confident108 Ų10833.9 Ų33.941%0.40818%0.176SC..THydrogen-bonded Turntrans-58.1-30.3-166.9-68.6175.8175.9-172.2-2.4115.8C215 T216 L261 C262C215-R265 HydrophobicContact CB-CG 4.32Å; C215-R265 WeakPolarHBondContact O-CD 3.31Å; C215-R265 WeakPolarHBondContact O-CG 3.3Å; C215-R265 PolarHBondContact O-NE 2.95Å; T216-R265 HydrophobicContact CG2-CG 4.3Å; L261-R265 WeakPolarHBondContact O-CG 2.96Å; L261-R265 PolarHBondContact O-N 3.11Å; C262-R265 WeakPolarHBondContact O-CD 3.49Å; C262-R265 VanDerWaalsContact O-CG 3.26Å; C262-R265 WeakPolarHBondContact O-CG 3.47Å; C262-R265 PolarHBondContact O-NE 3.26Å; C262-R265 PolarHBondContact SG-NH2 2.86Å
266D72.4Confident83.5Confident51 Ų5131.4 Ų31.427%0.27317%0.169SC..THydrogen-bonded Turntrans-107.616.5-169.2-78-37.6000113.3Y217 M264 E268 R269 L295Y217-D266 WeakPolarHBondContact CE2-OD1 3.36Å; M264-D266 VanDerWaalsContact C-N 3.26Å; M264-D266 PolarHBondContact O-N 3.33Å; M264-D266 VanDerWaalsContact O-N 3.11Å; D266-E268 PolarHBondContact O-N 3.44Å; D266-E268 VanDerWaalsContact O-N 3.13Å; D266-R269 PolarHBondContact O-N 2.99Å; D266-R269 VanDerWaalsContact O-N 3.07Å; D266-R269 IonicContact OD1-NH1 3.5Å; D266-L295 HydrophobicContact CB-CD1 4.37Å; D266-L295 HydrophobicContact CB-CD2 3.39Å; D266-L295 HydrophobicContact CB-CG 4.43Å
267I81.2Confident82.4Confident2 Ų232 Ų321%0.0117%0.17CC..Hα-helixtrans-52.4-38.1178.4-171.3175.3000112.6M264 R269 S270 I271 T299 L494 I498M264-I267 PolarHBondContact O-N 3.41Å; I267-R269 PolarHBondContact O-N 3.05Å; I267-S270 WeakPolarHBondContact O-CB 3.43Å; I267-S270 PolarHBondContact O-N 2.99Å; I267-I271 PolarHBondContact O-N 3.31Å; I267-T299 HydrophobicContact CB-CG2 3.97Å; I267-T299 HydrophobicContact CD1-CG2 3.83Å; I267-T299 HydrophobicContact CG1-CG2 3.96Å; I267-L494 HydrophobicContact CD1-CB 3.98Å; I267-L494 HydrophobicContact CD1-CD2 3.41Å; I267-L494 VanDerWaalsContact CD1-CD2 3.41Å; I267-L494 HydrophobicContact CD1-CG 3.47Å; I267-L494 VanDerWaalsContact CD1-CG 3.47Å; I267-I498 HydrophobicContact CB-CD1 4.5Å; I267-I498 HydrophobicContact CD1-CD1 3.99Å; I267-I498 HydrophobicContact CG2-CD1 3.94Å
268E72.9Confident81.2Confident7 Ų734.3 Ų34.33%0.03319%0.186CC..Hα-helixtrans-61-32.9-176.4-58.2-169.514500111.9Y217 G218 R221 D266 S270 I271 P272Y217-E268 WeakPolarHBondContact CB-OE2 3.48Å; G218-E268 WeakPolarHBondContact CA-OE1 3.08Å; G218-E268 PolarHBondContact N-OE1 3.1Å; G218-E268 PolarHBondContact N-OE2 3.31Å; R221-E268 IonicContact CZ-OE1 3.65Å; R221-E268 IonicContact CZ-OE2 2.6Å; R221-E268 VanDerWaalsContact CZ-OE2 3.24Å; R221-E268 IonicContact NH1-OE1 2.76Å; R221-E268 IonicContact NH1-OE2 3.65Å; R221-E268 PolarHBondContact NH1-OE2 3.35Å; R221-E268 IonicContact NH2-OE1 2.79Å; R221-E268 PolarHBondContact NH2-OE1 3.36Å; R221-E268 IonicContact NH2-OE2 3.98Å; R221-E268 PolarHBondContact NH2-OE2 3.32Å; D266-E268 PolarHBondContact O-N 3.44Å; D266-E268 VanDerWaalsContact O-N 3.13Å; E268-S270 PolarHBondContact O-N 3.44Å; E268-I271 PolarHBondContact O-N 2.93Å; E268-P272 WeakPolarHBondContact O-CD 3.17Å
269R78.2Confident80Confident83 Ų8338.2 Ų38.231%0.31321%0.212SC..Hα-helixtrans-71.8-18.7177.3-67.2179.4170.7178.2-3113.5Y217 D266 I267 Y288Y217-R269 PolarHBondContact OH-NH2 3.26Å; Y217-R269 VanDerWaalsContact OH-NH2 3.12Å; D266-R269 PolarHBondContact O-N 2.99Å; D266-R269 VanDerWaalsContact O-N 3.07Å; D266-R269 IonicContact OD1-NH1 3.5Å; I267-R269 PolarHBondContact O-N 3.05Å; R269-Y288 PolarHBondContact O-OH 3.08Å
270S82.1Confident79.2Confident1 Ų140.5 Ų40.51%0.00722%0.216CC..Hα-helixtrans-83.8-26.7178-59.80000112.3I267 E268 M273 C274 Q292I267-S270 WeakPolarHBondContact O-CB 3.43Å; I267-S270 PolarHBondContact O-N 2.99Å; E268-S270 PolarHBondContact O-N 3.44Å; S270-M273 PolarHBondContact O-N 3.17Å; S270-C274 PolarHBondContact O-N 3.22Å; S270-C274 PolarHBondContact O-SG 3.44Å; S270-Q292 PolarHBondContact OG-O 3.45Å
271I84.2Confident78.4Confident3 Ų347.9 Ų47.92%0.01525%0.25CC..Hα-helixtrans-63.7-48.2-179-65.9175.4000112.3P30 I267 E268 M273 C274 I275 L491 Y492P30-I271 HydrophobicContact CG-CG2 3.95Å; I267-I271 PolarHBondContact O-N 3.31Å; E268-I271 PolarHBondContact O-N 2.93Å; I271-M273 VanDerWaalsContact C-N 3.27Å; I271-M273 PolarHBondContact O-N 3.31Å; I271-C274 WeakPolarHBondContact O-CA 3.4Å; I271-C274 WeakPolarHBondContact O-CB 3.46Å; I271-C274 PolarHBondContact O-N 3.02Å; I271-I275 HydrophobicContact CG2-CD1 3.36Å; I271-I275 HydrophobicContact CG2-CG1 4.48Å; I271-I275 WeakPolarHBondContact O-CD1 3.27Å; I271-I275 WeakPolarHBondContact O-CG1 3.31Å; I271-I275 PolarHBondContact O-N 3.32Å; I271-L491 HydrophobicContact CG1-CB 4.28Å; I271-Y492 HydrophobicContact CG2-CD1 4.45Å; I271-Y492 HydrophobicContact CG2-CE1 3.94Å
272P82.2Confident78.2Confident32 Ų3249.3 Ų49.321%0.20826%0.26CS..Hα-helixtrans-54.8-40.1176.5-25.730.1000113.7M27 L28 P30 E268 C274 I275 G276M27-P272 VanDerWaalsContact O-CG 3.29Å; M27-P272 WeakPolarHBondContact O-CG 3.35Å; L28-P272 WeakPolarHBondContact O-CG 3.33Å; P30-P272 HydrophobicContact CG-CG 4.48Å; E268-P272 WeakPolarHBondContact O-CD 3.17Å; P272-C274 PolarHBondContact O-N 2.92Å; P272-I275 PolarHBondContact O-N 3.47Å; P272-G276 PolarHBondContact O-N 2.83Å
273M84.3Confident78.1Confident17 Ų1749.3 Ų49.38%0.08426%0.259CS..Hα-helixtrans-61.5-33.6176.6178.8-168.866.600111.9S270 I271 R289 Q292 M293 L481S270-M273 PolarHBondContact O-N 3.17Å; I271-M273 VanDerWaalsContact C-N 3.27Å; I271-M273 PolarHBondContact O-N 3.31Å; M273-R289 HydrophobicContact CG-CG 4.01Å; M273-R289 HydrophobicContact SD-CB 4.03Å; M273-R289 HydrophobicContact SD-CG 3.89Å; M273-Q292 HydrophobicContact CE-CB 4.02Å; M273-Q292 HydrophobicContact SD-CB 3.67Å; M273-M293 HydrophobicContact CE-CB 4.23Å; M273-M293 HydrophobicContact CE-CE 3.73Å; M273-M293 HydrophobicContact CE-SD 4.28Å; M273-L481 HydrophobicContact CE-CD2 4.37Å; M273-L481 HydrophobicContact CG-CD1 4.42Å
274C81.4Confident78.2Confident3 Ų356.5 Ų56.52%0.0228%0.277CS..Hα-helixtrans-75.3-25.3-178.1-64.30000113.1I158 S270 I271 P272 M488I158-C274 WeakPolarHBondContact CD1-O 3.36Å; S270-C274 PolarHBondContact O-N 3.22Å; S270-C274 PolarHBondContact O-SG 3.44Å; I271-C274 WeakPolarHBondContact O-CA 3.4Å; I271-C274 WeakPolarHBondContact O-CB 3.46Å; I271-C274 PolarHBondContact O-N 3.02Å; P272-C274 PolarHBondContact O-N 2.92Å; C274-M488 HydrophobicContact CB-CE 3.89Å; C274-M488 HydrophobicContact CB-CG 4.38Å; C274-M488 HydrophobicContact CB-SD 3.66Å
275I78.5Confident78.3Confident4 Ų458.4 Ų58.42%0.02129%0.285CS..Hα-helixtrans-107.2-30-170-61.3160.1000111.3P30 F157 I158 S161 I271 P272 Y492P30-I275 HydrophobicContact CB-CD1 4.43Å; P30-I275 HydrophobicContact CG-CD1 3.45Å; P30-I275 VanDerWaalsContact CG-CD1 3.45Å; F157-I275 HydrophobicContact CD1-CG2 4.02Å; I158-I275 WeakPolarHBondContact CB-O 3.41Å; I158-I275 WeakPolarHBondContact CD1-O 3.3Å; I158-I275 VanDerWaalsContact CG1-O 3.24Å; I158-I275 WeakPolarHBondContact CG1-O 3.17Å; I158-I275 PolarHBondContact N-O 3.19Å; S161-I275 WeakPolarHBondContact OG-CG2 3.42Å; I271-I275 HydrophobicContact CG2-CD1 3.36Å; I271-I275 HydrophobicContact CG2-CG1 4.48Å; I271-I275 WeakPolarHBondContact O-CD1 3.27Å; I271-I275 WeakPolarHBondContact O-CG1 3.31Å; I271-I275 PolarHBondContact O-N 3.32Å; P272-I275 PolarHBondContact O-N 3.47Å; I275-Y492 HydrophobicContact CD1-CE1 4.39Å; I275-Y492 HydrophobicContact CD1-CE2 3.99Å; I275-Y492 WeakPolarHBondContact CD1-OH 3.38Å
276G76.1Confident79.2Confident29 Ų2953.3 Ų53.330%0.29927%0.266SS..EExtended strand (participates in β ladder)trans-75.4132.4-178.300000112.9L156 P272 S278L156-G276 WeakPolarHBondContact O-CA 3.4Å; P272-G276 PolarHBondContact O-N 2.83Å; G276-S278 PolarHBondContact O-N 3.36Å
277E70.5Confident80Confident83 Ų8353.2 Ų53.239%0.38826%0.264SS..EExtended strand (participates in β ladder)trans-88.797.7164-99.5172.4-164.400109.4L156 I158 R485L156-E277 HydrophobicContact CB-CB 4.1Å; L156-E277 PolarHBondContact O-N 3.3Å; I158-E277 HydrophobicContact CG1-CG 3.73Å; E277-R485 IonicContact OE1-CZ 3.82Å; E277-R485 IonicContact OE1-NH1 3.97Å; E277-R485 PolarHBondContact OE1-NH1 2.98Å; E277-R485 IonicContact OE1-NH2 3.62Å; E277-R485 PolarHBondContact OE1-NH2 3.23Å
278S69.4Low80.3Confident48 Ų4857.3 Ų57.334%0.33628%0.28SS..  trans-97.4123.7178.864.90000111.5G276 E280 F285G276-S278 PolarHBondContact O-N 3.36Å; S278-E280 VanDerWaalsContact C-N 3.32Å; S278-F285 VanDerWaalsContact CB-CZ 3.42Å; S278-F285 WeakPolarHBondContact OG-CE1 3.45Å; S278-F285 WeakPolarHBondContact OG-CZ 3.32Å
279N66.5Low81Confident147 Ų14757.5 Ų57.579%0.78628%0.28SS*.  trans-90.26.9169-73.3-27.6000113.1Q281N279-Q281 PolarHBondContact O-N 3.31Å
280E73.3Confident81.6Confident108 Ų10853.6 Ų53.651%0.50527%0.266SS..  trans-74.4114-178.6-166.4179.5156.900111S278 S282 F285S278-E280 VanDerWaalsContact C-N 3.32Å; E280-S282 WeakPolarHBondContact OE1-CB 3.41Å; E280-S282 PolarHBondContact OE1-OG 3.3Å; E280-F285 HydrophobicContact CB-CD1 4.08Å; E280-F285 HydrophobicContact CB-CE1 4.45Å; E280-F285 HydrophobicContact CB-CG 4.19Å; E280-F285 HydrophobicContact CG-CB 4.21Å; E280-F285 HydrophobicContact CG-CG 4.35Å; E280-F285 VanDerWaalsContact O-CD1 3.25Å; E280-F285 WeakPolarHBondContact O-CD1 3.5Å
281Q74.5Confident81.9Confident174 Ų17458.5 Ų58.581%0.81329%0.287SS*.  trans-102.845.6177.6-62.9-178.98.400111.3N279N279-Q281 PolarHBondContact O-N 3.31Å
282S86.1Confident82Confident30 Ų3059.4 Ų59.421%0.2129%0.291CS..  trans-93.5142.7178.586.50000110.9E280 R284 F285 A286E280-S282 WeakPolarHBondContact OE1-CB 3.41Å; E280-S282 PolarHBondContact OE1-OG 3.3Å; S282-R284 PolarHBondContact O-N 3.17Å; S282-F285 PolarHBondContact O-N 2.95Å; S282-F285 VanDerWaalsContact O-N 3.14Å; S282-F285 WeakPolarHBondContact OG-CB 3.35Å; S282-F285 PolarHBondContact OG-N 3.29Å; S282-F285 VanDerWaalsContact OG-N 3.12Å; S282-A286 PolarHBondContact O-N 3.34Å
283P85.6Confident82.4Confident43 Ų4357.9 Ų57.928%0.27928%0.281SS..Hα-helixtrans-59.3-33.9177.3-19.628.6000112.1A286 E287 K467P283-A286 PolarHBondContact O-N 3.3Å; P283-E287 WeakPolarHBondContact O-CG 3.29Å; P283-E287 PolarHBondContact O-N 3.04Å; P283-K467 HydrophobicContact CB-CG 4.46Å; P283-K467 HydrophobicContact CG-CG 4.45Å
284R87.7Confident82.6Confident213 Ų21357.4 Ų57.480%0.80428%0.279SS*.Hα-helixtrans-65.9-42.4177.7-70.9-175.3177.5179.70.2111.9S282 E287 Y288S282-R284 PolarHBondContact O-N 3.17Å; R284-E287 PolarHBondContact O-N 3.41Å; R284-Y288 PolarHBondContact O-N 3.15Å
285F86.3Confident82.9Confident41 Ų4158.9 Ų58.918%0.1829%0.286CS..Hα-helixtrans-67.7-41.3177.5-177.8-105.4000111.5S278 E280 S282 Y288 R289S278-F285 VanDerWaalsContact CB-CZ 3.42Å; S278-F285 WeakPolarHBondContact OG-CE1 3.45Å; S278-F285 WeakPolarHBondContact OG-CZ 3.32Å; E280-F285 HydrophobicContact CB-CD1 4.08Å; E280-F285 HydrophobicContact CB-CE1 4.45Å; E280-F285 HydrophobicContact CB-CG 4.19Å; E280-F285 HydrophobicContact CG-CB 4.21Å; E280-F285 HydrophobicContact CG-CG 4.35Å; E280-F285 VanDerWaalsContact O-CD1 3.25Å; E280-F285 WeakPolarHBondContact O-CD1 3.5Å; S282-F285 PolarHBondContact O-N 2.95Å; S282-F285 VanDerWaalsContact O-N 3.14Å; S282-F285 WeakPolarHBondContact OG-CB 3.35Å; S282-F285 PolarHBondContact OG-N 3.29Å; S282-F285 VanDerWaalsContact OG-N 3.12Å; F285-Y288 HydrophobicContact CD2-CD1 4.38Å; F285-Y288 HydrophobicContact CE2-CD1 4.3Å; F285-Y288 WeakPolarHBondContact O-CB 3.18Å; F285-Y288 PolarHBondContact O-N 3.43Å; F285-R289 HydrophobicContact CE1-CG 4.1Å; F285-R289 HydrophobicContact CZ-CG 4.11Å; F285-R289 PolarHBondContact O-N 2.84Å
286A89.8Confident83.5Confident0 Ų058.7 Ų58.70%029%0.285CS..Hα-helixtrans-61.4-43.9173.200000112.5S282 P283 Y288 R289 I290 I470 L471 D474S282-A286 PolarHBondContact O-N 3.34Å; P283-A286 PolarHBondContact O-N 3.3Å; A286-Y288 VanDerWaalsContact C-N 3.31Å; A286-Y288 PolarHBondContact O-N 3.08Å; A286-R289 PolarHBondContact O-N 3.39Å; A286-I290 VanDerWaalsContact O-CG1 3.28Å; A286-I290 WeakPolarHBondContact O-CG1 3.42Å; A286-I290 PolarHBondContact O-N 3.35Å; A286-I470 HydrophobicContact CB-CG2 3.29Å; A286-L471 HydrophobicContact CB-CD2 4.5Å; A286-D474 WeakPolarHBondContact CA-OD1 3.45Å; A286-D474 HydrophobicContact CB-CB 3.63Å
287E89.6Confident84.2Confident49 Ų4957.5 Ų57.523%0.22927%0.272CS..Hα-helixtrans-57.8-42.8171.7-78.2-172.3-152.900112.4P283 R284 K291 L358 F466 I470P283-E287 WeakPolarHBondContact O-CG 3.29Å; P283-E287 PolarHBondContact O-N 3.04Å; R284-E287 PolarHBondContact O-N 3.41Å; E287-K291 VanDerWaalsContact O-CG 3.29Å; E287-K291 WeakPolarHBondContact O-CG 3.44Å; E287-K291 PolarHBondContact O-N 2.93Å; E287-K291 VanDerWaalsContact O-N 3.1Å; E287-K291 IonicContact OE2-NZ 2.73Å; E287-K291 PolarHBondContact OE2-NZ 3.38Å; E287-L358 HydrophobicContact CG-CD1 4.12Å; E287-F466 WeakPolarHBondContact OE1-CE1 3.42Å; E287-I470 HydrophobicContact CG-CD1 3.45Å; E287-I470 VanDerWaalsContact CG-CD1 3.45Å; E287-I470 HydrophobicContact CG-CG1 4.19Å; E287-I470 HydrophobicContact CG-CG2 4.15Å
288Y87.5Confident85.1Confident88 Ų8857.3 Ų57.335%0.34527%0.271SS..Hα-helixtrans-60.2-48.6177.1163.7-98.1000110.8R269 R284 F285 A286 I290 K291 Q292R269-Y288 PolarHBondContact O-OH 3.08Å; R284-Y288 PolarHBondContact O-N 3.15Å; F285-Y288 HydrophobicContact CD2-CD1 4.38Å; F285-Y288 HydrophobicContact CE2-CD1 4.3Å; F285-Y288 WeakPolarHBondContact O-CB 3.18Å; F285-Y288 PolarHBondContact O-N 3.43Å; A286-Y288 VanDerWaalsContact C-N 3.31Å; A286-Y288 PolarHBondContact O-N 3.08Å; Y288-I290 PolarHBondContact O-N 3.48Å; Y288-K291 PolarHBondContact O-N 3.42Å; Y288-Q292 HydrophobicContact CD1-CG 4.31Å; Y288-Q292 HydrophobicContact CD2-CG 3.92Å; Y288-Q292 HydrophobicContact CE1-CG 3.9Å; Y288-Q292 HydrophobicContact CE2-CG 3.47Å; Y288-Q292 VanDerWaalsContact CE2-CG 3.47Å; Y288-Q292 HydrophobicContact CG-CG 4.32Å; Y288-Q292 VanDerWaalsContact CZ-CG 3.45Å; Y288-Q292 WeakPolarHBondContact O-CG 3.47Å; Y288-Q292 PolarHBondContact O-N 3.36Å
289R87.5Confident86.1Confident12 Ų1255 Ų555%0.04526%0.255CS..Hα-helixtrans-61.1-43178.9-81.4171.630.5147.1-4.6113.3M273 F285 A286 K291 Q292 M293 D474 S478M273-R289 HydrophobicContact CG-CG 4.01Å; M273-R289 HydrophobicContact SD-CB 4.03Å; M273-R289 HydrophobicContact SD-CG 3.89Å; F285-R289 HydrophobicContact CE1-CG 4.1Å; F285-R289 HydrophobicContact CZ-CG 4.11Å; F285-R289 PolarHBondContact O-N 2.84Å; A286-R289 PolarHBondContact O-N 3.39Å; R289-K291 VanDerWaalsContact C-N 3.33Å; R289-K291 PolarHBondContact O-N 3.26Å; R289-Q292 PolarHBondContact O-N 3.3Å; R289-M293 WeakPolarHBondContact O-CB 3.43Å; R289-M293 PolarHBondContact O-N 2.93Å; R289-D474 VanDerWaalsContact CZ-CG 3.44Å; R289-D474 IonicContact CZ-OD1 3.85Å; R289-D474 IonicContact CZ-OD2 2.85Å; R289-D474 IonicContact NE-OD1 3.6Å; R289-D474 PolarHBondContact NE-OD1 2.86Å; R289-D474 IonicContact NE-OD2 3.95Å; R289-D474 IonicContact NH1-OD2 3.85Å; R289-D474 PolarHBondContact NH2-O 3.28Å; R289-D474 IonicContact NH2-OD1 3.2Å; R289-D474 PolarHBondContact NH2-OD1 3.29Å; R289-D474 IonicContact NH2-OD2 3.82Å; R289-D474 PolarHBondContact NH2-OD2 3.28Å; R289-D474 VanDerWaalsContact NH2-OD2 3.16Å; R289-S478 PolarHBondContact NH1-OG 3.17Å; R289-S478 VanDerWaalsContact NH1-OG 3.12Å; R289-S478 PolarHBondContact NH2-OG 2.81Å
290I89.8Confident87.3Confident1 Ų148.3 Ų48.31%0.00522%0.219CC..Hα-helixtrans-58.7-46.5175-62.3162000110.5A286 Y288 M293 T294 L358 T361 I470 I477A286-I290 VanDerWaalsContact O-CG1 3.28Å; A286-I290 WeakPolarHBondContact O-CG1 3.42Å; A286-I290 PolarHBondContact O-N 3.35Å; Y288-I290 PolarHBondContact O-N 3.48Å; I290-M293 PolarHBondContact O-N 2.63Å; I290-T294 WeakPolarHBondContact O-CB 3.5Å; I290-T294 PolarHBondContact O-N 3.18Å; I290-T294 PolarHBondContact O-OG1 2.99Å; I290-L358 HydrophobicContact CB-CD2 4.14Å; I290-L358 HydrophobicContact CG2-CD2 3.76Å; I290-T361 HydrophobicContact CG2-CG2 3.84Å; I290-I470 HydrophobicContact CD1-CB 4.44Å; I290-I470 HydrophobicContact CD1-CG1 4.4Å; I290-I470 HydrophobicContact CD1-CG2 4.01Å; I290-I477 VanDerWaalsContact CA-CD1 3.44Å; I290-I477 HydrophobicContact CB-CD1 3.93Å; I290-I477 HydrophobicContact CG1-CD1 3.4Å
291K88.1Confident88.2Confident104 Ų10445.1 Ų45.145%0.45220%0.204SC..Hα-helixtrans-63.3-44.6178.3-70.8167.7178.9158.10112.1E287 Y288 R289 T294 L295 L358E287-K291 VanDerWaalsContact O-CG 3.29Å; E287-K291 WeakPolarHBondContact O-CG 3.44Å; E287-K291 PolarHBondContact O-N 2.93Å; E287-K291 VanDerWaalsContact O-N 3.1Å; E287-K291 IonicContact OE2-NZ 2.73Å; E287-K291 PolarHBondContact OE2-NZ 3.38Å; Y288-K291 PolarHBondContact O-N 3.42Å; R289-K291 VanDerWaalsContact C-N 3.33Å; R289-K291 PolarHBondContact O-N 3.26Å; K291-T294 PolarHBondContact O-N 2.89Å; K291-L295 WeakPolarHBondContact O-CB 3.33Å; K291-L295 PolarHBondContact O-N 3.43Å; K291-L358 HydrophobicContact CG-CD2 3.88Å
292Q87.3Confident89Confident22 Ų2238.7 Ų38.710%0.10318%0.175CC..Hα-helixtrans-65.3-41.5178.7-67.8-48.6-38.700112.1S270 M273 Y288 R289 T294 L295 L296S270-Q292 PolarHBondContact OG-O 3.45Å; M273-Q292 HydrophobicContact CE-CB 4.02Å; M273-Q292 HydrophobicContact SD-CB 3.67Å; Y288-Q292 HydrophobicContact CD1-CG 4.31Å; Y288-Q292 HydrophobicContact CD2-CG 3.92Å; Y288-Q292 HydrophobicContact CE1-CG 3.9Å; Y288-Q292 HydrophobicContact CE2-CG 3.47Å; Y288-Q292 VanDerWaalsContact CE2-CG 3.47Å; Y288-Q292 HydrophobicContact CG-CG 4.32Å; Y288-Q292 VanDerWaalsContact CZ-CG 3.45Å; Y288-Q292 WeakPolarHBondContact O-CG 3.47Å; Y288-Q292 PolarHBondContact O-N 3.36Å; R289-Q292 PolarHBondContact O-N 3.3Å; Q292-T294 VanDerWaalsContact C-N 3.31Å; Q292-T294 PolarHBondContact O-N 3.11Å; Q292-L295 WeakPolarHBondContact O-CB 3.07Å; Q292-L295 PolarHBondContact O-N 3.32Å; Q292-L296 WeakPolarHBondContact O-CB 3.37Å; Q292-L296 PolarHBondContact O-N 3.27Å
293M90.2Very high89.5Confident0 Ų037.7 Ų37.70%017%0.167CC..Hα-helixtrans-65.9-36.5177.3-16962.575.800112.1M273 R289 I290 L296 L297 I337 I341 I477 L480 L481 M484M273-M293 HydrophobicContact CE-CB 4.23Å; M273-M293 HydrophobicContact CE-CE 3.73Å; M273-M293 HydrophobicContact CE-SD 4.28Å; R289-M293 WeakPolarHBondContact O-CB 3.43Å; R289-M293 PolarHBondContact O-N 2.93Å; I290-M293 PolarHBondContact O-N 2.63Å; M293-L296 PolarHBondContact O-N 2.72Å; M293-L296 HydrophobicContact SD-CD2 4.07Å; M293-L297 PolarHBondContact O-N 3.41Å; M293-I337 HydrophobicContact CG-CG2 4.45Å; M293-I337 HydrophobicContact SD-CD1 4.17Å; M293-I337 HydrophobicContact SD-CG1 4.26Å; M293-I341 HydrophobicContact CB-CD1 3.93Å; M293-I341 HydrophobicContact CG-CD1 3.32Å; M293-I477 HydrophobicContact CB-CD1 4.39Å; M293-I477 HydrophobicContact CE-CG2 4.11Å; M293-L480 HydrophobicContact CE-CD2 3.88Å; M293-L480 HydrophobicContact CE-CG 4.25Å; M293-L480 HydrophobicContact CG-CD2 3.81Å; M293-L480 HydrophobicContact SD-CD2 3.86Å; M293-L481 HydrophobicContact CE-CD2 3.5Å; M293-L481 VanDerWaalsContact CE-CD2 3.5Å; M293-L481 HydrophobicContact CE-CG 3.73Å; M293-M484 HydrophobicContact CE-SD 4.07Å; M293-M484 HydrophobicContact SD-CE 4.22Å; M293-M484 HydrophobicContact SD-SD 4.08Å
294T88.8Confident89.9Confident6 Ų641.8 Ų41.84%0.03718%0.183CC..Hα-helixtrans-66.5-40.6174.6-49.90000111.5I290 K291 Q292 L297 H298 S345 L346 T361I290-T294 WeakPolarHBondContact O-CB 3.5Å; I290-T294 PolarHBondContact O-N 3.18Å; I290-T294 PolarHBondContact O-OG1 2.99Å; K291-T294 PolarHBondContact O-N 2.89Å; Q292-T294 VanDerWaalsContact C-N 3.31Å; Q292-T294 PolarHBondContact O-N 3.11Å; T294-L297 WeakPolarHBondContact O-CB 3.49Å; T294-L297 PolarHBondContact O-N 3.02Å; T294-H298 PolarHBondContact O-N 3.47Å; T294-S345 VanDerWaalsContact CG2-CB 3.41Å; T294-L346 HydrophobicContact CG2-CD1 3.8Å; T294-L346 HydrophobicContact CG2-CD2 4.32Å; T294-L346 HydrophobicContact CG2-CG 3.73Å; T294-T361 VanDerWaalsContact OG1-CG2 3.29Å; T294-T361 WeakPolarHBondContact OG1-CG2 3.41Å
295L87.8Confident90.2Very high34 Ų3434.1 Ų34.118%0.17816%0.16CC..Hα-helixtrans-63.1-42.2173.3174.669.5000111.6D266 K291 Q292 L297 H298 T299D266-L295 HydrophobicContact CB-CD1 4.37Å; D266-L295 HydrophobicContact CB-CD2 3.39Å; D266-L295 HydrophobicContact CB-CG 4.43Å; K291-L295 WeakPolarHBondContact O-CB 3.33Å; K291-L295 PolarHBondContact O-N 3.43Å; Q292-L295 WeakPolarHBondContact O-CB 3.07Å; Q292-L295 PolarHBondContact O-N 3.32Å; L295-L297 VanDerWaalsContact C-N 3.33Å; L295-L297 PolarHBondContact O-N 3.01Å; L295-H298 PolarHBondContact O-N 2.97Å; L295-T299 WeakPolarHBondContact O-CB 3.39Å; L295-T299 PolarHBondContact O-N 2.93Å; L295-T299 PolarHBondContact O-OG1 3.36Å
296L90.7Very high90.6Very high0 Ų032.1 Ų32.10%015%0.152CC..Hα-helixtrans-62-41.5176.7-179.459.9000111.4Q292 M293 T299 L300 I337 M484 L491Q292-L296 WeakPolarHBondContact O-CB 3.37Å; Q292-L296 PolarHBondContact O-N 3.27Å; M293-L296 PolarHBondContact O-N 2.72Å; M293-L296 HydrophobicContact SD-CD2 4.07Å; L296-T299 PolarHBondContact O-N 3.18Å; L296-L300 HydrophobicContact CD1-CD1 4.24Å; L296-L300 HydrophobicContact CD1-CG 4.26Å; L296-L300 HydrophobicContact CG-CD1 4.09Å; L296-L300 WeakPolarHBondContact O-CG 3.44Å; L296-L300 PolarHBondContact O-N 3.48Å; L296-I337 HydrophobicContact CD2-CD1 4.16Å; L296-I337 HydrophobicContact CG-CD1 4.11Å; L296-M484 HydrophobicContact CD2-CE 3.87Å; L296-L491 HydrophobicContact CD1-CD1 4.27Å; L296-L491 HydrophobicContact CD1-CD2 3.89Å; L296-L491 HydrophobicContact CD2-CD1 4.28Å
297L91Very high90.9Very high4 Ų433.3 Ų33.32%0.02116%0.158CC..Hα-helixtrans-54.1-55.6173.2175.460.5000110.9M293 T294 L295 T299 L300 E301 L334 I337 R338 I341M293-L297 PolarHBondContact O-N 3.41Å; T294-L297 WeakPolarHBondContact O-CB 3.49Å; T294-L297 PolarHBondContact O-N 3.02Å; L295-L297 VanDerWaalsContact C-N 3.33Å; L295-L297 PolarHBondContact O-N 3.01Å; L297-T299 VanDerWaalsContact C-N 3.29Å; L297-T299 PolarHBondContact O-N 3.27Å; L297-L300 PolarHBondContact O-N 3.14Å; L297-L300 VanDerWaalsContact O-N 3.11Å; L297-E301 HydrophobicContact CD1-CG 4.46Å; L297-E301 WeakPolarHBondContact O-CG 3.33Å; L297-E301 PolarHBondContact O-N 3.34Å; L297-L334 HydrophobicContact CD1-CD1 3.51Å; L297-I337 HydrophobicContact CB-CG2 3.93Å; L297-I337 HydrophobicContact CD1-CB 4.29Å; L297-I337 HydrophobicContact CD1-CG2 3.91Å; L297-I337 HydrophobicContact CD2-CG2 4.47Å; L297-I337 HydrophobicContact CG-CG2 4.32Å; L297-R338 HydrophobicContact CD1-CG 3.89Å; L297-I341 HydrophobicContact CD2-CB 4.03Å; L297-I341 HydrophobicContact CD2-CG2 3.53Å
298H88.5Confident91.1Very high80 Ų8036.1 Ų36.137%0.3717%0.171SC..Hα-helixtrans-62-37.5-179.5-119.343.4000112.6T294 L295 L300 E301 M302 L346T294-H298 PolarHBondContact O-N 3.47Å; L295-H298 PolarHBondContact O-N 2.97Å; H298-L300 VanDerWaalsContact C-N 3.33Å; H298-L300 PolarHBondContact O-N 2.96Å; H298-E301 IonicContact CE1-OE2 3.8Å; H298-E301 IonicContact CG-OE2 2.89Å; H298-E301 IonicContact ND1-OE2 3.37Å; H298-E301 PolarHBondContact ND1-OE2 2.83Å; H298-E301 PolarHBondContact O-N 2.84Å; H298-M302 WeakPolarHBondContact O-CG 3.43Å; H298-M302 PolarHBondContact O-N 2.85Å; H298-L346 HydrophobicContact CB-CD1 4.01Å
299T91.2Very high91.4Very high0 Ų032.8 Ų32.80%016%0.16CC..Hα-helixtrans-61.4-44.2175.4-58.20000110.7M264 I267 L295 L296 L297 E301 M302 L494M264-T299 HydrophobicContact CB-CG2 4.11Å; M264-T299 HydrophobicContact CE-CG2 3.77Å; M264-T299 WeakPolarHBondContact CE-O 3.27Å; M264-T299 HydrophobicContact CG-CG2 4.12Å; I267-T299 HydrophobicContact CB-CG2 3.97Å; I267-T299 HydrophobicContact CD1-CG2 3.83Å; I267-T299 HydrophobicContact CG1-CG2 3.96Å; L295-T299 WeakPolarHBondContact O-CB 3.39Å; L295-T299 PolarHBondContact O-N 2.93Å; L295-T299 PolarHBondContact O-OG1 3.36Å; L296-T299 PolarHBondContact O-N 3.18Å; L297-T299 VanDerWaalsContact C-N 3.29Å; L297-T299 PolarHBondContact O-N 3.27Å; T299-E301 VanDerWaalsContact C-N 3.33Å; T299-E301 PolarHBondContact O-N 2.8Å; T299-M302 PolarHBondContact O-N 3.33Å; T299-L494 HydrophobicContact CG2-CD2 4.38Å
300L92.4Very high91.8Very high6 Ų632.3 Ų32.33%0.03116%0.158CC..Hα-helixtrans-67.4-32.7177.7-71.3169.1000112.5L296 L297 H298 M302 V303 F330 L333 L334 I337 L491 L494L296-L300 HydrophobicContact CD1-CD1 4.24Å; L296-L300 HydrophobicContact CD1-CG 4.26Å; L296-L300 HydrophobicContact CG-CD1 4.09Å; L296-L300 WeakPolarHBondContact O-CG 3.44Å; L296-L300 PolarHBondContact O-N 3.48Å; L297-L300 PolarHBondContact O-N 3.14Å; L297-L300 VanDerWaalsContact O-N 3.11Å; H298-L300 VanDerWaalsContact C-N 3.33Å; H298-L300 PolarHBondContact O-N 2.96Å; L300-M302 PolarHBondContact O-N 3.03Å; L300-V303 HydrophobicContact CD2-CG2 4.41Å; L300-V303 WeakPolarHBondContact O-CB 3.29Å; L300-V303 WeakPolarHBondContact O-CG2 3.43Å; L300-V303 PolarHBondContact O-N 3Å; L300-F330 HydrophobicContact CD2-CD1 3.87Å; L300-L333 HydrophobicContact CD1-CB 3.96Å; L300-L334 HydrophobicContact CB-CB 4.4Å; L300-L334 HydrophobicContact CB-CD1 4.12Å; L300-I337 HydrophobicContact CD1-CD1 3.48Å; L300-I337 VanDerWaalsContact CD1-CD1 3.48Å; L300-L491 HydrophobicContact CD2-CD2 4.12Å; L300-L494 HydrophobicContact CD2-CD2 4.31Å
301E91.8Very high91.9Very high41 Ų4137.1 Ų37.119%0.19218%0.181CC..Hα-helixtrans-64.5-28.8173.1-68.8178.9141.400112.7L297 H298 T299 V303 P305 L334 R338L297-E301 HydrophobicContact CD1-CG 4.46Å; L297-E301 WeakPolarHBondContact O-CG 3.33Å; L297-E301 PolarHBondContact O-N 3.34Å; H298-E301 IonicContact CE1-OE2 3.8Å; H298-E301 IonicContact CG-OE2 2.89Å; H298-E301 IonicContact ND1-OE2 3.37Å; H298-E301 PolarHBondContact ND1-OE2 2.83Å; H298-E301 PolarHBondContact O-N 2.84Å; T299-E301 VanDerWaalsContact C-N 3.33Å; T299-E301 PolarHBondContact O-N 2.8Å; E301-V303 VanDerWaalsContact C-N 3.33Å; E301-P305 WeakPolarHBondContact O-CD 3.16Å; E301-L334 HydrophobicContact CG-CD1 3.75Å; E301-R338 IonicContact OE1-CZ 2.67Å; E301-R338 IonicContact OE1-NE 3.42Å; E301-R338 IonicContact OE1-NH2 3.15Å; E301-R338 PolarHBondContact OE1-NH2 3.31Å
302M92.1Very high92.1Very high39 Ų3935.2 Ų35.219%0.19218%0.18CC..THydrogen-bonded Turntrans-81.7-8.5177.6-65.6-56.4-57.800113.9N260 M264 H298 T299 L300 P305 L306N260-M302 HydrophobicContact CB-CE 4.2Å; N260-M302 VanDerWaalsContact OD1-CE 3.22Å; N260-M302 WeakPolarHBondContact OD1-CE 3.34Å; M264-M302 HydrophobicContact CE-CB 4.29Å; M264-M302 HydrophobicContact CG-CB 3.71Å; M264-M302 HydrophobicContact CG-CG 4.28Å; M264-M302 HydrophobicContact SD-CB 3.75Å; H298-M302 WeakPolarHBondContact O-CG 3.43Å; H298-M302 PolarHBondContact O-N 2.85Å; T299-M302 PolarHBondContact O-N 3.33Å; L300-M302 PolarHBondContact O-N 3.03Å; M302-P305 HydrophobicContact CE-CB 4.22Å; M302-P305 HydrophobicContact CE-CG 4.44Å; M302-P305 WeakPolarHBondContact O-CD 3.26Å; M302-L306 VanDerWaalsContact O-CB 3.24Å; M302-L306 WeakPolarHBondContact O-CB 3.45Å; M302-L306 PolarHBondContact O-N 3.34Å
303V94.6Very high92.4Very high8 Ų834.8 Ų34.85%0.04818%0.178CC..Hα-helixtrans-63.2-44.4179.2174.90000111.4M264 L300 E301 L306 L307 L325 F330 L494M264-V303 HydrophobicContact CE-CG2 4.12Å; L300-V303 HydrophobicContact CD2-CG2 4.41Å; L300-V303 WeakPolarHBondContact O-CB 3.29Å; L300-V303 WeakPolarHBondContact O-CG2 3.43Å; L300-V303 PolarHBondContact O-N 3Å; E301-V303 VanDerWaalsContact C-N 3.33Å; V303-L306 PolarHBondContact O-N 3.27Å; V303-L307 WeakPolarHBondContact O-CB 3.31Å; V303-L307 PolarHBondContact O-N 3.31Å; V303-L325 HydrophobicContact CG1-CB 4.35Å; V303-L325 HydrophobicContact CG1-CD2 4.37Å; V303-F330 HydrophobicContact CG1-CB 4.47Å; V303-F330 HydrophobicContact CG1-CD2 4.37Å; V303-F330 HydrophobicContact CG1-CG 4.29Å; V303-L494 HydrophobicContact CG2-CD1 4.02Å; V303-L494 HydrophobicContact CG2-CD2 3.77Å
304E94.2Very high92.5Very high130 Ų13043.4 Ų43.461%0.60722%0.218SC*.Hα-helixtrans-67.7-47.3-179.8178.3177.8-163.500112.4L306 L307 H308E304-L306 VanDerWaalsContact C-N 3.28Å; E304-L306 PolarHBondContact O-N 3.03Å; E304-L307 WeakPolarHBondContact O-CB 3.3Å; E304-L307 PolarHBondContact O-N 3.48Å; E304-H308 PolarHBondContact O-N 3Å; E304-H308 PolarHBondContact O-ND1 3.34Å; E304-H308 IonicContact OE1-CE1 3.51Å
305P94.6Very high92.6Very high51 Ų5144 Ų4433%0.33122%0.221SC..Hα-helixtrans-55.9-39.3169.6-27.633.6000114E301 M302 T309E301-P305 WeakPolarHBondContact O-CD 3.16Å; M302-P305 HydrophobicContact CE-CB 4.22Å; M302-P305 HydrophobicContact CE-CG 4.44Å; M302-P305 WeakPolarHBondContact O-CD 3.26Å; P305-T309 PolarHBondContact O-N 2.86Å; P305-T309 VanDerWaalsContact O-N 3.12Å; P305-T309 PolarHBondContact O-OG1 2.99Å
306L95.1Very high92.8Very high0 Ų045 Ų450%024%0.239CC..Hα-helixtrans-64.4-44.6176.6-179.761.7000111.1L257 N260 M264 M302 V303 E304 T309 L310 L325 L501L257-L306 HydrophobicContact CD2-CD1 3.71Å; N260-L306 HydrophobicContact CB-CD1 4.24Å; M264-L306 HydrophobicContact CE-CD2 4.33Å; M264-L306 HydrophobicContact SD-CD2 4.04Å; M302-L306 VanDerWaalsContact O-CB 3.24Å; M302-L306 WeakPolarHBondContact O-CB 3.45Å; M302-L306 PolarHBondContact O-N 3.34Å; V303-L306 PolarHBondContact O-N 3.27Å; E304-L306 VanDerWaalsContact C-N 3.28Å; E304-L306 PolarHBondContact O-N 3.03Å; L306-T309 WeakPolarHBondContact O-CB 3.46Å; L306-T309 PolarHBondContact O-N 3.02Å; L306-L310 HydrophobicContact CD1-CD1 4.46Å; L306-L310 HydrophobicContact CD1-CG 4.46Å; L306-L310 HydrophobicContact CG-CD1 4.15Å; L306-L310 WeakPolarHBondContact O-CG 3.33Å; L306-L310 PolarHBondContact O-N 2.9Å; L306-L325 HydrophobicContact CD2-CD1 3.76Å; L306-L325 HydrophobicContact CG-CD1 3.95Å; L306-L501 HydrophobicContact CD1-CD1 4.27Å; L306-L501 HydrophobicContact CD2-CD1 4.48Å
307L95.2Very high92.8Very high24 Ų2446.3 Ų46.313%0.12625%0.246CC..Hα-helixtrans-57.8-50.9176.8177.164.3000111.7V303 E304 T309 L310 E311 A322 L325 Q326V303-L307 WeakPolarHBondContact O-CB 3.31Å; V303-L307 PolarHBondContact O-N 3.31Å; E304-L307 WeakPolarHBondContact O-CB 3.3Å; E304-L307 PolarHBondContact O-N 3.48Å; L307-T309 PolarHBondContact O-N 2.66Å; L307-L310 PolarHBondContact O-N 2.74Å; L307-E311 HydrophobicContact CD1-CG 4.36Å; L307-E311 WeakPolarHBondContact O-CG 3.48Å; L307-E311 PolarHBondContact O-N 3.3Å; L307-A322 HydrophobicContact CD1-CB 3.68Å; L307-A322 WeakPolarHBondContact CD1-O 3.4Å; L307-L325 HydrophobicContact CD1-CB 4.29Å; L307-Q326 HydrophobicContact CD1-CG 3.81Å; L307-Q326 HydrophobicContact CD2-CG 3.76Å; L307-Q326 HydrophobicContact CG-CG 4.44Å
308H94Very high93Very high109 Ų10946.1 Ų46.151%0.50525%0.245SC..Hα-helixtrans-59.1-35177.9-7484.5000112.3E304E304-H308 PolarHBondContact O-N 3Å; E304-H308 PolarHBondContact O-ND1 3.34Å; E304-H308 IonicContact OE1-CE1 3.51Å
309T94.9Very high93.3Very high18 Ų1849.1 Ų49.111%0.1126%0.257CS..Hα-helixtrans-69.8-41.5176.5-48.90000110.8N256 L257 N260 P305 L306 L307 E311 S312 F313N256-T309 HydrophobicContact CB-CG2 3.76Å; L257-T309 HydrophobicContact CD2-CG2 3.61Å; L257-T309 HydrophobicContact CG-CG2 3.67Å; N260-T309 PolarHBondContact ND2-OG1 2.75Å; N260-T309 VanDerWaalsContact ND2-OG1 3.11Å; P305-T309 PolarHBondContact O-N 2.86Å; P305-T309 VanDerWaalsContact O-N 3.12Å; P305-T309 PolarHBondContact O-OG1 2.99Å; L306-T309 WeakPolarHBondContact O-CB 3.46Å; L306-T309 PolarHBondContact O-N 3.02Å; L307-T309 PolarHBondContact O-N 2.66Å; T309-E311 PolarHBondContact O-N 2.73Å; T309-S312 WeakPolarHBondContact O-CB 3.48Å; T309-S312 PolarHBondContact O-N 3.08Å; T309-S312 PolarHBondContact O-OG 3.32Å; T309-F313 HydrophobicContact CG2-CE2 4.4Å; T309-F313 VanDerWaalsContact O-CD2 3.25Å; T309-F313 WeakPolarHBondContact O-CD2 3.33Å; T309-F313 VanDerWaalsContact O-CE2 3.3Å; T309-F313 WeakPolarHBondContact O-CE2 3.46Å
310L94.8Very high93.4Very high1 Ų151.4 Ų51.41%0.00527%0.273CS..Hα-helixtrans-66.2-35.2178.2-70.4169.8000112.9L257 L306 L307 S312 F313 F318 A322 L325 L501L257-L310 HydrophobicContact CD2-CD2 3.84Å; L257-L310 HydrophobicContact CD2-CG 4.15Å; L306-L310 HydrophobicContact CD1-CD1 4.46Å; L306-L310 HydrophobicContact CD1-CG 4.46Å; L306-L310 HydrophobicContact CG-CD1 4.15Å; L306-L310 WeakPolarHBondContact O-CG 3.33Å; L306-L310 PolarHBondContact O-N 2.9Å; L307-L310 PolarHBondContact O-N 2.74Å; L310-S312 PolarHBondContact O-N 2.88Å; L310-F313 PolarHBondContact O-N 2.93Å; L310-F313 VanDerWaalsContact O-N 3.1Å; L310-F318 HydrophobicContact CD2-CB 4.25Å; L310-F318 HydrophobicContact CD2-CD1 4.01Å; L310-F318 HydrophobicContact CD2-CG 4.42Å; L310-A322 HydrophobicContact CB-CB 4.15Å; L310-L325 HydrophobicContact CD1-CD1 3.69Å; L310-L501 HydrophobicContact CD1-CD1 4.23Å; L310-L501 HydrophobicContact CD2-CD1 4.04Å; L310-L501 HydrophobicContact CD2-CD2 3.8Å
311E92.6Very high93.5Very high103 Ų10352.6 Ų52.648%0.48128%0.277SS..THydrogen-bonded Turntrans-65.2-16.1176.8-72.7177.7172.100113.5L307 T309 F313 Q326L307-E311 HydrophobicContact CD1-CG 4.36Å; L307-E311 WeakPolarHBondContact O-CG 3.48Å; L307-E311 PolarHBondContact O-N 3.3Å; T309-E311 PolarHBondContact O-N 2.73Å; E311-F313 PolarHBondContact O-N 2.82Å; E311-Q326 PolarHBondContact OE1-NE2 3.33Å; E311-Q326 VanDerWaalsContact OE1-NE2 3.16Å
312S91.7Very high93.6Very high63 Ų6350.9 Ų50.944%0.44127%0.27SS..THydrogen-bonded Turntrans-74.6-10.8173.776.10000114T309 L310T309-S312 WeakPolarHBondContact O-CB 3.48Å; T309-S312 PolarHBondContact O-N 3.08Å; T309-S312 PolarHBondContact O-OG 3.32Å; L310-S312 PolarHBondContact O-N 2.88Å
313F94Very high93.7Very high13 Ų1356.1 Ų56.16%0.05729%0.292CS..  trans-104.7153.2-179.5-59.5-84000112.3E246 L247 N250 L257 T309 L310 E311 F318E246-F313 HydrophobicContact CG-CD1 3.97Å; E246-F313 WeakPolarHBondContact OE1-CA 3.44Å; L247-F313 HydrophobicContact CD2-CD1 4.5Å; L247-F313 HydrophobicContact CD2-CE1 3.64Å; L247-F313 HydrophobicContact CD2-CZ 3.64Å; N250-F313 HydrophobicContact CB-CE1 4.07Å; L257-F313 HydrophobicContact CD1-CD2 4.46Å; L257-F313 HydrophobicContact CD1-CE2 3.54Å; L257-F313 HydrophobicContact CD1-CZ 3.76Å; L257-F313 HydrophobicContact CG-CE2 4.01Å; L257-F313 HydrophobicContact CG-CZ 4.4Å; T309-F313 HydrophobicContact CG2-CE2 4.4Å; T309-F313 VanDerWaalsContact O-CD2 3.25Å; T309-F313 WeakPolarHBondContact O-CD2 3.33Å; T309-F313 VanDerWaalsContact O-CE2 3.3Å; T309-F313 WeakPolarHBondContact O-CE2 3.46Å; L310-F313 PolarHBondContact O-N 2.93Å; L310-F313 VanDerWaalsContact O-N 3.1Å; E311-F313 PolarHBondContact O-N 2.82Å; F313-F318 HydrophobicContact CB-CB 4.03Å; F313-F318 HydrophobicContact CB-CD2 3.49Å; F313-F318 VanDerWaalsContact CB-CD2 3.49Å; F313-F318 HydrophobicContact CB-CE2 4.28Å; F313-F318 HydrophobicContact CB-CG 4.08Å; F313-F318 HydrophobicContact CD1-CD2 4.24Å; F313-F318 HydrophobicContact CD1-CE2 4.22Å; F313-F318 HydrophobicContact CD2-CD2 4.43Å; F313-F318 AromaticContact CG-CD2 3.83Å; F313-F318 HydrophobicContact CG-CD2 3.83Å; F313-F318 HydrophobicContact CG-CE2 4.23Å; F313-F318 HydrophobicContact CG-CG 4.42Å
314Q92.2Very high93.7Very high182 Ų18258.3 Ų58.385%0.8531%0.305SS*.  trans-104.3-18.7-175.9-59-176.611.100113.1E246E246-Q314 PolarHBondContact OE1-N 2.76Å; E246-Q314 PolarHBondContact OE2-N 3.22Å
315N92Very high93.7Very high19 Ų1952.4 Ų52.410%0.10228%0.278CS..SBendtrans-61.9139.6-179.3-176.2-70.2000112.2D239 S242 A243 E246 L317 F318 F319D239-N315 PolarHBondContact O-ND2 2.84Å; S242-N315 VanDerWaalsContact CB-ND2 3.27Å; S242-N315 WeakPolarHBondContact CB-ND2 3.29Å; A243-N315 PolarHBondContact N-ND2 3.47Å; E246-N315 WeakPolarHBondContact OE2-CB 3.38Å; E246-N315 PolarHBondContact OE2-N 2.73Å; N315-L317 PolarHBondContact O-N 3.12Å; N315-L317 WeakPolarHBondContact OD1-CB 3.35Å; N315-L317 PolarHBondContact OD1-N 3.25Å; N315-F318 HydrophobicContact CB-CD2 3.74Å; N315-F318 HydrophobicContact CB-CE2 4.11Å; N315-F318 PolarHBondContact O-N 3.37Å; N315-F318 VanDerWaalsContact O-N 3.11Å; N315-F319 PolarHBondContact O-N 3.27Å; N315-F319 VanDerWaalsContact O-N 3.12Å
316G90.9Very high93.7Very high53 Ų5355 Ų5555%0.54629%0.286SS..Hα-helixtrans-58.1-30.6-177.700000114.6S320G316-S320 WeakPolarHBondContact O-CB 3.47Å; G316-S320 PolarHBondContact O-N 3.47Å
317L91.3Very high93.6Very high29 Ų2957.3 Ų57.315%0.15230%0.298CS..Hα-helixtrans-65.8-47.1174.9-74.5173.2000111.5D239 R240 A243 N315 F319 S320 Y321 I504D239-L317 HydrophobicContact CB-CD1 3.79Å; D239-L317 HydrophobicContact CB-CD2 4.44Å; D239-L317 HydrophobicContact CB-CG 3.94Å; R240-L317 HydrophobicContact CG-CD1 4.11Å; A243-L317 HydrophobicContact CB-CD1 4.13Å; N315-L317 PolarHBondContact O-N 3.12Å; N315-L317 WeakPolarHBondContact OD1-CB 3.35Å; N315-L317 PolarHBondContact OD1-N 3.25Å; L317-F319 VanDerWaalsContact C-N 3.34Å; L317-F319 PolarHBondContact O-N 3.3Å; L317-S320 WeakPolarHBondContact O-CB 3.37Å; L317-S320 PolarHBondContact O-N 3.1Å; L317-S320 VanDerWaalsContact O-N 3.13Å; L317-S320 PolarHBondContact O-OG 2.64Å; L317-Y321 HydrophobicContact CB-CE2 4.35Å; L317-Y321 WeakPolarHBondContact O-CD2 3.37Å; L317-Y321 VanDerWaalsContact O-CG 3.29Å; L317-Y321 PolarHBondContact O-N 3.09Å; L317-I504 HydrophobicContact CD1-CD1 4.42Å
318F94.6Very high93.5Very high0 Ų062 Ų620%032%0.323CS..Hα-helixtrans-66.9-38.2179.9-58.2-46.9000111.6A243 L247 L310 F313 N315 S320 Y321 A322 L501A243-F318 HydrophobicContact CB-CE1 4.37Å; A243-F318 HydrophobicContact CB-CE2 3.93Å; A243-F318 HydrophobicContact CB-CZ 3.67Å; L247-F318 HydrophobicContact CD1-CE1 4.46Å; L247-F318 HydrophobicContact CD1-CZ 3.72Å; L247-F318 HydrophobicContact CD2-CE2 4.5Å; L247-F318 HydrophobicContact CD2-CZ 4.09Å; L247-F318 HydrophobicContact CG-CE2 4.19Å; L247-F318 HydrophobicContact CG-CZ 3.74Å; L310-F318 HydrophobicContact CD2-CB 4.25Å; L310-F318 HydrophobicContact CD2-CD1 4.01Å; L310-F318 HydrophobicContact CD2-CG 4.42Å; F313-F318 HydrophobicContact CB-CB 4.03Å; F313-F318 HydrophobicContact CB-CD2 3.49Å; F313-F318 VanDerWaalsContact CB-CD2 3.49Å; F313-F318 HydrophobicContact CB-CE2 4.28Å; F313-F318 HydrophobicContact CB-CG 4.08Å; F313-F318 HydrophobicContact CD1-CD2 4.24Å; F313-F318 HydrophobicContact CD1-CE2 4.22Å; F313-F318 HydrophobicContact CD2-CD2 4.43Å; F313-F318 AromaticContact CG-CD2 3.83Å; F313-F318 HydrophobicContact CG-CD2 3.83Å; F313-F318 HydrophobicContact CG-CE2 4.23Å; F313-F318 HydrophobicContact CG-CG 4.42Å; N315-F318 HydrophobicContact CB-CD2 3.74Å; N315-F318 HydrophobicContact CB-CE2 4.11Å; N315-F318 PolarHBondContact O-N 3.37Å; N315-F318 VanDerWaalsContact O-N 3.11Å; F318-S320 VanDerWaalsContact C-N 3.3Å; F318-S320 PolarHBondContact O-N 3.46Å; F318-Y321 HydrophobicContact CD1-CD2 4.21Å; F318-Y321 HydrophobicContact CD1-CE2 4.49Å; F318-Y321 PolarHBondContact O-N 3.1Å; F318-A322 WeakPolarHBondContact O-CB 3.46Å; F318-A322 PolarHBondContact O-N 3.09Å; F318-L501 HydrophobicContact CD1-CD2 3.82Å; F318-L501 HydrophobicContact CE1-CD2 3.78Å
319F94.1Very high93.5Very high143 Ų14358.7 Ų58.763%0.62731%0.306SS*.Hα-helixtrans-60.1-40.9171-178.9-98.2000112.1N315 L317 A322 K323N315-F319 PolarHBondContact O-N 3.27Å; N315-F319 VanDerWaalsContact O-N 3.12Å; L317-F319 VanDerWaalsContact C-N 3.34Å; L317-F319 PolarHBondContact O-N 3.3Å; F319-A322 PolarHBondContact O-N 3.37Å; F319-K323 WeakPolarHBondContact O-CB 3.22Å; F319-K323 PolarHBondContact O-N 2.91Å
320S93.8Very high93.5Very high47 Ų4758.3 Ų58.333%0.32930%0.303SS..Hα-helixtrans-64.1-41177.480.80000111.9G316 L317 F318 K323 V324G316-S320 WeakPolarHBondContact O-CB 3.47Å; G316-S320 PolarHBondContact O-N 3.47Å; L317-S320 WeakPolarHBondContact O-CB 3.37Å; L317-S320 PolarHBondContact O-N 3.1Å; L317-S320 VanDerWaalsContact O-N 3.13Å; L317-S320 PolarHBondContact O-OG 2.64Å; F318-S320 VanDerWaalsContact C-N 3.3Å; F318-S320 PolarHBondContact O-N 3.46Å; S320-K323 PolarHBondContact O-N 2.99Å; S320-V324 WeakPolarHBondContact O-CG2 3.45Å; S320-V324 PolarHBondContact O-N 3Å; S320-V324 VanDerWaalsContact O-N 3.17Å
321Y94.6Very high93.4Very high32 Ų3262.8 Ų62.813%0.12533%0.33CS..Hα-helixtrans-67.4-44.9175.4-59.9-26.9000111.9L317 F318 K323 V324 L325 V497 S500 L501 I504L317-Y321 HydrophobicContact CB-CE2 4.35Å; L317-Y321 WeakPolarHBondContact O-CD2 3.37Å; L317-Y321 VanDerWaalsContact O-CG 3.29Å; L317-Y321 PolarHBondContact O-N 3.09Å; F318-Y321 HydrophobicContact CD1-CD2 4.21Å; F318-Y321 HydrophobicContact CD1-CE2 4.49Å; F318-Y321 PolarHBondContact O-N 3.1Å; Y321-K323 VanDerWaalsContact C-N 3.28Å; Y321-K323 PolarHBondContact O-N 3Å; Y321-V324 WeakPolarHBondContact O-CB 3.33Å; Y321-V324 PolarHBondContact O-N 3.13Å; Y321-V324 VanDerWaalsContact O-N 3.11Å; Y321-L325 WeakPolarHBondContact O-CG 3.47Å; Y321-L325 PolarHBondContact O-N 2.89Å; Y321-V497 HydrophobicContact CD1-CG1 4.5Å; Y321-V497 HydrophobicContact CD1-CG2 4.04Å; Y321-V497 HydrophobicContact CG-CG1 4.11Å; Y321-V497 HydrophobicContact CG-CG2 4.4Å; Y321-S500 WeakPolarHBondContact OH-CB 3.02Å; Y321-L501 HydrophobicContact CD2-CD2 3.68Å; Y321-L501 HydrophobicContact CD2-CG 3.93Å; Y321-L501 HydrophobicContact CE2-CD2 3.92Å; Y321-L501 HydrophobicContact CE2-CG 4.17Å; Y321-I504 HydrophobicContact CE2-CD1 4.45Å
322A94.9Very high93.5Very high5 Ų560.8 Ų60.84%0.04132%0.323CS..Hα-helixtrans-56.3-44.4175.400000111.2L307 L310 F318 F319 V324 L325 Q326L307-A322 HydrophobicContact CD1-CB 3.68Å; L307-A322 WeakPolarHBondContact CD1-O 3.4Å; L310-A322 HydrophobicContact CB-CB 4.15Å; F318-A322 WeakPolarHBondContact O-CB 3.46Å; F318-A322 PolarHBondContact O-N 3.09Å; F319-A322 PolarHBondContact O-N 3.37Å; A322-V324 VanDerWaalsContact C-N 3.32Å; A322-V324 PolarHBondContact O-N 3.39Å; A322-L325 CarbonylContact O-C 3.43Å; A322-L325 PolarHBondContact O-N 3.25Å; A322-L325 VanDerWaalsContact O-N 3.09Å; A322-Q326 WeakPolarHBondContact O-CG 3.28Å; A322-Q326 PolarHBondContact O-N 3.45Å
323K94.6Very high93.6Very high148 Ų14857.8 Ų57.864%0.64330%0.302SS*.Hα-helixtrans-60.5-38.8176.7-173.2-178.8179-175.70113F319 S320 Y321 L325 Q326F319-K323 WeakPolarHBondContact O-CB 3.22Å; F319-K323 PolarHBondContact O-N 2.91Å; S320-K323 PolarHBondContact O-N 2.99Å; Y321-K323 VanDerWaalsContact C-N 3.28Å; Y321-K323 PolarHBondContact O-N 3Å; K323-L325 VanDerWaalsContact C-N 3.34Å; K323-Q326 PolarHBondContact O-N 3.5Å
324V93.2Very high93.6Very high55 Ų5558.4 Ų58.433%0.33331%0.305SS..Hα-helixtrans-65.5-39.4174.7171.20000110.9S320 Y321 A322 Q326 D327 D493 V497S320-V324 WeakPolarHBondContact O-CG2 3.45Å; S320-V324 PolarHBondContact O-N 3Å; S320-V324 VanDerWaalsContact O-N 3.17Å; Y321-V324 WeakPolarHBondContact O-CB 3.33Å; Y321-V324 PolarHBondContact O-N 3.13Å; Y321-V324 VanDerWaalsContact O-N 3.11Å; A322-V324 VanDerWaalsContact C-N 3.32Å; A322-V324 PolarHBondContact O-N 3.39Å; V324-Q326 VanDerWaalsContact C-N 3.33Å; V324-Q326 PolarHBondContact O-N 2.95Å; V324-D327 WeakPolarHBondContact O-CB 3.4Å; V324-D493 HydrophobicContact CG1-CB 3.67Å; V324-V497 HydrophobicContact CB-CG2 4.32Å; V324-V497 HydrophobicContact CG1-CG2 4.01Å
325L94.5Very high93.7Very high6 Ų652.5 Ų52.53%0.03128%0.284CS..Hα-helixtrans-75.8-16.4180-63.3-176.3000114.4V303 L306 L307 L310 Y321 A322 K323 D327 F330 L494 V497V303-L325 HydrophobicContact CG1-CB 4.35Å; V303-L325 HydrophobicContact CG1-CD2 4.37Å; L306-L325 HydrophobicContact CD2-CD1 3.76Å; L306-L325 HydrophobicContact CG-CD1 3.95Å; L307-L325 HydrophobicContact CD1-CB 4.29Å; L310-L325 HydrophobicContact CD1-CD1 3.69Å; Y321-L325 WeakPolarHBondContact O-CG 3.47Å; Y321-L325 PolarHBondContact O-N 2.89Å; A322-L325 CarbonylContact O-C 3.43Å; A322-L325 PolarHBondContact O-N 3.25Å; A322-L325 VanDerWaalsContact O-N 3.09Å; K323-L325 VanDerWaalsContact C-N 3.34Å; L325-D327 PolarHBondContact O-N 3.06Å; L325-F330 HydrophobicContact CD2-CE2 4.3Å; L325-F330 HydrophobicContact CD2-CZ 4.39Å; L325-F330 WeakPolarHBondContact O-CD2 3.37Å; L325-L494 HydrophobicContact CD2-CD1 3.49Å; L325-L494 VanDerWaalsContact CD2-CD1 3.49Å; L325-V497 HydrophobicContact CD1-CG1 4.22Å; L325-V497 HydrophobicContact CD2-CG1 4.36Å; L325-V497 HydrophobicContact CG-CG1 4.36Å
326Q94.5Very high93.8Very high106 Ų10652.3 Ų52.350%0.49528%0.284SS..THydrogen-bonded Turntrans-74.27174-76.7172.90.400113.7L307 E311 A322 K323 V324 D328L307-Q326 HydrophobicContact CD1-CG 3.81Å; L307-Q326 HydrophobicContact CD2-CG 3.76Å; L307-Q326 HydrophobicContact CG-CG 4.44Å; E311-Q326 PolarHBondContact OE1-NE2 3.33Å; E311-Q326 VanDerWaalsContact OE1-NE2 3.16Å; A322-Q326 WeakPolarHBondContact O-CG 3.28Å; A322-Q326 PolarHBondContact O-N 3.45Å; K323-Q326 PolarHBondContact O-N 3.5Å; V324-Q326 VanDerWaalsContact C-N 3.33Å; V324-Q326 PolarHBondContact O-N 2.95Å; Q326-D328 PolarHBondContact O-N 3.45Å
327D93.1Very high93.9Very high48 Ų4849.8 Ų49.826%0.25726%0.258SS..  trans-69.6123.7179.9-165.4-42.4000112.6V324 L325 R329 F330V324-D327 WeakPolarHBondContact O-CB 3.4Å; L325-D327 PolarHBondContact O-N 3.06Å; D327-R329 VanDerWaalsContact CG-NE 3.27Å; D327-R329 PolarHBondContact O-N 3.26Å; D327-R329 WeakPolarHBondContact OD1-CB 3.5Å; D327-R329 WeakPolarHBondContact OD1-CG 3.19Å; D327-R329 PolarHBondContact OD1-N 3.06Å; D327-R329 IonicContact OD1-NE 2.66Å; D327-R329 PolarHBondContact OD1-NE 3.25Å; D327-R329 VanDerWaalsContact OD1-NE 3.15Å; D327-R329 IonicContact OD2-CZ 3.76Å; D327-R329 IonicContact OD2-NE 3.32Å; D327-R329 PolarHBondContact OD2-NE 3.46Å; D327-R329 IonicContact OD2-NH2 3.45Å; D327-R329 PolarHBondContact OD2-NH2 3.07Å; D327-F330 HydrophobicContact CB-CD2 3.9Å; D327-F330 HydrophobicContact CB-CE2 3.9Å; D327-F330 WeakPolarHBondContact O-CD2 3.34Å; D327-F330 PolarHBondContact O-N 3.15Å
328D93.5Very high94Very high122 Ų12252.8 Ų52.865%0.65227%0.267SS*.Hα-helixtrans-56.3-22.6178.2-67.9-32.5000113.3Q326 F330 V331 N332Q326-D328 PolarHBondContact O-N 3.45Å; D328-F330 PolarHBondContact O-N 3.43Å; D328-V331 PolarHBondContact O-N 3.07Å; D328-N332 PolarHBondContact O-N 3.01Å; D328-N332 PolarHBondContact O-ND2 2.79Å
329R93.4Very high93.9Very high40 Ų4059.5 Ų59.515%0.15129%0.292CS..Hα-helixtrans-57.3-33.6174.7-68.3179.9-67.1164.57.4112E124 D327 N332 L333 Y487 S489 C490 D493E124-R329 IonicContact OE1-CZ 2.68Å; E124-R329 IonicContact OE1-NH1 3.07Å; E124-R329 PolarHBondContact OE1-NH1 3.22Å; E124-R329 IonicContact OE2-CZ 3.97Å; E124-R329 IonicContact OE2-NH1 2.85Å; E124-R329 PolarHBondContact OE2-NH1 3.27Å; E124-R329 IonicContact OE2-NH2 2.92Å; D327-R329 VanDerWaalsContact CG-NE 3.27Å; D327-R329 PolarHBondContact O-N 3.26Å; D327-R329 WeakPolarHBondContact OD1-CB 3.5Å; D327-R329 WeakPolarHBondContact OD1-CG 3.19Å; D327-R329 PolarHBondContact OD1-N 3.06Å; D327-R329 IonicContact OD1-NE 2.66Å; D327-R329 PolarHBondContact OD1-NE 3.25Å; D327-R329 VanDerWaalsContact OD1-NE 3.15Å; D327-R329 IonicContact OD2-CZ 3.76Å; D327-R329 IonicContact OD2-NE 3.32Å; D327-R329 PolarHBondContact OD2-NE 3.46Å; D327-R329 IonicContact OD2-NH2 3.45Å; D327-R329 PolarHBondContact OD2-NH2 3.07Å; R329-N332 PolarHBondContact O-N 3.46Å; R329-L333 WeakPolarHBondContact O-CB 3.38Å; R329-L333 WeakPolarHBondContact O-CG 3.44Å; R329-L333 PolarHBondContact O-N 3.03Å; R329-Y487 HydrophobicContact CG-CD1 4.23Å; R329-S489 PolarHBondContact NH1-OG 3.17Å; R329-C490 HydrophobicContact CB-CB 4.07Å; R329-D493 IonicContact NH2-OD2 3.81Å; R329-D493 PolarHBondContact NH2-OD2 3.48Å
330F94.6Very high93.9Very high10 Ų1053.6 Ų53.64%0.04427%0.266CS..Hα-helixtrans-65.5-44.2176.4-66.6-61.7000112.2L300 V303 L325 D327 D328 N332 L333 L334 C490 L494L300-F330 HydrophobicContact CD2-CD1 3.87Å; V303-F330 HydrophobicContact CG1-CB 4.47Å; V303-F330 HydrophobicContact CG1-CD2 4.37Å; V303-F330 HydrophobicContact CG1-CG 4.29Å; L325-F330 HydrophobicContact CD2-CE2 4.3Å; L325-F330 HydrophobicContact CD2-CZ 4.39Å; L325-F330 WeakPolarHBondContact O-CD2 3.37Å; D327-F330 HydrophobicContact CB-CD2 3.9Å; D327-F330 HydrophobicContact CB-CE2 3.9Å; D327-F330 WeakPolarHBondContact O-CD2 3.34Å; D327-F330 PolarHBondContact O-N 3.15Å; D328-F330 PolarHBondContact O-N 3.43Å; F330-N332 VanDerWaalsContact C-N 3.33Å; F330-N332 PolarHBondContact O-N 3.06Å; F330-L333 PolarHBondContact O-N 3Å; F330-L334 WeakPolarHBondContact O-CB 3.43Å; F330-L334 PolarHBondContact O-N 3.01Å; F330-C490 HydrophobicContact CD1-CB 4.38Å; F330-C490 VanDerWaalsContact CD1-SG 3.57Å; F330-C490 HydrophobicContact CE1-CB 3.77Å; F330-C490 WeakPolarHBondContact CE1-O 3.42Å; F330-C490 WeakPolarHBondContact CE1-SG 3.42Å; F330-C490 HydrophobicContact CE2-CB 4.24Å; F330-C490 HydrophobicContact CZ-CB 3.69Å; F330-C490 VanDerWaalsContact CZ-O 3.3Å; F330-C490 WeakPolarHBondContact CZ-O 3.41Å; F330-L494 HydrophobicContact CD1-CD2 4.4Å; F330-L494 HydrophobicContact CE1-CB 3.76Å; F330-L494 HydrophobicContact CE1-CD2 3.91Å; F330-L494 HydrophobicContact CE1-CG 4.31Å; F330-L494 HydrophobicContact CZ-CB 3.93Å
331V93.9Very high93.8Very high95 Ų9551.3 Ų51.358%0.57625%0.25SS*.Hα-helixtrans-64.8-41.5177.3-1780000110.4D328 L334 S335D328-V331 PolarHBondContact O-N 3.07Å; V331-L334 PolarHBondContact O-N 3.4Å; V331-S335 WeakPolarHBondContact O-CB 3.28Å; V331-S335 PolarHBondContact O-N 3.45Å; V331-S335 PolarHBondContact O-OG 3.32Å; V331-S335 VanDerWaalsContact O-OG 3.12Å
332N94.7Very high93.3Very high61 Ų6153.6 Ų53.633%0.32626%0.262SS..Hα-helixtrans-64.3-43176.5-72-44.6000112.2D328 R329 F330 S335 T336 Y487D328-N332 PolarHBondContact O-N 3.01Å; D328-N332 PolarHBondContact O-ND2 2.79Å; R329-N332 PolarHBondContact O-N 3.46Å; F330-N332 VanDerWaalsContact C-N 3.33Å; F330-N332 PolarHBondContact O-N 3.06Å; N332-S335 PolarHBondContact O-OG 2.98Å; N332-T336 WeakPolarHBondContact O-CB 3.17Å; N332-T336 PolarHBondContact O-N 3Å; N332-T336 PolarHBondContact O-OG1 2.91Å; N332-Y487 HydrophobicContact CB-CD1 4.23Å; N332-Y487 HydrophobicContact CB-CD2 4.32Å; N332-Y487 HydrophobicContact CB-CE1 4.05Å; N332-Y487 HydrophobicContact CB-CE2 4.13Å; N332-Y487 HydrophobicContact CB-CG 4.37Å
333L93.6Very high92Very high0 Ų056.9 Ų56.90%028%0.279CS..Hα-helixtrans-60.8-51.6172.9-80.4168.3000111.3L300 R329 F330 S335 T336 I337 M484 Y487 C490 L491L300-L333 HydrophobicContact CD1-CB 3.96Å; R329-L333 WeakPolarHBondContact O-CB 3.38Å; R329-L333 WeakPolarHBondContact O-CG 3.44Å; R329-L333 PolarHBondContact O-N 3.03Å; F330-L333 PolarHBondContact O-N 3Å; L333-S335 VanDerWaalsContact C-N 3.34Å; L333-S335 PolarHBondContact O-N 2.98Å; L333-T336 PolarHBondContact O-N 3.02Å; L333-T336 VanDerWaalsContact O-N 3.11Å; L333-I337 WeakPolarHBondContact O-CG1 3.2Å; L333-I337 PolarHBondContact O-N 2.99Å; L333-M484 HydrophobicContact CD2-CB 3.87Å; L333-M484 HydrophobicContact CD2-CE 3.53Å; L333-M484 HydrophobicContact CD2-CG 3.99Å; L333-Y487 HydrophobicContact CD2-CD2 4.45Å; L333-Y487 HydrophobicContact CG-CG 4.44Å; L333-C490 WeakPolarHBondContact CD1-SG 3.39Å; L333-L491 HydrophobicContact CD1-CD2 4Å; L333-L491 HydrophobicContact CD1-CG 4.21Å
334L93.6Very high90.5Very high25 Ų2555.9 Ų55.913%0.13128%0.281CS..Hα-helixtrans-58.3-46.7-178.2178.359.4000111.4L297 L300 E301 F330 V331 T336 I337 R338L297-L334 HydrophobicContact CD1-CD1 3.51Å; L300-L334 HydrophobicContact CB-CB 4.4Å; L300-L334 HydrophobicContact CB-CD1 4.12Å; E301-L334 HydrophobicContact CG-CD1 3.75Å; F330-L334 WeakPolarHBondContact O-CB 3.43Å; F330-L334 PolarHBondContact O-N 3.01Å; V331-L334 PolarHBondContact O-N 3.4Å; L334-T336 VanDerWaalsContact C-N 3.32Å; L334-T336 PolarHBondContact O-N 3.25Å; L334-I337 PolarHBondContact O-N 2.86Å; L334-R338 HydrophobicContact CD1-CG 4.29Å; L334-R338 WeakPolarHBondContact O-CB 3.43Å; L334-R338 WeakPolarHBondContact O-CG 3.46Å; L334-R338 PolarHBondContact O-N 3.12Å
335S93.7Very high88.9Confident58 Ų5853.7 Ų53.741%0.40627%0.268SS..Hα-helixtrans-63-37.6177680000112.5V331 N332 L333 R339V331-S335 WeakPolarHBondContact O-CB 3.28Å; V331-S335 PolarHBondContact O-N 3.45Å; V331-S335 PolarHBondContact O-OG 3.32Å; V331-S335 VanDerWaalsContact O-OG 3.12Å; N332-S335 PolarHBondContact O-OG 2.98Å; L333-S335 VanDerWaalsContact C-N 3.34Å; L333-S335 PolarHBondContact O-N 2.98Å; S335-R339 WeakPolarHBondContact O-CG 3.37Å; S335-R339 PolarHBondContact O-N 3.44Å
336T94.2Very high87.1Confident15 Ų1557.3 Ų57.39%0.09229%0.287CS..Hα-helixtrans-67.5-46177.7-54.90000111.1N332 L333 L334 R338 R339 L480 E483 M484N332-T336 WeakPolarHBondContact O-CB 3.17Å; N332-T336 PolarHBondContact O-N 3Å; N332-T336 PolarHBondContact O-OG1 2.91Å; L333-T336 PolarHBondContact O-N 3.02Å; L333-T336 VanDerWaalsContact O-N 3.11Å; L334-T336 VanDerWaalsContact C-N 3.32Å; L334-T336 PolarHBondContact O-N 3.25Å; T336-R338 PolarHBondContact O-N 3.47Å; T336-R339 WeakPolarHBondContact O-CB 3.41Å; T336-R339 PolarHBondContact O-N 3.41Å; T336-L480 HydrophobicContact CG2-CD1 3.84Å; T336-E483 HydrophobicContact CG2-CB 4.04Å; T336-M484 HydrophobicContact CG2-CG 3.99Å
337I93.4Very high85.3Confident0 Ų055.4 Ų55.40%030%0.295CS..Hα-helixtrans-64.1-43.6176.9-60.7172.1000110.8M293 L296 L297 L300 L333 L334 R339 Y340 I341 L480 M484M293-I337 HydrophobicContact CG-CG2 4.45Å; M293-I337 HydrophobicContact SD-CD1 4.17Å; M293-I337 HydrophobicContact SD-CG1 4.26Å; L296-I337 HydrophobicContact CD2-CD1 4.16Å; L296-I337 HydrophobicContact CG-CD1 4.11Å; L297-I337 HydrophobicContact CB-CG2 3.93Å; L297-I337 HydrophobicContact CD1-CB 4.29Å; L297-I337 HydrophobicContact CD1-CG2 3.91Å; L297-I337 HydrophobicContact CD2-CG2 4.47Å; L297-I337 HydrophobicContact CG-CG2 4.32Å; L300-I337 HydrophobicContact CD1-CD1 3.48Å; L300-I337 VanDerWaalsContact CD1-CD1 3.48Å; L333-I337 WeakPolarHBondContact O-CG1 3.2Å; L333-I337 PolarHBondContact O-N 2.99Å; L334-I337 PolarHBondContact O-N 2.86Å; I337-R339 PolarHBondContact O-N 2.8Å; I337-Y340 PolarHBondContact O-N 2.83Å; I337-I341 HydrophobicContact CG2-CB 4.19Å; I337-I341 HydrophobicContact CG2-CD1 3.83Å; I337-I341 HydrophobicContact CG2-CG1 4.11Å; I337-I341 PolarHBondContact O-N 2.85Å; I337-L480 HydrophobicContact CG1-CD1 4.44Å; I337-L480 HydrophobicContact CG2-CD2 4.41Å; I337-M484 HydrophobicContact CD1-CE 3.47Å; I337-M484 VanDerWaalsContact CD1-CE 3.47Å; I337-M484 HydrophobicContact CD1-SD 4.16Å; I337-M484 HydrophobicContact CG1-CE 3.53Å; I337-M484 HydrophobicContact CG1-SD 3.54Å; I337-M484 VanDerWaalsContact CG1-SD 3.54Å
338R93.1Very high83.5Confident93 Ų9360.7 Ų60.735%0.35131%0.312SS..Hα-helixtrans-59.1-28.6177.7-79.9-178.8170.3164.60.7112.6L297 E301 L334 T336 Y340 D343 R363L297-R338 HydrophobicContact CD1-CG 3.89Å; E301-R338 IonicContact OE1-CZ 2.67Å; E301-R338 IonicContact OE1-NE 3.42Å; E301-R338 IonicContact OE1-NH2 3.15Å; E301-R338 PolarHBondContact OE1-NH2 3.31Å; L334-R338 HydrophobicContact CD1-CG 4.29Å; L334-R338 WeakPolarHBondContact O-CB 3.43Å; L334-R338 WeakPolarHBondContact O-CG 3.46Å; L334-R338 PolarHBondContact O-N 3.12Å; T336-R338 PolarHBondContact O-N 3.47Å; R338-Y340 PolarHBondContact O-N 2.81Å; R338-D343 IonicContact NE-OD1 3.76Å; R338-R363 PolarHBondContact O-NE 3.13Å; R338-R363 PolarHBondContact O-NH1 3.48Å
339R93.5Very high81.9Confident140 Ų14066 Ų6653%0.52832%0.323SS..Hα-helixtrans-61.1-29.9173.5-73170.162.7-143-7.8112.4S335 T336 I337 E483S335-R339 WeakPolarHBondContact O-CG 3.37Å; S335-R339 PolarHBondContact O-N 3.44Å; T336-R339 WeakPolarHBondContact O-CB 3.41Å; T336-R339 PolarHBondContact O-N 3.41Å; I337-R339 PolarHBondContact O-N 2.8Å; R339-E483 IonicContact CZ-OE2 3.58Å; R339-E483 IonicContact NH1-OE2 3.85Å; R339-E483 PolarHBondContact NH1-OE2 2.98Å
340Y93.7Very high80.8Confident19 Ų1966 Ų668%0.07534%0.335CS..Hα-helixtrans-102.5-35.3-176.3-75.9-101.5000114.2I337 R338 I362 R363 L366 L476 L480 E483I337-Y340 PolarHBondContact O-N 2.83Å; R338-Y340 PolarHBondContact O-N 2.81Å; Y340-I362 CarbonylContact O-C 3.5Å; Y340-I362 WeakPolarHBondContact O-CA 3.4Å; Y340-R363 PolarHBondContact O-N 3.27Å; Y340-L366 HydrophobicContact CD1-CD1 4.03Å; Y340-L366 HydrophobicContact CG-CD1 4.38Å; Y340-L476 HydrophobicContact CD1-CB 4.42Å; Y340-L480 HydrophobicContact CD1-CB 4.18Å; Y340-L480 HydrophobicContact CD2-CB 4.23Å; Y340-L480 HydrophobicContact CD2-CD1 3.72Å; Y340-L480 HydrophobicContact CD2-CG 4.43Å; Y340-L480 HydrophobicContact CE1-CB 4.41Å; Y340-L480 HydrophobicContact CE2-CB 4.46Å; Y340-L480 HydrophobicContact CE2-CD1 4.23Å; Y340-L480 HydrophobicContact CG-CB 4.09Å; Y340-L480 HydrophobicContact CG-CD1 4.17Å; Y340-L480 HydrophobicContact CG-CD2 4.38Å; Y340-L480 HydrophobicContact CG-CG 4.44Å; Y340-E483 PolarHBondContact OH-OE1 3.32Å
341I91.2Very high79.9Confident0 Ų069 Ų690%036%0.355CS..BIsolated β-bridgetrans-108.8144.3-172.6-61.7-172.6000111.3M293 L297 I337 T361 I362M293-I341 HydrophobicContact CB-CD1 3.93Å; M293-I341 HydrophobicContact CG-CD1 3.32Å; L297-I341 HydrophobicContact CD2-CB 4.03Å; L297-I341 HydrophobicContact CD2-CG2 3.53Å; I337-I341 HydrophobicContact CG2-CB 4.19Å; I337-I341 HydrophobicContact CG2-CD1 3.83Å; I337-I341 HydrophobicContact CG2-CG1 4.11Å; I337-I341 PolarHBondContact O-N 2.85Å; I341-T361 HydrophobicContact CG2-CG2 3.95Å; I341-I362 HydrophobicContact CG1-CD1 4.2Å
342Q84.5Confident79.3Confident80 Ų8066.3 Ų66.337%0.37434%0.337SS..  trans-90.7141.1177.6-167.8167.1-600111.8D344 S345 T361 R363Q342-D344 VanDerWaalsContact C-N 3.28Å; Q342-D344 PolarHBondContact O-N 2.89Å; Q342-S345 PolarHBondContact O-OG 2.99Å; Q342-T361 PolarHBondContact N-O 3.47Å; Q342-R363 HydrophobicContact CB-CG 4.22Å
343D67.9Low78.6Confident73 Ų7368.9 Ų68.939%0.3935%0.346SS..THydrogen-bonded Turntrans-64.3-25.3-170.2-56.1-54.5000114.2R338 S345 R363R338-D343 IonicContact NE-OD1 3.76Å; D343-S345 VanDerWaalsContact C-N 3.33Å; D343-S345 PolarHBondContact O-N 3.34Å; D343-R363 IonicContact OD2-NH2 3.57Å
344D62.3Low78.1Confident127 Ų12770.1 Ų70.168%0.67936%0.358SS*.THydrogen-bonded Turntrans-90.120.8-168.9-98.6-6.1000115.4Q342Q342-D344 VanDerWaalsContact C-N 3.28Å; Q342-D344 PolarHBondContact O-N 2.89Å
345S58.9Low77.7Confident10 Ų1069.6 Ų69.67%0.0735%0.354CS..  trans-70.1-52.8-168.1-57.90000112.5T294 Q342 D343 E357T294-S345 VanDerWaalsContact CG2-CB 3.41Å; Q342-S345 PolarHBondContact O-OG 2.99Å; D343-S345 VanDerWaalsContact C-N 3.33Å; D343-S345 PolarHBondContact O-N 3.34Å; S345-E357 WeakPolarHBondContact O-CG 3.3Å
346L58Low77.3Confident82 Ų8269.1 Ų69.143%0.42935%0.347SS..SBendtrans-85.3137.6-160.7-75.1156.5000115.3T294 H298 E357T294-L346 HydrophobicContact CG2-CD1 3.8Å; T294-L346 HydrophobicContact CG2-CD2 4.32Å; T294-L346 HydrophobicContact CG2-CG 3.73Å; H298-L346 HydrophobicContact CB-CD1 4.01Å; L346-E357 WeakPolarHBondContact CA-OE1 3.29Å
347G55.9Low76.9Confident65 Ų6570.5 Ų70.567%0.6735%0.353SS*.  trans116.89.615400000117.4R349G347-R349 PolarHBondContact O-N 3.11Å
348R55.7Low76.5Confident159 Ų15971 Ų7160%0.636%0.355SS*.  trans-86.3104.6179.8-64-171-173.6-164.12.7111.6G350 K353R348-G350 PolarHBondContact O-N 2.99Å; R348-K353 HydrophobicContact CB-CB 3.73Å; R348-K353 HydrophobicContact CB-CD 3.87Å; R348-K353 HydrophobicContact CB-CG 4.4Å; R348-K353 WeakPolarHBondContact O-CB 3.3Å
349R59.5Low76.3Confident235 Ų23566.6 Ų66.689%0.88734%0.339SS*.  trans-63.1123.1-178.5-60.6-171.8-167.2-169.94.4112.4G347 K353G347-R349 PolarHBondContact O-N 3.11Å; R349-K353 WeakPolarHBondContact O-CD 3.09Å
350G70.5Confident76.1Confident39 Ų3963.6 Ų63.640%0.40233%0.33SS..SBendtrans133.1148.3170.300000113.2R348 L352 K353 G354R348-G350 PolarHBondContact O-N 2.99Å; G350-L352 VanDerWaalsContact C-N 3.35Å; G350-L352 PolarHBondContact O-N 3.25Å; G350-K353 PolarHBondContact O-N 3.12Å; G350-K353 VanDerWaalsContact O-N 3.17Å; G350-G354 PolarHBondContact O-N 2.98Å
351P75.5Confident76Confident72 Ų7262.8 Ų62.847%0.46833%0.327SS..Hα-helixtrans-63-35.2-172.622.5-32.4000113.9R355 Y403 P405P351-R355 PolarHBondContact O-N 2.85Å; P351-Y403 HydrophobicContact CB-CD1 3.97Å; P351-Y403 HydrophobicContact CB-CE1 4.03Å; P351-Y403 HydrophobicContact CG-CD1 4.22Å; P351-Y403 WeakPolarHBondContact CG-O 3.37Å; P351-P405 HydrophobicContact CB-CG 4.29Å
352L81.5Confident76Confident40 Ų4062.9 Ų62.921%0.20933%0.327CS..Hα-helixtrans-73.5-39176.2-177.662.5000111.8G350 R355 N356 Y403 F409G350-L352 VanDerWaalsContact C-N 3.35Å; G350-L352 PolarHBondContact O-N 3.25Å; L352-R355 WeakPolarHBondContact O-CB 3.38Å; L352-R355 PolarHBondContact O-N 2.84Å; L352-N356 PolarHBondContact O-N 3.06Å; L352-Y403 HydrophobicContact CB-CD1 3.71Å; L352-Y403 HydrophobicContact CB-CE1 4.5Å; L352-Y403 HydrophobicContact CB-CG 3.99Å; L352-Y403 HydrophobicContact CD1-CD1 4.22Å; L352-Y403 HydrophobicContact CD1-CD2 4.21Å; L352-Y403 HydrophobicContact CD1-CG 4Å; L352-F409 HydrophobicContact CD1-CE1 4.04Å; L352-F409 HydrophobicContact CD1-CE2 4.27Å; L352-F409 HydrophobicContact CD1-CZ 3.48Å; L352-F409 VanDerWaalsContact CD1-CZ 3.48Å; L352-F409 HydrophobicContact CD2-CE1 3.76Å; L352-F409 HydrophobicContact CD2-CZ 3.97Å; L352-F409 HydrophobicContact CG-CZ 4.39Å
353K81.2Confident76.4Confident115 Ų11563.1 Ų63.150%0.533%0.325SS..Hα-helixtrans-65.1-42.2179.2-64-167.6-170.6174.80111R348 R349 G350 R355 N356 E357R348-K353 HydrophobicContact CB-CB 3.73Å; R348-K353 HydrophobicContact CB-CD 3.87Å; R348-K353 HydrophobicContact CB-CG 4.4Å; R348-K353 WeakPolarHBondContact O-CB 3.3Å; R349-K353 WeakPolarHBondContact O-CD 3.09Å; G350-K353 PolarHBondContact O-N 3.12Å; G350-K353 VanDerWaalsContact O-N 3.17Å; K353-R355 VanDerWaalsContact C-N 3.3Å; K353-R355 PolarHBondContact O-N 2.97Å; K353-N356 PolarHBondContact O-N 3.5Å; K353-E357 WeakPolarHBondContact O-CB 3.48Å; K353-E357 PolarHBondContact O-N 2.96Å
354G81.1Confident77.5Confident25 Ų2562.9 Ų62.926%0.25833%0.327SS..Hα-helixtrans-64-33.2172.900000113.2G350 L358G350-G354 PolarHBondContact O-N 2.98Å; G354-L358 WeakPolarHBondContact O-CG 3.44Å; G354-L358 PolarHBondContact O-N 2.95Å
355R85.5Confident78.9Confident15 Ų1563.9 Ų63.96%0.05733%0.332CS..Hα-helixtrans-65.4-46.4172.9-163.4-179.6-174.7136.1-0.9111.5P351 L352 K353 L358 C359 Y403 D463 F466P351-R355 PolarHBondContact O-N 2.85Å; L352-R355 WeakPolarHBondContact O-CB 3.38Å; L352-R355 PolarHBondContact O-N 2.84Å; K353-R355 VanDerWaalsContact C-N 3.3Å; K353-R355 PolarHBondContact O-N 2.97Å; R355-L358 PolarHBondContact O-N 2.79Å; R355-C359 PolarHBondContact O-N 2.67Å; R355-C359 VanDerWaalsContact O-N 3.16Å; R355-C359 PolarHBondContact O-SG 2.99Å; R355-Y403 WeakPolarHBondContact CD-OH 3.43Å; R355-Y403 PolarHBondContact NH1-OH 2.89Å; R355-D463 IonicContact CZ-OD1 2.86Å; R355-D463 IonicContact NH1-OD1 3.59Å; R355-D463 PolarHBondContact NH1-OD1 3.46Å; R355-D463 IonicContact NH2-OD1 3.35Å; R355-D463 PolarHBondContact NH2-OD1 3.4Å; R355-F466 HydrophobicContact CB-CE2 4.32Å; R355-F466 HydrophobicContact CB-CZ 4.49Å; R355-F466 HydrophobicContact CG-CD1 4.45Å; R355-F466 HydrophobicContact CG-CD2 3.59Å; R355-F466 HydrophobicContact CG-CE1 4.07Å; R355-F466 HydrophobicContact CG-CE2 3.18Å; R355-F466 HydrophobicContact CG-CG 4.21Å; R355-F466 HydrophobicContact CG-CZ 3.43Å; R355-F466 VanDerWaalsContact CG-CZ 3.43Å; R355-F466 VanDerWaalsContact CZ-CG 3.5Å
356N86.2Confident80.4Confident48 Ų4866.8 Ų66.826%0.25735%0.347SS..Hα-helixtrans-65.5-40.9178.6-69.8-8.5000111.6L352 K353 L358 C359 F360 Y377L352-N356 PolarHBondContact O-N 3.06Å; K353-N356 PolarHBondContact O-N 3.5Å; N356-L358 VanDerWaalsContact C-N 3.32Å; N356-L358 PolarHBondContact O-N 2.89Å; N356-C359 WeakPolarHBondContact O-CB 3.48Å; N356-C359 PolarHBondContact O-N 2.72Å; N356-C359 VanDerWaalsContact O-N 3.11Å; N356-F360 WeakPolarHBondContact O-CD2 3.37Å; N356-F360 PolarHBondContact O-N 3.43Å; N356-Y377 WeakPolarHBondContact OD1-CE1 3.28Å; N356-Y377 PolarHBondContact OD1-OH 2.92Å
357E85.6Confident82.1Confident44 Ų4465.2 Ų65.221%0.20634%0.339CS..Hα-helixtrans-52.1-51173.6172.3177.316700111.2S345 L346 K353 C359 F360 T361S345-E357 WeakPolarHBondContact O-CG 3.3Å; L346-E357 WeakPolarHBondContact CA-OE1 3.29Å; K353-E357 WeakPolarHBondContact O-CB 3.48Å; K353-E357 PolarHBondContact O-N 2.96Å; E357-C359 VanDerWaalsContact C-N 3.32Å; E357-C359 PolarHBondContact O-N 3.01Å; E357-F360 CarbonylContact O-C 3.54Å; E357-F360 PolarHBondContact O-N 3Å; E357-T361 PolarHBondContact O-N 3.04Å; E357-T361 PolarHBondContact O-OG1 3.02Å
358L86.1Confident83.8Confident10 Ų1064.8 Ų64.85%0.05234%0.335CS..Hα-helixtrans-59.7-39.7176.7-68.6168.7000113E287 I290 K291 G354 R355 N356 F360 T361 F466E287-L358 HydrophobicContact CG-CD1 4.12Å; I290-L358 HydrophobicContact CB-CD2 4.14Å; I290-L358 HydrophobicContact CG2-CD2 3.76Å; K291-L358 HydrophobicContact CG-CD2 3.88Å; G354-L358 WeakPolarHBondContact O-CG 3.44Å; G354-L358 PolarHBondContact O-N 2.95Å; R355-L358 PolarHBondContact O-N 2.79Å; N356-L358 VanDerWaalsContact C-N 3.32Å; N356-L358 PolarHBondContact O-N 2.89Å; L358-F360 VanDerWaalsContact C-N 3.26Å; L358-F360 PolarHBondContact O-N 3.4Å; L358-T361 WeakPolarHBondContact CA-OG1 3.5Å; L358-F466 HydrophobicContact CB-CE2 4.32Å; L358-F466 HydrophobicContact CD1-CZ 4.18Å
359C87.6Confident85.7Confident0 Ų061.8 Ų61.80%033%0.33CS..Hα-helixtrans-60.6-37.3178.8-70.60000112.6R355 N356 E357 R374 F466 I469R355-C359 PolarHBondContact O-N 2.67Å; R355-C359 VanDerWaalsContact O-N 3.16Å; R355-C359 PolarHBondContact O-SG 2.99Å; N356-C359 WeakPolarHBondContact O-CB 3.48Å; N356-C359 PolarHBondContact O-N 2.72Å; N356-C359 VanDerWaalsContact O-N 3.11Å; E357-C359 VanDerWaalsContact C-N 3.32Å; E357-C359 PolarHBondContact O-N 3.01Å; C359-R374 VanDerWaalsContact O-CZ 3.24Å; C359-R374 PolarHBondContact O-NE 3.15Å; C359-R374 PolarHBondContact O-NH2 3.29Å; C359-F466 WeakPolarHBondContact SG-CD2 3.36Å; C359-I469 HydrophobicContact CB-CG2 4.21Å
360F90.1Very high87.4Confident78 Ų7850.6 Ų50.634%0.34229%0.288SS..Hα-helixtrans-110.89.1-170.2-58.3-70.3000113.7N356 E357 L358 I362 R374 Y377 T378N356-F360 WeakPolarHBondContact O-CD2 3.37Å; N356-F360 PolarHBondContact O-N 3.43Å; E357-F360 CarbonylContact O-C 3.54Å; E357-F360 PolarHBondContact O-N 3Å; L358-F360 VanDerWaalsContact C-N 3.26Å; L358-F360 PolarHBondContact O-N 3.4Å; F360-I362 PolarHBondContact O-N 3.37Å; F360-R374 HydrophobicContact CD1-CG 4.41Å; F360-R374 HydrophobicContact CE1-CB 4.01Å; F360-R374 HydrophobicContact CE1-CG 4.09Å; F360-Y377 HydrophobicContact CZ-CD1 4.48Å; F360-T378 WeakPolarHBondContact CZ-OG1 3.45Å
361T90.3Very high88.5Confident2 Ų250.6 Ų50.61%0.01228%0.279CS..SBendtrans-60.7-44.8178.6-56.30000111.9I290 T294 I341 Q342 E357 L358I290-T361 HydrophobicContact CG2-CG2 3.84Å; T294-T361 VanDerWaalsContact OG1-CG2 3.29Å; T294-T361 WeakPolarHBondContact OG1-CG2 3.41Å; I341-T361 HydrophobicContact CG2-CG2 3.95Å; Q342-T361 PolarHBondContact N-O 3.47Å; E357-T361 PolarHBondContact O-N 3.04Å; E357-T361 PolarHBondContact O-OG1 3.02Å; L358-T361 WeakPolarHBondContact CA-OG1 3.5Å
362I92.2Very high89.5Confident2 Ų251.2 Ų51.21%0.0128%0.281CS..BIsolated β-bridgetrans-77.4136.7179.3-59.1-64.5000110.4Y340 I341 F360 L366 L370 R374 L476 I477Y340-I362 CarbonylContact O-C 3.5Å; Y340-I362 WeakPolarHBondContact O-CA 3.4Å; I341-I362 HydrophobicContact CG1-CD1 4.2Å; F360-I362 PolarHBondContact O-N 3.37Å; I362-L366 HydrophobicContact CG2-CD1 3.77Å; I362-L370 HydrophobicContact CB-CD2 4.37Å; I362-L370 HydrophobicContact CG2-CD2 4.16Å; I362-R374 PolarHBondContact O-NH1 2.66Å; I362-R374 PolarHBondContact O-NH2 3.39Å; I362-L476 HydrophobicContact CG2-CD1 3.7Å; I362-I477 HydrophobicContact CD1-CD1 4.47Å; I362-I477 HydrophobicContact CD1-CG1 4.07Å
363R91.8Very high90.1Very high84 Ų8451 Ų5132%0.31728%0.278SS..PPolyproline II helixtrans-58.1145179-81.9-173.2165.1165.3-0.8112.2R338 Y340 Q342 D343 L366R338-R363 PolarHBondContact O-NE 3.13Å; R338-R363 PolarHBondContact O-NH1 3.48Å; Y340-R363 PolarHBondContact O-N 3.27Å; Q342-R363 HydrophobicContact CB-CG 4.22Å; D343-R363 IonicContact OD2-NH2 3.57Å; R363-L366 HydrophobicContact CB-CD1 3.98Å; R363-L366 HydrophobicContact CB-CG 4.49Å
364P91.3Very high90.8Very high69 Ų6946.1 Ų46.145%0.44826%0.257SS..THydrogen-bonded Turntrans-68.6162.4175.729.9-35000111.3L366P364-L366 PolarHBondContact O-N 3.43Å
365N91.4Very high91.4Very high147 Ų14751.4 Ų51.479%0.78627%0.273SS*.THydrogen-bonded Turntrans68.910.2178.4-49-59.7000115.8D371N365-D371 VanDerWaalsContact CA-OD2 3.31Å; N365-D371 WeakPolarHBondContact CA-OD2 3.47Å; N365-D371 PolarHBondContact N-OD2 2.94Å
366L91.4Very high91.9Very high71 Ų7152.3 Ų52.337%0.37228%0.28SS..SBendtrans-83.5-32.8171.8-65.5174.8000112Y340 I362 R363 P364 L476Y340-L366 HydrophobicContact CD1-CD1 4.03Å; Y340-L366 HydrophobicContact CG-CD1 4.38Å; I362-L366 HydrophobicContact CG2-CD1 3.77Å; R363-L366 HydrophobicContact CB-CD1 3.98Å; R363-L366 HydrophobicContact CB-CG 4.49Å; P364-L366 PolarHBondContact O-N 3.43Å; L366-L476 HydrophobicContact CB-CD1 4.17Å
367N93.4Very high92.2Very high49 Ų4950.1 Ų50.126%0.26227%0.268SS..  trans-144.8114.6178.6-175.2-63000109.8L369 L370 D371 L476N367-L369 PolarHBondContact O-N 3.47Å; N367-L369 WeakPolarHBondContact OD1-CA 3.34Å; N367-L369 WeakPolarHBondContact OD1-CB 3.46Å; N367-L369 PolarHBondContact OD1-N 3.35Å; N367-L370 HydrophobicContact CB-CB 3.88Å; N367-L370 WeakPolarHBondContact O-CB 3.44Å; N367-L370 PolarHBondContact O-N 3.07Å; N367-L370 VanDerWaalsContact O-N 3.16Å; N367-L370 PolarHBondContact OD1-N 2.8Å; N367-D371 PolarHBondContact O-N 2.8Å; N367-D371 VanDerWaalsContact O-N 3.15Å; N367-L476 HydrophobicContact CB-CD1 3.98Å; N367-L476 HydrophobicContact CB-CD2 4.38Å
368G92.4Very high92.6Very high57 Ų5751 Ų5159%0.58828%0.277SS*.Hα-helixtrans-61.3-31.7-176.300000113.7V372G368-V372 WeakPolarHBondContact O-CG2 3.12Å; G368-V372 PolarHBondContact O-N 2.87Å; G368-V372 VanDerWaalsContact O-N 3.13Å
369L94.6Very high93Very high95 Ų9554.8 Ų54.850%0.49729%0.294SS..Hα-helixtrans-72.6-39.6177.9-172.266.7000111.5N367 D371 V372 F373 L472N367-L369 PolarHBondContact O-N 3.47Å; N367-L369 WeakPolarHBondContact OD1-CA 3.34Å; N367-L369 WeakPolarHBondContact OD1-CB 3.46Å; N367-L369 PolarHBondContact OD1-N 3.35Å; L369-D371 VanDerWaalsContact C-N 3.29Å; L369-D371 PolarHBondContact O-N 2.86Å; L369-V372 PolarHBondContact O-N 2.94Å; L369-F373 HydrophobicContact CD1-CD2 4.28Å; L369-F373 HydrophobicContact CD1-CE2 3.88Å; L369-F373 HydrophobicContact CD2-CE2 4.01Å; L369-F373 HydrophobicContact CG-CD2 3.9Å; L369-F373 HydrophobicContact CG-CE2 3.64Å; L369-F373 VanDerWaalsContact O-CD2 3.23Å; L369-F373 WeakPolarHBondContact O-CD2 3.46Å; L369-F373 PolarHBondContact O-N 3.08Å; L369-L472 HydrophobicContact CB-CD1 4.42Å; L369-L472 HydrophobicContact CD2-CD1 4.09Å; L369-L472 HydrophobicContact CD2-CD2 4.32Å; L369-L472 HydrophobicContact CG-CD1 4.05Å
370L94.7Very high93.1Very high1 Ų157.2 Ų57.21%0.00530%0.304CS..Hα-helixtrans-57.8-43.8173.7176.661.6000111I362 N367 F373 R374 I469 L472 L476I362-L370 HydrophobicContact CB-CD2 4.37Å; I362-L370 HydrophobicContact CG2-CD2 4.16Å; N367-L370 HydrophobicContact CB-CB 3.88Å; N367-L370 WeakPolarHBondContact O-CB 3.44Å; N367-L370 PolarHBondContact O-N 3.07Å; N367-L370 VanDerWaalsContact O-N 3.16Å; N367-L370 PolarHBondContact OD1-N 2.8Å; L370-F373 PolarHBondContact O-N 3.37Å; L370-R374 HydrophobicContact CD1-CG 4.5Å; L370-R374 WeakPolarHBondContact O-CB 3.46Å; L370-R374 VanDerWaalsContact O-CG 3.29Å; L370-R374 WeakPolarHBondContact O-CG 3.18Å; L370-R374 PolarHBondContact O-N 2.9Å; L370-I469 HydrophobicContact CD1-CB 4.24Å; L370-I469 HydrophobicContact CD1-CG1 4.36Å; L370-I469 HydrophobicContact CD1-CG2 3.86Å; L370-L472 HydrophobicContact CB-CB 4.41Å; L370-L472 HydrophobicContact CB-CD1 4.41Å; L370-L472 HydrophobicContact CD1-CB 4.11Å; L370-L476 HydrophobicContact CD2-CD1 3.7Å
371D94.7Very high93.1Very high38 Ų3854.1 Ų54.120%0.20329%0.291CS..Hα-helixtrans-68-34.7179.4-65.5-32.1000112.4N365 N367 L369 R374 K375N365-D371 VanDerWaalsContact CA-OD2 3.31Å; N365-D371 WeakPolarHBondContact CA-OD2 3.47Å; N365-D371 PolarHBondContact N-OD2 2.94Å; N367-D371 PolarHBondContact O-N 2.8Å; N367-D371 VanDerWaalsContact O-N 3.15Å; L369-D371 VanDerWaalsContact C-N 3.29Å; L369-D371 PolarHBondContact O-N 2.86Å; D371-R374 PolarHBondContact O-N 3.47Å; D371-R374 IonicContact OD1-NH1 2.93Å; D371-R374 PolarHBondContact OD1-NH1 2.87Å; D371-K375 PolarHBondContact O-N 3.43Å
372V95.7Very high93.1Very high86 Ų8656.8 Ų56.852%0.52131%0.31SS..Hα-helixtrans-61.3-50171.1170.40000110.7G368 L369 R374 K375 T376G368-V372 WeakPolarHBondContact O-CG2 3.12Å; G368-V372 PolarHBondContact O-N 2.87Å; G368-V372 VanDerWaalsContact O-N 3.13Å; L369-V372 PolarHBondContact O-N 2.94Å; V372-R374 VanDerWaalsContact C-N 3.31Å; V372-R374 PolarHBondContact O-N 3.12Å; V372-K375 PolarHBondContact O-N 3.22Å; V372-T376 PolarHBondContact O-N 3.13Å; V372-T376 PolarHBondContact O-OG1 2.88Å; V372-T376 VanDerWaalsContact O-OG1 3.07Å
373F95.6Very high93Very high35 Ų3560.6 Ų60.615%0.15433%0.33CS..Hα-helixtrans-62.9-36.7179.2-80.4-67.1000112.8L369 L370 T376 Y377 F464 N465 E468 I469 L472L369-F373 HydrophobicContact CD1-CD2 4.28Å; L369-F373 HydrophobicContact CD1-CE2 3.88Å; L369-F373 HydrophobicContact CD2-CE2 4.01Å; L369-F373 HydrophobicContact CG-CD2 3.9Å; L369-F373 HydrophobicContact CG-CE2 3.64Å; L369-F373 VanDerWaalsContact O-CD2 3.23Å; L369-F373 WeakPolarHBondContact O-CD2 3.46Å; L369-F373 PolarHBondContact O-N 3.08Å; L370-F373 PolarHBondContact O-N 3.37Å; F373-T376 VanDerWaalsContact CA-OG1 3.3Å; F373-T376 WeakPolarHBondContact CA-OG1 3.37Å; F373-T376 PolarHBondContact O-OG1 2.96Å; F373-Y377 VanDerWaalsContact O-CB 3.27Å; F373-Y377 WeakPolarHBondContact O-CB 3.35Å; F373-Y377 PolarHBondContact O-N 3.48Å; F373-F464 HydrophobicContact CE1-CE1 4.17Å; F373-N465 WeakPolarHBondContact CD1-OD1 3.45Å; F373-E468 HydrophobicContact CD1-CB 4.08Å; F373-E468 HydrophobicContact CD2-CB 4.23Å; F373-E468 HydrophobicContact CE1-CB 3.91Å; F373-E468 HydrophobicContact CE1-CG 4.02Å; F373-E468 HydrophobicContact CE2-CB 4.06Å; F373-E468 HydrophobicContact CG-CB 4.25Å; F373-E468 HydrophobicContact CZ-CB 3.9Å; F373-E468 HydrophobicContact CZ-CG 3.96Å; F373-I469 HydrophobicContact CB-CD1 4.33Å; F373-I469 HydrophobicContact CB-CG1 3.67Å; F373-L472 HydrophobicContact CD2-CD1 3.55Å; F373-L472 HydrophobicContact CE2-CD1 3.84Å
374R94.5Very high92.8Very high12 Ų1256.8 Ų56.85%0.04532%0.317CS..Hα-helixtrans-62.1-45.1174-78.4167.3169.6-179.4-11.7111.9C359 F360 I362 L370 D371 V372 Y377 T378 I469C359-R374 VanDerWaalsContact O-CZ 3.24Å; C359-R374 PolarHBondContact O-NE 3.15Å; C359-R374 PolarHBondContact O-NH2 3.29Å; F360-R374 HydrophobicContact CD1-CG 4.41Å; F360-R374 HydrophobicContact CE1-CB 4.01Å; F360-R374 HydrophobicContact CE1-CG 4.09Å; I362-R374 PolarHBondContact O-NH1 2.66Å; I362-R374 PolarHBondContact O-NH2 3.39Å; L370-R374 HydrophobicContact CD1-CG 4.5Å; L370-R374 WeakPolarHBondContact O-CB 3.46Å; L370-R374 VanDerWaalsContact O-CG 3.29Å; L370-R374 WeakPolarHBondContact O-CG 3.18Å; L370-R374 PolarHBondContact O-N 2.9Å; D371-R374 PolarHBondContact O-N 3.47Å; D371-R374 IonicContact OD1-NH1 2.93Å; D371-R374 PolarHBondContact OD1-NH1 2.87Å; V372-R374 VanDerWaalsContact C-N 3.31Å; V372-R374 PolarHBondContact O-N 3.12Å; R374-Y377 WeakPolarHBondContact O-CB 3.34Å; R374-Y377 PolarHBondContact O-N 2.9Å; R374-T378 PolarHBondContact O-N 2.91Å; R374-T378 PolarHBondContact O-OG1 3.48Å; R374-I469 HydrophobicContact CG-CD1 4.22Å; R374-I469 HydrophobicContact CG-CG1 4.37Å
375K95.3Very high92.6Very high136 Ų13658.1 Ų58.159%0.59132%0.317SS*.Hα-helixtrans-61.4-48.8177.7-174.6178.5176-176.70111.2D371 V372 Y377 T378 E379D371-K375 PolarHBondContact O-N 3.43Å; V372-K375 PolarHBondContact O-N 3.22Å; K375-Y377 VanDerWaalsContact C-N 3.32Å; K375-Y377 PolarHBondContact O-N 3.42Å; K375-T378 PolarHBondContact O-N 2.98Å; K375-E379 WeakPolarHBondContact CE-OE1 3.49Å; K375-E379 WeakPolarHBondContact O-CG 3.34Å; K375-E379 PolarHBondContact O-N 3.38Å
376T94.4Very high92.5Very high35 Ų3554 Ų5422%0.21530%0.303CS..Hα-helixtrans-64.1-35.9176.942.20000112.5V372 F373 E379 Y380 N465V372-T376 PolarHBondContact O-N 3.13Å; V372-T376 PolarHBondContact O-OG1 2.88Å; V372-T376 VanDerWaalsContact O-OG1 3.07Å; F373-T376 VanDerWaalsContact CA-OG1 3.3Å; F373-T376 WeakPolarHBondContact CA-OG1 3.37Å; F373-T376 PolarHBondContact O-OG1 2.96Å; T376-E379 PolarHBondContact O-N 3.2Å; T376-Y380 WeakPolarHBondContact O-CD2 3.05Å; T376-Y380 PolarHBondContact O-N 2.76Å; T376-N465 WeakPolarHBondContact CB-OD1 3.43Å; T376-N465 PolarHBondContact OG1-OD1 2.77Å
377Y94Very high92.2Very high1 Ų154.3 Ų54.30%0.00430%0.3CS..Hα-helixtrans-60.8-48.4172.7174.7-91.9000111.7N356 F360 F373 R374 K375 E379 Y380 V381 I462 F466 I469N356-Y377 WeakPolarHBondContact OD1-CE1 3.28Å; N356-Y377 PolarHBondContact OD1-OH 2.92Å; F360-Y377 HydrophobicContact CZ-CD1 4.48Å; F373-Y377 VanDerWaalsContact O-CB 3.27Å; F373-Y377 WeakPolarHBondContact O-CB 3.35Å; F373-Y377 PolarHBondContact O-N 3.48Å; R374-Y377 WeakPolarHBondContact O-CB 3.34Å; R374-Y377 PolarHBondContact O-N 2.9Å; K375-Y377 VanDerWaalsContact C-N 3.32Å; K375-Y377 PolarHBondContact O-N 3.42Å; Y377-E379 PolarHBondContact O-N 3.28Å; Y377-Y380 PolarHBondContact O-N 3.42Å; Y377-V381 HydrophobicContact CD1-CG2 4.32Å; Y377-V381 HydrophobicContact CE1-CG2 3.91Å; Y377-V381 HydrophobicContact CE2-CG2 4.32Å; Y377-V381 WeakPolarHBondContact O-CG2 3.13Å; Y377-V381 PolarHBondContact O-N 3.23Å; Y377-I462 HydrophobicContact CD2-CG2 4.09Å; Y377-I462 HydrophobicContact CE2-CG2 3.63Å; Y377-F466 HydrophobicContact CD2-CB 4.49Å; Y377-F466 HydrophobicContact CE2-CB 4.3Å; Y377-I469 HydrophobicContact CD2-CD1 4.43Å; Y377-I469 HydrophobicContact CG-CD1 4.08Å
378T93Very high91.8Very high63 Ų6353.6 Ų53.639%0.38730%0.295SS..Hα-helixtrans-61.9-43.8177.5-59.20000111.6F360 R374 K375 Y380 V381 S382F360-T378 WeakPolarHBondContact CZ-OG1 3.45Å; R374-T378 PolarHBondContact O-N 2.91Å; R374-T378 PolarHBondContact O-OG1 3.48Å; K375-T378 PolarHBondContact O-N 2.98Å; T378-Y380 PolarHBondContact O-N 2.96Å; T378-V381 PolarHBondContact O-N 2.94Å; T378-S382 PolarHBondContact O-N 3.48Å; T378-S382 PolarHBondContact O-OG 2.96Å
379E93.8Very high91.6Very high89 Ų8956.2 Ų56.242%0.41630%0.295SS..Hα-helixtrans-57.7-47.7176-73.5170.9-17800111.3K375 T376 Y377 V381 S382 D383K375-E379 WeakPolarHBondContact CE-OE1 3.49Å; K375-E379 WeakPolarHBondContact O-CG 3.34Å; K375-E379 PolarHBondContact O-N 3.38Å; T376-E379 PolarHBondContact O-N 3.2Å; Y377-E379 PolarHBondContact O-N 3.28Å; E379-V381 PolarHBondContact O-N 3.48Å; E379-S382 PolarHBondContact O-N 3.38Å; E379-D383 VanDerWaalsContact O-CG 3.29Å; E379-D383 PolarHBondContact O-N 3.3Å
380Y91.6Very high91.3Very high51 Ų5157.1 Ų57.120%0.229%0.292CS..Hα-helixtrans-65.8-35.3177.7-67-38.7000113.9T376 Y377 T378 D383 V384 L458 R461 I462 N465T376-Y380 WeakPolarHBondContact O-CD2 3.05Å; T376-Y380 PolarHBondContact O-N 2.76Å; Y377-Y380 PolarHBondContact O-N 3.42Å; T378-Y380 PolarHBondContact O-N 2.96Å; Y380-D383 PolarHBondContact O-N 2.62Å; Y380-V384 WeakPolarHBondContact O-CG2 3.41Å; Y380-V384 PolarHBondContact O-N 3.12Å; Y380-V384 VanDerWaalsContact O-N 3.09Å; Y380-L458 HydrophobicContact CD1-CD2 3.8Å; Y380-L458 HydrophobicContact CE1-CD2 4.41Å; Y380-L458 HydrophobicContact CG-CD2 4.43Å; Y380-R461 HydrophobicContact CD2-CB 4.08Å; Y380-R461 HydrophobicContact CE2-CB 3.84Å; Y380-I462 HydrophobicContact CG-CG1 4.4Å; Y380-N465 WeakPolarHBondContact CE2-ND2 3.46Å
381V89.5Confident90.7Very high13 Ų1357.7 Ų57.78%0.07929%0.294CS..Hα-helixtrans-65.1-43.6174.2172.80000110.1Y377 T378 E379 D383 V384 E385 F409 I462Y377-V381 HydrophobicContact CD1-CG2 4.32Å; Y377-V381 HydrophobicContact CE1-CG2 3.91Å; Y377-V381 HydrophobicContact CE2-CG2 4.32Å; Y377-V381 WeakPolarHBondContact O-CG2 3.13Å; Y377-V381 PolarHBondContact O-N 3.23Å; T378-V381 PolarHBondContact O-N 2.94Å; E379-V381 PolarHBondContact O-N 3.48Å; V381-D383 PolarHBondContact O-N 2.72Å; V381-V384 PolarHBondContact O-N 3.38Å; V381-E385 PolarHBondContact O-N 3.49Å; V381-E385 VanDerWaalsContact O-N 3.08Å; V381-F409 HydrophobicContact CG1-CZ 4.43Å; V381-F409 HydrophobicContact CG2-CZ 4.46Å; V381-I462 HydrophobicContact CG2-CD1 4.47Å
382S90.7Very high90.2Very high58 Ų5857.8 Ų57.841%0.40630%0.296SS..Hα-helixtrans-63.6-37.6174.7-65.40000112.7T378 E379 V384 E385 A386T378-S382 PolarHBondContact O-N 3.48Å; T378-S382 PolarHBondContact O-OG 2.96Å; E379-S382 PolarHBondContact O-N 3.38Å; S382-V384 VanDerWaalsContact C-N 3.31Å; S382-V384 PolarHBondContact O-N 2.79Å; S382-E385 PolarHBondContact O-N 2.92Å; S382-A386 WeakPolarHBondContact O-CB 3.29Å; S382-A386 PolarHBondContact O-N 3.09Å
383D89.9Confident89.8Confident82 Ų8260.9 Ų60.944%0.43931%0.305SS..Hα-helixtrans-62.2-38.6174.6-73.2-19.1000111.7E379 Y380 V381 Y387 L458E379-D383 VanDerWaalsContact O-CG 3.29Å; E379-D383 PolarHBondContact O-N 3.3Å; Y380-D383 PolarHBondContact O-N 2.62Å; V381-D383 PolarHBondContact O-N 2.72Å; D383-Y387 VanDerWaalsContact O-CB 3.23Å; D383-Y387 WeakPolarHBondContact O-CB 3.43Å; D383-Y387 PolarHBondContact O-N 2.84Å; D383-L458 HydrophobicContact CB-CD1 4.48Å
384V86.4Confident89.1Confident5 Ų564.6 Ų64.63%0.0332%0.322CS..Hα-helixtrans-66.3-40.8175.4171.30000111.1Y380 V381 S382 H388 L401 F409 L458 I462Y380-V384 WeakPolarHBondContact O-CG2 3.41Å; Y380-V384 PolarHBondContact O-N 3.12Å; Y380-V384 VanDerWaalsContact O-N 3.09Å; V381-V384 PolarHBondContact O-N 3.38Å; S382-V384 VanDerWaalsContact C-N 3.31Å; S382-V384 PolarHBondContact O-N 2.79Å; V384-H388 WeakPolarHBondContact O-CB 3.44Å; V384-H388 PolarHBondContact O-N 3.3Å; V384-L401 HydrophobicContact CG1-CD1 3.99Å; V384-L401 HydrophobicContact CG1-CD2 3.97Å; V384-F409 HydrophobicContact CG1-CB 4.15Å; V384-F409 HydrophobicContact CG1-CD1 4.07Å; V384-F409 HydrophobicContact CG1-CD2 4.46Å; V384-F409 HydrophobicContact CG1-CG 3.99Å; V384-L458 HydrophobicContact CG2-CB 4.19Å; V384-L458 HydrophobicContact CG2-CD1 4.09Å; V384-I462 HydrophobicContact CG2-CD1 3.8Å
385E87.9Confident88.3Confident97 Ų9764.7 Ų64.745%0.45332%0.324SS..Hα-helixtrans-67-42.5176.2-70.1176.7171.100112.1V381 S382 H388 L389 L401V381-E385 PolarHBondContact O-N 3.49Å; V381-E385 VanDerWaalsContact O-N 3.08Å; S382-E385 PolarHBondContact O-N 2.92Å; E385-H388 WeakPolarHBondContact O-CB 3.35Å; E385-H388 PolarHBondContact O-N 3.14Å; E385-L389 PolarHBondContact O-N 2.88Å; E385-L389 VanDerWaalsContact O-N 3.13Å; E385-L401 HydrophobicContact CG-CD2 4.25Å
386A89.4Confident87.7Confident60 Ų6062.4 Ų62.450%0.49633%0.331SS..Hα-helixtrans-64.2-42.8175.400000111.6S382 H388 L389 W390S382-A386 WeakPolarHBondContact O-CB 3.29Å; S382-A386 PolarHBondContact O-N 3.09Å; A386-H388 VanDerWaalsContact C-N 3.31Å; A386-H388 PolarHBondContact O-N 3.21Å; A386-L389 PolarHBondContact O-N 2.93Å; A386-W390 PolarHBondContact O-N 3.38Å
387Y84.7Confident86.8Confident77 Ų7762.3 Ų62.330%0.30233%0.329SS..Hα-helixtrans-63.3-38.6174.8-175.5-87.1000111.8D383 W390 F391 F411 F454D383-Y387 VanDerWaalsContact O-CB 3.23Å; D383-Y387 WeakPolarHBondContact O-CB 3.43Å; D383-Y387 PolarHBondContact O-N 2.84Å; Y387-W390 AromaticContact CD2-CE3 3.97Å; Y387-W390 HydrophobicContact CD2-CE3 3.97Å; Y387-W390 HydrophobicContact CD2-CZ3 4.27Å; Y387-W390 AromaticContact CE2-CE3 3.66Å; Y387-W390 HydrophobicContact CE2-CE3 3.66Å; Y387-W390 AromaticContact CE2-CZ3 3.49Å; Y387-W390 HydrophobicContact CE2-CZ3 3.49Å; Y387-W390 VanDerWaalsContact CE2-CZ3 3.49Å; Y387-W390 AromaticContact CZ-CE3 4Å; Y387-W390 AromaticContact CZ-CZ3 3.68Å; Y387-W390 PolarHBondContact O-N 3.28Å; Y387-F391 HydrophobicContact CD1-CB 4.33Å; Y387-F391 HydrophobicContact CE1-CB 3.97Å; Y387-F391 HydrophobicContact CE1-CD2 4.3Å; Y387-F391 HydrophobicContact CE1-CG 4.15Å; Y387-F391 VanDerWaalsContact O-CB 3.24Å; Y387-F391 WeakPolarHBondContact O-CB 3.43Å; Y387-F391 PolarHBondContact O-N 3.36Å; Y387-F411 HydrophobicContact CD1-CZ 4.17Å; Y387-F411 HydrophobicContact CE1-CE2 4.34Å; Y387-F411 HydrophobicContact CE1-CZ 4.37Å; Y387-F454 HydrophobicContact CD1-CD2 4.47Å; Y387-F454 AromaticContact CD1-CE2 3.59Å; Y387-F454 HydrophobicContact CD1-CE2 3.59Å; Y387-F454 AromaticContact CD1-CZ 3.88Å; Y387-F454 HydrophobicContact CD1-CZ 3.88Å; Y387-F454 HydrophobicContact CE1-CD2 4.07Å; Y387-F454 AromaticContact CE1-CE2 3.18Å; Y387-F454 HydrophobicContact CE1-CE2 3.18Å; Y387-F454 AromaticContact CE1-CZ 3.85Å; Y387-F454 HydrophobicContact CE1-CZ 3.85Å; Y387-F454 HydrophobicContact CE2-CE2 4.39Å; Y387-F454 HydrophobicContact CE2-CZ 4.46Å; Y387-F454 HydrophobicContact CG-CE2 4.37Å; Y387-F454 HydrophobicContact CG-CZ 4.26Å; Y387-F454 AromaticContact CZ-CE2 3.61Å
388H85.2Confident86.2Confident34 Ų3467.2 Ų67.216%0.15736%0.361CS..Hα-helixtrans-57.6-49175.516849.6000111.6V384 E385 A386 F391 V392 L399 L401 F411V384-H388 WeakPolarHBondContact O-CB 3.44Å; V384-H388 PolarHBondContact O-N 3.3Å; E385-H388 WeakPolarHBondContact O-CB 3.35Å; E385-H388 PolarHBondContact O-N 3.14Å; A386-H388 VanDerWaalsContact C-N 3.31Å; A386-H388 PolarHBondContact O-N 3.21Å; H388-F391 PolarHBondContact O-N 3.29Å; H388-V392 WeakPolarHBondContact CE1-CG2 3.29Å; H388-V392 WeakPolarHBondContact O-CG2 3.38Å; H388-V392 PolarHBondContact O-N 3.22Å; H388-L399 PolarHBondContact CE1-O 3.37Å; H388-L401 HydrophobicContact CB-CB 4.45Å; H388-L401 HydrophobicContact CB-CD2 4.24Å; H388-F411 HydrophobicContact CB-CE1 3.81Å; H388-F411 HydrophobicContact CB-CZ 4.3Å; H388-F411 AromaticContact CG-CE1 3.84Å; H388-F411 AromaticContact ND1-CD1 3.78Å; H388-F411 AromaticContact ND1-CE1 3.29Å; H388-F411 VanDerWaalsContact ND1-CE1 3.29Å; H388-F411 WeakPolarHBondContact ND1-CE1 3.48Å
389L89.1Confident85.6Confident113 Ų11364.6 Ų64.659%0.59235%0.345SS*.Hα-helixtrans-61.2-48.7178.2-68.4172.5000111.5E385 A386 F391 V392 E393E385-L389 PolarHBondContact O-N 2.88Å; E385-L389 VanDerWaalsContact O-N 3.13Å; A386-L389 PolarHBondContact O-N 2.93Å; L389-F391 VanDerWaalsContact C-N 3.3Å; L389-F391 PolarHBondContact O-N 3.01Å; L389-V392 PolarHBondContact O-N 2.8Å; L389-E393 PolarHBondContact O-N 3.01Å; L389-E393 VanDerWaalsContact O-N 3.08Å
390W87.6Confident85.2Confident114 Ų11468.9 Ų68.943%0.43236%0.357SS..Hα-helixtrans-57.3-43175.9173.380.9000112A386 Y387 E393 Q394A386-W390 PolarHBondContact O-N 3.38Å; Y387-W390 AromaticContact CD2-CE3 3.97Å; Y387-W390 HydrophobicContact CD2-CE3 3.97Å; Y387-W390 HydrophobicContact CD2-CZ3 4.27Å; Y387-W390 AromaticContact CE2-CE3 3.66Å; Y387-W390 HydrophobicContact CE2-CE3 3.66Å; Y387-W390 AromaticContact CE2-CZ3 3.49Å; Y387-W390 HydrophobicContact CE2-CZ3 3.49Å; Y387-W390 VanDerWaalsContact CE2-CZ3 3.49Å; Y387-W390 AromaticContact CZ-CE3 4Å; Y387-W390 AromaticContact CZ-CZ3 3.68Å; Y387-W390 PolarHBondContact O-N 3.28Å; W390-E393 PolarHBondContact O-N 2.85Å; W390-Q394 HydrophobicContact CD2-CG 4.11Å; W390-Q394 HydrophobicContact CH2-CG 4.38Å; W390-Q394 HydrophobicContact CZ2-CG 3.84Å; W390-Q394 VanDerWaalsContact O-CG 3.27Å; W390-Q394 WeakPolarHBondContact O-CG 3.47Å; W390-Q394 PolarHBondContact O-N 2.86Å
391F81.5Confident84.9Confident13 Ų1368.6 Ų68.66%0.05736%0.359CS..Hα-helixtrans-70.6-37.3-177.9-167.1-114.5000112.4Y387 H388 L389 E393 Q394 V395 L399 F411 L425 K428Y387-F391 HydrophobicContact CD1-CB 4.33Å; Y387-F391 HydrophobicContact CE1-CB 3.97Å; Y387-F391 HydrophobicContact CE1-CD2 4.3Å; Y387-F391 HydrophobicContact CE1-CG 4.15Å; Y387-F391 VanDerWaalsContact O-CB 3.24Å; Y387-F391 WeakPolarHBondContact O-CB 3.43Å; Y387-F391 PolarHBondContact O-N 3.36Å; H388-F391 PolarHBondContact O-N 3.29Å; L389-F391 VanDerWaalsContact C-N 3.3Å; L389-F391 PolarHBondContact O-N 3.01Å; F391-E393 VanDerWaalsContact C-N 3.34Å; F391-Q394 PolarHBondContact O-N 2.84Å; F391-V395 HydrophobicContact CD1-CG2 4.35Å; F391-V395 HydrophobicContact CD2-CG2 4.1Å; F391-V395 HydrophobicContact CE1-CG2 4.03Å; F391-V395 HydrophobicContact CE2-CG2 3.76Å; F391-V395 HydrophobicContact CG-CG2 4.38Å; F391-V395 HydrophobicContact CZ-CG2 3.72Å; F391-V395 VanDerWaalsContact O-CG2 3.31Å; F391-V395 WeakPolarHBondContact O-CG2 3.01Å; F391-V395 PolarHBondContact O-N 2.83Å; F391-V395 VanDerWaalsContact O-N 3.08Å; F391-L399 HydrophobicContact CD1-CD1 3.42Å; F391-L399 VanDerWaalsContact CD1-CD1 3.42Å; F391-L399 HydrophobicContact CE1-CD1 3.47Å; F391-L399 VanDerWaalsContact CE1-CD1 3.47Å; F391-F411 HydrophobicContact CD1-CD2 4.38Å; F391-F411 HydrophobicContact CD1-CE2 4.11Å; F391-F411 HydrophobicContact CD1-CZ 4.43Å; F391-F411 HydrophobicContact CE1-CD2 4.49Å; F391-L425 HydrophobicContact CE1-CD2 4.05Å; F391-L425 HydrophobicContact CZ-CD2 4.07Å; F391-K428 HydrophobicContact CE2-CD 3.76Å; F391-K428 HydrophobicContact CZ-CD 4.14Å
392V84.4Confident84.7Confident40 Ų4069.8 Ų69.824%0.24237%0.367CS..Hα-helixtrans-60.8-44172.8166.40000110.9H388 L389 A396 L399H388-V392 WeakPolarHBondContact CE1-CG2 3.29Å; H388-V392 WeakPolarHBondContact O-CG2 3.38Å; H388-V392 PolarHBondContact O-N 3.22Å; L389-V392 PolarHBondContact O-N 2.8Å; V392-A396 WeakPolarHBondContact O-CA 3.45Å; V392-A396 PolarHBondContact O-N 3.18Å; V392-L399 HydrophobicContact CG2-CB 4.01Å
393E87Confident84.4Confident150 Ų15068.1 Ų68.170%0.70135%0.352SS*.Hα-helixtrans-63.5-42.3177-73.6179.9173.100112.6L389 W390 F391L389-E393 PolarHBondContact O-N 3.01Å; L389-E393 VanDerWaalsContact O-N 3.08Å; W390-E393 PolarHBondContact O-N 2.85Å; F391-E393 VanDerWaalsContact C-N 3.34Å
394Q82Confident84.1Confident113 Ų11365.5 Ų65.553%0.52834%0.341SS..Hα-helixtrans-68.1-37.2-178.8-71.5-63.3-50.600113.4W390 F391W390-Q394 HydrophobicContact CD2-CG 4.11Å; W390-Q394 HydrophobicContact CH2-CG 4.38Å; W390-Q394 HydrophobicContact CZ2-CG 3.84Å; W390-Q394 VanDerWaalsContact O-CG 3.27Å; W390-Q394 WeakPolarHBondContact O-CG 3.47Å; W390-Q394 PolarHBondContact O-N 2.86Å; F391-Q394 PolarHBondContact O-N 2.84Å
395V77.5Confident83.9Confident14 Ų1469.9 Ų69.99%0.08537%0.369CS..Hα-helixtrans-93.6-16-176-169.90000111.6F391 L397 L424 L425F391-V395 HydrophobicContact CD1-CG2 4.35Å; F391-V395 HydrophobicContact CD2-CG2 4.1Å; F391-V395 HydrophobicContact CE1-CG2 4.03Å; F391-V395 HydrophobicContact CE2-CG2 3.76Å; F391-V395 HydrophobicContact CG-CG2 4.38Å; F391-V395 HydrophobicContact CZ-CG2 3.72Å; F391-V395 VanDerWaalsContact O-CG2 3.31Å; F391-V395 WeakPolarHBondContact O-CG2 3.01Å; F391-V395 PolarHBondContact O-N 2.83Å; F391-V395 VanDerWaalsContact O-N 3.08Å; V395-L397 HydrophobicContact CG1-CB 4.27Å; V395-L397 HydrophobicContact CG1-CD1 3.48Å; V395-L397 VanDerWaalsContact CG1-CD1 3.48Å; V395-L397 HydrophobicContact CG1-CG 3.91Å; V395-L397 PolarHBondContact O-N 2.69Å; V395-L424 HydrophobicContact CB-CD2 4.24Å; V395-L424 HydrophobicContact CG1-CB 4.48Å; V395-L424 HydrophobicContact CG1-CD2 3.93Å; V395-L424 HydrophobicContact CG2-CD2 4.22Å; V395-L425 HydrophobicContact CG1-CD2 3.95Å; V395-L425 HydrophobicContact CG1-CG 3.99Å
396A81.3Confident83.5Confident88 Ų8870.2 Ų70.273%0.72738%0.382SS*.THydrogen-bonded Turntrans53.938.3-176.200000113.3V392V392-A396 WeakPolarHBondContact O-CA 3.45Å; V392-A396 PolarHBondContact O-N 3.18Å
397L76.8Confident82.8Confident34 Ų3471.4 Ų71.418%0.17837%0.374CS..SBendtrans-124.6146.3178.8-70.4172.7000111.4V395 L399 L413 P422 L425V395-L397 HydrophobicContact CG1-CB 4.27Å; V395-L397 HydrophobicContact CG1-CD1 3.48Å; V395-L397 VanDerWaalsContact CG1-CD1 3.48Å; V395-L397 HydrophobicContact CG1-CG 3.91Å; V395-L397 PolarHBondContact O-N 2.69Å; L397-L399 HydrophobicContact CB-CG 4.33Å; L397-L399 PolarHBondContact O-N 2.84Å; L397-L413 HydrophobicContact CD1-CD2 4.39Å; L397-P422 HydrophobicContact CD1-CB 3.88Å; L397-P422 HydrophobicContact CD1-CG 3.59Å; L397-P422 HydrophobicContact CD2-CG 4.02Å; L397-P422 HydrophobicContact CG-CG 4.44Å; L397-L425 HydrophobicContact CD1-CD1 3.41Å; L397-L425 VanDerWaalsContact CD1-CD1 3.41Å; L397-L425 HydrophobicContact CD1-CG 4.01Å
398P81.7Confident82.7Confident104 Ų10468.4 Ų68.468%0.67537%0.366SS*.  trans-77.561.6179.734.5-36.9000111.8L413P398-L413 HydrophobicContact CG-CD1 4.21Å
399L80.6Confident82.6Confident8 Ų867 Ų674%0.04236%0.359CS..PPolyproline II helixtrans-66.2136.4173-59.6172.2000108.9H388 F391 V392 L397 F411 L413 L425 F452H388-L399 PolarHBondContact CE1-O 3.37Å; F391-L399 HydrophobicContact CD1-CD1 3.42Å; F391-L399 VanDerWaalsContact CD1-CD1 3.42Å; F391-L399 HydrophobicContact CE1-CD1 3.47Å; F391-L399 VanDerWaalsContact CE1-CD1 3.47Å; V392-L399 HydrophobicContact CG2-CB 4.01Å; L397-L399 HydrophobicContact CB-CG 4.33Å; L397-L399 PolarHBondContact O-N 2.84Å; L399-F411 HydrophobicContact CB-CD1 4.49Å; L399-L413 HydrophobicContact CD2-CB 3.89Å; L399-L413 HydrophobicContact CD2-CD1 4.16Å; L399-L413 HydrophobicContact CD2-CD2 4.39Å; L399-L413 HydrophobicContact CD2-CG 4.38Å; L399-L425 HydrophobicContact CD1-CD2 4.47Å; L399-F452 HydrophobicContact CD2-CD2 4.12Å; L399-F452 HydrophobicContact CD2-CE2 3.77Å
400R84.3Confident82.3Confident179 Ų17963.5 Ų63.568%0.67534%0.339SS*.EExtended strand (participates in β ladder)trans-102.6133.6168.1-70.9-175.9-169.3173.64.8110.2F411 S412R400-F411 CarbonylContact O-C 3.57Å; R400-F411 WeakPolarHBondContact O-CA 3.4Å; R400-S412 WeakPolarHBondContact CB-OG 3.07Å; R400-S412 PolarHBondContact N-O 2.87Å; R400-S412 PolarHBondContact O-N 3.06Å; R400-S412 PolarHBondContact O-OG 3.04Å
401L85.1Confident82Confident45 Ų4558.6 Ų58.624%0.23632%0.32CS..EExtended strand (participates in β ladder)trans-77.2126.3167.6-176.466000109.8V384 E385 H388 F409 F411V384-L401 HydrophobicContact CG1-CD1 3.99Å; V384-L401 HydrophobicContact CG1-CD2 3.97Å; E385-L401 HydrophobicContact CG-CD2 4.25Å; H388-L401 HydrophobicContact CB-CB 4.45Å; H388-L401 HydrophobicContact CB-CD2 4.24Å; L401-F409 HydrophobicContact CD1-CB 4.23Å; L401-F409 HydrophobicContact CD1-CD1 4.01Å; L401-F409 HydrophobicContact CD2-CD1 4.23Å; L401-F409 HydrophobicContact CD2-CE1 4.48Å; L401-F409 HydrophobicContact CG-CD1 4.12Å; L401-F411 HydrophobicContact CB-CE1 4.47Å; L401-F411 HydrophobicContact CD1-CD1 4.17Å; L401-F411 HydrophobicContact CD1-CE1 3.81Å; L401-F411 HydrophobicContact CD1-CZ 4.5Å
402S85.3Confident81.9Confident37 Ų3758.7 Ų58.726%0.25932%0.323SS..EExtended strand (participates in β ladder)trans-131.4157.9178.2-71.50000110.6F409 Y410 S412S402-F409 CarbonylContact O-C 3.6Å; S402-F409 WeakPolarHBondContact O-CA 3.44Å; S402-Y410 PolarHBondContact N-O 3.36Å; S402-Y410 PolarHBondContact O-N 2.84Å; S402-Y410 VanDerWaalsContact O-O 3.1Å; S402-S412 PolarHBondContact OG-OG 2.75Å
403Y85.3Confident81.6Confident24 Ų2456.9 Ų56.99%0.09431%0.312CS..EExtended strand (participates in β ladder)trans-130.4139.2179.4170-90.8000111.3P351 L352 R355 P405 F409P351-Y403 HydrophobicContact CB-CD1 3.97Å; P351-Y403 HydrophobicContact CB-CE1 4.03Å; P351-Y403 HydrophobicContact CG-CD1 4.22Å; P351-Y403 WeakPolarHBondContact CG-O 3.37Å; L352-Y403 HydrophobicContact CB-CD1 3.71Å; L352-Y403 HydrophobicContact CB-CE1 4.5Å; L352-Y403 HydrophobicContact CB-CG 3.99Å; L352-Y403 HydrophobicContact CD1-CD1 4.22Å; L352-Y403 HydrophobicContact CD1-CD2 4.21Å; L352-Y403 HydrophobicContact CD1-CG 4Å; R355-Y403 WeakPolarHBondContact CD-OH 3.43Å; R355-Y403 PolarHBondContact NH1-OH 2.89Å; Y403-P405 HydrophobicContact CE1-CG 4.46Å; Y403-F409 HydrophobicContact CD2-CD1 4.35Å; Y403-F409 AromaticContact CD2-CD2 3.98Å; Y403-F409 HydrophobicContact CD2-CD2 3.98Å; Y403-F409 HydrophobicContact CD2-CE1 4.39Å; Y403-F409 AromaticContact CD2-CE2 4Å; Y403-F409 HydrophobicContact CD2-CE2 4Å; Y403-F409 HydrophobicContact CD2-CG 4.17Å; Y403-F409 HydrophobicContact CD2-CZ 4.23Å
404S84.1Confident81.1Confident27 Ų2753 Ų5319%0.18930%0.298CS..EExtended strand (participates in β ladder)trans-139.6140.1172.1171.20000110.8S406 R407 G408S404-S406 PolarHBondContact O-N 2.98Å; S404-S406 VanDerWaalsContact O-N 3.15Å; S404-S406 PolarHBondContact OG-OG 2.63Å; S404-R407 PolarHBondContact O-N 3.38Å; S404-G408 PolarHBondContact N-O 2.85Å; S404-G408 WeakPolarHBondContact O-CA 3.4Å; S404-G408 PolarHBondContact O-N 3.35Å
405P80.6Confident80.5Confident97 Ų9748 Ų4863%0.6328%0.275SS*.THydrogen-bonded Turntrans-56-33.6179.9-24.833.7000114.5P351 Y403P351-P405 HydrophobicContact CB-CG 4.29Å; Y403-P405 HydrophobicContact CE1-CG 4.46Å
406S80.1Confident80Confident104 Ų10452.1 Ų52.173%0.72730%0.297SS*.THydrogen-bonded Turntrans-83.1-17.4-179.557.10000114.3S404S404-S406 PolarHBondContact O-N 2.98Å; S404-S406 VanDerWaalsContact O-N 3.15Å; S404-S406 PolarHBondContact OG-OG 2.63Å
407R75Confident79.1Confident85 Ų8554.5 Ų54.532%0.32129%0.291SS..THydrogen-bonded Turntrans-120.3-16.3-172.3-59.6-178.2-166.5178.40.2113.9S404 Y410 L453S404-R407 PolarHBondContact O-N 3.38Å; R407-Y410 HydrophobicContact CB-CD1 4.27Å; R407-L453 HydrophobicContact CB-CD2 4Å; R407-L453 HydrophobicContact CG-CD2 4.48Å
408G82.2Confident78.1Confident13 Ų1360.6 Ų60.613%0.13432%0.323CS..EExtended strand (participates in β ladder)trans70.6-152.5-165.400000112S404S404-G408 PolarHBondContact N-O 2.85Å; S404-G408 WeakPolarHBondContact O-CA 3.4Å; S404-G408 PolarHBondContact O-N 3.35Å
409F84.3Confident77.3Confident4 Ų460.9 Ų60.92%0.01832%0.316CS..EExtended strand (participates in β ladder)trans-73.8137.3172.2-70.9-87.8000111.3L352 V381 V384 L401 S402 Y403 N459 I462L352-F409 HydrophobicContact CD1-CE1 4.04Å; L352-F409 HydrophobicContact CD1-CE2 4.27Å; L352-F409 HydrophobicContact CD1-CZ 3.48Å; L352-F409 VanDerWaalsContact CD1-CZ 3.48Å; L352-F409 HydrophobicContact CD2-CE1 3.76Å; L352-F409 HydrophobicContact CD2-CZ 3.97Å; L352-F409 HydrophobicContact CG-CZ 4.39Å; V381-F409 HydrophobicContact CG1-CZ 4.43Å; V381-F409 HydrophobicContact CG2-CZ 4.46Å; V384-F409 HydrophobicContact CG1-CB 4.15Å; V384-F409 HydrophobicContact CG1-CD1 4.07Å; V384-F409 HydrophobicContact CG1-CD2 4.46Å; V384-F409 HydrophobicContact CG1-CG 3.99Å; L401-F409 HydrophobicContact CD1-CB 4.23Å; L401-F409 HydrophobicContact CD1-CD1 4.01Å; L401-F409 HydrophobicContact CD2-CD1 4.23Å; L401-F409 HydrophobicContact CD2-CE1 4.48Å; L401-F409 HydrophobicContact CG-CD1 4.12Å; S402-F409 CarbonylContact O-C 3.6Å; S402-F409 WeakPolarHBondContact O-CA 3.44Å; Y403-F409 HydrophobicContact CD2-CD1 4.35Å; Y403-F409 AromaticContact CD2-CD2 3.98Å; Y403-F409 HydrophobicContact CD2-CD2 3.98Å; Y403-F409 HydrophobicContact CD2-CE1 4.39Å; Y403-F409 AromaticContact CD2-CE2 4Å; Y403-F409 HydrophobicContact CD2-CE2 4Å; Y403-F409 HydrophobicContact CD2-CG 4.17Å; Y403-F409 HydrophobicContact CD2-CZ 4.23Å; F409-N459 WeakPolarHBondContact CB-OD1 3.39Å; F409-N459 PolarHBondContact N-OD1 2.98Å; F409-N459 PolarHBondContact O-ND2 2.67Å; F409-I462 HydrophobicContact CD2-CD1 4.06Å; F409-I462 HydrophobicContact CE2-CD1 3.89Å; F409-I462 HydrophobicContact CE2-CG2 4.41Å
410Y82.3Confident76.5Confident41 Ų4169 Ų6916%0.16135%0.353CS..EExtended strand (participates in β ladder)trans-146.1155.6178.663.7-93.8000110.9S402 R407 T451 F452S402-Y410 PolarHBondContact N-O 3.36Å; S402-Y410 PolarHBondContact O-N 2.84Å; S402-Y410 VanDerWaalsContact O-O 3.1Å; R407-Y410 HydrophobicContact CB-CD1 4.27Å; Y410-T451 HydrophobicContact CD2-CG2 3.27Å; Y410-T451 HydrophobicContact CE2-CG2 3.84Å; Y410-T451 HydrophobicContact CG-CG2 3.74Å; Y410-F452 WeakPolarHBondContact CB-O 3.39Å
411F81.3Confident75.6Confident11 Ų1162.2 Ų62.25%0.04833%0.33CS..EExtended strand (participates in β ladder)trans-91.1140.9172-62.8-62.5000110.3Y387 H388 F391 L399 R400 L401 T451 F452 F454Y387-F411 HydrophobicContact CD1-CZ 4.17Å; Y387-F411 HydrophobicContact CE1-CE2 4.34Å; Y387-F411 HydrophobicContact CE1-CZ 4.37Å; H388-F411 HydrophobicContact CB-CE1 3.81Å; H388-F411 HydrophobicContact CB-CZ 4.3Å; H388-F411 AromaticContact CG-CE1 3.84Å; H388-F411 AromaticContact ND1-CD1 3.78Å; H388-F411 AromaticContact ND1-CE1 3.29Å; H388-F411 VanDerWaalsContact ND1-CE1 3.29Å; H388-F411 WeakPolarHBondContact ND1-CE1 3.48Å; F391-F411 HydrophobicContact CD1-CD2 4.38Å; F391-F411 HydrophobicContact CD1-CE2 4.11Å; F391-F411 HydrophobicContact CD1-CZ 4.43Å; F391-F411 HydrophobicContact CE1-CD2 4.49Å; L399-F411 HydrophobicContact CB-CD1 4.49Å; R400-F411 CarbonylContact O-C 3.57Å; R400-F411 WeakPolarHBondContact O-CA 3.4Å; L401-F411 HydrophobicContact CB-CE1 4.47Å; L401-F411 HydrophobicContact CD1-CD1 4.17Å; L401-F411 HydrophobicContact CD1-CE1 3.81Å; L401-F411 HydrophobicContact CD1-CZ 4.5Å; F411-T451 CarbonylContact O-C 3.59Å; F411-T451 WeakPolarHBondContact O-CA 3.5Å; F411-F452 HydrophobicContact CB-CB 4.28Å; F411-F452 HydrophobicContact CB-CD2 4.05Å; F411-F452 PolarHBondContact N-O 3.42Å; F411-F452 PolarHBondContact O-N 3.28Å; F411-F454 AromaticContact CE2-CD2 3.97Å; F411-F454 HydrophobicContact CE2-CD2 3.97Å
412S78.7Confident74.8Confident15 Ų1561.5 Ų61.511%0.10533%0.328CS..EExtended strand (participates in β ladder)trans-122130.7172.257.30000110.3R400 S402 Y450R400-S412 WeakPolarHBondContact CB-OG 3.07Å; R400-S412 PolarHBondContact N-O 2.87Å; R400-S412 PolarHBondContact O-N 3.06Å; R400-S412 PolarHBondContact O-OG 3.04Å; S402-S412 PolarHBondContact OG-OG 2.75Å; S412-Y450 CarbonylContact C-O 3.55Å; S412-Y450 VanDerWaalsContact CA-O 3.29Å; S412-Y450 WeakPolarHBondContact CA-O 3.35Å
413L78.9Confident73.9Confident2 Ų264.7 Ų64.71%0.0135%0.348CS..EExtended strand (participates in β ladder)trans-118.7132.4172.8-177.464.8000108.7L397 P398 L399 L415 L425 T449 Y450 F452L397-L413 HydrophobicContact CD1-CD2 4.39Å; P398-L413 HydrophobicContact CG-CD1 4.21Å; L399-L413 HydrophobicContact CD2-CB 3.89Å; L399-L413 HydrophobicContact CD2-CD1 4.16Å; L399-L413 HydrophobicContact CD2-CD2 4.39Å; L399-L413 HydrophobicContact CD2-CG 4.38Å; L413-L415 HydrophobicContact CD2-CD1 4.09Å; L413-L415 HydrophobicContact CD2-CD2 3.88Å; L413-L415 HydrophobicContact CD2-CG 3.94Å; L413-L415 HydrophobicContact CG-CD2 4.07Å; L413-L415 HydrophobicContact CG-CG 4.04Å; L413-L425 HydrophobicContact CD2-CD1 4.02Å; L413-T449 CarbonylContact O-C 3.12Å; L413-T449 WeakPolarHBondContact O-CA 3.47Å; L413-Y450 PolarHBondContact N-O 3.07Å; L413-Y450 PolarHBondContact O-N 2.99Å; L413-F452 HydrophobicContact CB-CE2 3.72Å; L413-F452 HydrophobicContact CB-CZ 4.27Å; L413-F452 HydrophobicContact CD2-CE2 4.3Å; L413-F452 HydrophobicContact CD2-CZ 4.31Å
414T75.6Confident72.9Confident68 Ų6868.4 Ų68.442%0.41737%0.369SS..EExtended strand (participates in β ladder)trans-100.3123.2171.6-56.80000107.3S447T414-S447 VanDerWaalsContact CG2-CB 3.5Å
415L69.4Low72Confident9 Ų967.2 Ų67.25%0.04736%0.361CS..EExtended strand (participates in β ladder)trans-118149.1175.6-67.6176.8000109.5L413 E419 L421 T448 Y450L413-L415 HydrophobicContact CD2-CD1 4.09Å; L413-L415 HydrophobicContact CD2-CD2 3.88Å; L413-L415 HydrophobicContact CD2-CG 3.94Å; L413-L415 HydrophobicContact CG-CD2 4.07Å; L413-L415 HydrophobicContact CG-CG 4.04Å; L415-E419 HydrophobicContact CB-CB 4.21Å; L415-E419 HydrophobicContact CD2-CB 4.23Å; L415-E419 WeakPolarHBondContact CD2-OE2 3.21Å; L415-L421 HydrophobicContact CD1-CD1 4.28Å; L415-T448 PolarHBondContact N-O 3.14Å; L415-T448 PolarHBondContact O-N 2.87Å; L415-Y450 HydrophobicContact CB-CD2 4.3Å; L415-Y450 HydrophobicContact CB-CE2 4.13Å; L415-Y450 HydrophobicContact CD1-CD2 3.74Å; L415-Y450 HydrophobicContact CD1-CE2 3.65Å; L415-Y450 HydrophobicContact CG-CD2 4.12Å; L415-Y450 HydrophobicContact CG-CE2 4.25Å
416D67.6Low71Confident100 Ų10066.6 Ų66.654%0.53536%0.355SS..  trans-71.4162.2170-72.7-24.1000110.8D418 E419D416-D418 PolarHBondContact O-N 3.1Å; D416-D418 VanDerWaalsContact O-N 3.09Å; D416-E419 PolarHBondContact O-N 3.03Å; D416-E419 VanDerWaalsContact O-N 3.13Å
417K61.1Low69.8Low138 Ų13869 Ų6960%0.636%0.36SS*.THydrogen-bonded Turntrans-55.9-32.1-171.3-75.9-173.5179.2168.60114.2L446K417-L446 HydrophobicContact CD-CB 4.5Å; K417-L446 VanDerWaalsContact CG-O 3.3Å; K417-L446 WeakPolarHBondContact CG-O 3.24Å
418D57.8Low68.9Low161 Ų16170.5 Ų70.586%0.86137%0.369SS*.THydrogen-bonded Turntrans-99-1-173.3-58.2-36.6000112.8D416D416-D418 PolarHBondContact O-N 3.1Å; D416-D418 VanDerWaalsContact O-N 3.09Å
419E64.6Low67.6Low111 Ų11171.7 Ų71.752%0.51937%0.371SS..  trans-90.6114.2177.5-73.8-170.1151.800111.3L415 D416L415-E419 HydrophobicContact CB-CB 4.21Å; L415-E419 HydrophobicContact CD2-CB 4.23Å; L415-E419 WeakPolarHBondContact CD2-OE2 3.21Å; D416-E419 PolarHBondContact O-N 3.03Å; D416-E419 VanDerWaalsContact O-N 3.13Å
420E62.9Low66.2Low178 Ų17875.9 Ų75.983%0.83239%0.393SS*.PPolyproline II helixtrans-73.3152.7171.3-70.7-167.1161.200111.6P422E420-P422 WeakPolarHBondContact O-CD 3.47Å
421L65.6Low64.7Low36 Ų3679.9 Ų79.919%0.18841%0.411CS..PPolyproline II helixtrans-61126.8-179.9-150.4102.8000110L415 L425 I429 Y450 F452L415-L421 HydrophobicContact CD1-CD1 4.28Å; L421-L425 HydrophobicContact CD2-CB 4.06Å; L421-I429 HydrophobicContact CD2-CD1 3.4Å; L421-Y450 HydrophobicContact CD1-CD1 3.14Å; L421-Y450 HydrophobicContact CD1-CD2 3.85Å; L421-Y450 HydrophobicContact CD1-CE1 3.46Å; L421-Y450 VanDerWaalsContact CD1-CE1 3.46Å; L421-Y450 HydrophobicContact CD1-CE2 4.11Å; L421-Y450 HydrophobicContact CD1-CG 3.35Å; L421-F452 HydrophobicContact CD1-CE1 3.95Å; L421-F452 HydrophobicContact CD1-CZ 3.88Å; L421-F452 HydrophobicContact CD2-CE1 3.92Å; L421-F452 HydrophobicContact CD2-CZ 4.26Å; L421-F452 HydrophobicContact CG-CE1 4.42Å; L421-F452 HydrophobicContact CG-CZ 4.36Å
422P68.3Low63.5Low30 Ų3082.4 Ų82.420%0.19543%0.427CS..PPolyproline II helixtrans-56.5130.9-179.3-31.538.9000111.6L397 E420 L424 L425L397-P422 HydrophobicContact CD1-CB 3.88Å; L397-P422 HydrophobicContact CD1-CG 3.59Å; L397-P422 HydrophobicContact CD2-CG 4.02Å; L397-P422 HydrophobicContact CG-CG 4.44Å; E420-P422 WeakPolarHBondContact O-CD 3.47Å; P422-L424 PolarHBondContact O-N 3.5Å; P422-L425 WeakPolarHBondContact O-CB 3.3Å; P422-L425 PolarHBondContact O-N 2.94Å
423P66Low62.4Low104 Ų10483.6 Ų83.668%0.67543%0.434SS*.Hα-helixtrans-59.7-26.6-174.219.2-30.1000112.9L425 T426P423-L425 PolarHBondContact O-N 2.82Å; P423-T426 WeakPolarHBondContact CA-OG1 2.99Å; P423-T426 WeakPolarHBondContact O-CB 3.34Å; P423-T426 PolarHBondContact O-N 3.47Å; P423-T426 VanDerWaalsContact O-N 3.09Å; P423-T426 PolarHBondContact O-OG1 3.1Å
424L65.1Low61.3Low103 Ų10391.8 Ų91.854%0.53947%0.465SS..Hα-helixtrans-60.2-25.9175.5-141.292.4000113.5V395 P422V395-L424 HydrophobicContact CB-CD2 4.24Å; V395-L424 HydrophobicContact CG1-CB 4.48Å; V395-L424 HydrophobicContact CG1-CD2 3.93Å; V395-L424 HydrophobicContact CG2-CD2 4.22Å; P422-L424 PolarHBondContact O-N 3.5Å
425L64.4Low60.2Low2 Ų295 Ų951%0.0147%0.473CS..Hα-helixtrans-85.9-31.5176.7-72.9170.8000111.2F391 V395 L397 L399 L413 L421 P422 P423 D427 K428 I429 F452F391-L425 HydrophobicContact CE1-CD2 4.05Å; F391-L425 HydrophobicContact CZ-CD2 4.07Å; V395-L425 HydrophobicContact CG1-CD2 3.95Å; V395-L425 HydrophobicContact CG1-CG 3.99Å; L397-L425 HydrophobicContact CD1-CD1 3.41Å; L397-L425 VanDerWaalsContact CD1-CD1 3.41Å; L397-L425 HydrophobicContact CD1-CG 4.01Å; L399-L425 HydrophobicContact CD1-CD2 4.47Å; L413-L425 HydrophobicContact CD2-CD1 4.02Å; L421-L425 HydrophobicContact CD2-CB 4.06Å; P422-L425 WeakPolarHBondContact O-CB 3.3Å; P422-L425 PolarHBondContact O-N 2.94Å; P423-L425 PolarHBondContact O-N 2.82Å; L425-D427 PolarHBondContact O-N 3.36Å; L425-D427 VanDerWaalsContact O-N 3.14Å; L425-K428 PolarHBondContact O-N 2.98Å; L425-I429 VanDerWaalsContact C-CD1 3.48Å; L425-I429 HydrophobicContact CB-CD1 3.77Å; L425-I429 HydrophobicContact CB-CG1 4.41Å; L425-I429 WeakPolarHBondContact O-CD1 3.33Å; L425-I429 WeakPolarHBondContact O-CG1 3.1Å; L425-I429 PolarHBondContact O-N 3.46Å; L425-F452 HydrophobicContact CD1-CE2 4.02Å; L425-F452 HydrophobicContact CD1-CZ 3.78Å
426T60Low59.1Low84 Ų8499.2 Ų99.252%0.51550%0.503SS..Hα-helixtrans-55.5-36.5-174-450000113.2P423 K428P423-T426 WeakPolarHBondContact CA-OG1 2.99Å; P423-T426 WeakPolarHBondContact O-CB 3.34Å; P423-T426 PolarHBondContact O-N 3.47Å; P423-T426 VanDerWaalsContact O-N 3.09Å; P423-T426 PolarHBondContact O-OG1 3.1Å; T426-K428 VanDerWaalsContact C-N 3.35Å; T426-K428 PolarHBondContact O-N 3.26Å
427D54.8Low58Low155 Ų15597.6 Ų97.683%0.82950%0.5SS*.THydrogen-bonded Turntrans-79-13.9179.1-70.7-19.1000114.3L425L425-D427 PolarHBondContact O-N 3.36Å; L425-D427 VanDerWaalsContact O-N 3.14Å
428K55.2Low56.5Low116 Ų11696.5 Ų96.550%0.50451%0.508SS..THydrogen-bonded Turntrans-110.51.6-175.3-68.1-171.9179.2177.60113.9F391 L425 T426F391-K428 HydrophobicContact CE2-CD 3.76Å; F391-K428 HydrophobicContact CZ-CD 4.14Å; L425-K428 PolarHBondContact O-N 2.98Å; T426-K428 VanDerWaalsContact C-N 3.35Å; T426-K428 PolarHBondContact O-N 3.26Å
429I56Low55Low37 Ų3795.9 Ų95.919%0.1950%0.504CS..  trans-97.7128.5-173.6-65.8158.9000112.3L421 L425 V432 F452L421-I429 HydrophobicContact CD2-CD1 3.4Å; L425-I429 VanDerWaalsContact C-CD1 3.48Å; L425-I429 HydrophobicContact CB-CD1 3.77Å; L425-I429 HydrophobicContact CB-CG1 4.41Å; L425-I429 WeakPolarHBondContact O-CD1 3.33Å; L425-I429 WeakPolarHBondContact O-CG1 3.1Å; L425-I429 PolarHBondContact O-N 3.46Å; I429-V432 HydrophobicContact CD1-CG2 4.35Å; I429-V432 HydrophobicContact CG2-CG2 3.62Å; I429-F452 HydrophobicContact CB-CD1 4.28Å; I429-F452 HydrophobicContact CD1-CD1 3.36Å; I429-F452 HydrophobicContact CD1-CE1 3.22Å; I429-F452 HydrophobicContact CD1-CG 4.44Å; I429-F452 HydrophobicContact CD1-CZ 4.24Å; I429-F452 HydrophobicContact CG1-CB 4.45Å; I429-F452 HydrophobicContact CG1-CD1 3.35Å; I429-F452 HydrophobicContact CG1-CE1 3.79Å; I429-F452 HydrophobicContact CG1-CG 4.12Å; I429-F452 HydrophobicContact CG2-CD1 3.88Å
430I55Low53.1Low92 Ų9298.7 Ų98.747%0.47252%0.522SS..SBendtrans-83.5-41.5174.7-56171.7000111.6L453 K455I430-L453 HydrophobicContact CB-CB 4.49Å; I430-L453 WeakPolarHBondContact CD1-O 3.4Å; I430-K455 HydrophobicContact CD1-CB 3.53Å; I430-K455 HydrophobicContact CD1-CD 4.38Å; I430-K455 HydrophobicContact CD1-CG 3.6Å
431K50.8Low51.2Low125 Ų12595.4 Ų95.454%0.54352%0.517SS..  trans-157.8124.8-175.3-169.5169.8178.5175.30109.8V433 L453K431-V433 HydrophobicContact CG-CG2 4.43Å; K431-L453 HydrophobicContact CB-CD1 3.71Å; K431-L453 HydrophobicContact CB-CG 4.38Å; K431-L453 HydrophobicContact CD-CD1 3.82Å; K431-L453 HydrophobicContact CG-CD1 4.21Å
432V55.9Low49.3Very low64 Ų6499 Ų9939%0.38855%0.546SS..EExtended strand (participates in β ladder)trans-93.6128.7170176.90000108.9I429 R434 Y450 T451 F452I429-V432 HydrophobicContact CD1-CG2 4.35Å; I429-V432 HydrophobicContact CG2-CG2 3.62Å; V432-R434 HydrophobicContact CG1-CG 4.38Å; V432-Y450 HydrophobicContact CG1-CD1 3.53Å; V432-Y450 HydrophobicContact CG1-CE1 4.08Å; V432-T451 WeakPolarHBondContact CA-O 3.36Å; V432-F452 HydrophobicContact CG2-CD1 4.47Å; V432-F452 HydrophobicContact CG2-CE1 4.42Å
433V55.1Low47.4Very low40 Ų40103.9 Ų103.924%0.24258%0.575CS.*EExtended strand (participates in β ladder)trans-118.4117.3166.3-176.60000108.2K431 T451K431-V433 HydrophobicContact CG-CG2 4.43Å; V433-T451 PolarHBondContact N-O 3.07Å; V433-T451 PolarHBondContact O-N 2.7Å
434R56.6Low45.6Very low175 Ų175108.3 Ų108.366%0.6659%0.587SS**EExtended strand (participates in β ladder)trans-84.9129.9173.3-72.6179.6173.9145.6-2.1109.5V432 T448 Y450V432-R434 HydrophobicContact CG1-CG 4.38Å; R434-T448 HydrophobicContact CG-CG2 4.24Å; R434-Y450 HydrophobicContact CG-CD1 4.39Å; R434-Y450 HydrophobicContact CG-CE1 4.06Å; R434-Y450 PolarHBondContact NE-OH 3.22Å; R434-Y450 PolarHBondContact NH2-OH 3.13Å
435K51.3Low44.3Very low135 Ų135111.4 Ų111.459%0.58760%0.598SS**EExtended strand (participates in β ladder)trans-117.7123.4163.1-86.1-174.6169.8-173.60107.8T449K435-T449 PolarHBondContact N-O 2.99Å; K435-T449 PolarHBondContact O-N 3.34Å
436S46.3Very low43.3Very low97 Ų97116 Ų11668%0.67862%0.622SS**EExtended strand (participates in β ladder)trans-79.7119.7158.961.80000107C438S436-C438 PolarHBondContact O-N 3.4Å
437S46.1Very low42.6Very low66 Ų66113.4 Ų113.446%0.46261%0.608SS.*PPolyproline II helixtrans-81.4116.9173.664.30000109.2
438C29.3Very low42.4Very low116 Ų116107.7 Ų107.778%0.78458%0.579SS**PPolyproline II helixtrans-73.9133.5172.7-151.50000110.2S436S436-C438 PolarHBondContact O-N 3.4Å
439L26.7Very low42.2Very low147 Ų147103.9 Ų103.977%0.7757%0.565SS**  trans-2.7123.6166-76.4132.6000119.5
440L23Very low42.2Very low170 Ų170103.1 Ų103.189%0.8956%0.56SS**  trans-154.6119.5141.1-100133.6000109.7
441C24.6Very low42Very low109 Ų10999.1 Ų99.174%0.73654%0.54SS*.SBendtrans72.397.2174-69.90000118.7T443C441-T443 PolarHBondContact O-N 3.21Å
442S26Very low42.5Very low113 Ų11393.6 Ų93.679%0.7952%0.516SS*.SBendtrans40.465.6141.964.40000118.2
443T26.8Very low42.3Very low131 Ų13192.6 Ų92.680%0.80451%0.508SS*.  trans-177.4125.1137.829.70000106.1C441 E445C441-T443 PolarHBondContact O-N 3.21Å; T443-E445 PolarHBondContact O-N 3.33Å
444E28.5Very low42.3Very low198 Ų19892.7 Ų92.793%0.92551%0.505SS*.  trans-74.582.9-174.6-69.3-174.3151.200112
445E37.8Very low42.2Very low167 Ų16792 Ų9278%0.7851%0.507SS*.  trans-127.2101.8165.2-75.5-179.7176.500110.4T443 S447T443-E445 PolarHBondContact O-N 3.33Å; E445-S447 PolarHBondContact O-N 3.48Å
446L43.6Very low42.6Very low98 Ų9891.1 Ų91.151%0.51351%0.506SS..  trans-78.994.3177.5-101148.1000108.5K417K417-L446 HydrophobicContact CD-CB 4.5Å; K417-L446 VanDerWaalsContact CG-O 3.3Å; K417-L446 WeakPolarHBondContact CG-O 3.24Å
447S45.8Very low43.9Very low30 Ų3092.7 Ų92.721%0.2150%0.503CS..PPolyproline II helixtrans-86.4144.5174.464.30000112.1T414 E445T414-S447 VanDerWaalsContact CG2-CB 3.5Å; E445-S447 PolarHBondContact O-N 3.48Å
448T50.6Low45.5Very low36 Ų3691 Ų9122%0.22149%0.489CS..EExtended strand (participates in β ladder)trans-101.7120.5177.1-57.90000109.5L415 R434 Y450L415-T448 PolarHBondContact N-O 3.14Å; L415-T448 PolarHBondContact O-N 2.87Å; R434-T448 HydrophobicContact CG-CG2 4.24Å; T448-Y450 HydrophobicContact CG2-CD2 4.27Å; T448-Y450 HydrophobicContact CG2-CE2 3.77Å
449T51Low48.2Very low35 Ų3586.6 Ų86.622%0.21546%0.457CS..EExtended strand (participates in β ladder)trans-92.6119.6175.8-52.90000110.6L413 K435L413-T449 CarbonylContact O-C 3.12Å; L413-T449 WeakPolarHBondContact O-CA 3.47Å; K435-T449 PolarHBondContact N-O 2.99Å; K435-T449 PolarHBondContact O-N 3.34Å
450Y54.9Low51Low22 Ų2284.4 Ų84.49%0.08644%0.443CS..EExtended strand (participates in β ladder)trans-93.6121.5172.4-70.7-89.3000109.9S412 L413 L415 L421 V432 R434 T448S412-Y450 CarbonylContact C-O 3.55Å; S412-Y450 VanDerWaalsContact CA-O 3.29Å; S412-Y450 WeakPolarHBondContact CA-O 3.35Å; L413-Y450 PolarHBondContact N-O 3.07Å; L413-Y450 PolarHBondContact O-N 2.99Å; L415-Y450 HydrophobicContact CB-CD2 4.3Å; L415-Y450 HydrophobicContact CB-CE2 4.13Å; L415-Y450 HydrophobicContact CD1-CD2 3.74Å; L415-Y450 HydrophobicContact CD1-CE2 3.65Å; L415-Y450 HydrophobicContact CG-CD2 4.12Å; L415-Y450 HydrophobicContact CG-CE2 4.25Å; L421-Y450 HydrophobicContact CD1-CD1 3.14Å; L421-Y450 HydrophobicContact CD1-CD2 3.85Å; L421-Y450 HydrophobicContact CD1-CE1 3.46Å; L421-Y450 VanDerWaalsContact CD1-CE1 3.46Å; L421-Y450 HydrophobicContact CD1-CE2 4.11Å; L421-Y450 HydrophobicContact CD1-CG 3.35Å; V432-Y450 HydrophobicContact CG1-CD1 3.53Å; V432-Y450 HydrophobicContact CG1-CE1 4.08Å; R434-Y450 HydrophobicContact CG-CD1 4.39Å; R434-Y450 HydrophobicContact CG-CE1 4.06Å; R434-Y450 PolarHBondContact NE-OH 3.22Å; R434-Y450 PolarHBondContact NH2-OH 3.13Å; T448-Y450 HydrophobicContact CG2-CD2 4.27Å; T448-Y450 HydrophobicContact CG2-CE2 3.77Å
451T52.1Low54.1Low8 Ų881.9 Ų81.95%0.04942%0.421CS..EExtended strand (participates in β ladder)trans-100.4128.1173.1-57.70000110.4Y410 F411 V432 V433Y410-T451 HydrophobicContact CD2-CG2 3.27Å; Y410-T451 HydrophobicContact CE2-CG2 3.84Å; Y410-T451 HydrophobicContact CG-CG2 3.74Å; F411-T451 CarbonylContact O-C 3.59Å; F411-T451 WeakPolarHBondContact O-CA 3.5Å; V432-T451 WeakPolarHBondContact CA-O 3.36Å; V433-T451 PolarHBondContact N-O 3.07Å; V433-T451 PolarHBondContact O-N 2.7Å
452F60.5Low57.2Low9 Ų976.8 Ų76.84%0.03939%0.387CS..EExtended strand (participates in β ladder)trans-111.2121.1175.4-46.3-66000110.1L399 Y410 F411 L413 L421 L425 I429 V432L399-F452 HydrophobicContact CD2-CD2 4.12Å; L399-F452 HydrophobicContact CD2-CE2 3.77Å; Y410-F452 WeakPolarHBondContact CB-O 3.39Å; F411-F452 HydrophobicContact CB-CB 4.28Å; F411-F452 HydrophobicContact CB-CD2 4.05Å; F411-F452 PolarHBondContact N-O 3.42Å; F411-F452 PolarHBondContact O-N 3.28Å; L413-F452 HydrophobicContact CB-CE2 3.72Å; L413-F452 HydrophobicContact CB-CZ 4.27Å; L413-F452 HydrophobicContact CD2-CE2 4.3Å; L413-F452 HydrophobicContact CD2-CZ 4.31Å; L421-F452 HydrophobicContact CD1-CE1 3.95Å; L421-F452 HydrophobicContact CD1-CZ 3.88Å; L421-F452 HydrophobicContact CD2-CE1 3.92Å; L421-F452 HydrophobicContact CD2-CZ 4.26Å; L421-F452 HydrophobicContact CG-CE1 4.42Å; L421-F452 HydrophobicContact CG-CZ 4.36Å; L425-F452 HydrophobicContact CD1-CE2 4.02Å; L425-F452 HydrophobicContact CD1-CZ 3.78Å; I429-F452 HydrophobicContact CB-CD1 4.28Å; I429-F452 HydrophobicContact CD1-CD1 3.36Å; I429-F452 HydrophobicContact CD1-CE1 3.22Å; I429-F452 HydrophobicContact CD1-CG 4.44Å; I429-F452 HydrophobicContact CD1-CZ 4.24Å; I429-F452 HydrophobicContact CG1-CB 4.45Å; I429-F452 HydrophobicContact CG1-CD1 3.35Å; I429-F452 HydrophobicContact CG1-CE1 3.79Å; I429-F452 HydrophobicContact CG1-CG 4.12Å; I429-F452 HydrophobicContact CG2-CD1 3.88Å; V432-F452 HydrophobicContact CG2-CD1 4.47Å; V432-F452 HydrophobicContact CG2-CE1 4.42Å
453L52.3Low60.3Low42 Ų4273.9 Ų73.922%0.2236%0.362CS..EExtended strand (participates in β ladder)trans-80.6129.5175.8-72.7171.7000110.9R407 I430 K431R407-L453 HydrophobicContact CB-CD2 4Å; R407-L453 HydrophobicContact CG-CD2 4.48Å; I430-L453 HydrophobicContact CB-CB 4.49Å; I430-L453 WeakPolarHBondContact CD1-O 3.4Å; K431-L453 HydrophobicContact CB-CD1 3.71Å; K431-L453 HydrophobicContact CB-CG 4.38Å; K431-L453 HydrophobicContact CD-CD1 3.82Å; K431-L453 HydrophobicContact CG-CD1 4.21Å
454F55Low63.4Low43 Ų4373 Ų7319%0.18935%0.348CS..  trans-78.7139.5177.2-169.1-111.4000111.3Y387 F411 M456 L458Y387-F454 HydrophobicContact CD1-CD2 4.47Å; Y387-F454 AromaticContact CD1-CE2 3.59Å; Y387-F454 HydrophobicContact CD1-CE2 3.59Å; Y387-F454 AromaticContact CD1-CZ 3.88Å; Y387-F454 HydrophobicContact CD1-CZ 3.88Å; Y387-F454 HydrophobicContact CE1-CD2 4.07Å; Y387-F454 AromaticContact CE1-CE2 3.18Å; Y387-F454 HydrophobicContact CE1-CE2 3.18Å; Y387-F454 AromaticContact CE1-CZ 3.85Å; Y387-F454 HydrophobicContact CE1-CZ 3.85Å; Y387-F454 HydrophobicContact CE2-CE2 4.39Å; Y387-F454 HydrophobicContact CE2-CZ 4.46Å; Y387-F454 HydrophobicContact CG-CE2 4.37Å; Y387-F454 HydrophobicContact CG-CZ 4.26Å; Y387-F454 AromaticContact CZ-CE2 3.61Å; F411-F454 AromaticContact CE2-CD2 3.97Å; F411-F454 HydrophobicContact CE2-CD2 3.97Å; F454-M456 PolarHBondContact O-N 3.44Å; F454-L458 HydrophobicContact CE1-CB 4.22Å; F454-L458 HydrophobicContact CE1-CD1 4.07Å
455K53.8Low66.4Low161 Ų16164 Ų6470%0.731%0.306SS*.  trans-72.598.4-172.7-149.6170.6-178-177.60112.7I430 Q457I430-K455 HydrophobicContact CD1-CB 3.53Å; I430-K455 HydrophobicContact CD1-CD 4.38Å; I430-K455 HydrophobicContact CD1-CG 3.6Å; K455-Q457 PolarHBondContact O-N 3.25Å
456M59.2Low69Low115 Ų11556.5 Ų56.557%0.56727%0.271SS*.SBendtrans50.7-58150.1-69.117983.300119.6F454 L458 E460F454-M456 PolarHBondContact O-N 3.44Å; M456-L458 PolarHBondContact O-N 3.32Å; M456-E460 WeakPolarHBondContact CB-OE1 3.31Å; M456-E460 WeakPolarHBondContact CE-OE1 3.49Å; M456-E460 WeakPolarHBondContact O-CB 3.02Å; M456-E460 WeakPolarHBondContact O-CG 3.41Å; M456-E460 PolarHBondContact O-N 2.96Å
457Q73.5Confident71.4Confident131 Ų13156 Ų5661%0.61227%0.265SS*.Hα-helixtrans-69.8-45.7-161.1-68-176.9-2.100114.9K455 R461K455-Q457 PolarHBondContact O-N 3.25Å; Q457-R461 WeakPolarHBondContact O-CB 3.49Å; Q457-R461 WeakPolarHBondContact O-CG 3.37Å; Q457-R461 PolarHBondContact O-N 3.47Å
458L81.3Confident73.7Confident31 Ų3157.4 Ų57.416%0.16227%0.268CS..Hα-helixtrans-71-42.4179-76.3173.8000111.7Y380 D383 V384 F454 M456 E460 R461 I462Y380-L458 HydrophobicContact CD1-CD2 3.8Å; Y380-L458 HydrophobicContact CE1-CD2 4.41Å; Y380-L458 HydrophobicContact CG-CD2 4.43Å; D383-L458 HydrophobicContact CB-CD1 4.48Å; V384-L458 HydrophobicContact CG2-CB 4.19Å; V384-L458 HydrophobicContact CG2-CD1 4.09Å; F454-L458 HydrophobicContact CE1-CB 4.22Å; F454-L458 HydrophobicContact CE1-CD1 4.07Å; M456-L458 PolarHBondContact O-N 3.32Å; L458-E460 VanDerWaalsContact C-N 3.33Å; L458-E460 PolarHBondContact O-N 3.43Å; L458-R461 PolarHBondContact O-N 3.33Å; L458-I462 WeakPolarHBondContact O-CB 3.27Å; L458-I462 VanDerWaalsContact O-CG1 3.22Å; L458-I462 WeakPolarHBondContact O-CG1 3.37Å; L458-I462 PolarHBondContact O-N 3.36Å
459N84.8Confident75.8Confident22 Ų2255.7 Ų55.712%0.11826%0.257CS..Hα-helixtrans-60.1-43.6175.5-91.1-30.6000111.4F409 I462 D463F409-N459 WeakPolarHBondContact CB-OD1 3.39Å; F409-N459 PolarHBondContact N-OD1 2.98Å; F409-N459 PolarHBondContact O-ND2 2.67Å; N459-I462 PolarHBondContact O-N 2.9Å; N459-D463 VanDerWaalsContact O-CB 3.31Å; N459-D463 WeakPolarHBondContact O-CB 3.5Å; N459-D463 PolarHBondContact O-N 3.23Å
460E85.1Confident77.9Confident101 Ų10154 Ų5447%0.47225%0.247SC..Hα-helixtrans-63.9-41.6175.8-75.5167.3-176.300112M456 L458 D463 F464M456-E460 WeakPolarHBondContact CB-OE1 3.31Å; M456-E460 WeakPolarHBondContact CE-OE1 3.49Å; M456-E460 WeakPolarHBondContact O-CB 3.02Å; M456-E460 WeakPolarHBondContact O-CG 3.41Å; M456-E460 PolarHBondContact O-N 2.96Å; L458-E460 VanDerWaalsContact C-N 3.33Å; L458-E460 PolarHBondContact O-N 3.43Å; E460-D463 PolarHBondContact O-N 2.97Å; E460-F464 VanDerWaalsContact O-CB 3.3Å; E460-F464 WeakPolarHBondContact O-CB 3.37Å; E460-F464 PolarHBondContact O-N 3.05Å
461R89.1Confident79.7Confident117 Ų11755.1 Ų55.144%0.44225%0.254SS..Hα-helixtrans-66.4-43177-74.8172.9-175-176.22.3112.4Y380 Q457 L458 D463 F464 N465Y380-R461 HydrophobicContact CD2-CB 4.08Å; Y380-R461 HydrophobicContact CE2-CB 3.84Å; Q457-R461 WeakPolarHBondContact O-CB 3.49Å; Q457-R461 WeakPolarHBondContact O-CG 3.37Å; Q457-R461 PolarHBondContact O-N 3.47Å; L458-R461 PolarHBondContact O-N 3.33Å; R461-D463 VanDerWaalsContact C-N 3.28Å; R461-D463 PolarHBondContact O-N 3.39Å; R461-F464 PolarHBondContact O-N 2.89Å; R461-N465 WeakPolarHBondContact O-CB 3.4Å; R461-N465 PolarHBondContact O-N 3.47Å; R461-N465 PolarHBondContact O-ND2 3.15Å
462I89.8Confident81.7Confident2 Ų255.4 Ų55.41%0.0126%0.255CS..Hα-helixtrans-60.9-42.9173.9-70169.2000109.6Y377 Y380 V381 V384 F409 L458 N459 N465 F466Y377-I462 HydrophobicContact CD2-CG2 4.09Å; Y377-I462 HydrophobicContact CE2-CG2 3.63Å; Y380-I462 HydrophobicContact CG-CG1 4.4Å; V381-I462 HydrophobicContact CG2-CD1 4.47Å; V384-I462 HydrophobicContact CG2-CD1 3.8Å; F409-I462 HydrophobicContact CD2-CD1 4.06Å; F409-I462 HydrophobicContact CE2-CD1 3.89Å; F409-I462 HydrophobicContact CE2-CG2 4.41Å; L458-I462 WeakPolarHBondContact O-CB 3.27Å; L458-I462 VanDerWaalsContact O-CG1 3.22Å; L458-I462 WeakPolarHBondContact O-CG1 3.37Å; L458-I462 PolarHBondContact O-N 3.36Å; N459-I462 PolarHBondContact O-N 2.9Å; I462-N465 PolarHBondContact O-N 2.84Å; I462-F466 VanDerWaalsContact O-CB 3.26Å; I462-F466 WeakPolarHBondContact O-CB 3.42Å; I462-F466 PolarHBondContact O-N 2.96Å
463D90.3Very high83.3Confident52 Ų5255 Ų5528%0.27825%0.253SS..Hα-helixtrans-68.1-40.4-179.8-16059.2000113.3R355 N459 E460 R461 K467R355-D463 IonicContact CZ-OD1 2.86Å; R355-D463 IonicContact NH1-OD1 3.59Å; R355-D463 PolarHBondContact NH1-OD1 3.46Å; R355-D463 IonicContact NH2-OD1 3.35Å; R355-D463 PolarHBondContact NH2-OD1 3.4Å; N459-D463 VanDerWaalsContact O-CB 3.31Å; N459-D463 WeakPolarHBondContact O-CB 3.5Å; N459-D463 PolarHBondContact O-N 3.23Å; E460-D463 PolarHBondContact O-N 2.97Å; R461-D463 VanDerWaalsContact C-N 3.28Å; R461-D463 PolarHBondContact O-N 3.39Å; D463-K467 WeakPolarHBondContact O-CG 3.23Å; D463-K467 PolarHBondContact O-N 3.06Å; D463-K467 VanDerWaalsContact O-N 3.08Å; D463-K467 WeakPolarHBondContact OD2-CE 3.45Å; D463-K467 IonicContact OD2-NZ 3.62Å; D463-K467 PolarHBondContact OD2-NZ 3.05Å
464F91.7Very high85.2Confident114 Ų11453.7 Ų53.750%0.525%0.247SC..Hα-helixtrans-60.5-53.3172176.3-97.8000111.7F373 E460 R461 F466 K467 E468F373-F464 HydrophobicContact CE1-CE1 4.17Å; E460-F464 VanDerWaalsContact O-CB 3.3Å; E460-F464 WeakPolarHBondContact O-CB 3.37Å; E460-F464 PolarHBondContact O-N 3.05Å; R461-F464 PolarHBondContact O-N 2.89Å; F464-F466 VanDerWaalsContact C-N 3.29Å; F464-F466 PolarHBondContact O-N 2.66Å; F464-K467 PolarHBondContact O-N 3.01Å; F464-E468 HydrophobicContact CE1-CG 4.05Å; F464-E468 HydrophobicContact CE2-CG 4.21Å; F464-E468 HydrophobicContact CZ-CG 3.88Å; F464-E468 PolarHBondContact O-N 3.13Å
465N92.4Very high87Confident9 Ų957.9 Ų57.95%0.04827%0.265CS..Hα-helixtrans-59-42.9-179.9-83.7-102.1000111.2F373 T376 Y380 R461 I462 K467 E468 I469F373-N465 WeakPolarHBondContact CD1-OD1 3.45Å; T376-N465 WeakPolarHBondContact CB-OD1 3.43Å; T376-N465 PolarHBondContact OG1-OD1 2.77Å; Y380-N465 WeakPolarHBondContact CE2-ND2 3.46Å; R461-N465 WeakPolarHBondContact O-CB 3.4Å; R461-N465 PolarHBondContact O-N 3.47Å; R461-N465 PolarHBondContact O-ND2 3.15Å; I462-N465 PolarHBondContact O-N 2.84Å; N465-K467 PolarHBondContact O-N 3.13Å; N465-E468 PolarHBondContact O-N 2.6Å; N465-I469 WeakPolarHBondContact O-CB 3.24Å; N465-I469 WeakPolarHBondContact O-CG1 3.32Å; N465-I469 PolarHBondContact O-N 3.28Å
466F93.4Very high88.9Confident9 Ų950.4 Ų50.44%0.03923%0.233CC..Hα-helixtrans-60.4-44.2177.5178.7-112.8000113.3E287 R355 L358 C359 Y377 I462 F464 E468 I469 I470E287-F466 WeakPolarHBondContact OE1-CE1 3.42Å; R355-F466 HydrophobicContact CB-CE2 4.32Å; R355-F466 HydrophobicContact CB-CZ 4.49Å; R355-F466 HydrophobicContact CG-CD1 4.45Å; R355-F466 HydrophobicContact CG-CD2 3.59Å; R355-F466 HydrophobicContact CG-CE1 4.07Å; R355-F466 HydrophobicContact CG-CE2 3.18Å; R355-F466 HydrophobicContact CG-CG 4.21Å; R355-F466 HydrophobicContact CG-CZ 3.43Å; R355-F466 VanDerWaalsContact CG-CZ 3.43Å; R355-F466 VanDerWaalsContact CZ-CG 3.5Å; L358-F466 HydrophobicContact CB-CE2 4.32Å; L358-F466 HydrophobicContact CD1-CZ 4.18Å; C359-F466 WeakPolarHBondContact SG-CD2 3.36Å; Y377-F466 HydrophobicContact CD2-CB 4.49Å; Y377-F466 HydrophobicContact CE2-CB 4.3Å; I462-F466 VanDerWaalsContact O-CB 3.26Å; I462-F466 WeakPolarHBondContact O-CB 3.42Å; I462-F466 PolarHBondContact O-N 2.96Å; F464-F466 VanDerWaalsContact C-N 3.29Å; F464-F466 PolarHBondContact O-N 2.66Å; F466-E468 VanDerWaalsContact C-N 3.34Å; F466-E468 PolarHBondContact O-N 3.4Å; F466-I469 PolarHBondContact O-N 3.2Å; F466-I470 HydrophobicContact CD1-CD1 3.57Å; F466-I470 HydrophobicContact CD2-CD1 4.09Å; F466-I470 HydrophobicContact CD2-CG1 4.48Å; F466-I470 HydrophobicContact CE1-CD1 3.11Å; F466-I470 HydrophobicContact CE1-CG1 4.35Å; F466-I470 HydrophobicContact CE2-CD1 3.65Å; F466-I470 HydrophobicContact CE2-CG1 4.11Å; F466-I470 HydrophobicContact CG-CD1 4.06Å; F466-I470 HydrophobicContact CZ-CD1 3.15Å; F466-I470 HydrophobicContact CZ-CG1 4.07Å; F466-I470 WeakPolarHBondContact O-CG1 3.47Å; F466-I470 PolarHBondContact O-N 3.5Å
467K93.3Very high90.4Very high87 Ų8745 Ų4538%0.37821%0.206SC..Hα-helixtrans-61.1-44.6177-76.2165.4174.4158.50111P283 D463 F464 N465 I470 L471P283-K467 HydrophobicContact CB-CG 4.46Å; P283-K467 HydrophobicContact CG-CG 4.45Å; D463-K467 WeakPolarHBondContact O-CG 3.23Å; D463-K467 PolarHBondContact O-N 3.06Å; D463-K467 VanDerWaalsContact O-N 3.08Å; D463-K467 WeakPolarHBondContact OD2-CE 3.45Å; D463-K467 IonicContact OD2-NZ 3.62Å; D463-K467 PolarHBondContact OD2-NZ 3.05Å; F464-K467 PolarHBondContact O-N 3.01Å; N465-K467 PolarHBondContact O-N 3.13Å; K467-I470 PolarHBondContact O-N 3.18Å; K467-L471 WeakPolarHBondContact O-CB 3.11Å; K467-L471 VanDerWaalsContact O-CG 3.28Å; K467-L471 WeakPolarHBondContact O-CG 3.37Å; K467-L471 PolarHBondContact O-N 3.41Å
468E94.4Very high91.3Very high59 Ų5941.2 Ų41.228%0.27619%0.194SC..Hα-helixtrans-63.4-42.3176.2-66.8-55.6128.300112F373 F464 N465 F466 I470 L471 L472F373-E468 HydrophobicContact CD1-CB 4.08Å; F373-E468 HydrophobicContact CD2-CB 4.23Å; F373-E468 HydrophobicContact CE1-CB 3.91Å; F373-E468 HydrophobicContact CE1-CG 4.02Å; F373-E468 HydrophobicContact CE2-CB 4.06Å; F373-E468 HydrophobicContact CG-CB 4.25Å; F373-E468 HydrophobicContact CZ-CB 3.9Å; F373-E468 HydrophobicContact CZ-CG 3.96Å; F464-E468 HydrophobicContact CE1-CG 4.05Å; F464-E468 HydrophobicContact CE2-CG 4.21Å; F464-E468 HydrophobicContact CZ-CG 3.88Å; F464-E468 PolarHBondContact O-N 3.13Å; N465-E468 PolarHBondContact O-N 2.6Å; F466-E468 VanDerWaalsContact C-N 3.34Å; F466-E468 PolarHBondContact O-N 3.4Å; E468-I470 PolarHBondContact O-N 2.92Å; E468-L471 PolarHBondContact O-N 2.93Å; E468-L472 WeakPolarHBondContact O-CB 3.49Å; E468-L472 VanDerWaalsContact O-CG 3.31Å; E468-L472 WeakPolarHBondContact O-CG 3.31Å; E468-L472 PolarHBondContact O-N 3.12Å
469I94.8Very high91.8Very high0 Ų044.4 Ų44.40%021%0.208CC..Hα-helixtrans-57.8-48175.2-71.7165.5000110.7C359 L370 F373 R374 Y377 N465 F466 L472 S473C359-I469 HydrophobicContact CB-CG2 4.21Å; L370-I469 HydrophobicContact CD1-CB 4.24Å; L370-I469 HydrophobicContact CD1-CG1 4.36Å; L370-I469 HydrophobicContact CD1-CG2 3.86Å; F373-I469 HydrophobicContact CB-CD1 4.33Å; F373-I469 HydrophobicContact CB-CG1 3.67Å; R374-I469 HydrophobicContact CG-CD1 4.22Å; R374-I469 HydrophobicContact CG-CG1 4.37Å; Y377-I469 HydrophobicContact CD2-CD1 4.43Å; Y377-I469 HydrophobicContact CG-CD1 4.08Å; N465-I469 WeakPolarHBondContact O-CB 3.24Å; N465-I469 WeakPolarHBondContact O-CG1 3.32Å; N465-I469 PolarHBondContact O-N 3.28Å; F466-I469 PolarHBondContact O-N 3.2Å; I469-L472 PolarHBondContact O-N 3.45Å; I469-S473 VanDerWaalsContact O-CB 3.24Å; I469-S473 WeakPolarHBondContact O-CB 3.47Å; I469-S473 PolarHBondContact O-N 3.44Å; I469-S473 PolarHBondContact O-OG 3.06Å
470I93.6Very high92.2Very high0 Ų043.3 Ų43.30%020%0.202CC..Hα-helixtrans-63.1-47.4179.2-73.2162.8000110.8A286 E287 I290 F466 K467 E468 L472 S473 D474A286-I470 HydrophobicContact CB-CG2 3.29Å; E287-I470 HydrophobicContact CG-CD1 3.45Å; E287-I470 VanDerWaalsContact CG-CD1 3.45Å; E287-I470 HydrophobicContact CG-CG1 4.19Å; E287-I470 HydrophobicContact CG-CG2 4.15Å; I290-I470 HydrophobicContact CD1-CB 4.44Å; I290-I470 HydrophobicContact CD1-CG1 4.4Å; I290-I470 HydrophobicContact CD1-CG2 4.01Å; F466-I470 HydrophobicContact CD1-CD1 3.57Å; F466-I470 HydrophobicContact CD2-CD1 4.09Å; F466-I470 HydrophobicContact CD2-CG1 4.48Å; F466-I470 HydrophobicContact CE1-CD1 3.11Å; F466-I470 HydrophobicContact CE1-CG1 4.35Å; F466-I470 HydrophobicContact CE2-CD1 3.65Å; F466-I470 HydrophobicContact CE2-CG1 4.11Å; F466-I470 HydrophobicContact CG-CD1 4.06Å; F466-I470 HydrophobicContact CZ-CD1 3.15Å; F466-I470 HydrophobicContact CZ-CG1 4.07Å; F466-I470 WeakPolarHBondContact O-CG1 3.47Å; F466-I470 PolarHBondContact O-N 3.5Å; K467-I470 PolarHBondContact O-N 3.18Å; E468-I470 PolarHBondContact O-N 2.92Å; I470-L472 VanDerWaalsContact C-N 3.34Å; I470-L472 PolarHBondContact O-N 3.26Å; I470-S473 PolarHBondContact O-N 2.98Å; I470-D474 WeakPolarHBondContact O-CB 3.28Å; I470-D474 PolarHBondContact O-N 3.29Å
471L93.6Very high92.4Very high46 Ų4639.3 Ų39.324%0.24118%0.184CC..Hα-helixtrans-65.5-36.5-178.5-69.5172.7000112.4A286 K467 E468 D474 K475A286-L471 HydrophobicContact CB-CD2 4.5Å; K467-L471 WeakPolarHBondContact O-CB 3.11Å; K467-L471 VanDerWaalsContact O-CG 3.28Å; K467-L471 WeakPolarHBondContact O-CG 3.37Å; K467-L471 PolarHBondContact O-N 3.41Å; E468-L471 PolarHBondContact O-N 2.93Å; L471-D474 WeakPolarHBondContact O-CB 3.43Å; L471-D474 PolarHBondContact O-N 3.42Å; L471-K475 PolarHBondContact O-N 3.07Å
472L94.1Very high92.4Very high13 Ų1337 Ų377%0.06819%0.186CC..Hα-helixtrans-70.6-41.6173.8-72.7172.6000111.9L369 L370 F373 E468 I469 I470 D474 K475 L476L369-L472 HydrophobicContact CB-CD1 4.42Å; L369-L472 HydrophobicContact CD2-CD1 4.09Å; L369-L472 HydrophobicContact CD2-CD2 4.32Å; L369-L472 HydrophobicContact CG-CD1 4.05Å; L370-L472 HydrophobicContact CB-CB 4.41Å; L370-L472 HydrophobicContact CB-CD1 4.41Å; L370-L472 HydrophobicContact CD1-CB 4.11Å; F373-L472 HydrophobicContact CD2-CD1 3.55Å; F373-L472 HydrophobicContact CE2-CD1 3.84Å; E468-L472 WeakPolarHBondContact O-CB 3.49Å; E468-L472 VanDerWaalsContact O-CG 3.31Å; E468-L472 WeakPolarHBondContact O-CG 3.31Å; E468-L472 PolarHBondContact O-N 3.12Å; I469-L472 PolarHBondContact O-N 3.45Å; I470-L472 VanDerWaalsContact C-N 3.34Å; I470-L472 PolarHBondContact O-N 3.26Å; L472-D474 PolarHBondContact O-N 2.77Å; L472-K475 HydrophobicContact CD2-CD 4.43Å; L472-K475 WeakPolarHBondContact O-CB 3.43Å; L472-K475 PolarHBondContact O-N 2.79Å; L472-L476 PolarHBondContact O-N 3.34Å
473S93.8Very high92.5Very high0 Ų039.5 Ų39.50%020%0.198CC..Hα-helixtrans-59.8-37.4173.7-60.70000110.8I469 I470 L476 I477I469-S473 VanDerWaalsContact O-CB 3.24Å; I469-S473 WeakPolarHBondContact O-CB 3.47Å; I469-S473 PolarHBondContact O-N 3.44Å; I469-S473 PolarHBondContact O-OG 3.06Å; I470-S473 PolarHBondContact O-N 2.98Å; S473-L476 WeakPolarHBondContact O-CB 3.39Å; S473-L476 PolarHBondContact O-N 3.4Å; S473-I477 WeakPolarHBondContact O-CG1 3.48Å; S473-I477 PolarHBondContact O-N 3.49Å
474D92.3Very high92.5Very high15 Ų1537 Ų378%0.0818%0.184CC..Hα-helixtrans-63.9-41.3176.7-159.354.1000112.7A286 R289 I470 L471 L472 L476 I477 S478A286-D474 WeakPolarHBondContact CA-OD1 3.45Å; A286-D474 HydrophobicContact CB-CB 3.63Å; R289-D474 VanDerWaalsContact CZ-CG 3.44Å; R289-D474 IonicContact CZ-OD1 3.85Å; R289-D474 IonicContact CZ-OD2 2.85Å; R289-D474 IonicContact NE-OD1 3.6Å; R289-D474 PolarHBondContact NE-OD1 2.86Å; R289-D474 IonicContact NE-OD2 3.95Å; R289-D474 IonicContact NH1-OD2 3.85Å; R289-D474 PolarHBondContact NH2-O 3.28Å; R289-D474 IonicContact NH2-OD1 3.2Å; R289-D474 PolarHBondContact NH2-OD1 3.29Å; R289-D474 IonicContact NH2-OD2 3.82Å; R289-D474 PolarHBondContact NH2-OD2 3.28Å; R289-D474 VanDerWaalsContact NH2-OD2 3.16Å; I470-D474 WeakPolarHBondContact O-CB 3.28Å; I470-D474 PolarHBondContact O-N 3.29Å; L471-D474 WeakPolarHBondContact O-CB 3.43Å; L471-D474 PolarHBondContact O-N 3.42Å; L472-D474 PolarHBondContact O-N 2.77Å; D474-L476 VanDerWaalsContact C-N 3.29Å; D474-L476 PolarHBondContact O-N 2.97Å; D474-I477 PolarHBondContact O-N 3.39Å; D474-I477 VanDerWaalsContact O-N 3.1Å; D474-S478 PolarHBondContact O-N 3.1Å; D474-S478 PolarHBondContact O-OG 3.11Å
475K92.2Very high92.1Very high132 Ų13236.6 Ų36.657%0.57418%0.179SC*.Hα-helixtrans-58.5-43173.8-70.6174.2-176.7173.80111.6L471 L472 I477 S478 E479L471-K475 PolarHBondContact O-N 3.07Å; L472-K475 HydrophobicContact CD2-CD 4.43Å; L472-K475 WeakPolarHBondContact O-CB 3.43Å; L472-K475 PolarHBondContact O-N 2.79Å; K475-I477 VanDerWaalsContact C-N 3.34Å; K475-I477 PolarHBondContact O-N 3.25Å; K475-S478 WeakPolarHBondContact O-CB 3.42Å; K475-S478 PolarHBondContact O-N 3.26Å; K475-E479 PolarHBondContact O-N 2.9Å; K475-E479 VanDerWaalsContact O-N 3.08Å
476L93.9Very high91.7Very high4 Ų444.5 Ų44.52%0.02121%0.208CC..Hα-helixtrans-65.9-35175.4-65.5173.4000112.3Y340 I362 L366 N367 L370 L472 S473 D474 S478 E479 L480Y340-L476 HydrophobicContact CD1-CB 4.42Å; I362-L476 HydrophobicContact CG2-CD1 3.7Å; L366-L476 HydrophobicContact CB-CD1 4.17Å; N367-L476 HydrophobicContact CB-CD1 3.98Å; N367-L476 HydrophobicContact CB-CD2 4.38Å; L370-L476 HydrophobicContact CD2-CD1 3.7Å; L472-L476 PolarHBondContact O-N 3.34Å; S473-L476 WeakPolarHBondContact O-CB 3.39Å; S473-L476 PolarHBondContact O-N 3.4Å; D474-L476 VanDerWaalsContact C-N 3.29Å; D474-L476 PolarHBondContact O-N 2.97Å; L476-S478 VanDerWaalsContact C-N 3.34Å; L476-E479 WeakPolarHBondContact O-CB 3.4Å; L476-E479 PolarHBondContact O-N 3.31Å; L476-L480 WeakPolarHBondContact O-CB 3.28Å; L476-L480 PolarHBondContact O-N 3.3Å
477I92.1Very high91.4Very high0 Ų046.3 Ų46.30%022%0.216CC..Hα-helixtrans-65.6-37.7172.4-71.8178.1000111.4I290 M293 I362 S473 D474 K475 E479 L480 L481I290-I477 VanDerWaalsContact CA-CD1 3.44Å; I290-I477 HydrophobicContact CB-CD1 3.93Å; I290-I477 HydrophobicContact CG1-CD1 3.4Å; M293-I477 HydrophobicContact CB-CD1 4.39Å; M293-I477 HydrophobicContact CE-CG2 4.11Å; I362-I477 HydrophobicContact CD1-CD1 4.47Å; I362-I477 HydrophobicContact CD1-CG1 4.07Å; S473-I477 WeakPolarHBondContact O-CG1 3.48Å; S473-I477 PolarHBondContact O-N 3.49Å; D474-I477 PolarHBondContact O-N 3.39Å; D474-I477 VanDerWaalsContact O-N 3.1Å; K475-I477 VanDerWaalsContact C-N 3.34Å; K475-I477 PolarHBondContact O-N 3.25Å; I477-E479 VanDerWaalsContact C-N 3.32Å; I477-E479 PolarHBondContact O-N 2.89Å; I477-L480 PolarHBondContact O-N 3.18Å; I477-L481 HydrophobicContact CG2-CD1 3.98Å; I477-L481 HydrophobicContact CG2-CG 4.25Å; I477-L481 WeakPolarHBondContact O-CB 3.44Å; I477-L481 VanDerWaalsContact O-CG 3.31Å; I477-L481 WeakPolarHBondContact O-CG 3.44Å; I477-L481 PolarHBondContact O-N 2.86Å
478S90.7Very high91Very high53 Ų5343 Ų4337%0.37120%0.201SC..Hα-helixtrans-63.6-39.6174.9-63.90000111.7R289 D474 K475 L476 S482R289-S478 PolarHBondContact NH1-OG 3.17Å; R289-S478 VanDerWaalsContact NH1-OG 3.12Å; R289-S478 PolarHBondContact NH2-OG 2.81Å; D474-S478 PolarHBondContact O-N 3.1Å; D474-S478 PolarHBondContact O-OG 3.11Å; K475-S478 WeakPolarHBondContact O-CB 3.42Å; K475-S478 PolarHBondContact O-N 3.26Å; L476-S478 VanDerWaalsContact C-N 3.34Å; S478-S482 PolarHBondContact O-N 3.46Å; S478-S482 VanDerWaalsContact O-N 3.09Å
479E92.1Very high90.5Very high97 Ų9740.5 Ų40.545%0.45319%0.19SC..Hα-helixtrans-62.7-48.3172.5-68.3172-164.900111K475 L476 I477 L481 S482 E483K475-E479 PolarHBondContact O-N 2.9Å; K475-E479 VanDerWaalsContact O-N 3.08Å; L476-E479 WeakPolarHBondContact O-CB 3.4Å; L476-E479 PolarHBondContact O-N 3.31Å; I477-E479 VanDerWaalsContact C-N 3.32Å; I477-E479 PolarHBondContact O-N 2.89Å; E479-L481 PolarHBondContact O-N 3.41Å; E479-S482 WeakPolarHBondContact O-CB 3.48Å; E479-S482 PolarHBondContact O-N 2.84Å; E479-S482 VanDerWaalsContact O-N 3.11Å; E479-S482 PolarHBondContact O-OG 3.06Å; E479-E483 PolarHBondContact O-N 3.12Å; E479-E483 VanDerWaalsContact O-N 3.1Å
480L92.8Very high90.3Very high0 Ų040.5 Ų40.50%019%0.19CC..Hα-helixtrans-56.6-48.3175.8169.962.3000112.1M293 T336 I337 Y340 L476 I477 S482 E483 M484M293-L480 HydrophobicContact CE-CD2 3.88Å; M293-L480 HydrophobicContact CE-CG 4.25Å; M293-L480 HydrophobicContact CG-CD2 3.81Å; M293-L480 HydrophobicContact SD-CD2 3.86Å; T336-L480 HydrophobicContact CG2-CD1 3.84Å; I337-L480 HydrophobicContact CG1-CD1 4.44Å; I337-L480 HydrophobicContact CG2-CD2 4.41Å; Y340-L480 HydrophobicContact CD1-CB 4.18Å; Y340-L480 HydrophobicContact CD2-CB 4.23Å; Y340-L480 HydrophobicContact CD2-CD1 3.72Å; Y340-L480 HydrophobicContact CD2-CG 4.43Å; Y340-L480 HydrophobicContact CE1-CB 4.41Å; Y340-L480 HydrophobicContact CE2-CB 4.46Å; Y340-L480 HydrophobicContact CE2-CD1 4.23Å; Y340-L480 HydrophobicContact CG-CB 4.09Å; Y340-L480 HydrophobicContact CG-CD1 4.17Å; Y340-L480 HydrophobicContact CG-CD2 4.38Å; Y340-L480 HydrophobicContact CG-CG 4.44Å; L476-L480 WeakPolarHBondContact O-CB 3.28Å; L476-L480 PolarHBondContact O-N 3.3Å; I477-L480 PolarHBondContact O-N 3.18Å; L480-S482 PolarHBondContact O-N 2.91Å; L480-E483 PolarHBondContact O-N 3.48Å; L480-E483 VanDerWaalsContact O-N 3.08Å; L480-M484 HydrophobicContact CD1-CG 3.9Å; L480-M484 HydrophobicContact CD1-SD 3.59Å; L480-M484 VanDerWaalsContact CD1-SD 3.59Å; L480-M484 HydrophobicContact CD2-SD 4.21Å; L480-M484 HydrophobicContact CG-CG 4.38Å; L480-M484 HydrophobicContact CG-SD 3.6Å; L480-M484 VanDerWaalsContact CG-SD 3.6Å; L480-M484 WeakPolarHBondContact O-CG 3.41Å; L480-M484 PolarHBondContact O-N 3.23Å
481L90.5Very high90.1Very high16 Ų1640.6 Ų40.68%0.08419%0.191CC..Hα-helixtrans-56.2-42.2177-79.1169.8000110.7M273 M293 I477 E479 E483 M484 R485 M488M273-L481 HydrophobicContact CE-CD2 4.37Å; M273-L481 HydrophobicContact CG-CD1 4.42Å; M293-L481 HydrophobicContact CE-CD2 3.5Å; M293-L481 VanDerWaalsContact CE-CD2 3.5Å; M293-L481 HydrophobicContact CE-CG 3.73Å; I477-L481 HydrophobicContact CG2-CD1 3.98Å; I477-L481 HydrophobicContact CG2-CG 4.25Å; I477-L481 WeakPolarHBondContact O-CB 3.44Å; I477-L481 VanDerWaalsContact O-CG 3.31Å; I477-L481 WeakPolarHBondContact O-CG 3.44Å; I477-L481 PolarHBondContact O-N 2.86Å; E479-L481 PolarHBondContact O-N 3.41Å; L481-E483 PolarHBondContact O-N 3.13Å; L481-M484 PolarHBondContact O-N 3.14Å; L481-R485 WeakPolarHBondContact O-CG 3.36Å; L481-R485 PolarHBondContact O-N 2.97Å; L481-R485 VanDerWaalsContact O-N 3.14Å; L481-M488 HydrophobicContact CB-CE 4.48Å; L481-M488 HydrophobicContact CD2-CE 3.77Å; L481-M488 VanDerWaalsContact O-CE 3.25Å; L481-M488 WeakPolarHBondContact O-CE 3.29Å
482S88.5Confident89.9Confident69 Ų6938.7 Ų38.748%0.48318%0.181SC..Hα-helixtrans-62.6-38.7177.181.10000113.1S478 E479 L480S478-S482 PolarHBondContact O-N 3.46Å; S478-S482 VanDerWaalsContact O-N 3.09Å; E479-S482 WeakPolarHBondContact O-CB 3.48Å; E479-S482 PolarHBondContact O-N 2.84Å; E479-S482 VanDerWaalsContact O-N 3.11Å; E479-S482 PolarHBondContact O-OG 3.06Å; L480-S482 PolarHBondContact O-N 2.91Å
483E91.6Very high89.6Confident55 Ų5539.5 Ų39.526%0.25719%0.185SC..Hα-helixtrans-68.7-37.2176.3-70.7-165.7-17000112.3T336 R339 Y340 E479 L480 L481 R486T336-E483 HydrophobicContact CG2-CB 4.04Å; R339-E483 IonicContact CZ-OE2 3.58Å; R339-E483 IonicContact NH1-OE2 3.85Å; R339-E483 PolarHBondContact NH1-OE2 2.98Å; Y340-E483 PolarHBondContact OH-OE1 3.32Å; E479-E483 PolarHBondContact O-N 3.12Å; E479-E483 VanDerWaalsContact O-N 3.1Å; L480-E483 PolarHBondContact O-N 3.48Å; L480-E483 VanDerWaalsContact O-N 3.08Å; L481-E483 PolarHBondContact O-N 3.13Å; E483-R486 PolarHBondContact O-NE 3.33Å
484M90.4Very high89.5Confident0 Ų039.5 Ų39.50%019%0.185CC..Hα-helixtrans-74.1-22.2-178.1-70.4170.768.300113.5M293 L296 L333 T336 I337 L480 L481 R486 Y487 M488M293-M484 HydrophobicContact CE-SD 4.07Å; M293-M484 HydrophobicContact SD-CE 4.22Å; M293-M484 HydrophobicContact SD-SD 4.08Å; L296-M484 HydrophobicContact CD2-CE 3.87Å; L333-M484 HydrophobicContact CD2-CB 3.87Å; L333-M484 HydrophobicContact CD2-CE 3.53Å; L333-M484 HydrophobicContact CD2-CG 3.99Å; T336-M484 HydrophobicContact CG2-CG 3.99Å; I337-M484 HydrophobicContact CD1-CE 3.47Å; I337-M484 VanDerWaalsContact CD1-CE 3.47Å; I337-M484 HydrophobicContact CD1-SD 4.16Å; I337-M484 HydrophobicContact CG1-CE 3.53Å; I337-M484 HydrophobicContact CG1-SD 3.54Å; I337-M484 VanDerWaalsContact CG1-SD 3.54Å; L480-M484 HydrophobicContact CD1-CG 3.9Å; L480-M484 HydrophobicContact CD1-SD 3.59Å; L480-M484 VanDerWaalsContact CD1-SD 3.59Å; L480-M484 HydrophobicContact CD2-SD 4.21Å; L480-M484 HydrophobicContact CG-CG 4.38Å; L480-M484 HydrophobicContact CG-SD 3.6Å; L480-M484 VanDerWaalsContact CG-SD 3.6Å; L480-M484 WeakPolarHBondContact O-CG 3.41Å; L480-M484 PolarHBondContact O-N 3.23Å; L481-M484 PolarHBondContact O-N 3.14Å; M484-R486 PolarHBondContact O-N 3.39Å; M484-Y487 PolarHBondContact O-N 3.22Å; M484-M488 HydrophobicContact CB-CE 3.74Å; M484-M488 WeakPolarHBondContact O-CG 3.45Å; M484-M488 PolarHBondContact O-N 3.02Å
485R83.9Confident89.4Confident104 Ų10438.8 Ų38.839%0.39218%0.181SC..G310 helixtrans-44.2-43-172.2-78.5-176-176.1-156-2.1114I158 E277 L481 Y487 M488I158-R485 VanDerWaalsContact CD1-CZ 3.5Å; I158-R485 VanDerWaalsContact CG2-NH1 3.33Å; E277-R485 IonicContact OE1-CZ 3.82Å; E277-R485 IonicContact OE1-NH1 3.97Å; E277-R485 PolarHBondContact OE1-NH1 2.98Å; E277-R485 IonicContact OE1-NH2 3.62Å; E277-R485 PolarHBondContact OE1-NH2 3.23Å; L481-R485 WeakPolarHBondContact O-CG 3.36Å; L481-R485 PolarHBondContact O-N 2.97Å; L481-R485 VanDerWaalsContact O-N 3.14Å; R485-Y487 PolarHBondContact O-N 3.14Å; R485-M488 HydrophobicContact CG-CE 4.26Å; R485-M488 HydrophobicContact CG-SD 4.28Å; R485-M488 PolarHBondContact O-N 3.29Å
486R84.3Confident89.2Confident175 Ų17537.4 Ų37.466%0.6618%0.177SC*.G310 helixtrans-66.9-14.6-177.469.1-178121.9178.1-4.3115.4E483 M484E483-R486 PolarHBondContact O-NE 3.33Å; M484-R486 PolarHBondContact O-N 3.39Å
487Y87.4Confident89.1Confident48 Ų4837.5 Ų37.519%0.18818%0.178CC..G310 helixtrans-113.8-6.7-177.6-49.8-61.4000112.7R329 N332 L333 M484 R485 S489 C490R329-Y487 HydrophobicContact CG-CD1 4.23Å; N332-Y487 HydrophobicContact CB-CD1 4.23Å; N332-Y487 HydrophobicContact CB-CD2 4.32Å; N332-Y487 HydrophobicContact CB-CE1 4.05Å; N332-Y487 HydrophobicContact CB-CE2 4.13Å; N332-Y487 HydrophobicContact CB-CG 4.37Å; L333-Y487 HydrophobicContact CD2-CD2 4.45Å; L333-Y487 HydrophobicContact CG-CG 4.44Å; M484-Y487 PolarHBondContact O-N 3.22Å; R485-Y487 PolarHBondContact O-N 3.14Å; Y487-S489 PolarHBondContact O-N 3.31Å; Y487-S489 VanDerWaalsContact O-N 3.11Å; Y487-C490 PolarHBondContact O-N 3.47Å; Y487-C490 PolarHBondContact O-SG 3.15Å
488M83.9Confident89.1Confident16 Ų1637.6 Ų37.68%0.07918%0.178CC..THydrogen-bonded Turntrans-64.1-20.3-169.8-71.2176.4174.300114.2C274 L481 M484 R485 C490 L491C274-M488 HydrophobicContact CB-CE 3.89Å; C274-M488 HydrophobicContact CB-CG 4.38Å; C274-M488 HydrophobicContact CB-SD 3.66Å; L481-M488 HydrophobicContact CB-CE 4.48Å; L481-M488 HydrophobicContact CD2-CE 3.77Å; L481-M488 VanDerWaalsContact O-CE 3.25Å; L481-M488 WeakPolarHBondContact O-CE 3.29Å; M484-M488 HydrophobicContact CB-CE 3.74Å; M484-M488 WeakPolarHBondContact O-CG 3.45Å; M484-M488 PolarHBondContact O-N 3.02Å; R485-M488 HydrophobicContact CG-CE 4.26Å; R485-M488 HydrophobicContact CG-SD 4.28Å; R485-M488 PolarHBondContact O-N 3.29Å; M488-C490 PolarHBondContact O-N 3.27Å; M488-L491 WeakPolarHBondContact O-CB 3.28Å; M488-L491 PolarHBondContact O-N 3.18Å
489S84.4Confident89Confident7 Ų735.2 Ų35.25%0.04916%0.162CC..THydrogen-bonded Turntrans-55.7-37.8179.329.30000113E124 R329 Y487 L491 Y492E124-S489 WeakPolarHBondContact OE1-CB 3.29Å; E124-S489 PolarHBondContact OE1-OG 2.81Å; E124-S489 WeakPolarHBondContact OE2-CB 3.41Å; R329-S489 PolarHBondContact NH1-OG 3.17Å; Y487-S489 PolarHBondContact O-N 3.31Å; Y487-S489 VanDerWaalsContact O-N 3.11Å; S489-L491 PolarHBondContact O-N 3.23Å; S489-L491 VanDerWaalsContact O-N 3.16Å; S489-Y492 WeakPolarHBondContact O-CB 3.41Å; S489-Y492 PolarHBondContact O-N 3.31Å; S489-Y492 VanDerWaalsContact O-N 3.15Å
490C90.2Very high89Confident0 Ų031.3 Ų31.30%015%0.145CC..Hα-helixtrans-67.3-16.4-179.1730000113.5R329 F330 L333 Y487 M488 Y492 D493 L494R329-C490 HydrophobicContact CB-CB 4.07Å; F330-C490 HydrophobicContact CD1-CB 4.38Å; F330-C490 VanDerWaalsContact CD1-SG 3.57Å; F330-C490 HydrophobicContact CE1-CB 3.77Å; F330-C490 WeakPolarHBondContact CE1-O 3.42Å; F330-C490 WeakPolarHBondContact CE1-SG 3.42Å; F330-C490 HydrophobicContact CE2-CB 4.24Å; F330-C490 HydrophobicContact CZ-CB 3.69Å; F330-C490 VanDerWaalsContact CZ-O 3.3Å; F330-C490 WeakPolarHBondContact CZ-O 3.41Å; L333-C490 WeakPolarHBondContact CD1-SG 3.39Å; Y487-C490 PolarHBondContact O-N 3.47Å; Y487-C490 PolarHBondContact O-SG 3.15Å; M488-C490 PolarHBondContact O-N 3.27Å; C490-Y492 VanDerWaalsContact C-N 3.26Å; C490-Y492 PolarHBondContact O-N 3.49Å; C490-D493 WeakPolarHBondContact O-CB 3.48Å; C490-D493 PolarHBondContact O-N 3.32Å; C490-L494 WeakPolarHBondContact O-CB 3.26Å; C490-L494 PolarHBondContact O-N 3.11Å
491L90.3Very high89Confident2 Ų231.4 Ų31.41%0.0115%0.145CC..Hα-helixtrans-67-30175.1-62-179.5000112.1I271 L296 L300 L333 M488 S489 S495I271-L491 HydrophobicContact CG1-CB 4.28Å; L296-L491 HydrophobicContact CD1-CD1 4.27Å; L296-L491 HydrophobicContact CD1-CD2 3.89Å; L296-L491 HydrophobicContact CD2-CD1 4.28Å; L300-L491 HydrophobicContact CD2-CD2 4.12Å; L333-L491 HydrophobicContact CD1-CD2 4Å; L333-L491 HydrophobicContact CD1-CG 4.21Å; M488-L491 WeakPolarHBondContact O-CB 3.28Å; M488-L491 PolarHBondContact O-N 3.18Å; S489-L491 PolarHBondContact O-N 3.23Å; S489-L491 VanDerWaalsContact O-N 3.16Å; L491-S495 WeakPolarHBondContact O-CB 3.41Å; L491-S495 PolarHBondContact O-N 3.46Å
492Y87.7Confident89.1Confident6 Ų630.8 Ų30.82%0.02414%0.142CC..Hα-helixtrans-68-43.2172.8-73.5-76.4000111.6P30 V31 L122 S161 R163 I271 I275 S489 C490 L494 S495 E496P30-Y492 PolarHBondContact O-OH 3.05Å; V31-Y492 HydrophobicContact CG2-CD1 3.81Å; V31-Y492 HydrophobicContact CG2-CE1 3.62Å; L122-Y492 HydrophobicContact CD1-CD2 3.75Å; L122-Y492 HydrophobicContact CD1-CE2 3.68Å; S161-Y492 WeakPolarHBondContact O-CE2 3.17Å; S161-Y492 PolarHBondContact O-OH 3.44Å; R163-Y492 HydrophobicContact CB-CD1 3.9Å; R163-Y492 HydrophobicContact CB-CD2 4.11Å; R163-Y492 HydrophobicContact CB-CE1 3.84Å; R163-Y492 HydrophobicContact CB-CE2 4.06Å; R163-Y492 HydrophobicContact CB-CG 3.98Å; R163-Y492 PolarHBondContact N-OH 3.13Å; I271-Y492 HydrophobicContact CG2-CD1 4.45Å; I271-Y492 HydrophobicContact CG2-CE1 3.94Å; I275-Y492 HydrophobicContact CD1-CE1 4.39Å; I275-Y492 HydrophobicContact CD1-CE2 3.99Å; I275-Y492 WeakPolarHBondContact CD1-OH 3.38Å; S489-Y492 WeakPolarHBondContact O-CB 3.41Å; S489-Y492 PolarHBondContact O-N 3.31Å; S489-Y492 VanDerWaalsContact O-N 3.15Å; C490-Y492 VanDerWaalsContact C-N 3.26Å; C490-Y492 PolarHBondContact O-N 3.49Å; Y492-L494 VanDerWaalsContact C-N 3.31Å; Y492-L494 PolarHBondContact O-N 3.43Å; Y492-S495 PolarHBondContact O-N 3.23Å; Y492-E496 WeakPolarHBondContact O-CB 3.47Å; Y492-E496 PolarHBondContact O-N 2.85Å
493D88.8Confident89.3Confident30 Ų3027.9 Ų27.916%0.1612%0.121CC..Hα-helixtrans-60.1-44.1175.2-65-44.7000111.1R163 V324 R329 C490 S495 E496 V497R163-D493 IonicContact CZ-OD1 2.76Å; R163-D493 IonicContact NH1-OD1 2.63Å; R163-D493 PolarHBondContact NH1-OD1 2.95Å; R163-D493 IonicContact NH2-OD1 2.92Å; R163-D493 PolarHBondContact NH2-OD1 3.37Å; R163-D493 IonicContact NH2-OD2 3.61Å; V324-D493 HydrophobicContact CG1-CB 3.67Å; R329-D493 IonicContact NH2-OD2 3.81Å; R329-D493 PolarHBondContact NH2-OD2 3.48Å; C490-D493 WeakPolarHBondContact O-CB 3.48Å; C490-D493 PolarHBondContact O-N 3.32Å; D493-S495 PolarHBondContact O-N 2.92Å; D493-E496 PolarHBondContact O-N 3.47Å; D493-V497 WeakPolarHBondContact O-CG2 3.25Å; D493-V497 PolarHBondContact O-N 2.92Å
494L92.1Very high89.4Confident0 Ų025.4 Ų25.40%011%0.109CC..Hα-helixtrans-61.1-46.1176.5-176.556.4000112M264 I267 T299 L300 V303 L325 F330 C490 Y492 E496 V497 I498M264-L494 HydrophobicContact CE-CD1 3.94Å; M264-L494 HydrophobicContact CE-CD2 4.35Å; M264-L494 HydrophobicContact CE-CG 4.45Å; I267-L494 HydrophobicContact CD1-CB 3.98Å; I267-L494 HydrophobicContact CD1-CD2 3.41Å; I267-L494 VanDerWaalsContact CD1-CD2 3.41Å; I267-L494 HydrophobicContact CD1-CG 3.47Å; I267-L494 VanDerWaalsContact CD1-CG 3.47Å; T299-L494 HydrophobicContact CG2-CD2 4.38Å; L300-L494 HydrophobicContact CD2-CD2 4.31Å; V303-L494 HydrophobicContact CG2-CD1 4.02Å; V303-L494 HydrophobicContact CG2-CD2 3.77Å; L325-L494 HydrophobicContact CD2-CD1 3.49Å; L325-L494 VanDerWaalsContact CD2-CD1 3.49Å; F330-L494 HydrophobicContact CD1-CD2 4.4Å; F330-L494 HydrophobicContact CE1-CB 3.76Å; F330-L494 HydrophobicContact CE1-CD2 3.91Å; F330-L494 HydrophobicContact CE1-CG 4.31Å; F330-L494 HydrophobicContact CZ-CB 3.93Å; C490-L494 WeakPolarHBondContact O-CB 3.26Å; C490-L494 PolarHBondContact O-N 3.11Å; Y492-L494 VanDerWaalsContact C-N 3.31Å; Y492-L494 PolarHBondContact O-N 3.43Å; L494-E496 VanDerWaalsContact C-N 3.31Å; L494-E496 PolarHBondContact O-N 2.86Å; L494-V497 PolarHBondContact O-N 2.85Å; L494-I498 HydrophobicContact CD1-CD1 3.86Å; L494-I498 HydrophobicContact CD1-CG1 4.23Å; L494-I498 HydrophobicContact CG-CD1 3.76Å; L494-I498 WeakPolarHBondContact O-CB 3.36Å; L494-I498 WeakPolarHBondContact O-CD1 3.08Å; L494-I498 WeakPolarHBondContact O-CG1 3.35Å; L494-I498 PolarHBondContact O-N 2.8Å
495S89.2Confident89.7Confident0 Ų025.6 Ų25.60%011%0.11CC..Hα-helixtrans-60.1-40.5176.1167.40000112.1Q29 L491 Y492 D493 S499Q29-S495 PolarHBondContact NE2-OG 3Å; L491-S495 WeakPolarHBondContact O-CB 3.41Å; L491-S495 PolarHBondContact O-N 3.46Å; Y492-S495 PolarHBondContact O-N 3.23Å; D493-S495 PolarHBondContact O-N 2.92Å; S495-S499 VanDerWaalsContact O-CB 3.31Å; S495-S499 WeakPolarHBondContact O-CB 3.27Å; S495-S499 PolarHBondContact O-N 3.05Å; S495-S499 PolarHBondContact O-OG 2.9Å
496E87.2Confident90.2Very high103 Ų10320.7 Ų20.748%0.4819%0.092SC..Hα-helixtrans-67.7-43.8178.4-175.4168.7-175.400112.2R163 Y492 D493 L494 S499 S500R163-E496 IonicContact NH1-OE2 2.75Å; R163-E496 PolarHBondContact NH1-OE2 3.11Å; Y492-E496 WeakPolarHBondContact O-CB 3.47Å; Y492-E496 PolarHBondContact O-N 2.85Å; D493-E496 PolarHBondContact O-N 3.47Å; L494-E496 VanDerWaalsContact C-N 3.31Å; L494-E496 PolarHBondContact O-N 2.86Å; E496-S499 PolarHBondContact O-N 3.35Å; E496-S500 WeakPolarHBondContact O-CB 3.21Å; E496-S500 PolarHBondContact O-N 2.96Å; E496-S500 PolarHBondContact O-OG 3.4Å
497V92.1Very high90.7Very high7 Ų712.4 Ų12.44%0.0426%0.061CC..Hα-helixtrans-61.6-48.6175.31690000111Y321 V324 L325 D493 L494 S499 S500 L501Y321-V497 HydrophobicContact CD1-CG1 4.5Å; Y321-V497 HydrophobicContact CD1-CG2 4.04Å; Y321-V497 HydrophobicContact CG-CG1 4.11Å; Y321-V497 HydrophobicContact CG-CG2 4.4Å; V324-V497 HydrophobicContact CB-CG2 4.32Å; V324-V497 HydrophobicContact CG1-CG2 4.01Å; L325-V497 HydrophobicContact CD1-CG1 4.22Å; L325-V497 HydrophobicContact CD2-CG1 4.36Å; L325-V497 HydrophobicContact CG-CG1 4.36Å; D493-V497 WeakPolarHBondContact O-CG2 3.25Å; D493-V497 PolarHBondContact O-N 2.92Å; L494-V497 PolarHBondContact O-N 2.85Å; V497-S499 VanDerWaalsContact C-N 3.35Å; V497-S499 PolarHBondContact O-N 3.45Å; V497-S500 PolarHBondContact O-N 3.42Å; V497-L501 HydrophobicContact CG1-CD1 3.73Å; V497-L501 HydrophobicContact CG1-CG 4.36Å; V497-L501 WeakPolarHBondContact O-CB 3.47Å; V497-L501 WeakPolarHBondContact O-CG 3.39Å; V497-L501 PolarHBondContact O-N 2.88Å
498I92.4Very high91.1Very high1 Ų110.1 Ų10.11%0.0055%0.052CC..Hα-helixtrans-58.1-47.9178-72.2165000110.6T216 L261 M264 I267 L494 S500 L501 D502T216-I498 HydrophobicContact CG2-CG2 3.8Å; L261-I498 HydrophobicContact CD2-CB 4.18Å; L261-I498 HydrophobicContact CD2-CG1 4.15Å; L261-I498 HydrophobicContact CD2-CG2 3.85Å; M264-I498 HydrophobicContact CB-CD1 4.1Å; M264-I498 HydrophobicContact CE-CD1 3.63Å; M264-I498 HydrophobicContact CE-CG1 4.27Å; M264-I498 HydrophobicContact SD-CD1 4.29Å; I267-I498 HydrophobicContact CB-CD1 4.5Å; I267-I498 HydrophobicContact CD1-CD1 3.99Å; I267-I498 HydrophobicContact CG2-CD1 3.94Å; L494-I498 HydrophobicContact CD1-CD1 3.86Å; L494-I498 HydrophobicContact CD1-CG1 4.23Å; L494-I498 HydrophobicContact CG-CD1 3.76Å; L494-I498 WeakPolarHBondContact O-CB 3.36Å; L494-I498 WeakPolarHBondContact O-CD1 3.08Å; L494-I498 WeakPolarHBondContact O-CG1 3.35Å; L494-I498 PolarHBondContact O-N 2.8Å; I498-S500 VanDerWaalsContact C-N 3.35Å; I498-S500 PolarHBondContact O-N 3.04Å; I498-L501 PolarHBondContact O-N 3.49Å; I498-D502 VanDerWaalsContact O-CB 3.29Å; I498-D502 WeakPolarHBondContact O-CB 3.22Å; I498-D502 PolarHBondContact O-N 3.01Å
499S88.9Confident91.6Very high4 Ų49.9 Ų9.93%0.0285%0.051CC..Hα-helixtrans-62.4-42.8-179.6-58.10000111.9G218 G219 S495 E496 V497 F503G218-S499 WeakPolarHBondContact CA-OG 3.47Å; G219-S499 WeakPolarHBondContact CA-O 3.4Å; S495-S499 VanDerWaalsContact O-CB 3.31Å; S495-S499 WeakPolarHBondContact O-CB 3.27Å; S495-S499 PolarHBondContact O-N 3.05Å; S495-S499 PolarHBondContact O-OG 2.9Å; E496-S499 PolarHBondContact O-N 3.35Å; V497-S499 VanDerWaalsContact C-N 3.35Å; V497-S499 PolarHBondContact O-N 3.45Å; S499-F503 WeakPolarHBondContact O-CB 3.47Å; S499-F503 PolarHBondContact O-N 2.85Å
500S91.7Very high92.1Very high14 Ų1410.7 Ų10.710%0.0985%0.053CC..Hα-helixtrans-68.2-42.1-179.6-56.60000112.1M222 Y321 E496 V497 I498 I504M222-S500 WeakPolarHBondContact CE-OG 3.34Å; Y321-S500 WeakPolarHBondContact OH-CB 3.02Å; E496-S500 WeakPolarHBondContact O-CB 3.21Å; E496-S500 PolarHBondContact O-N 2.96Å; E496-S500 PolarHBondContact O-OG 3.4Å; V497-S500 PolarHBondContact O-N 3.42Å; I498-S500 VanDerWaalsContact C-N 3.35Å; I498-S500 PolarHBondContact O-N 3.04Å; S500-I504 WeakPolarHBondContact O-CG1 3.46Å; S500-I504 PolarHBondContact O-N 3.15Å; S500-I504 VanDerWaalsContact O-N 3.1Å
501L94.3Very high92.3Very high2 Ų210.8 Ų10.81%0.015%0.054CC..Hα-helixtrans-63.7-46.5175.2-75.9170.9000111.7L261 L306 L310 F318 Y321 V497 I498 F503 I504 L505L261-L501 HydrophobicContact CD1-CB 4.04Å; L261-L501 HydrophobicContact CD2-CB 4.34Å; L306-L501 HydrophobicContact CD1-CD1 4.27Å; L306-L501 HydrophobicContact CD2-CD1 4.48Å; L310-L501 HydrophobicContact CD1-CD1 4.23Å; L310-L501 HydrophobicContact CD2-CD1 4.04Å; L310-L501 HydrophobicContact CD2-CD2 3.8Å; F318-L501 HydrophobicContact CD1-CD2 3.82Å; F318-L501 HydrophobicContact CE1-CD2 3.78Å; Y321-L501 HydrophobicContact CD2-CD2 3.68Å; Y321-L501 HydrophobicContact CD2-CG 3.93Å; Y321-L501 HydrophobicContact CE2-CD2 3.92Å; Y321-L501 HydrophobicContact CE2-CG 4.17Å; V497-L501 HydrophobicContact CG1-CD1 3.73Å; V497-L501 HydrophobicContact CG1-CG 4.36Å; V497-L501 WeakPolarHBondContact O-CB 3.47Å; V497-L501 WeakPolarHBondContact O-CG 3.39Å; V497-L501 PolarHBondContact O-N 2.88Å; I498-L501 PolarHBondContact O-N 3.49Å; L501-F503 VanDerWaalsContact C-N 3.32Å; L501-F503 PolarHBondContact O-N 3.37Å; L501-I504 PolarHBondContact O-N 2.89Å; L501-L505 WeakPolarHBondContact O-CB 3.46Å; L501-L505 WeakPolarHBondContact O-CG 3.32Å; L501-L505 PolarHBondContact O-N 3.34Å
502D91.9Very high92.5Very high4 Ų414.9 Ų14.92%0.0217%0.073CC..Hα-helixtrans-63.6-38.7179.6-169.633.1000111.8T214 C215 T216 L261 I498 L505 S506T214-D502 WeakPolarHBondContact CA-OD1 3.41Å; T214-D502 WeakPolarHBondContact CB-OD2 3.39Å; C215-D502 PolarHBondContact N-OD1 3.21Å; C215-D502 PolarHBondContact N-OD2 2.7Å; T216-D502 WeakPolarHBondContact CA-OD2 3.39Å; T216-D502 VanDerWaalsContact CB-OD2 3.31Å; T216-D502 WeakPolarHBondContact CB-OD2 3.2Å; T216-D502 HydrophobicContact CG2-CB 4.33Å; T216-D502 WeakPolarHBondContact CG2-OD2 3.4Å; T216-D502 PolarHBondContact N-OD2 2.99Å; T216-D502 PolarHBondContact OG1-OD2 2.65Å; L261-D502 HydrophobicContact CD1-CB 4.26Å; I498-D502 VanDerWaalsContact O-CB 3.29Å; I498-D502 WeakPolarHBondContact O-CB 3.22Å; I498-D502 PolarHBondContact O-N 3.01Å; D502-L505 PolarHBondContact O-N 3.23Å; D502-S506 WeakPolarHBondContact O-CB 3.44Å; D502-S506 PolarHBondContact O-N 3.25Å
503F91.9Very high92.7Very high7 Ų719.7 Ų19.73%0.03110%0.099CC..Hα-helixtrans-58.6-50.5171.3164.2-117.7000112.4M222 L223 S499 L501 L505 S506 L507 M583M222-F503 HydrophobicContact CB-CB 4.44Å; M222-F503 HydrophobicContact CG-CB 4.31Å; M222-F503 HydrophobicContact CG-CD1 4.43Å; M222-F503 HydrophobicContact CG-CG 4.29Å; M222-F503 HydrophobicContact SD-CB 4.15Å; M222-F503 HydrophobicContact SD-CD1 4.24Å; M222-F503 HydrophobicContact SD-CG 4.4Å; L223-F503 HydrophobicContact CB-CD2 3.91Å; L223-F503 HydrophobicContact CB-CE2 4.41Å; L223-F503 HydrophobicContact CD1-CD2 3.86Å; L223-F503 HydrophobicContact CD1-CE2 3.68Å; L223-F503 HydrophobicContact CG-CD2 4.5Å; S499-F503 WeakPolarHBondContact O-CB 3.47Å; S499-F503 PolarHBondContact O-N 2.85Å; L501-F503 VanDerWaalsContact C-N 3.32Å; L501-F503 PolarHBondContact O-N 3.37Å; F503-L505 PolarHBondContact O-N 2.9Å; F503-S506 WeakPolarHBondContact O-CB 3.34Å; F503-S506 PolarHBondContact O-N 3.17Å; F503-L507 HydrophobicContact CD2-CD1 4.45Å; F503-L507 HydrophobicContact CD2-CG 4.45Å; F503-L507 HydrophobicContact CE1-CD1 4.25Å; F503-L507 HydrophobicContact CE2-CD1 3.7Å; F503-L507 HydrophobicContact CE2-CD2 4.32Å; F503-L507 HydrophobicContact CE2-CG 4.01Å; F503-L507 HydrophobicContact CZ-CD1 3.58Å; F503-L507 HydrophobicContact CZ-CG 4.39Å; F503-L507 PolarHBondContact O-N 3.45Å; F503-M583 HydrophobicContact CE2-CE 4.44Å
504I94.6Very high92.7Very high3 Ų318.7 Ų18.72%0.0159%0.094CC..Hα-helixtrans-64-42.1179.9-66.5167.4000110.9A243 I244 L247 L317 Y321 S500 L501 S506 L507 T508A243-I504 HydrophobicContact CB-CG2 4.33Å; I244-I504 HydrophobicContact CG1-CG2 3.98Å; L247-I504 HydrophobicContact CD1-CG2 3.72Å; L317-I504 HydrophobicContact CD1-CD1 4.42Å; Y321-I504 HydrophobicContact CE2-CD1 4.45Å; S500-I504 WeakPolarHBondContact O-CG1 3.46Å; S500-I504 PolarHBondContact O-N 3.15Å; S500-I504 VanDerWaalsContact O-N 3.1Å; L501-I504 PolarHBondContact O-N 2.89Å; I504-S506 VanDerWaalsContact C-N 3.29Å; I504-S506 PolarHBondContact O-N 2.91Å; I504-L507 PolarHBondContact O-N 3.31Å; I504-T508 WeakPolarHBondContact O-CB 3.25Å; I504-T508 PolarHBondContact O-N 3.47Å; I504-T508 PolarHBondContact O-OG1 2.92Å
505L95.4Very high92.6Very high4 Ų425 Ų252%0.02113%0.128CC..Hα-helixtrans-63.6-36.5176.6-75.3166.4000111.8L247 C254 L257 L261 L501 D502 F503 T508 T509L247-L505 HydrophobicContact CD1-CD2 4.02Å; L247-L505 HydrophobicContact CD2-CD2 4.2Å; C254-L505 VanDerWaalsContact SG-CD2 3.55Å; L257-L505 HydrophobicContact CB-CD1 4.04Å; L257-L505 HydrophobicContact CB-CD2 4.48Å; L261-L505 HydrophobicContact CD1-CD1 3.25Å; L501-L505 WeakPolarHBondContact O-CB 3.46Å; L501-L505 WeakPolarHBondContact O-CG 3.32Å; L501-L505 PolarHBondContact O-N 3.34Å; D502-L505 PolarHBondContact O-N 3.23Å; F503-L505 PolarHBondContact O-N 2.9Å; L505-T508 WeakPolarHBondContact O-CB 3.4Å; L505-T508 PolarHBondContact O-N 2.79Å; L505-T509 WeakPolarHBondContact O-CB 3.45Å; L505-T509 PolarHBondContact O-N 2.97Å; L505-T509 PolarHBondContact O-OG1 3.05Å
506S94.4Very high92.9Very high1 Ų125.6 Ų25.61%0.00713%0.13CC..Hα-helixtrans-59.6-47.5175-166.10000111.5L211 F213 T214 D502 F503 I504 T509 R510L211-S506 PolarHBondContact O-OG 3.42Å; F213-S506 PolarHBondContact N-OG 3.39Å; T214-S506 PolarHBondContact N-OG 3.3Å; D502-S506 WeakPolarHBondContact O-CB 3.44Å; D502-S506 PolarHBondContact O-N 3.25Å; F503-S506 WeakPolarHBondContact O-CB 3.34Å; F503-S506 PolarHBondContact O-N 3.17Å; I504-S506 VanDerWaalsContact C-N 3.29Å; I504-S506 PolarHBondContact O-N 2.91Å; S506-T509 PolarHBondContact O-N 3.41Å; S506-R510 PolarHBondContact O-N 3.27Å
507L95.8Very high93.3Very high1 Ų122.6 Ų22.61%0.00512%0.119CC..Hα-helixtrans-63.9-41.6175.8-61.8-177.2000112L211 L223 I244 F503 I504 T509 R510 A511L211-L507 HydrophobicContact CD2-CD2 4.22Å; L223-L507 HydrophobicContact CD1-CD2 4.08Å; I244-L507 HydrophobicContact CD1-CB 3.7Å; I244-L507 HydrophobicContact CD1-CD1 4.11Å; F503-L507 HydrophobicContact CD2-CD1 4.45Å; F503-L507 HydrophobicContact CD2-CG 4.45Å; F503-L507 HydrophobicContact CE1-CD1 4.25Å; F503-L507 HydrophobicContact CE2-CD1 3.7Å; F503-L507 HydrophobicContact CE2-CD2 4.32Å; F503-L507 HydrophobicContact CE2-CG 4.01Å; F503-L507 HydrophobicContact CZ-CD1 3.58Å; F503-L507 HydrophobicContact CZ-CG 4.39Å; F503-L507 PolarHBondContact O-N 3.45Å; I504-L507 PolarHBondContact O-N 3.31Å; L507-T509 PolarHBondContact O-N 3.4Å; L507-R510 PolarHBondContact O-N 3Å; L507-A511 PolarHBondContact O-N 2.95Å
508T96.1Very high93.5Very high1 Ų125.2 Ų25.21%0.00613%0.128CC..Hα-helixtrans-59.6-47.2176.8-55.70000111.2I244 L247 L248 I504 L505 R510 A511 E512I244-T508 HydrophobicContact CG2-CG2 4.49Å; L247-T508 HydrophobicContact CB-CG2 3.68Å; L247-T508 HydrophobicContact CD1-CG2 4.41Å; L247-T508 WeakPolarHBondContact CD1-OG1 3.3Å; L248-T508 HydrophobicContact CD2-CG2 3.78Å; L248-T508 HydrophobicContact CG-CG2 3.98Å; I504-T508 WeakPolarHBondContact O-CB 3.25Å; I504-T508 PolarHBondContact O-N 3.47Å; I504-T508 PolarHBondContact O-OG1 2.92Å; L505-T508 WeakPolarHBondContact O-CB 3.4Å; L505-T508 PolarHBondContact O-N 2.79Å; T508-R510 PolarHBondContact O-N 3.42Å; T508-A511 PolarHBondContact O-N 3.01Å; T508-A511 VanDerWaalsContact O-N 3.13Å; T508-E512 WeakPolarHBondContact O-CB 3.37Å; T508-E512 PolarHBondContact O-N 3.4Å
509T94.9Very high93.7Very high10 Ų1025.2 Ų25.26%0.06113%0.128CC..Hα-helixtrans-57.9-39.8178-48.70000110.9F213 R258 L505 S506 L507 L513F213-T509 HydrophobicContact CB-CG2 4.12Å; F213-T509 HydrophobicContact CD1-CG2 3.95Å; F213-T509 HydrophobicContact CD2-CG2 4.19Å; F213-T509 HydrophobicContact CG-CG2 3.78Å; R258-T509 PolarHBondContact NH2-OG1 3.41Å; L505-T509 WeakPolarHBondContact O-CB 3.45Å; L505-T509 PolarHBondContact O-N 2.97Å; L505-T509 PolarHBondContact O-OG1 3.05Å; S506-T509 PolarHBondContact O-N 3.41Å; L507-T509 PolarHBondContact O-N 3.4Å; T509-L513 HydrophobicContact CG2-CD1 3.87Å; T509-L513 WeakPolarHBondContact O-CB 3.32Å; T509-L513 WeakPolarHBondContact O-CD1 3.43Å; T509-L513 VanDerWaalsContact O-CG 3.28Å; T509-L513 WeakPolarHBondContact O-CG 3.25Å; T509-L513 PolarHBondContact O-N 3.2Å; T509-L513 VanDerWaalsContact O-N 3.12Å
510R94.1Very high94Very high25 Ų2529.6 Ų29.69%0.09415%0.151CC..Hα-helixtrans-69.8-43.9176.6-178.874.2-21.3-150.9-8.4112.6V210 L211 F213 S506 L507 T508 E512 L513 S514 W516 C537V210-R510 WeakPolarHBondContact O-CD 3.42Å; V210-R510 PolarHBondContact O-NE 3.49Å; L211-R510 HydrophobicContact CD2-CB 4.39Å; L211-R510 HydrophobicContact CD2-CG 4.01Å; F213-R510 HydrophobicContact CD2-CB 4.5Å; F213-R510 HydrophobicContact CE2-CB 4.24Å; F213-R510 VanDerWaalsContact CE2-NE 3.3Å; S506-R510 PolarHBondContact O-N 3.27Å; L507-R510 PolarHBondContact O-N 3Å; T508-R510 PolarHBondContact O-N 3.42Å; R510-E512 VanDerWaalsContact C-N 3.27Å; R510-E512 PolarHBondContact O-N 3.23Å; R510-L513 VanDerWaalsContact NH2-CB 3.34Å; R510-L513 PolarHBondContact O-N 3.03Å; R510-S514 PolarHBondContact NH1-OG 3.09Å; R510-S514 PolarHBondContact O-N 3.13Å; R510-W516 HydrophobicContact CB-CZ3 4.44Å; R510-W516 HydrophobicContact CG-CD2 4.21Å; R510-W516 HydrophobicContact CG-CE3 3.79Å; R510-W516 HydrophobicContact CG-CH2 3.4Å; R510-W516 VanDerWaalsContact CG-CH2 3.4Å; R510-W516 HydrophobicContact CG-CZ2 3.81Å; R510-W516 HydrophobicContact CG-CZ3 3.39Å; R510-C537 PolarHBondContact NH1-SG 3.3Å
511A94.6Very high94.1Very high2 Ų230.8 Ų30.82%0.01716%0.155CC..Hα-helixtrans-58.2-42.9177.900000111.6I244 L248 L507 T508 N515 W516 F586I244-A511 HydrophobicContact CG2-CB 4.42Å; L248-A511 HydrophobicContact CD1-CB 4.16Å; L507-A511 PolarHBondContact O-N 2.95Å; T508-A511 PolarHBondContact O-N 3.01Å; T508-A511 VanDerWaalsContact O-N 3.13Å; A511-N515 VanDerWaalsContact O-CA 3.31Å; A511-N515 WeakPolarHBondContact O-CA 3.29Å; A511-N515 PolarHBondContact O-N 2.91Å; A511-W516 HydrophobicContact CB-CB 4.47Å; A511-W516 PolarHBondContact O-N 3.28Å; A511-F586 HydrophobicContact CB-CB 3.85Å; A511-F586 HydrophobicContact CB-CD2 3.96Å; A511-F586 HydrophobicContact CB-CG 4.05Å
512E93.7Very high93.9Very high88 Ų8833.3 Ų33.341%0.41117%0.172SC..Hα-helixtrans-63.3-53.5177.3-171.8-178.5-166.100112.1L248 T508 R510 S514 N515L248-E512 HydrophobicContact CD2-CB 3.69Å; L248-E512 HydrophobicContact CD2-CG 4.33Å; T508-E512 WeakPolarHBondContact O-CB 3.37Å; T508-E512 PolarHBondContact O-N 3.4Å; R510-E512 VanDerWaalsContact C-N 3.27Å; R510-E512 PolarHBondContact O-N 3.23Å; E512-S514 VanDerWaalsContact C-N 3.27Å; E512-S514 PolarHBondContact O-N 2.9Å; E512-N515 PolarHBondContact O-N 3.21Å; E512-N515 PolarHBondContact O-OD1 2.92Å
513L92.3Very high93.6Very high106 Ų10639.1 Ų39.156%0.55520%0.203SC*.Hα-helixtrans-64.2-32.2-174-74.2168.9000113.2F213 T509 R510F213-L513 HydrophobicContact CE1-CD1 4.17Å; F213-L513 HydrophobicContact CZ-CD1 4.22Å; T509-L513 HydrophobicContact CG2-CD1 3.87Å; T509-L513 WeakPolarHBondContact O-CB 3.32Å; T509-L513 WeakPolarHBondContact O-CD1 3.43Å; T509-L513 VanDerWaalsContact O-CG 3.28Å; T509-L513 WeakPolarHBondContact O-CG 3.25Å; T509-L513 PolarHBondContact O-N 3.2Å; T509-L513 VanDerWaalsContact O-N 3.12Å; R510-L513 VanDerWaalsContact NH2-CB 3.34Å; R510-L513 PolarHBondContact O-N 3.03Å
514S89.3Confident93.4Very high10 Ų1039.3 Ų39.37%0.0721%0.205CC..Hα-helixtrans-106.4-2-175.4-68.30000114.1R510 E512 K540R510-S514 PolarHBondContact NH1-OG 3.09Å; R510-S514 PolarHBondContact O-N 3.13Å; E512-S514 VanDerWaalsContact C-N 3.27Å; E512-S514 PolarHBondContact O-N 2.9Å; S514-K540 PolarHBondContact O-NZ 3.33Å
515N90.5Very high93.3Very high133 Ų13339.6 Ų39.671%0.71121%0.207SC*.THydrogen-bonded Turntrans5350.7-172.8-60.7-38.3000112.2A511 E512A511-N515 VanDerWaalsContact O-CA 3.31Å; A511-N515 WeakPolarHBondContact O-CA 3.29Å; A511-N515 PolarHBondContact O-N 2.91Å; E512-N515 PolarHBondContact O-N 3.21Å; E512-N515 PolarHBondContact O-OD1 2.92Å
516W95.1Very high93.2Very high12 Ų1241.2 Ų41.25%0.04522%0.221CC..  trans-74.7157.3175.3-67.4-2.7000110.8L211 R510 A511 P533 D536 L580 F586 V587 P588L211-W516 HydrophobicContact CD2-CH2 3.91Å; L211-W516 HydrophobicContact CD2-CZ3 3.76Å; R510-W516 HydrophobicContact CB-CZ3 4.44Å; R510-W516 HydrophobicContact CG-CD2 4.21Å; R510-W516 HydrophobicContact CG-CE3 3.79Å; R510-W516 HydrophobicContact CG-CH2 3.4Å; R510-W516 VanDerWaalsContact CG-CH2 3.4Å; R510-W516 HydrophobicContact CG-CZ2 3.81Å; R510-W516 HydrophobicContact CG-CZ3 3.39Å; A511-W516 HydrophobicContact CB-CB 4.47Å; A511-W516 PolarHBondContact O-N 3.28Å; W516-P533 HydrophobicContact CH2-CB 4.31Å; W516-P533 HydrophobicContact CZ2-CB 4.29Å; W516-D536 PolarHBondContact NE1-OD2 3.03Å; W516-L580 HydrophobicContact CH2-CD1 4.29Å; W516-L580 HydrophobicContact CZ3-CD1 4.22Å; W516-L580 HydrophobicContact CZ3-CD2 4.37Å; W516-F586 HydrophobicContact CB-CB 3.76Å; W516-F586 WeakPolarHBondContact O-CD2 3.36Å; W516-V587 WeakPolarHBondContact CB-O 3.15Å; W516-P588 HydrophobicContact CD2-CB 4.47Å; W516-P588 HydrophobicContact CG-CB 4.32Å; W516-P588 HydrophobicContact CZ2-CG 4.22Å
517V95.1Very high93.2Very high39 Ų3941.3 Ų41.324%0.23622%0.221CC..BIsolated β-bridgetrans-107.6148.5-175.6-61.70000111.6P519 F586 V587 A589V517-P519 WeakPolarHBondContact O-CD 3.43Å; V517-F586 CarbonylContact O-C 3.58Å; V517-F586 WeakPolarHBondContact O-CA 3.12Å; V517-F586 WeakPolarHBondContact O-CB 3.48Å; V517-V587 HydrophobicContact CG2-CG2 4.11Å; V517-V587 WeakPolarHBondContact CG2-O 3.26Å; V517-V587 PolarHBondContact N-O 3.32Å; V517-V587 PolarHBondContact O-N 2.86Å; V517-A589 VanDerWaalsContact CG1-O 3.29Å; V517-A589 WeakPolarHBondContact CG1-O 3.46Å; V517-A589 HydrophobicContact CG2-CB 4.1Å; V517-A589 VanDerWaalsContact CG2-O 3.25Å; V517-A589 WeakPolarHBondContact CG2-O 3.45Å
518R97.2Very high93.1Very high63 Ų6343 Ų4324%0.23823%0.233CC..PPolyproline II helixtrans-63.5126.1172.7-177.2176.9174.3131.39.6109.7S242 E245 F586S242-R518 VanDerWaalsContact CA-NH1 3.29Å; S242-R518 PolarHBondContact OG-NH1 2.96Å; S242-R518 VanDerWaalsContact OG-NH1 3.1Å; S242-R518 PolarHBondContact OG-NH2 3.43Å; S242-R518 VanDerWaalsContact OG-NH2 3.09Å; E245-R518 IonicContact OE2-CZ 3.76Å; E245-R518 IonicContact OE2-NE 3.94Å; E245-R518 IonicContact OE2-NH1 2.65Å; E245-R518 PolarHBondContact OE2-NH1 2.9Å; R518-F586 HydrophobicContact CB-CD1 4.28Å; R518-F586 HydrophobicContact CB-CD2 4.46Å; R518-F586 HydrophobicContact CB-CE1 3.86Å; R518-F586 HydrophobicContact CB-CE2 4.04Å; R518-F586 HydrophobicContact CB-CZ 3.72Å; R518-F586 HydrophobicContact CG-CE1 4.02Å; R518-F586 HydrophobicContact CG-CZ 4.23Å
519P96.5Very high93Very high0 Ų046.7 Ų46.70%025%0.25CC..PPolyproline II helixtrans-80.5147.1172.632.4-35.1000111.7L241 V517 A581 V587 A592 F594L241-P519 HydrophobicContact CD1-CG 3.97Å; L241-P519 HydrophobicContact CD2-CG 3.95Å; V517-P519 WeakPolarHBondContact O-CD 3.43Å; P519-A581 HydrophobicContact CB-CB 4.14Å; P519-A581 HydrophobicContact CG-CB 4.15Å; P519-V587 HydrophobicContact CB-CG1 4.5Å; P519-V587 HydrophobicContact CB-CG2 4.15Å; P519-V587 HydrophobicContact CG-CG1 4.47Å; P519-A592 WeakPolarHBondContact CA-O 3.46Å; P519-F594 HydrophobicContact CB-CD2 3.73Å; P519-F594 HydrophobicContact CB-CE2 3.69Å
520D95.1Very high93Very high96 Ų9646.4 Ų46.451%0.51325%0.248SC..EExtended strand (participates in β ladder)trans-102.8158.4168.5-66.8-37.8000111A592 S593 F594D520-A592 PolarHBondContact N-O 2.73Å; D520-S593 CarbonylContact O-C 3.33Å; D520-S593 WeakPolarHBondContact O-CA 3.34Å; D520-S593 PolarHBondContact O-OG 2.54Å; D520-F594 PolarHBondContact O-N 2.99Å
521F93.1Very high93Very high40 Ų4048.2 Ų48.218%0.17526%0.255CS..EExtended strand (participates in β ladder)trans-115.1128.5175.7-71-89000111.4L234 I237 L241 A581 Q582 F594 L596L234-F521 HydrophobicContact CD1-CB 3.64Å; L234-F521 HydrophobicContact CD1-CD1 4.19Å; L234-F521 HydrophobicContact CD1-CD2 3.63Å; L234-F521 HydrophobicContact CD1-CE2 4.35Å; L234-F521 HydrophobicContact CD1-CG 3.54Å; I237-F521 HydrophobicContact CD1-CZ 4.43Å; I237-F521 HydrophobicContact CG2-CD2 4.49Å; I237-F521 HydrophobicContact CG2-CE2 3.48Å; I237-F521 VanDerWaalsContact CG2-CE2 3.48Å; I237-F521 HydrophobicContact CG2-CZ 3.69Å; L241-F521 HydrophobicContact CD1-CE2 4.05Å; F521-A581 HydrophobicContact CE1-CB 4.44Å; F521-A581 HydrophobicContact CZ-CB 4.02Å; F521-A581 WeakPolarHBondContact CZ-O 3.13Å; F521-Q582 HydrophobicContact CE1-CG 4.22Å; F521-F594 VanDerWaalsContact CA-O 3.31Å; F521-F594 WeakPolarHBondContact CA-O 3.49Å; F521-F594 HydrophobicContact CD1-CB 4.3Å; F521-F594 HydrophobicContact CE1-CB 4.2Å; F521-L596 HydrophobicContact CD1-CD1 4.33Å; F521-L596 HydrophobicContact CE1-CD1 4.26Å
522S90.5Very high92.9Very high55 Ų5548.5 Ų48.539%0.38526%0.256SS..  trans-148.7-175.5177.675.30000110.7T524 S593 F594 R595S522-T524 PolarHBondContact O-N 3.06Å; S522-T524 PolarHBondContact OG-N 3.33Å; S522-T524 PolarHBondContact OG-O 2.89Å; S522-S593 PolarHBondContact OG-OG 3Å; S522-F594 PolarHBondContact N-O 3.42Å; S522-R595 VanDerWaalsContact O-CA 3.25Å; S522-R595 WeakPolarHBondContact O-CA 3.16Å
523D86.1Confident92.8Very high125 Ų12544.3 Ų44.367%0.66824%0.237SC*.SBendtrans-74.7-6.1174.8-70.4-27.2000113.6
524T88.5Confident92.6Very high12 Ų1239.7 Ų39.77%0.07421%0.213CC..SBendtrans-125.2133.1-174.6-60.40000110.7S522 Y549 A550S522-T524 PolarHBondContact O-N 3.06Å; S522-T524 PolarHBondContact OG-N 3.33Å; S522-T524 PolarHBondContact OG-O 2.89Å; T524-Y549 HydrophobicContact CG2-CD2 4.39Å; T524-Y549 HydrophobicContact CG2-CE2 3.81Å; T524-A550 WeakPolarHBondContact CG2-O 3.32Å
525M92.2Very high92.4Very high9 Ų943 Ų434%0.04423%0.228CC..EExtended strand (participates in β ladder)trans-82.9113.4167179.6-175.4-75.700109.1I527 V548 Y549 A550 V574 S593 F594 F624M525-I527 HydrophobicContact CG-CD1 4.23Å; M525-I527 HydrophobicContact CG-CG1 4.27Å; M525-V548 HydrophobicContact CG-CG1 4.35Å; M525-V548 HydrophobicContact SD-CG1 3.89Å; M525-Y549 CarbonylContact O-C 3.51Å; M525-Y549 WeakPolarHBondContact O-CA 3.37Å; M525-A550 WeakPolarHBondContact CA-O 3.36Å; M525-A550 HydrophobicContact CB-CB 4.25Å; M525-A550 WeakPolarHBondContact CB-O 3.36Å; M525-A550 PolarHBondContact N-O 2.75Å; M525-A550 PolarHBondContact O-N 3.18Å; M525-V574 HydrophobicContact CE-CG1 4.36Å; M525-V574 HydrophobicContact SD-CG1 3.88Å; M525-S593 CarbonylContact C-O 3.53Å; M525-S593 WeakPolarHBondContact CA-O 3.46Å; M525-F594 HydrophobicContact CE-CD1 4.18Å; M525-F624 HydrophobicContact SD-CE2 4.34Å; M525-F624 HydrophobicContact SD-CZ 4.06Å
526A92.9Very high92.2Very high38 Ų3837 Ų3731%0.31420%0.196SC..EExtended strand (participates in β ladder)trans-137.4108.3177.900000109.5V548 Y549 A592 S593A526-V548 WeakPolarHBondContact CA-O 3.43Å; A526-Y549 HydrophobicContact CB-CD2 4.43Å; A526-A592 CarbonylContact O-C 3.38Å; A526-S593 PolarHBondContact N-O 3.11Å; A526-S593 PolarHBondContact O-N 2.92Å
527I94.7Very high91.7Very high3 Ų338.5 Ų38.52%0.01521%0.208CC..EExtended strand (participates in β ladder)trans-123.2118.4-176.9-44.6171.9000108.5M525 A530 D547 V548 L577 A589 A592 F594M525-I527 HydrophobicContact CG-CD1 4.23Å; M525-I527 HydrophobicContact CG-CG1 4.27Å; I527-A530 HydrophobicContact CB-CB 4.24Å; I527-A530 HydrophobicContact CG2-CB 3.58Å; I527-D547 CarbonylContact O-C 3.58Å; I527-D547 VanDerWaalsContact O-CA 3.31Å; I527-D547 WeakPolarHBondContact O-CA 3.47Å; I527-V548 HydrophobicContact CB-CB 4Å; I527-V548 HydrophobicContact CB-CG2 4.27Å; I527-V548 HydrophobicContact CD1-CB 4.14Å; I527-V548 HydrophobicContact CD1-CG1 4.48Å; I527-V548 HydrophobicContact CD1-CG2 4.26Å; I527-V548 HydrophobicContact CG1-CB 4.2Å; I527-V548 PolarHBondContact N-O 3.46Å; I527-V548 PolarHBondContact O-N 3.32Å; I527-L577 HydrophobicContact CD1-CB 4.35Å; I527-L577 HydrophobicContact CD1-CD1 3.96Å; I527-L577 HydrophobicContact CG2-CD1 4.29Å; I527-A589 HydrophobicContact CG2-CB 3.54Å; I527-A592 HydrophobicContact CG1-CB 4.48Å; I527-A592 HydrophobicContact CG2-CB 4.01Å; I527-F594 HydrophobicContact CD1-CD1 4.23Å; I527-F594 HydrophobicContact CD1-CE1 3.36Å; I527-F594 HydrophobicContact CD1-CZ 3.57Å; I527-F594 HydrophobicContact CG1-CE1 4.12Å; I527-F594 HydrophobicContact CG1-CZ 4.06Å
528S93.1Very high91Very high36 Ų3642.5 Ų42.525%0.25223%0.226SC..EExtended strand (participates in β ladder)trans-94.5133.1175.8-176.70000110.6A530 D547 R590 I591S528-A530 VanDerWaalsContact C-N 3.28Å; S528-A530 PolarHBondContact O-N 3.06Å; S528-D547 WeakPolarHBondContact CA-OD1 3.42Å; S528-R590 PolarHBondContact O-N 3.21Å; S528-I591 PolarHBondContact N-O 2.92Å
529Q92.9Very high90.1Very high78 Ų7842 Ų4236%0.36423%0.228SC..EExtended strand (participates in β ladder)trans53.444.6177.9-59.2-69.7-64.600112.3P545 D547 R590Q529-P545 HydrophobicContact CB-CB 3.92Å; Q529-P545 HydrophobicContact CB-CG 4.4Å; Q529-P545 WeakPolarHBondContact O-CB 3.47Å; Q529-D547 PolarHBondContact N-OD1 3.45Å; Q529-D547 PolarHBondContact NE2-OD1 3.46Å; Q529-R590 HydrophobicContact CB-CB 4.03Å; Q529-R590 HydrophobicContact CG-CB 4.35Å
530A94.8Very high89.2Confident4 Ų446.4 Ų46.43%0.03325%0.247CC..EExtended strand (participates in β ladder)trans-61.4134.3-179.600000111I527 S528 P545 N546 V548 T573 L577I527-A530 HydrophobicContact CB-CB 4.24Å; I527-A530 HydrophobicContact CG2-CB 3.58Å; S528-A530 VanDerWaalsContact C-N 3.28Å; S528-A530 PolarHBondContact O-N 3.06Å; A530-P545 WeakPolarHBondContact O-CA 3.49Å; A530-N546 WeakPolarHBondContact CA-O 3.16Å; A530-N546 WeakPolarHBondContact CB-O 3.25Å; A530-N546 PolarHBondContact N-O 3.27Å; A530-N546 PolarHBondContact O-N 2.86Å; A530-N546 VanDerWaalsContact O-N 3.07Å; A530-V548 HydrophobicContact CB-CG2 4.04Å; A530-T573 HydrophobicContact CB-CG2 4.34Å; A530-L577 HydrophobicContact CB-CD1 3.77Å
531R94.4Very high88.5Confident63 Ų6346.8 Ų46.824%0.23826%0.258CS..  trans-119.7149.1177-58.5175172.8-110.4-7110.8P533 D536 K540 F543 P545 T573 P588R531-P533 WeakPolarHBondContact O-CD 3.41Å; R531-D536 HydrophobicContact CB-CB 4.25Å; R531-D536 WeakPolarHBondContact CD-OD1 3.46Å; R531-D536 IonicContact NH1-OD1 2.63Å; R531-K540 PolarHBondContact NH1-O 3.48Å; R531-K540 VanDerWaalsContact NH1-O 3.14Å; R531-F543 HydrophobicContact CB-CD1 4.01Å; R531-F543 HydrophobicContact CB-CE1 3.95Å; R531-F543 HydrophobicContact CG-CD1 4.02Å; R531-F543 HydrophobicContact CG-CE1 4.19Å; R531-P545 HydrophobicContact CG-CB 3.89Å; R531-T573 WeakPolarHBondContact O-CG2 3.44Å; R531-P588 HydrophobicContact CB-CB 4.16Å; R531-P588 PolarHBondContact N-O 2.96Å; R531-P588 WeakPolarHBondContact O-CG 3.35Å
532H92.4Very high88Confident9 Ų950.8 Ų50.84%0.04228%0.281CS..  trans-73.4121.6176.5-171.8-68.7000109.3L534 M535 D536 F543 T569 T573 M576H532-L534 VanDerWaalsContact C-N 3.34Å; H532-L534 PolarHBondContact ND1-N 2.67Å; H532-L534 PolarHBondContact O-N 3.11Å; H532-M535 HydrophobicContact CB-CB 4.09Å; H532-M535 HydrophobicContact CB-CG 4.05Å; H532-M535 PolarHBondContact O-N 3.1Å; H532-M535 VanDerWaalsContact O-N 3.07Å; H532-D536 WeakPolarHBondContact O-CB 3.39Å; H532-D536 PolarHBondContact O-N 3.45Å; H532-F543 HydrophobicContact CB-CE2 3.61Å; H532-F543 HydrophobicContact CB-CZ 3.65Å; H532-T569 HydrophobicContact CB-CG2 4.31Å; H532-T573 WeakPolarHBondContact CA-OG1 3.4Å; H532-T573 VanDerWaalsContact CB-OG1 3.28Å; H532-T573 WeakPolarHBondContact CB-OG1 3.16Å; H532-T573 PolarHBondContact CD2-OG1 2.88Å; H532-T573 VanDerWaalsContact CD2-OG1 3.32Å; H532-M576 PolarHBondContact CE1-SD 3.29Å
533P91.8Very high87.9Confident0 Ų049.8 Ų49.80%027%0.27CS..Hα-helixtrans-53.5-43.6-172.8-27.733.5000114.8L207 W516 R531 C537 M576 L577 L580 P588L207-P533 HydrophobicContact CD1-CB 3.98Å; L207-P533 HydrophobicContact CD1-CG 4.48Å; W516-P533 HydrophobicContact CH2-CB 4.31Å; W516-P533 HydrophobicContact CZ2-CB 4.29Å; R531-P533 WeakPolarHBondContact O-CD 3.41Å; P533-C537 PolarHBondContact O-N 3.34Å; P533-C537 PolarHBondContact O-SG 2.92Å; P533-M576 HydrophobicContact CG-CB 4.13Å; P533-M576 HydrophobicContact CG-SD 4.33Å; P533-L577 HydrophobicContact CG-CD2 4.12Å; P533-L580 HydrophobicContact CB-CD1 4.1Å; P533-L580 HydrophobicContact CG-CD1 3.58Å; P533-P588 HydrophobicContact CB-CG 4.23Å; P533-P588 HydrophobicContact CG-CG 3.87Å
534L88.4Confident88.2Confident9 Ų946.3 Ų46.35%0.04725%0.253CS..Hα-helixtrans-64.9-46.5177.4-53-177000112.6E192 S206 V210 H532 C537 I538 M576E192-L534 HydrophobicContact CB-CD1 4.48Å; S206-L534 VanDerWaalsContact C-CD2 3.43Å; S206-L534 WeakPolarHBondContact O-CD2 3.49Å; V210-L534 HydrophobicContact CB-CD2 4.05Å; V210-L534 HydrophobicContact CG2-CD2 3.48Å; V210-L534 VanDerWaalsContact CG2-CD2 3.48Å; H532-L534 VanDerWaalsContact C-N 3.34Å; H532-L534 PolarHBondContact ND1-N 2.67Å; H532-L534 PolarHBondContact O-N 3.11Å; L534-C537 PolarHBondContact O-N 3.33Å; L534-I538 WeakPolarHBondContact O-CG1 3.32Å; L534-I538 PolarHBondContact O-N 2.88Å; L534-M576 HydrophobicContact CD1-CE 3.9Å; L534-M576 HydrophobicContact CG-CE 4.19Å
535M86Confident88.4Confident80 Ų8046.8 Ų46.839%0.39426%0.256SS..Hα-helixtrans-72.1-32.7-176.9-58.9-61.1-65.300111.6H532 C537 I538 D539 F543H532-M535 HydrophobicContact CB-CB 4.09Å; H532-M535 HydrophobicContact CB-CG 4.05Å; H532-M535 PolarHBondContact O-N 3.1Å; H532-M535 VanDerWaalsContact O-N 3.07Å; M535-C537 PolarHBondContact O-N 2.7Å; M535-I538 PolarHBondContact O-N 2.66Å; M535-D539 CarbonylContact O-C 3.56Å; M535-D539 PolarHBondContact O-N 2.9Å; M535-F543 HydrophobicContact CB-CD2 3.48Å; M535-F543 VanDerWaalsContact CB-CD2 3.48Å; M535-F543 HydrophobicContact CB-CE2 3.89Å; M535-F543 HydrophobicContact CB-CG 4.31Å; M535-F543 HydrophobicContact CG-CD2 4.08Å; M535-F543 HydrophobicContact CG-CE2 4.12Å
536D85.7Confident88.5Confident6 Ų647.1 Ų47.13%0.03226%0.258CS..Hα-helixtrans-61.8-28.6174.8-169.160.5000111.9W516 R531 H532 K540W516-D536 PolarHBondContact NE1-OD2 3.03Å; R531-D536 HydrophobicContact CB-CB 4.25Å; R531-D536 WeakPolarHBondContact CD-OD1 3.46Å; R531-D536 IonicContact NH1-OD1 2.63Å; H532-D536 WeakPolarHBondContact O-CB 3.39Å; H532-D536 PolarHBondContact O-N 3.45Å; D536-K540 WeakPolarHBondContact O-CB 3.43Å
537C83.9Confident88.6Confident44 Ų4449.6 Ų49.630%0.29727%0.266SS..Hα-helixtrans-85.4-33.5176.9-62.20000113.4V210 R510 P533 L534 M535V210-C537 HydrophobicContact CG1-CB 4.25Å; V210-C537 WeakPolarHBondContact CG1-SG 3.39Å; R510-C537 PolarHBondContact NH1-SG 3.3Å; P533-C537 PolarHBondContact O-N 3.34Å; P533-C537 PolarHBondContact O-SG 2.92Å; L534-C537 PolarHBondContact O-N 3.33Å; M535-C537 PolarHBondContact O-N 2.7Å
538I80.7Confident88.5Confident122 Ų12249.7 Ų49.763%0.62627%0.267SS*.Hα-helixtrans-86-46.1-176.4-62.5167.5000111.6L534 M535L534-I538 WeakPolarHBondContact O-CG1 3.32Å; L534-I538 PolarHBondContact O-N 2.88Å; M535-I538 PolarHBondContact O-N 2.66Å
539D78.9Confident88.4Confident52 Ų5251.1 Ų51.128%0.27827%0.267SS..  trans-145.275.7-176-171.2-6.1000111.3M535 S541 N542 F543M535-D539 CarbonylContact O-C 3.56Å; M535-D539 PolarHBondContact O-N 2.9Å; D539-S541 PolarHBondContact O-N 2.68Å; D539-S541 PolarHBondContact OD1-N 3.07Å; D539-S541 PolarHBondContact OD1-OG 2.85Å; D539-N542 PolarHBondContact OD1-N 3.03Å; D539-N542 VanDerWaalsContact OD1-N 3.12Å; D539-N542 PolarHBondContact OD1-ND2 3.46Å; D539-N542 WeakPolarHBondContact OD2-CB 3.44Å; D539-N542 PolarHBondContact OD2-ND2 3.13Å; D539-F543 PolarHBondContact O-N 2.85Å
540K77.5Confident88.3Confident93 Ų9347.4 Ų47.440%0.40425%0.25SC..THydrogen-bonded Turntrans-61.7-30.4-180-164.4168-167169.70113.3S514 R531 D536S514-K540 PolarHBondContact O-NZ 3.33Å; R531-K540 PolarHBondContact NH1-O 3.48Å; R531-K540 VanDerWaalsContact NH1-O 3.14Å; D536-K540 WeakPolarHBondContact O-CB 3.43Å
541S79.2Confident87.8Confident105 Ų10547.2 Ų47.273%0.73425%0.248SC*.THydrogen-bonded Turntrans-73-40.5-17531.10000113.6D539D539-S541 PolarHBondContact O-N 2.68Å; D539-S541 PolarHBondContact OD1-N 3.07Å; D539-S541 PolarHBondContact OD1-OG 2.85Å
542N83.5Confident87.1Confident123 Ų12345.9 Ų45.966%0.65825%0.248SC*.THydrogen-bonded Turntrans-96-10-173.5-63.4-38.1000113.7D539 V544D539-N542 PolarHBondContact OD1-N 3.03Å; D539-N542 VanDerWaalsContact OD1-N 3.12Å; D539-N542 PolarHBondContact OD1-ND2 3.46Å; D539-N542 WeakPolarHBondContact OD2-CB 3.44Å; D539-N542 PolarHBondContact OD2-ND2 3.13Å; N542-V544 PolarHBondContact O-N 2.95Å
543F88.8Confident86.4Confident35 Ų3546.3 Ų46.315%0.15425%0.251CS..  trans-74.6123.9179.7-169.7-85.7000111.9R531 H532 M535 D539 P545 T569R531-F543 HydrophobicContact CB-CD1 4.01Å; R531-F543 HydrophobicContact CB-CE1 3.95Å; R531-F543 HydrophobicContact CG-CD1 4.02Å; R531-F543 HydrophobicContact CG-CE1 4.19Å; H532-F543 HydrophobicContact CB-CE2 3.61Å; H532-F543 HydrophobicContact CB-CZ 3.65Å; M535-F543 HydrophobicContact CB-CD2 3.48Å; M535-F543 VanDerWaalsContact CB-CD2 3.48Å; M535-F543 HydrophobicContact CB-CE2 3.89Å; M535-F543 HydrophobicContact CB-CG 4.31Å; M535-F543 HydrophobicContact CG-CD2 4.08Å; M535-F543 HydrophobicContact CG-CE2 4.12Å; D539-F543 PolarHBondContact O-N 2.85Å; F543-P545 VanDerWaalsContact O-CD 3.27Å; F543-P545 WeakPolarHBondContact O-CD 3.34Å; F543-T569 HydrophobicContact CE2-CG2 4.14Å
544V91.8Very high86.1Confident51 Ų5146.3 Ų46.331%0.30925%0.251SS..  trans-87.4111.2176.5-178.50000110N542 N546 H662N542-V544 PolarHBondContact O-N 2.95Å; V544-N546 PolarHBondContact O-ND2 3.38Å; V544-H662 HydrophobicContact CB-CB 4.06Å; V544-H662 HydrophobicContact CG2-CB 4.25Å
545P93.6Very high85.9Confident23 Ų2349 Ų4915%0.14926%0.26CS..  trans-68.5147.3177.229.1-36.3000112.1Q529 A530 R531 F543Q529-P545 HydrophobicContact CB-CB 3.92Å; Q529-P545 HydrophobicContact CB-CG 4.4Å; Q529-P545 WeakPolarHBondContact O-CB 3.47Å; A530-P545 WeakPolarHBondContact O-CA 3.49Å; R531-P545 HydrophobicContact CG-CB 3.89Å; F543-P545 VanDerWaalsContact O-CD 3.27Å; F543-P545 WeakPolarHBondContact O-CD 3.34Å
546N94.4Very high86.1Confident16 Ų1647.7 Ų47.79%0.08625%0.252CS..EExtended strand (participates in β ladder)trans-131.6149.1-180-74.9-74.5000111.5A530 V544 Y570 H662 K663 L664A530-N546 WeakPolarHBondContact CA-O 3.16Å; A530-N546 WeakPolarHBondContact CB-O 3.25Å; A530-N546 PolarHBondContact N-O 3.27Å; A530-N546 PolarHBondContact O-N 2.86Å; A530-N546 VanDerWaalsContact O-N 3.07Å; V544-N546 PolarHBondContact O-ND2 3.38Å; N546-Y570 HydrophobicContact CB-CD2 3.98Å; N546-Y570 HydrophobicContact CB-CE2 3.84Å; N546-H662 PolarHBondContact ND2-O 3.4Å; N546-H662 PolarHBondContact OD1-O 2.92Å; N546-K663 WeakPolarHBondContact OD1-CA 3.38Å; N546-L664 HydrophobicContact CB-CB 4.47Å; N546-L664 WeakPolarHBondContact OD1-CB 2.88Å; N546-L664 PolarHBondContact OD1-N 3.15Å
547D93.4Very high86.3Confident89 Ų8947.5 Ų47.548%0.47625%0.251SS..EExtended strand (participates in β ladder)trans-82.9151.4176.5-60.2-27.8000110.9I527 S528 Q529 Y570I527-D547 CarbonylContact O-C 3.58Å; I527-D547 VanDerWaalsContact O-CA 3.31Å; I527-D547 WeakPolarHBondContact O-CA 3.47Å; S528-D547 WeakPolarHBondContact CA-OD1 3.42Å; Q529-D547 PolarHBondContact N-OD1 3.45Å; Q529-D547 PolarHBondContact NE2-OD1 3.46Å; D547-Y570 PolarHBondContact O-OH 3.41Å
548V93.5Very high86.7Confident5 Ų545.4 Ų45.43%0.0324%0.237CC..EExtended strand (participates in β ladder)trans-127.9129.2175.9-172.60000108.2M525 A526 I527 A530 Y570 V574 F624M525-V548 HydrophobicContact CG-CG1 4.35Å; M525-V548 HydrophobicContact SD-CG1 3.89Å; A526-V548 WeakPolarHBondContact CA-O 3.43Å; I527-V548 HydrophobicContact CB-CB 4Å; I527-V548 HydrophobicContact CB-CG2 4.27Å; I527-V548 HydrophobicContact CD1-CB 4.14Å; I527-V548 HydrophobicContact CD1-CG1 4.48Å; I527-V548 HydrophobicContact CD1-CG2 4.26Å; I527-V548 HydrophobicContact CG1-CB 4.2Å; I527-V548 PolarHBondContact N-O 3.46Å; I527-V548 PolarHBondContact O-N 3.32Å; A530-V548 HydrophobicContact CB-CG2 4.04Å; V548-Y570 HydrophobicContact CG2-CE2 4.12Å; V548-V574 HydrophobicContact CG1-CG1 4.41Å; V548-V574 HydrophobicContact CG1-CG2 3.85Å; V548-V574 HydrophobicContact CG2-CG2 3.82Å; V548-F624 HydrophobicContact CG1-CE1 4Å; V548-F624 HydrophobicContact CG1-CZ 3.93Å
549Y91.3Very high87.2Confident66 Ų6639.6 Ų39.626%0.25921%0.207SC..EExtended strand (participates in β ladder)trans-136.6124.8173.3-177.1-93.6000109.3T524 M525 A526 D553T524-Y549 HydrophobicContact CG2-CD2 4.39Å; T524-Y549 HydrophobicContact CG2-CE2 3.81Å; M525-Y549 CarbonylContact O-C 3.51Å; M525-Y549 WeakPolarHBondContact O-CA 3.37Å; A526-Y549 HydrophobicContact CB-CD2 4.43Å; Y549-D553 VanDerWaalsContact OH-CG 3.27Å; Y549-D553 PolarHBondContact OH-OD1 3.08Å; Y549-D553 PolarHBondContact OH-OD2 2.87Å
550A89.7Confident87.7Confident0 Ų037.1 Ų37.10%019%0.194CC..EExtended strand (participates in β ladder)trans-151.6129.2172.800000108.9T524 M525 S554 I557 L622 F624T524-A550 WeakPolarHBondContact CG2-O 3.32Å; M525-A550 WeakPolarHBondContact CA-O 3.36Å; M525-A550 HydrophobicContact CB-CB 4.25Å; M525-A550 WeakPolarHBondContact CB-O 3.36Å; M525-A550 PolarHBondContact N-O 2.75Å; M525-A550 PolarHBondContact O-N 3.18Å; A550-S554 CarbonylContact C-O 3.48Å; A550-S554 WeakPolarHBondContact CA-O 3.37Å; A550-I557 HydrophobicContact CB-CD1 3.59Å; A550-L622 HydrophobicContact CB-CD1 4.2Å; A550-L622 HydrophobicContact CB-CD2 4.2Å; A550-F624 HydrophobicContact CB-CE2 4.22Å; A550-F624 HydrophobicContact CB-CZ 3.75Å
551G85.8Confident88Confident0 Ų032.8 Ų32.80%018%0.176CC..BIsolated β-bridgetrans-157.5-176.4-172.300000112.5D553 S554 R555G551-D553 PolarHBondContact O-N 2.98Å; G551-D553 VanDerWaalsContact O-N 3.11Å; G551-S554 PolarHBondContact N-O 3.43Å; G551-S554 CarbonylContact O-C 3.6Å; G551-S554 PolarHBondContact O-N 3.15Å; G551-R555 VanDerWaalsContact O-CG 3.29Å; G551-R555 WeakPolarHBondContact O-CG 3.28Å
552P79.5Confident88Confident36 Ų3628 Ų2823%0.23414%0.142CC..THydrogen-bonded Turntrans-55.6-27.4176-26.835.5000113.9R555 Y641P552-R555 PolarHBondContact O-NE 2.93Å; P552-Y641 WeakPolarHBondContact O-CD1 3.48Å
553D77.1Confident87.9Confident18 Ų1827.1 Ų27.110%0.09614%0.138CC..THydrogen-bonded Turntrans-88.6-18.3176.563.9-29.2000114.3Y549 G551 H725Y549-D553 VanDerWaalsContact OH-CG 3.27Å; Y549-D553 PolarHBondContact OH-OD1 3.08Å; Y549-D553 PolarHBondContact OH-OD2 2.87Å; G551-D553 PolarHBondContact O-N 2.98Å; G551-D553 VanDerWaalsContact O-N 3.11Å; D553-H725 HydrophobicContact CB-CB 3.85Å; D553-H725 IonicContact OD1-CD2 2.93Å; D553-H725 PolarHBondContact OD1-CD2 3.04Å; D553-H725 VanDerWaalsContact OD1-CD2 3.32Å; D553-H725 IonicContact OD1-NE2 2.76Å; D553-H725 IonicContact OD2-CD2 3.37Å; D553-H725 PolarHBondContact OD2-CD2 3.33Å
554S84.9Confident87.4Confident0 Ų033.6 Ų33.60%017%0.17CC..BIsolated β-bridgetrans-139.988.4-178.6-171.60000110A550 G551 D643A550-S554 CarbonylContact C-O 3.48Å; A550-S554 WeakPolarHBondContact CA-O 3.37Å; G551-S554 PolarHBondContact N-O 3.43Å; G551-S554 CarbonylContact O-C 3.6Å; G551-S554 PolarHBondContact O-N 3.15Å; S554-D643 WeakPolarHBondContact CB-OD2 3.28Å; S554-D643 PolarHBondContact OG-OD2 3.48Å
555R85.1Confident87Confident64 Ų6431.1 Ų31.124%0.24216%0.156CC..  trans-100.3-21-174.5-64.2-172.3-176-150.5-9.4113.2G551 P552 V619 L622 V623 Y641G551-R555 VanDerWaalsContact O-CG 3.29Å; G551-R555 WeakPolarHBondContact O-CG 3.28Å; P552-R555 PolarHBondContact O-NE 2.93Å; R555-V619 PolarHBondContact NH1-O 3.21Å; R555-L622 HydrophobicContact CB-CD2 4.28Å; R555-L622 HydrophobicContact CG-CD2 4.13Å; R555-V623 PolarHBondContact O-N 3.44Å; R555-Y641 PolarHBondContact N-O 3.37Å
556F89Confident86.7Confident54 Ų5430.8 Ų30.824%0.23716%0.156CC..EExtended strand (participates in β ladder)trans-127.198.8-174.3-161.3-77000110.1I558 V623 L625 Y641 V642 D643F556-I558 HydrophobicContact CD1-CD1 4.15Å; F556-I558 HydrophobicContact CD1-CG1 3.71Å; F556-I558 HydrophobicContact CE1-CD1 3.98Å; F556-I558 HydrophobicContact CE1-CG1 3.67Å; F556-V623 CarbonylContact C-O 3.58Å; F556-V623 WeakPolarHBondContact CA-O 3.44Å; F556-V623 HydrophobicContact CD2-CB 3.68Å; F556-V623 HydrophobicContact CD2-CG1 3.85Å; F556-V623 HydrophobicContact CD2-CG2 4.15Å; F556-V623 HydrophobicContact CE2-CB 3.95Å; F556-V623 HydrophobicContact CE2-CG1 3.58Å; F556-V623 HydrophobicContact CE2-CG2 4.39Å; F556-V623 HydrophobicContact CG-CB 4.34Å; F556-V623 HydrophobicContact CZ-CG1 4.13Å; F556-L625 HydrophobicContact CE1-CB 4.03Å; F556-L625 HydrophobicContact CE1-CD2 3.84Å; F556-L625 HydrophobicContact CZ-CB 4.21Å; F556-L625 HydrophobicContact CZ-CD2 3.88Å; F556-Y641 PolarHBondContact N-O 3.48Å; F556-V642 HydrophobicContact CB-CB 4.47Å; F556-V642 HydrophobicContact CB-CG2 3.89Å; F556-V642 HydrophobicContact CD1-CG1 4.19Å; F556-V642 HydrophobicContact CD1-CG2 4.15Å; F556-V642 HydrophobicContact CG-CG2 4.2Å; F556-V642 CarbonylContact O-C 3.56Å; F556-V642 WeakPolarHBondContact O-CA 3.48Å; F556-D643 PolarHBondContact O-N 2.8Å
557I91.6Very high86.4Confident1 Ų130.6 Ų30.61%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-97.2113.1-174.7-58.290000108.6A550 I559 V623 F624 L625 D643 Y645A550-I557 HydrophobicContact CB-CD1 3.59Å; I557-I559 HydrophobicContact CG2-CD1 4.31Å; I557-I559 HydrophobicContact CG2-CG1 3.97Å; I557-V623 PolarHBondContact N-O 3.34Å; I557-F624 HydrophobicContact CB-CD1 3.79Å; I557-F624 HydrophobicContact CB-CE1 4.08Å; I557-F624 HydrophobicContact CB-CG 4.41Å; I557-F624 HydrophobicContact CD1-CD1 4.16Å; I557-F624 HydrophobicContact CD1-CD2 4.48Å; I557-F624 HydrophobicContact CD1-CE1 3.88Å; I557-F624 HydrophobicContact CD1-CE2 4.21Å; I557-F624 HydrophobicContact CD1-CG 4.46Å; I557-F624 HydrophobicContact CD1-CZ 3.91Å; I557-F624 HydrophobicContact CG1-CD1 4.22Å; I557-F624 HydrophobicContact CG1-CE1 4.02Å; I557-F624 HydrophobicContact CG2-CD1 4.03Å; I557-F624 HydrophobicContact CG2-CE1 4.27Å; I557-F624 CarbonylContact O-C 3.44Å; I557-F624 WeakPolarHBondContact O-CA 3.01Å; I557-L625 PolarHBondContact O-N 3.43Å; I557-D643 CarbonylContact C-O 3.57Å; I557-D643 WeakPolarHBondContact CA-O 3.33Å; I557-Y645 HydrophobicContact CG2-CD2 3.64Å; I557-Y645 HydrophobicContact CG2-CE2 3.9Å
558I91.4Very high86Confident0 Ų029.4 Ų29.40%015%0.153CC..EExtended strand (participates in β ladder)trans-95.2124.1176.4-56.9-178.4000108.8F556 L625 T627 L632 L635 V642 D643 S644 Y645F556-I558 HydrophobicContact CD1-CD1 4.15Å; F556-I558 HydrophobicContact CD1-CG1 3.71Å; F556-I558 HydrophobicContact CE1-CD1 3.98Å; F556-I558 HydrophobicContact CE1-CG1 3.67Å; I558-L625 CarbonylContact C-O 3.54Å; I558-L625 WeakPolarHBondContact CA-O 3.25Å; I558-T627 HydrophobicContact CG2-CG2 3.72Å; I558-L632 WeakPolarHBondContact CD1-O 3.41Å; I558-L635 HydrophobicContact CD1-CB 3.9Å; I558-L635 HydrophobicContact CD1-CD1 3.97Å; I558-L635 HydrophobicContact CD1-CG 4.47Å; I558-V642 HydrophobicContact CD1-CG1 3.54Å; I558-V642 HydrophobicContact CG1-CG1 3.93Å; I558-D643 PolarHBondContact N-O 3.28Å; I558-S644 CarbonylContact O-C 3.55Å; I558-S644 WeakPolarHBondContact O-CA 3.38Å; I558-Y645 PolarHBondContact O-N 2.98Å
559I91Very high85.8Confident0 Ų031.9 Ų31.90%017%0.169CC..EExtended strand (participates in β ladder)trans-118.2116.5-177.3-57.8174.2000108.9I557 K567 Y570 F624 L625 V626 T627 F647 L664I557-I559 HydrophobicContact CG2-CD1 4.31Å; I557-I559 HydrophobicContact CG2-CG1 3.97Å; I559-K567 HydrophobicContact CG2-CG 4.42Å; I559-Y570 HydrophobicContact CD1-CD1 3.38Å; I559-Y570 HydrophobicContact CD1-CE1 3.33Å; I559-Y570 HydrophobicContact CD1-CG 4.5Å; I559-F624 HydrophobicContact CD1-CD1 4.31Å; I559-L625 PolarHBondContact N-O 3Å; I559-V626 HydrophobicContact CB-CG2 3.92Å; I559-V626 HydrophobicContact CD1-CG2 4.43Å; I559-V626 HydrophobicContact CG2-CG2 4.17Å; I559-V626 WeakPolarHBondContact O-CA 3.41Å; I559-T627 PolarHBondContact O-N 3.38Å; I559-F647 HydrophobicContact CG2-CD2 4.04Å; I559-F647 HydrophobicContact CG2-CE2 3.72Å; I559-L664 HydrophobicContact CG2-CD1 3.96Å
560S88.8Confident85.8Confident0 Ų029.4 Ų29.40%016%0.159CC..EExtended strand (participates in β ladder)trans-112.3165.2179.9630000112.4T627 Y645 H646 F647S560-T627 WeakPolarHBondContact CA-O 3.46Å; S560-Y645 PolarHBondContact N-O 3.24Å; S560-Y645 PolarHBondContact OG-O 3.29Å; S560-Y645 VanDerWaalsContact OG-O 3.08Å; S560-H646 CarbonylContact O-C 3.58Å; S560-H646 VanDerWaalsContact O-CA 3.23Å; S560-H646 WeakPolarHBondContact O-CA 3.42Å; S560-H646 VanDerWaalsContact OG-CB 3.27Å; S560-H646 WeakPolarHBondContact OG-CB 3.45Å; S560-F647 PolarHBondContact O-N 2.85Å
561G84Confident85.8Confident2 Ų231.4 Ų31.42%0.02117%0.169CC..  trans145.8168174.400000114.3K567G561-K567 WeakPolarHBondContact O-CD 3.47Å; G561-K567 WeakPolarHBondContact O-CE 3.42Å; G561-K567 PolarHBondContact O-NZ 2.96Å
562P80.1Confident85.9Confident5 Ų532.8 Ų32.83%0.03218%0.175CC..  trans-64.6165.5-175.717-21.1000112.8S565 K567 A649 L658 T660 Y674P562-S565 WeakPolarHBondContact O-CB 3.47Å; P562-S565 PolarHBondContact O-N 2.86Å; P562-S565 PolarHBondContact O-OG 3.32Å; P562-K567 PolarHBondContact O-NZ 2.89Å; P562-A649 HydrophobicContact CG-CB 3.45Å; P562-A649 VanDerWaalsContact CG-CB 3.45Å; P562-L658 HydrophobicContact CB-CD2 3.75Å; P562-L658 HydrophobicContact CG-CD2 3.97Å; P562-T660 HydrophobicContact CG-CG2 4.49Å; P562-Y674 HydrophobicContact CB-CD2 3.98Å; P562-Y674 HydrophobicContact CB-CE2 3.56Å; P562-Y674 WeakPolarHBondContact CD-OH 3.35Å; P562-Y674 HydrophobicContact CG-CE1 4.22Å; P562-Y674 HydrophobicContact CG-CE2 4.13Å
563N80.2Confident86.5Confident105 Ų10531.3 Ų31.356%0.56117%0.166SC*.THydrogen-bonded Turntrans-58.2148.9167.7-78.6-23.2000110.7S565 H628N563-S565 PolarHBondContact O-N 3.48Å; N563-H628 PolarHBondContact OD1-CE1 3.35Å; N563-H628 PolarHBondContact OD1-NE2 3.34Å; N563-H628 VanDerWaalsContact OD1-NE2 3.15Å
564M79.4Confident87.2Confident170 Ų17030.9 Ų30.984%0.83716%0.164SC*.THydrogen-bonded Turntrans61.45.1-175.9-56.6112.986.700116.6G566 H662M564-G566 PolarHBondContact O-N 2.87Å; M564-H662 PolarHBondContact O-CE1 3.1Å; M564-H662 VanDerWaalsContact O-CE1 3.31Å
565S84.1Confident87.4Confident0 Ų031.3 Ų31.30%017%0.168CC..SBendtrans-68.4-15175.856.90000115.2P562 N563 F647 H662P562-S565 WeakPolarHBondContact O-CB 3.47Å; P562-S565 PolarHBondContact O-N 2.86Å; P562-S565 PolarHBondContact O-OG 3.32Å; N563-S565 PolarHBondContact O-N 3.48Å; S565-F647 WeakPolarHBondContact O-CD1 3.42Å; S565-H662 PolarHBondContact O-ND1 2.9Å
566G86.1Confident87.8Confident16 Ų1628.3 Ų28.317%0.16516%0.157CC..SBendtrans1115179.500000115.2M564 S568 T569 Y570M564-G566 PolarHBondContact O-N 2.87Å; G566-S568 PolarHBondContact O-N 2.66Å; G566-T569 WeakPolarHBondContact O-CB 3.42Å; G566-T569 PolarHBondContact O-N 3.14Å; G566-T569 VanDerWaalsContact O-N 3.12Å; G566-Y570 PolarHBondContact O-N 3.15Å
567K87.9Confident88Confident11 Ų1125.7 Ų25.75%0.04815%0.146CC..Hα-helixtrans-51.3-51.4-179-56-172.2-54.7-720114.2I559 G561 P562 T569 Y570 L571 V626 H628 F647I559-K567 HydrophobicContact CG2-CG 4.42Å; G561-K567 WeakPolarHBondContact O-CD 3.47Å; G561-K567 WeakPolarHBondContact O-CE 3.42Å; G561-K567 PolarHBondContact O-NZ 2.96Å; P562-K567 PolarHBondContact O-NZ 2.89Å; K567-T569 VanDerWaalsContact C-N 3.34Å; K567-Y570 PolarHBondContact O-N 3.4Å; K567-L571 PolarHBondContact O-N 2.84Å; K567-L571 VanDerWaalsContact O-N 3.14Å; K567-V626 HydrophobicContact CB-CB 4.5Å; K567-V626 HydrophobicContact CB-CG1 3.6Å; K567-V626 HydrophobicContact CB-CG2 4Å; K567-V626 HydrophobicContact CD-CG1 3.78Å; K567-V626 HydrophobicContact CG-CG1 4.25Å; K567-H628 PolarHBondContact NZ-CE1 3.39Å; K567-H628 PolarHBondContact NZ-NE2 3.22Å; K567-F647 HydrophobicContact CB-CE2 4.29Å; K567-F647 HydrophobicContact CG-CD2 3.64Å; K567-F647 HydrophobicContact CG-CE2 3.9Å
568S85Confident88.1Confident65 Ų6526 Ų2646%0.45515%0.147SC..Hα-helixtrans-65.8-39.6179.7-49.70000111.5G566 Y570 L571 K572G566-S568 PolarHBondContact O-N 2.66Å; S568-Y570 VanDerWaalsContact C-N 3.31Å; S568-Y570 PolarHBondContact O-N 2.89Å; S568-L571 PolarHBondContact O-N 2.85Å; S568-K572 WeakPolarHBondContact O-CG 3.5Å; S568-K572 PolarHBondContact O-N 3.29Å
569T89Confident88.1Confident57 Ų5726 Ų2635%0.3515%0.147SC..Hα-helixtrans-60.8-41.8175.5-48.70000111H532 F543 G566 K567 K572 T573H532-T569 HydrophobicContact CB-CG2 4.31Å; F543-T569 HydrophobicContact CE2-CG2 4.14Å; G566-T569 WeakPolarHBondContact O-CB 3.42Å; G566-T569 PolarHBondContact O-N 3.14Å; G566-T569 VanDerWaalsContact O-N 3.12Å; K567-T569 VanDerWaalsContact C-N 3.34Å; T569-K572 PolarHBondContact O-N 3.2Å; T569-T573 PolarHBondContact O-N 3.36Å; T569-T573 PolarHBondContact O-OG1 3.18Å
570Y91.8Very high88.2Confident13 Ų1326 Ų265%0.05115%0.147CC..Hα-helixtrans-62.3-46.9177.1-177.1-87.6000112.5N546 D547 V548 I559 G566 K567 S568 K572 T573 V574 F624 F647 L664N546-Y570 HydrophobicContact CB-CD2 3.98Å; N546-Y570 HydrophobicContact CB-CE2 3.84Å; D547-Y570 PolarHBondContact O-OH 3.41Å; V548-Y570 HydrophobicContact CG2-CE2 4.12Å; I559-Y570 HydrophobicContact CD1-CD1 3.38Å; I559-Y570 HydrophobicContact CD1-CE1 3.33Å; I559-Y570 HydrophobicContact CD1-CG 4.5Å; G566-Y570 PolarHBondContact O-N 3.15Å; K567-Y570 PolarHBondContact O-N 3.4Å; S568-Y570 VanDerWaalsContact C-N 3.31Å; S568-Y570 PolarHBondContact O-N 2.89Å; Y570-K572 VanDerWaalsContact C-N 3.34Å; Y570-K572 PolarHBondContact O-N 3.43Å; Y570-T573 WeakPolarHBondContact O-CB 3.35Å; Y570-T573 PolarHBondContact O-N 3.34Å; Y570-V574 HydrophobicContact CD1-CG2 4.21Å; Y570-V574 HydrophobicContact CE1-CG2 3.85Å; Y570-V574 WeakPolarHBondContact O-CG2 3.47Å; Y570-V574 PolarHBondContact O-N 3.15Å; Y570-F624 HydrophobicContact CE1-CD1 4.4Å; Y570-F624 HydrophobicContact CE1-CE1 4.49Å; Y570-F647 HydrophobicContact CD2-CZ 4.23Å; Y570-F647 HydrophobicContact CG-CZ 4.16Å; Y570-L664 HydrophobicContact CD2-CD2 4.32Å; Y570-L664 HydrophobicContact CE1-CD2 4.24Å; Y570-L664 HydrophobicContact CE2-CD2 3.62Å
571L89.6Confident88.5Confident43 Ų4326 Ų2623%0.22515%0.147CC..Hα-helixtrans-59.2-45175-77.2-179.5000112.1K567 S568 T573 V574 G575 F624 V626K567-L571 PolarHBondContact O-N 2.84Å; K567-L571 VanDerWaalsContact O-N 3.14Å; S568-L571 PolarHBondContact O-N 2.85Å; L571-T573 VanDerWaalsContact C-N 3.32Å; L571-T573 PolarHBondContact O-N 3.05Å; L571-V574 PolarHBondContact O-N 3.04Å; L571-G575 PolarHBondContact O-N 3.07Å; L571-G575 VanDerWaalsContact O-N 3.08Å; L571-F624 HydrophobicContact CD2-CB 3.35Å; L571-F624 HydrophobicContact CD2-CG 4.32Å; L571-V626 HydrophobicContact CD1-CB 3.76Å; L571-V626 HydrophobicContact CD1-CG2 3.31Å; L571-V626 HydrophobicContact CD2-CG2 4.12Å; L571-V626 HydrophobicContact CG-CB 4.48Å; L571-V626 HydrophobicContact CG-CG2 3.5Å
572K87.8Confident88.9Confident28 Ų2826 Ų2612%0.12215%0.146CC..Hα-helixtrans-60.2-43.3176.3-70.8-169-174.6-150.10111.3H190 L191 E192 S568 T569 Y570 G575 M576H190-K572 WeakPolarHBondContact O-CE 3.29Å; H190-K572 PolarHBondContact O-NZ 2.83Å; L191-K572 HydrophobicContact CD2-CB 4.33Å; L191-K572 HydrophobicContact CD2-CG 4.31Å; E192-K572 IonicContact OE1-NZ 3.7Å; E192-K572 PolarHBondContact OE1-NZ 3.1Å; S568-K572 WeakPolarHBondContact O-CG 3.5Å; S568-K572 PolarHBondContact O-N 3.29Å; T569-K572 PolarHBondContact O-N 3.2Å; Y570-K572 VanDerWaalsContact C-N 3.34Å; Y570-K572 PolarHBondContact O-N 3.43Å; K572-G575 PolarHBondContact O-N 2.87Å; K572-M576 WeakPolarHBondContact O-CB 3.3Å; K572-M576 VanDerWaalsContact O-CG 3.28Å; K572-M576 WeakPolarHBondContact O-CG 3.24Å; K572-M576 PolarHBondContact O-N 3.25Å
573T92.3Very high89.4Confident6 Ų625.7 Ų25.74%0.03715%0.145CC..Hα-helixtrans-56.4-52.6175.5-59.60000111A530 R531 H532 T569 Y570 L571 G575 M576 L577A530-T573 HydrophobicContact CB-CG2 4.34Å; R531-T573 WeakPolarHBondContact O-CG2 3.44Å; H532-T573 WeakPolarHBondContact CA-OG1 3.4Å; H532-T573 VanDerWaalsContact CB-OG1 3.28Å; H532-T573 WeakPolarHBondContact CB-OG1 3.16Å; H532-T573 PolarHBondContact CD2-OG1 2.88Å; H532-T573 VanDerWaalsContact CD2-OG1 3.32Å; T569-T573 PolarHBondContact O-N 3.36Å; T569-T573 PolarHBondContact O-OG1 3.18Å; Y570-T573 WeakPolarHBondContact O-CB 3.35Å; Y570-T573 PolarHBondContact O-N 3.34Å; L571-T573 VanDerWaalsContact C-N 3.32Å; L571-T573 PolarHBondContact O-N 3.05Å; T573-G575 VanDerWaalsContact C-N 3.34Å; T573-G575 PolarHBondContact O-N 3.34Å; T573-M576 PolarHBondContact O-N 3.42Å; T573-L577 HydrophobicContact CG2-CD1 3.6Å; T573-L577 HydrophobicContact CG2-CG 4.05Å; T573-L577 WeakPolarHBondContact O-CB 3.44Å; T573-L577 WeakPolarHBondContact O-CG 3.4Å; T573-L577 PolarHBondContact O-N 3.25Å
574V92.5Very high90Very high9 Ų920.7 Ų20.76%0.05512%0.118CC..Hα-helixtrans-57.3-47.9-179.7176.50000111.2M525 V548 Y570 L571 L577 Q578 F624M525-V574 HydrophobicContact CE-CG1 4.36Å; M525-V574 HydrophobicContact SD-CG1 3.88Å; V548-V574 HydrophobicContact CG1-CG1 4.41Å; V548-V574 HydrophobicContact CG1-CG2 3.85Å; V548-V574 HydrophobicContact CG2-CG2 3.82Å; Y570-V574 HydrophobicContact CD1-CG2 4.21Å; Y570-V574 HydrophobicContact CE1-CG2 3.85Å; Y570-V574 WeakPolarHBondContact O-CG2 3.47Å; Y570-V574 PolarHBondContact O-N 3.15Å; L571-V574 PolarHBondContact O-N 3.04Å; V574-L577 PolarHBondContact O-N 2.98Å; V574-Q578 PolarHBondContact O-N 3.37Å; V574-Q578 VanDerWaalsContact O-N 3.1Å; V574-F624 HydrophobicContact CG1-CD2 4.29Å; V574-F624 HydrophobicContact CG1-CE1 4.33Å; V574-F624 HydrophobicContact CG1-CE2 3.8Å; V574-F624 HydrophobicContact CG1-CZ 3.82Å; V574-F624 HydrophobicContact CG2-CE1 4.33Å
575G89.8Confident90.8Very high9 Ų912.6 Ų12.69%0.0938%0.078CC..Hα-helixtrans-62.3-46.7178.900000113.2L571 K572 T573 Q578 L579L571-G575 PolarHBondContact O-N 3.07Å; L571-G575 VanDerWaalsContact O-N 3.08Å; K572-G575 PolarHBondContact O-N 2.87Å; T573-G575 VanDerWaalsContact C-N 3.34Å; T573-G575 PolarHBondContact O-N 3.34Å; G575-Q578 PolarHBondContact O-N 2.92Å; G575-L579 WeakPolarHBondContact O-CG 3.4Å; G575-L579 PolarHBondContact O-N 3.42Å; G575-L579 VanDerWaalsContact O-N 3.17Å
576M91.6Very high91.4Very high0 Ų013.2 Ų13.20%08%0.08CC..Hα-helixtrans-64.8-40.7178.7-73.2176.8172.800112.7L191 H532 P533 L534 K572 T573 Q578 L579 L580L191-M576 WeakPolarHBondContact O-CE 3.3Å; H532-M576 PolarHBondContact CE1-SD 3.29Å; P533-M576 HydrophobicContact CG-CB 4.13Å; P533-M576 HydrophobicContact CG-SD 4.33Å; L534-M576 HydrophobicContact CD1-CE 3.9Å; L534-M576 HydrophobicContact CG-CE 4.19Å; K572-M576 WeakPolarHBondContact O-CB 3.3Å; K572-M576 VanDerWaalsContact O-CG 3.28Å; K572-M576 WeakPolarHBondContact O-CG 3.24Å; K572-M576 PolarHBondContact O-N 3.25Å; T573-M576 PolarHBondContact O-N 3.42Å; M576-Q578 VanDerWaalsContact C-N 3.35Å; M576-L579 PolarHBondContact O-N 2.98Å; M576-L580 WeakPolarHBondContact O-CG 3.46Å; M576-L580 PolarHBondContact O-N 3.42Å
577L94.6Very high91.9Very high0 Ų012.4 Ų12.40%07%0.073CC..Hα-helixtrans-65.7-39.6179.3-69-179.3000111.7I527 A530 P533 T573 V574 L579 L580 A581 V587 P588 F594I527-L577 HydrophobicContact CD1-CB 4.35Å; I527-L577 HydrophobicContact CD1-CD1 3.96Å; I527-L577 HydrophobicContact CG2-CD1 4.29Å; A530-L577 HydrophobicContact CB-CD1 3.77Å; P533-L577 HydrophobicContact CG-CD2 4.12Å; T573-L577 HydrophobicContact CG2-CD1 3.6Å; T573-L577 HydrophobicContact CG2-CG 4.05Å; T573-L577 WeakPolarHBondContact O-CB 3.44Å; T573-L577 WeakPolarHBondContact O-CG 3.4Å; T573-L577 PolarHBondContact O-N 3.25Å; V574-L577 PolarHBondContact O-N 2.98Å; L577-L579 VanDerWaalsContact C-N 3.32Å; L577-L579 PolarHBondContact O-N 3.49Å; L577-L580 HydrophobicContact CD2-CD1 4.4Å; L577-L580 PolarHBondContact O-N 2.89Å; L577-A581 WeakPolarHBondContact O-CB 3.3Å; L577-A581 PolarHBondContact O-N 2.98Å; L577-V587 HydrophobicContact CD2-CB 4.09Å; L577-V587 HydrophobicContact CD2-CG1 4.46Å; L577-P588 VanDerWaalsContact CD2-CD 3.47Å; L577-P588 HydrophobicContact CD2-CG 3.69Å; L577-F594 HydrophobicContact CB-CE1 3.8Å; L577-F594 HydrophobicContact CB-CZ 3.83Å
578Q92.4Very high92.3Very high8 Ų812.1 Ų12.14%0.0377%0.072CC..Hα-helixtrans-59.3-44.1173.1-178.566.938.100111.5V574 G575 M576 A581 Q582 R595 C597V574-Q578 PolarHBondContact O-N 3.37Å; V574-Q578 VanDerWaalsContact O-N 3.1Å; G575-Q578 PolarHBondContact O-N 2.92Å; M576-Q578 VanDerWaalsContact C-N 3.35Å; Q578-A581 PolarHBondContact O-N 3.49Å; Q578-Q582 PolarHBondContact O-N 3.19Å; Q578-Q582 VanDerWaalsContact O-N 3.11Å; Q578-R595 PolarHBondContact NE2-O 2.94Å; Q578-C597 HydrophobicContact CG-CB 4.32Å
579L91.4Very high92.8Very high0 Ų09.6 Ų9.60%06%0.055CC..Hα-helixtrans-63.5-49.1177.6-67.4170.9000111.3L173 I175 L191 L193 P230 G575 M576 L577 A581 Q582 M583 L600L173-L579 HydrophobicContact CD2-CD2 3.44Å; L173-L579 VanDerWaalsContact CD2-CD2 3.44Å; I175-L579 HydrophobicContact CD1-CD1 4.34Å; I175-L579 HydrophobicContact CD1-CD2 3.63Å; I175-L579 HydrophobicContact CG1-CD2 4.04Å; L191-L579 HydrophobicContact CD1-CD1 3.81Å; L193-L579 HydrophobicContact CD1-CD1 3.69Å; L193-L579 HydrophobicContact CD2-CD1 3.52Å; L193-L579 HydrophobicContact CG-CD1 4.25Å; P230-L579 HydrophobicContact CG-CD2 3.64Å; G575-L579 WeakPolarHBondContact O-CG 3.4Å; G575-L579 PolarHBondContact O-N 3.42Å; G575-L579 VanDerWaalsContact O-N 3.17Å; M576-L579 PolarHBondContact O-N 2.98Å; L577-L579 VanDerWaalsContact C-N 3.32Å; L577-L579 PolarHBondContact O-N 3.49Å; L579-A581 VanDerWaalsContact C-N 3.31Å; L579-A581 PolarHBondContact O-N 2.8Å; L579-Q582 PolarHBondContact O-N 3.09Å; L579-M583 VanDerWaalsContact O-CG 3.23Å; L579-M583 WeakPolarHBondContact O-CG 3.37Å; L579-M583 PolarHBondContact O-N 2.95Å; L579-L600 HydrophobicContact CD1-CD2 3.96Å; L579-L600 HydrophobicContact CD2-CD2 3.86Å; L579-L600 HydrophobicContact CG-CD2 3.8Å
580L94.3Very high92.9Very high0 Ų015.6 Ų15.60%07%0.071CC..Hα-helixtrans-56.5-44.1177.6-76.3173.3000112.1L207 L211 W516 P533 M576 L577 M583 G584 S585 V587L207-L580 HydrophobicContact CD1-CD1 4.43Å; L207-L580 HydrophobicContact CD1-CD2 4.26Å; L207-L580 HydrophobicContact CD1-CG 4.48Å; L211-L580 HydrophobicContact CD1-CD2 3.7Å; L211-L580 HydrophobicContact CD2-CD2 3.93Å; L211-L580 HydrophobicContact CG-CD2 4.36Å; W516-L580 HydrophobicContact CH2-CD1 4.29Å; W516-L580 HydrophobicContact CZ3-CD1 4.22Å; W516-L580 HydrophobicContact CZ3-CD2 4.37Å; P533-L580 HydrophobicContact CB-CD1 4.1Å; P533-L580 HydrophobicContact CG-CD1 3.58Å; M576-L580 WeakPolarHBondContact O-CG 3.46Å; M576-L580 PolarHBondContact O-N 3.42Å; L577-L580 HydrophobicContact CD2-CD1 4.4Å; L577-L580 PolarHBondContact O-N 2.89Å; L580-M583 WeakPolarHBondContact O-CB 3.43Å; L580-M583 PolarHBondContact O-N 2.99Å; L580-G584 PolarHBondContact O-N 2.86Å; L580-S585 WeakPolarHBondContact O-CB 3.29Å; L580-S585 PolarHBondContact O-N 3.14Å; L580-V587 HydrophobicContact CB-CG1 3.9Å
581A94.5Very high93Very high0 Ų020 Ų200%09%0.094CC..Hα-helixtrans-60.9-50.7177.400000111.3I237 P519 F521 L577 Q578 L579 M583 G584 V587 F594I237-A581 WeakPolarHBondContact CG2-O 3.35Å; P519-A581 HydrophobicContact CB-CB 4.14Å; P519-A581 HydrophobicContact CG-CB 4.15Å; F521-A581 HydrophobicContact CE1-CB 4.44Å; F521-A581 HydrophobicContact CZ-CB 4.02Å; F521-A581 WeakPolarHBondContact CZ-O 3.13Å; L577-A581 WeakPolarHBondContact O-CB 3.3Å; L577-A581 PolarHBondContact O-N 2.98Å; Q578-A581 PolarHBondContact O-N 3.49Å; L579-A581 VanDerWaalsContact C-N 3.31Å; L579-A581 PolarHBondContact O-N 2.8Å; A581-M583 VanDerWaalsContact C-N 3.27Å; A581-M583 PolarHBondContact O-N 3.48Å; A581-G584 PolarHBondContact O-N 3.36Å; A581-V587 HydrophobicContact CB-CG1 4.36Å; A581-F594 HydrophobicContact CB-CB 4.34Å; A581-F594 HydrophobicContact CB-CD1 4.18Å; A581-F594 HydrophobicContact CB-CD2 3.48Å; A581-F594 VanDerWaalsContact CB-CD2 3.48Å; A581-F594 HydrophobicContact CB-CE1 4.36Å; A581-F594 HydrophobicContact CB-CE2 3.7Å; A581-F594 HydrophobicContact CB-CG 3.74Å; A581-F594 HydrophobicContact CB-CZ 4.15Å
582Q92.6Very high93.3Very high0 Ų018 Ų180%08%0.084CC..Hα-helixtrans-71.3-16.7180-80-171.6-117.600114.8P230 S231 I237 F521 Q578 L579 L596 C597P230-Q582 HydrophobicContact CB-CB 3.67Å; S231-Q582 PolarHBondContact N-O 3.11Å; S231-Q582 PolarHBondContact O-NE2 3.07Å; I237-Q582 HydrophobicContact CD1-CB 4.45Å; I237-Q582 HydrophobicContact CD1-CG 4.36Å; I237-Q582 WeakPolarHBondContact CG1-O 3.42Å; F521-Q582 HydrophobicContact CE1-CG 4.22Å; Q578-Q582 PolarHBondContact O-N 3.19Å; Q578-Q582 VanDerWaalsContact O-N 3.11Å; L579-Q582 PolarHBondContact O-N 3.09Å; Q582-L596 HydrophobicContact CG-CD1 4.25Å; Q582-C597 PolarHBondContact NE2-O 2.96Å; Q582-C597 PolarHBondContact OE1-O 3.46Å
583M90.4Very high93.6Very high0 Ų017.6 Ų17.60%09%0.085CC..THydrogen-bonded Turntrans-72.1-16.9167.3-73.6171.764.200112.7L211 L223 S226 I227 P230 R240 F503 L579 L580 A581L211-M583 HydrophobicContact CD1-CE 4.12Å; L223-M583 HydrophobicContact CD1-CE 3.94Å; S226-M583 VanDerWaalsContact O-CG 3.27Å; S226-M583 WeakPolarHBondContact O-CG 3.43Å; I227-M583 HydrophobicContact CB-CE 4.3Å; I227-M583 HydrophobicContact CB-SD 4.19Å; I227-M583 HydrophobicContact CD1-CE 4.37Å; I227-M583 HydrophobicContact CG1-CE 3.31Å; I227-M583 HydrophobicContact CG1-SD 3.63Å; P230-M583 HydrophobicContact CB-CG 4.25Å; P230-M583 HydrophobicContact CG-CG 4.24Å; R240-M583 PolarHBondContact NH1-O 2.73Å; F503-M583 HydrophobicContact CE2-CE 4.44Å; L579-M583 VanDerWaalsContact O-CG 3.23Å; L579-M583 WeakPolarHBondContact O-CG 3.37Å; L579-M583 PolarHBondContact O-N 2.95Å; L580-M583 WeakPolarHBondContact O-CB 3.43Å; L580-M583 PolarHBondContact O-N 2.99Å; A581-M583 VanDerWaalsContact C-N 3.27Å; A581-M583 PolarHBondContact O-N 3.48Å
584G93.7Very high93.7Very high0 Ų017.3 Ų17.30%08%0.083CC..THydrogen-bonded Turntrans80.429.4-169.200000113L241 I244 L580 A581L241-G584 WeakPolarHBondContact CD2-O 3.39Å; I244-G584 WeakPolarHBondContact CD1-O 3.46Å; L580-G584 PolarHBondContact O-N 2.86Å; A581-G584 PolarHBondContact O-N 3.36Å
585S96Very high93.5Very high0 Ų019.9 Ų19.90%09%0.092CC..  trans-96155.3171.8-178.70000111.1L580L580-S585 WeakPolarHBondContact O-CB 3.29Å; L580-S585 PolarHBondContact O-N 3.14Å
586F97.1Very high93.5Very high12 Ų1222 Ų225%0.05310%0.101CC..  trans-69.2159.9164.4-74.624.6000109.5L241 I244 E245 L248 A511 W516 V517 R518L241-F586 HydrophobicContact CD2-CD1 3.83Å; L241-F586 HydrophobicContact CD2-CE1 4.03Å; I244-F586 HydrophobicContact CB-CD1 4.41Å; I244-F586 HydrophobicContact CB-CE1 3.96Å; I244-F586 HydrophobicContact CB-CZ 4.47Å; I244-F586 HydrophobicContact CG2-CD1 3.88Å; I244-F586 HydrophobicContact CG2-CE1 3.66Å; I244-F586 HydrophobicContact CG2-CE2 4.38Å; I244-F586 HydrophobicContact CG2-CG 4.34Å; I244-F586 HydrophobicContact CG2-CZ 3.93Å; E245-F586 HydrophobicContact CB-CZ 4.08Å; L248-F586 HydrophobicContact CD1-CD2 4.06Å; L248-F586 HydrophobicContact CD1-CE2 3.55Å; L248-F586 HydrophobicContact CD1-CZ 4.14Å; A511-F586 HydrophobicContact CB-CB 3.85Å; A511-F586 HydrophobicContact CB-CD2 3.96Å; A511-F586 HydrophobicContact CB-CG 4.05Å; W516-F586 HydrophobicContact CB-CB 3.76Å; W516-F586 WeakPolarHBondContact O-CD2 3.36Å; V517-F586 CarbonylContact O-C 3.58Å; V517-F586 WeakPolarHBondContact O-CA 3.12Å; V517-F586 WeakPolarHBondContact O-CB 3.48Å; R518-F586 HydrophobicContact CB-CD1 4.28Å; R518-F586 HydrophobicContact CB-CD2 4.46Å; R518-F586 HydrophobicContact CB-CE1 3.86Å; R518-F586 HydrophobicContact CB-CE2 4.04Å; R518-F586 HydrophobicContact CB-CZ 3.72Å; R518-F586 HydrophobicContact CG-CE1 4.02Å; R518-F586 HydrophobicContact CG-CZ 4.23Å
587V96.6Very high93.1Very high0 Ų023.6 Ų23.60%011%0.112CC..BIsolated β-bridgetrans-126146.1-172.4-65.60000112.6W516 V517 P519 L577 L580 A581 A589 A592 F594W516-V587 WeakPolarHBondContact CB-O 3.15Å; V517-V587 HydrophobicContact CG2-CG2 4.11Å; V517-V587 WeakPolarHBondContact CG2-O 3.26Å; V517-V587 PolarHBondContact N-O 3.32Å; V517-V587 PolarHBondContact O-N 2.86Å; P519-V587 HydrophobicContact CB-CG1 4.5Å; P519-V587 HydrophobicContact CB-CG2 4.15Å; P519-V587 HydrophobicContact CG-CG1 4.47Å; L577-V587 HydrophobicContact CD2-CB 4.09Å; L577-V587 HydrophobicContact CD2-CG1 4.46Å; L580-V587 HydrophobicContact CB-CG1 3.9Å; A581-V587 HydrophobicContact CB-CG1 4.36Å; V587-A589 HydrophobicContact CG2-CB 4.45Å; V587-A589 PolarHBondContact O-N 3.5Å; V587-A592 HydrophobicContact CG2-CB 3.53Å; V587-F594 HydrophobicContact CG1-CE2 4.18Å; V587-F594 HydrophobicContact CG1-CZ 4.21Å; V587-F594 HydrophobicContact CG2-CE2 4.07Å; V587-F594 HydrophobicContact CG2-CZ 4.39Å
588P95.6Very high92.2Very high4 Ų427.3 Ų27.33%0.02613%0.132CC..SBendtrans-76.685.6176.227.2-32.2000111.9W516 R531 P533 L577W516-P588 HydrophobicContact CD2-CB 4.47Å; W516-P588 HydrophobicContact CG-CB 4.32Å; W516-P588 HydrophobicContact CZ2-CG 4.22Å; R531-P588 HydrophobicContact CB-CB 4.16Å; R531-P588 PolarHBondContact N-O 2.96Å; R531-P588 WeakPolarHBondContact O-CG 3.35Å; P533-P588 HydrophobicContact CB-CG 4.23Å; P533-P588 HydrophobicContact CG-CG 3.87Å; L577-P588 VanDerWaalsContact CD2-CD 3.47Å; L577-P588 HydrophobicContact CD2-CG 3.69Å
589A94.3Very high91.4Very high13 Ų1329.9 Ų29.911%0.10714%0.144CC..SBendtrans-150.5175.417600000109.8V517 I527 V587 A592V517-A589 VanDerWaalsContact CG1-O 3.29Å; V517-A589 WeakPolarHBondContact CG1-O 3.46Å; V517-A589 HydrophobicContact CG2-CB 4.1Å; V517-A589 VanDerWaalsContact CG2-O 3.25Å; V517-A589 WeakPolarHBondContact CG2-O 3.45Å; I527-A589 HydrophobicContact CG2-CB 3.54Å; V587-A589 HydrophobicContact CG2-CB 4.45Å; V587-A589 PolarHBondContact O-N 3.5Å; A589-A592 HydrophobicContact CB-CB 4.07Å
590R92.5Very high90.7Very high182 Ų18231.3 Ų31.369%0.68715%0.151SC*.SBendtrans-84.4-44.2168.7-176-175.5173.9177.7-1.1111.6S528 Q529S528-R590 PolarHBondContact O-N 3.21Å; Q529-R590 HydrophobicContact CB-CB 4.03Å; Q529-R590 HydrophobicContact CG-CB 4.35Å
591I93.9Very high89.8Confident105 Ų10536.3 Ų36.354%0.53817%0.173SC..EExtended strand (participates in β ladder)trans-145.6138.4175.6-58.5174.4000105.3S528S528-I591 PolarHBondContact N-O 2.92Å
592A94.6Very high88.7Confident1 Ų137.3 Ų37.31%0.00818%0.18CC..EExtended strand (participates in β ladder)trans-142.7125.8-18000000111.5P519 D520 A526 I527 V587 A589 F594P519-A592 WeakPolarHBondContact CA-O 3.46Å; D520-A592 PolarHBondContact N-O 2.73Å; A526-A592 CarbonylContact O-C 3.38Å; I527-A592 HydrophobicContact CG1-CB 4.48Å; I527-A592 HydrophobicContact CG2-CB 4.01Å; V587-A592 HydrophobicContact CG2-CB 3.53Å; A589-A592 HydrophobicContact CB-CB 4.07Å; A592-F594 HydrophobicContact CB-CD2 4.4Å; A592-F594 HydrophobicContact CB-CE2 3.56Å; A592-F594 HydrophobicContact CB-CZ 4.14Å
593S95.5Very high87.5Confident21 Ų2143 Ų4315%0.14720%0.201CC..EExtended strand (participates in β ladder)trans-119.9139165.1-169.90000109.5D520 S522 M525 A526D520-S593 CarbonylContact O-C 3.33Å; D520-S593 WeakPolarHBondContact O-CA 3.34Å; D520-S593 PolarHBondContact O-OG 2.54Å; S522-S593 PolarHBondContact OG-OG 3Å; M525-S593 CarbonylContact C-O 3.53Å; M525-S593 WeakPolarHBondContact CA-O 3.46Å; A526-S593 PolarHBondContact N-O 3.11Å; A526-S593 PolarHBondContact O-N 2.92Å
594F93.2Very high85.8Confident0 Ų046.5 Ų46.50%022%0.219CC..EExtended strand (participates in β ladder)trans-123.9148.6-179.4-64.4-92.2000111.1P519 D520 F521 S522 M525 I527 L577 A581 V587 A592P519-F594 HydrophobicContact CB-CD2 3.73Å; P519-F594 HydrophobicContact CB-CE2 3.69Å; D520-F594 PolarHBondContact O-N 2.99Å; F521-F594 VanDerWaalsContact CA-O 3.31Å; F521-F594 WeakPolarHBondContact CA-O 3.49Å; F521-F594 HydrophobicContact CD1-CB 4.3Å; F521-F594 HydrophobicContact CE1-CB 4.2Å; S522-F594 PolarHBondContact N-O 3.42Å; M525-F594 HydrophobicContact CE-CD1 4.18Å; I527-F594 HydrophobicContact CD1-CD1 4.23Å; I527-F594 HydrophobicContact CD1-CE1 3.36Å; I527-F594 HydrophobicContact CD1-CZ 3.57Å; I527-F594 HydrophobicContact CG1-CE1 4.12Å; I527-F594 HydrophobicContact CG1-CZ 4.06Å; L577-F594 HydrophobicContact CB-CE1 3.8Å; L577-F594 HydrophobicContact CB-CZ 3.83Å; A581-F594 HydrophobicContact CB-CB 4.34Å; A581-F594 HydrophobicContact CB-CD1 4.18Å; A581-F594 HydrophobicContact CB-CD2 3.48Å; A581-F594 VanDerWaalsContact CB-CD2 3.48Å; A581-F594 HydrophobicContact CB-CE1 4.36Å; A581-F594 HydrophobicContact CB-CE2 3.7Å; A581-F594 HydrophobicContact CB-CG 3.74Å; A581-F594 HydrophobicContact CB-CZ 4.15Å; V587-F594 HydrophobicContact CG1-CE2 4.18Å; V587-F594 HydrophobicContact CG1-CZ 4.21Å; V587-F594 HydrophobicContact CG2-CE2 4.07Å; V587-F594 HydrophobicContact CG2-CZ 4.39Å; A592-F594 HydrophobicContact CB-CD2 4.4Å; A592-F594 HydrophobicContact CB-CE2 3.56Å; A592-F594 HydrophobicContact CB-CZ 4.14Å
595R89.9Confident83.4Confident63 Ų6350 Ų5024%0.23824%0.243CC..  trans-84.7133.9163.9-177.4176169.3-174.4-6.4109.2S522 Q578 C597S522-R595 VanDerWaalsContact O-CA 3.25Å; S522-R595 WeakPolarHBondContact O-CA 3.16Å; Q578-R595 PolarHBondContact NE2-O 2.94Å; R595-C597 PolarHBondContact O-N 3.38Å
596L87.8Confident80.7Confident52 Ų5258 Ų5827%0.27228%0.28SS..  trans-61123.4173.5-164.776.6000109.1R232 I237 F521 Q582R232-L596 HydrophobicContact CG-CD2 4.3Å; R232-L596 HydrophobicContact CG-CG 4.35Å; R232-L596 WeakPolarHBondContact O-CD2 3.18Å; I237-L596 HydrophobicContact CD1-CD1 3.94Å; F521-L596 HydrophobicContact CD1-CD1 4.33Å; F521-L596 HydrophobicContact CE1-CD1 4.26Å; Q582-L596 HydrophobicContact CG-CD1 4.25Å
597C84Confident77.6Confident35 Ų3563.5 Ų63.524%0.23631%0.31CS..  trans-109.8149.7-175.8-167.50000110.9L173 Q578 Q582 R595 Q599L173-C597 HydrophobicContact CD1-CB 3.79Å; L173-C597 WeakPolarHBondContact CD1-O 3.39Å; Q578-C597 HydrophobicContact CG-CB 4.32Å; Q582-C597 PolarHBondContact NE2-O 2.96Å; Q582-C597 PolarHBondContact OE1-O 3.46Å; R595-C597 PolarHBondContact O-N 3.38Å; C597-Q599 PolarHBondContact SG-O 2.84Å
598D75.5Confident74.6Confident78 Ų7869.6 Ų69.642%0.41734%0.343SS..SBendtrans-103-36.4-178.1-57.1-17.2000111.7L173 I174 R232L173-D598 WeakPolarHBondContact CA-O 2.8Å; I174-D598 PolarHBondContact N-O 2.98Å; R232-D598 VanDerWaalsContact CD-OD1 3.24Å; R232-D598 WeakPolarHBondContact CD-OD1 3.31Å; R232-D598 IonicContact CZ-OD1 3.33Å; R232-D598 IonicContact NE-OD1 2.73Å; R232-D598 IonicContact NH1-OD1 3.56Å; R232-D598 PolarHBondContact NH1-OD1 3.05Å; R232-D598 IonicContact NH1-OD2 3Å; R232-D598 PolarHBondContact NH1-OD2 3.27Å
599Q74.9Confident71.6Confident62 Ų6274.2 Ų74.229%0.2938%0.375SS..EExtended strand (participates in β ladder)trans-144130.1-176.5-55.6-173.7-11.700110.2I174 C597 F601I174-Q599 HydrophobicContact CB-CG 4.27Å; I174-Q599 VanDerWaalsContact O-CA 3.26Å; I174-Q599 WeakPolarHBondContact O-CA 3.31Å; C597-Q599 PolarHBondContact SG-O 2.84Å; Q599-F601 HydrophobicContact CB-CD2 4.21Å; Q599-F601 HydrophobicContact CB-CE2 3.49Å; Q599-F601 VanDerWaalsContact CB-CE2 3.49Å; Q599-F601 HydrophobicContact CB-CZ 3.92Å; Q599-F601 HydrophobicContact CG-CE2 4.38Å; Q599-F601 HydrophobicContact CG-CZ 4.49Å
600L78.4Confident68.9Low29 Ų2980.9 Ų80.915%0.15241%0.408CS..EExtended strand (participates in β ladder)trans-112.2116.8174.4-175.670.3000109.1L173 I174 G176 L191 L579L173-L600 HydrophobicContact CD2-CB 4.23Å; I174-L600 PolarHBondContact O-N 3.45Å; G176-L600 PolarHBondContact N-O 2.85Å; L191-L600 HydrophobicContact CD1-CD2 3.77Å; L579-L600 HydrophobicContact CD1-CD2 3.96Å; L579-L600 HydrophobicContact CD2-CD2 3.86Å; L579-L600 HydrophobicContact CG-CD2 3.8Å
601F74.6Confident66.2Low106 Ų10681.1 Ų81.147%0.46542%0.417SS..EExtended strand (participates in β ladder)trans-112.7136.2176.6-61-77.8000110.2V178 Q599V178-F601 HydrophobicContact CG2-CB 4.4Å; V178-F601 HydrophobicContact CG2-CD1 3.84Å; V178-F601 HydrophobicContact CG2-CG 4.5Å; Q599-F601 HydrophobicContact CB-CD2 4.21Å; Q599-F601 HydrophobicContact CB-CE2 3.49Å; Q599-F601 VanDerWaalsContact CB-CE2 3.49Å; Q599-F601 HydrophobicContact CB-CZ 3.92Å; Q599-F601 HydrophobicContact CG-CE2 4.38Å; Q599-F601 HydrophobicContact CG-CZ 4.49Å
602S71.5Confident63.3Low20 Ų2079.2 Ų79.214%0.1441%0.413CS..  trans-118.3141.2165.977.60000110.4T187 H190T187-S602 VanDerWaalsContact CA-OG 3.3Å; T187-S602 WeakPolarHBondContact CA-OG 3.1Å; T187-S602 WeakPolarHBondContact CB-OG 3.4Å; T187-S602 PolarHBondContact OG1-N 3.37Å; T187-S602 PolarHBondContact OG1-OG 3.08Å; T187-S602 VanDerWaalsContact OG1-OG 3.09Å; H190-S602 PolarHBondContact ND1-OG 3.36Å; H190-S602 VanDerWaalsContact ND1-OG 3.11Å
603R68.2Low60.5Low120 Ų12084.2 Ų84.245%0.45345%0.448SS..  trans-135.4107.8169-172.7175-179.8170.32.3108.5D608R603-D608 PolarHBondContact NH2-O 3.34Å
604I54.7Low57.6Low73 Ų7386 Ų8637%0.37446%0.46SS..  trans-121.776177.4-51.3175.9000106.8H190H190-I604 HydrophobicContact CB-CD1 4.29Å
605C42.6Very low54.8Low74 Ų7492 Ų9250%0.550%0.502SS..  trans-150.2140.2174-119.60000111.5
606H39.6Very low52.3Low169 Ų16993.4 Ų93.478%0.78252%0.522SS*.SBendtrans-79.1125.6169.7-74.1-24.8000109.3
607N31.2Very low50.2Low127 Ų12797.1 Ų97.168%0.67954%0.536SS*.  trans87.6133.4174.3-64.8-9.5000119.5
608D33.1Very low48.7Very low128 Ų128100.7 Ų100.768%0.68455%0.55SS**  trans95123.7151.9-61-14.6000124.1R603R603-D608 PolarHBondContact NH2-O 3.34Å
609S33.1Very low47.6Very low101 Ų101102.2 Ų102.271%0.70656%0.563SS**  trans41.6114164.959.10000119.8
610L38.7Very low47Very low153 Ų153105.7 Ų105.780%0.80158%0.579SS**  trans-85.41.4176.8-111.299.9000114
611E34.3Very low46.7Very low187 Ų187106.2 Ų106.287%0.87459%0.587SS**  trans-96.34.2-150.3-86.5-172.6160.900118.3
612S34.2Very low47.2Very low64 Ų64103.5 Ų103.545%0.44858%0.577SS.*SBendtrans-114.4114.5-179.960.60000113.8F180F180-S612 WeakPolarHBondContact CE1-OG 3.28Å; F180-S612 WeakPolarHBondContact CZ-OG 3.48Å
613S34.8Very low47.9Very low106 Ų106104.6 Ų104.674%0.74158%0.583SS**SBendtrans9715.8162.275.80000121.6
614S34.2Very low48.9Very low59 Ų59100.8 Ų100.841%0.41357%0.57SS.*  trans-111.837-169-43.60000117.4
615S36.1Very low50.6Low125 Ų125100 Ų10087%0.87457%0.566SS**SBendtrans-83.2-20.3-177.951.20000115.5
616S36.6Very low52.6Low94 Ų9498.4 Ų98.466%0.65755%0.554SS**SBendtrans-119.3-22.9175.755.90000114.4M618S616-M618 PolarHBondContact O-N 3.01Å
617F44.3Very low54.7Low129 Ų12990.8 Ų90.857%0.56652%0.519SS*.G310 helixtrans-72.6-28-172.3-106.4-89.5000115V619F617-V619 PolarHBondContact O-N 3.46Å
618M51.9Low57Low110 Ų11088.9 Ų88.954%0.54251%0.506SS..G310 helixtrans-82-14.5-168.8-75.9-176.961.600114.9S616 E620S616-M618 PolarHBondContact O-N 3.01Å; M618-E620 VanDerWaalsContact C-N 3.27Å; M618-E620 PolarHBondContact O-N 2.86Å
619V51.8Low59Low111 Ų11190.8 Ų90.867%0.67351%0.505SS*.G310 helixtrans-69-28.9-171.8-175.70000111.8R555 F617R555-V619 PolarHBondContact NH1-O 3.21Å; F617-V619 PolarHBondContact O-N 3.46Å
620E62.6Low61Low135 Ų13588.7 Ų88.763%0.63149%0.486SS*.SBendtrans-109.5-4.6-177.5-66.2-169.5176.900115.9M618M618-E620 VanDerWaalsContact C-N 3.27Å; M618-E620 PolarHBondContact O-N 2.86Å
621A73.4Confident62.6Low39 Ų3985.4 Ų85.432%0.32247%0.469SS..  trans-69.4138.5-177.500000112.2V623A621-V623 HydrophobicContact CB-CG2 4.03Å
622L83.7Confident64.8Low49 Ų4979.4 Ų79.426%0.25744%0.442SS..  trans-85.7121160.2-65178.8000107.9A550 R555A550-L622 HydrophobicContact CB-CD1 4.2Å; A550-L622 HydrophobicContact CB-CD2 4.2Å; R555-L622 HydrophobicContact CB-CD2 4.28Å; R555-L622 HydrophobicContact CG-CD2 4.13Å
623V87.6Confident66.9Low43 Ų4376.4 Ų76.426%0.26142%0.421SS..EExtended strand (participates in β ladder)trans-119.7124.7-173.5-177.80000109.7R555 F556 I557 A621R555-V623 PolarHBondContact O-N 3.44Å; F556-V623 CarbonylContact C-O 3.58Å; F556-V623 WeakPolarHBondContact CA-O 3.44Å; F556-V623 HydrophobicContact CD2-CB 3.68Å; F556-V623 HydrophobicContact CD2-CG1 3.85Å; F556-V623 HydrophobicContact CD2-CG2 4.15Å; F556-V623 HydrophobicContact CE2-CB 3.95Å; F556-V623 HydrophobicContact CE2-CG1 3.58Å; F556-V623 HydrophobicContact CE2-CG2 4.39Å; F556-V623 HydrophobicContact CG-CB 4.34Å; F556-V623 HydrophobicContact CZ-CG1 4.13Å; I557-V623 PolarHBondContact N-O 3.34Å; A621-V623 HydrophobicContact CB-CG2 4.03Å
624F88.7Confident68.9Low40 Ų4073.6 Ų73.618%0.17540%0.397CS..EExtended strand (participates in β ladder)trans-108.6114.3169-66.5-100.1000109M525 V548 A550 I557 I559 Y570 L571 V574M525-F624 HydrophobicContact SD-CE2 4.34Å; M525-F624 HydrophobicContact SD-CZ 4.06Å; V548-F624 HydrophobicContact CG1-CE1 4Å; V548-F624 HydrophobicContact CG1-CZ 3.93Å; A550-F624 HydrophobicContact CB-CE2 4.22Å; A550-F624 HydrophobicContact CB-CZ 3.75Å; I557-F624 HydrophobicContact CB-CD1 3.79Å; I557-F624 HydrophobicContact CB-CE1 4.08Å; I557-F624 HydrophobicContact CB-CG 4.41Å; I557-F624 HydrophobicContact CD1-CD1 4.16Å; I557-F624 HydrophobicContact CD1-CD2 4.48Å; I557-F624 HydrophobicContact CD1-CE1 3.88Å; I557-F624 HydrophobicContact CD1-CE2 4.21Å; I557-F624 HydrophobicContact CD1-CG 4.46Å; I557-F624 HydrophobicContact CD1-CZ 3.91Å; I557-F624 HydrophobicContact CG1-CD1 4.22Å; I557-F624 HydrophobicContact CG1-CE1 4.02Å; I557-F624 HydrophobicContact CG2-CD1 4.03Å; I557-F624 HydrophobicContact CG2-CE1 4.27Å; I557-F624 CarbonylContact O-C 3.44Å; I557-F624 WeakPolarHBondContact O-CA 3.01Å; I559-F624 HydrophobicContact CD1-CD1 4.31Å; Y570-F624 HydrophobicContact CE1-CD1 4.4Å; Y570-F624 HydrophobicContact CE1-CE1 4.49Å; L571-F624 HydrophobicContact CD2-CB 3.35Å; L571-F624 HydrophobicContact CD2-CG 4.32Å; V574-F624 HydrophobicContact CG1-CD2 4.29Å; V574-F624 HydrophobicContact CG1-CE1 4.33Å; V574-F624 HydrophobicContact CG1-CE2 3.8Å; V574-F624 HydrophobicContact CG1-CZ 3.82Å; V574-F624 HydrophobicContact CG2-CE1 4.33Å
625L89.3Confident71.1Confident57 Ų5773.3 Ų73.330%0.29839%0.39SS..EExtended strand (participates in β ladder)trans-111.2110.1-178.3-178.666.5000110.5F556 I557 I558 I559 L632F556-L625 HydrophobicContact CE1-CB 4.03Å; F556-L625 HydrophobicContact CE1-CD2 3.84Å; F556-L625 HydrophobicContact CZ-CB 4.21Å; F556-L625 HydrophobicContact CZ-CD2 3.88Å; I557-L625 PolarHBondContact O-N 3.43Å; I558-L625 CarbonylContact C-O 3.54Å; I558-L625 WeakPolarHBondContact CA-O 3.25Å; I559-L625 PolarHBondContact N-O 3Å; L625-L632 HydrophobicContact CD2-CD2 3.56Å
626V86.1Confident73.2Confident40 Ų4068.3 Ų68.324%0.24235%0.354CS..EExtended strand (participates in β ladder)trans-86129.9169.4164.70000110I559 K567 L571I559-V626 HydrophobicContact CB-CG2 3.92Å; I559-V626 HydrophobicContact CD1-CG2 4.43Å; I559-V626 HydrophobicContact CG2-CG2 4.17Å; I559-V626 WeakPolarHBondContact O-CA 3.41Å; K567-V626 HydrophobicContact CB-CB 4.5Å; K567-V626 HydrophobicContact CB-CG1 3.6Å; K567-V626 HydrophobicContact CB-CG2 4Å; K567-V626 HydrophobicContact CD-CG1 3.78Å; K567-V626 HydrophobicContact CG-CG1 4.25Å; L571-V626 HydrophobicContact CD1-CB 3.76Å; L571-V626 HydrophobicContact CD1-CG2 3.31Å; L571-V626 HydrophobicContact CD2-CG2 4.12Å; L571-V626 HydrophobicContact CG-CB 4.48Å; L571-V626 HydrophobicContact CG-CG2 3.5Å
627T83.5Confident74.9Confident10 Ų1068.2 Ų68.26%0.06134%0.339CS..EExtended strand (participates in β ladder)trans-143.6151.2-178.7-174.80000112.8I558 I559 S560 Y629 L632I558-T627 HydrophobicContact CG2-CG2 3.72Å; I559-T627 PolarHBondContact O-N 3.38Å; S560-T627 WeakPolarHBondContact CA-O 3.46Å; T627-Y629 WeakPolarHBondContact OG1-CB 3.48Å; T627-Y629 WeakPolarHBondContact OG1-CD2 3.36Å; T627-Y629 PolarHBondContact OG1-N 3.36Å; T627-L632 HydrophobicContact CG2-CB 4.19Å
628H78.7Confident76.4Confident87 Ų8765.9 Ų65.940%0.40333%0.332SS..SBendtrans-91.9-13.3166.2-72.6-77.4000112.5N563 K567 L630N563-H628 PolarHBondContact OD1-CE1 3.35Å; N563-H628 PolarHBondContact OD1-NE2 3.34Å; N563-H628 VanDerWaalsContact OD1-NE2 3.15Å; K567-H628 PolarHBondContact NZ-CE1 3.39Å; K567-H628 PolarHBondContact NZ-NE2 3.22Å; H628-L630 PolarHBondContact O-N 3.34Å
629Y75.1Confident77.6Confident167 Ų16767 Ų6766%0.65533%0.331SS*.  trans-81.3101.5180-59.1-67.4000110T627 D631 L632T627-Y629 WeakPolarHBondContact OG1-CB 3.48Å; T627-Y629 WeakPolarHBondContact OG1-CD2 3.36Å; T627-Y629 PolarHBondContact OG1-N 3.36Å; Y629-D631 PolarHBondContact O-N 3.31Å; Y629-L632 WeakPolarHBondContact O-CB 3.41Å; Y629-L632 PolarHBondContact O-N 2.85Å; Y629-L632 VanDerWaalsContact O-N 3.12Å
630L74.7Confident78.6Confident58 Ų5863.5 Ų63.530%0.30431%0.31SS..G310 helixtrans-59.2-26.8176.4-66.5173.3000112.4H628 L632 A633 H669H628-L630 PolarHBondContact O-N 3.34Å; L630-L632 VanDerWaalsContact C-N 3.29Å; L630-L632 PolarHBondContact O-N 2.8Å; L630-A633 WeakPolarHBondContact O-CB 3.16Å; L630-A633 PolarHBondContact O-N 2.85Å; L630-H669 HydrophobicContact CD2-CB 3.99Å
631D73.9Confident79.4Confident84 Ų8462.1 Ų62.145%0.44930%0.3SS..G310 helixtrans-65.2-33178-59.7-20.1000112.9Y629 A633 E634 K703Y629-D631 PolarHBondContact O-N 3.31Å; D631-A633 PolarHBondContact O-N 2.94Å; D631-E634 VanDerWaalsContact O-CB 3.3Å; D631-E634 WeakPolarHBondContact O-CB 3.15Å; D631-E634 PolarHBondContact O-N 3.46Å; D631-K703 IonicContact OD1-NZ 3.56Å; D631-K703 PolarHBondContact OD1-NZ 2.99Å; D631-K703 IonicContact OD2-NZ 3.44Å; D631-K703 PolarHBondContact OD2-NZ 3.45Å
632L79.9Confident80Confident61 Ų6160.8 Ų60.832%0.31929%0.288SS..G310 helixtrans-64.6-27.8175.2-110.578.1000111.2I558 L625 T627 Y629 L630 E634 L635I558-L632 WeakPolarHBondContact CD1-O 3.41Å; L625-L632 HydrophobicContact CD2-CD2 3.56Å; T627-L632 HydrophobicContact CG2-CB 4.19Å; Y629-L632 WeakPolarHBondContact O-CB 3.41Å; Y629-L632 PolarHBondContact O-N 2.85Å; Y629-L632 VanDerWaalsContact O-N 3.12Å; L630-L632 VanDerWaalsContact C-N 3.29Å; L630-L632 PolarHBondContact O-N 2.8Å; L632-E634 PolarHBondContact O-N 3.32Å; L632-L635 HydrophobicContact CG-CD1 4.08Å; L632-L635 VanDerWaalsContact O-CB 3.23Å; L632-L635 WeakPolarHBondContact O-CB 3.21Å; L632-L635 VanDerWaalsContact O-CG 3.24Å; L632-L635 WeakPolarHBondContact O-CG 3.2Å; L632-L635 PolarHBondContact O-N 3.48Å
633A77.4Confident80.2Confident0 Ų058.7 Ų58.70%028%0.277CS..G310 helixtrans-66.1-17.7175.400000112L630 D631 L635 D636 S644 I668L630-A633 WeakPolarHBondContact O-CB 3.16Å; L630-A633 PolarHBondContact O-N 2.85Å; D631-A633 PolarHBondContact O-N 2.94Å; A633-L635 PolarHBondContact O-N 2.76Å; A633-D636 WeakPolarHBondContact O-CB 3.44Å; A633-D636 PolarHBondContact O-N 3.3Å; A633-S644 VanDerWaalsContact CA-OG 3.28Å; A633-S644 WeakPolarHBondContact CA-OG 3.49Å; A633-S644 WeakPolarHBondContact CB-OG 3.39Å; A633-S644 PolarHBondContact O-OG 3.06Å; A633-I668 HydrophobicContact CB-CG1 4.08Å; A633-I668 HydrophobicContact CB-CG2 4.18Å
634E77.4Confident80.3Confident48 Ų4856.7 Ų56.722%0.22427%0.265CS..G310 helixtrans-69.2-16.6172.4-58.9-160.2137.700113D631 L632 D636 R637 N707D631-E634 VanDerWaalsContact O-CB 3.3Å; D631-E634 WeakPolarHBondContact O-CB 3.15Å; D631-E634 PolarHBondContact O-N 3.46Å; L632-E634 PolarHBondContact O-N 3.32Å; E634-D636 PolarHBondContact O-N 3.18Å; E634-R637 WeakPolarHBondContact O-CA 3.38Å; E634-R637 VanDerWaalsContact O-CB 3.32Å; E634-R637 WeakPolarHBondContact O-CB 3.37Å; E634-R637 PolarHBondContact O-N 3.07Å; E634-R637 IonicContact OE1-NH1 3.98Å; E634-R637 PolarHBondContact OE1-NH1 2.87Å; E634-R637 VanDerWaalsContact OE1-NH1 3.12Å; E634-N707 PolarHBondContact OE1-ND2 3.05Å; E634-N707 PolarHBondContact OE2-ND2 2.84Å
635L80.7Confident80.4Confident52 Ų5256.3 Ų56.327%0.27226%0.263SS..Hα-helixtrans-58.7-27172.5-66.1172.3000112.1I558 L632 A633 R637 L638 Y639 V642I558-L635 HydrophobicContact CD1-CB 3.9Å; I558-L635 HydrophobicContact CD1-CD1 3.97Å; I558-L635 HydrophobicContact CD1-CG 4.47Å; L632-L635 HydrophobicContact CG-CD1 4.08Å; L632-L635 VanDerWaalsContact O-CB 3.23Å; L632-L635 WeakPolarHBondContact O-CB 3.21Å; L632-L635 VanDerWaalsContact O-CG 3.24Å; L632-L635 WeakPolarHBondContact O-CG 3.2Å; L632-L635 PolarHBondContact O-N 3.48Å; A633-L635 PolarHBondContact O-N 2.76Å; L635-R637 PolarHBondContact O-N 3.07Å; L635-L638 HydrophobicContact CD2-CD1 4.4Å; L635-L638 PolarHBondContact O-N 3.14Å; L635-Y639 HydrophobicContact CB-CD2 4.31Å; L635-Y639 HydrophobicContact CD2-CD2 3.96Å; L635-Y639 HydrophobicContact CD2-CE2 3.66Å; L635-Y639 PolarHBondContact O-N 3.3Å; L635-V642 HydrophobicContact CB-CG1 4.07Å
636D80.1Confident80.5Confident21 Ų2154.7 Ų54.711%0.11225%0.253CS..Hα-helixtrans-54.9-34.6170-176.635.8000111.5A633 E634 V642 D643 S644 R718A633-D636 WeakPolarHBondContact O-CB 3.44Å; A633-D636 PolarHBondContact O-N 3.3Å; E634-D636 PolarHBondContact O-N 3.18Å; D636-V642 HydrophobicContact CB-CG1 4.41Å; D636-D643 WeakPolarHBondContact OD1-CA 3.42Å; D636-S644 WeakPolarHBondContact CB-OG 3.29Å; D636-S644 PolarHBondContact OD1-N 3.02Å; D636-R718 PolarHBondContact O-NH1 2.9Å; D636-R718 IonicContact OD1-CZ 3.88Å; D636-R718 IonicContact OD1-NH1 3.65Å; D636-R718 PolarHBondContact OD1-NH1 3.45Å; D636-R718 IonicContact OD1-NH2 2.82Å; D636-R718 PolarHBondContact OD1-NH2 3.31Å
637R72.7Confident80.6Confident92 Ų9252.9 Ų52.935%0.34724%0.242SC..Hα-helixtrans-78.4-26176.6-60.6176.1176.8154.71.6112.9E634 L635 I668E634-R637 WeakPolarHBondContact O-CA 3.38Å; E634-R637 VanDerWaalsContact O-CB 3.32Å; E634-R637 WeakPolarHBondContact O-CB 3.37Å; E634-R637 PolarHBondContact O-N 3.07Å; E634-R637 IonicContact OE1-NH1 3.98Å; E634-R637 PolarHBondContact OE1-NH1 2.87Å; E634-R637 VanDerWaalsContact OE1-NH1 3.12Å; L635-R637 PolarHBondContact O-N 3.07Å; R637-I668 HydrophobicContact CG-CD1 4.33Å
638L74.6Confident80.8Confident80 Ų8056.2 Ų56.242%0.41926%0.257SS..Hα-helixtrans-97.4-18.3-171.1-63176.3000114L635 L714L635-L638 HydrophobicContact CD2-CD1 4.4Å; L635-L638 PolarHBondContact O-N 3.14Å; L638-L714 WeakPolarHBondContact O-CD2 3.43Å
639Y77.2Confident81Confident134 Ų13452.7 Ų52.753%0.52524%0.243SC..  trans-136.6128.8-175.5-64.7-80.7000111.4L635 Y641 V642L635-Y639 HydrophobicContact CB-CD2 4.31Å; L635-Y639 HydrophobicContact CD2-CD2 3.96Å; L635-Y639 HydrophobicContact CD2-CE2 3.66Å; L635-Y639 PolarHBondContact O-N 3.3Å; Y639-Y641 VanDerWaalsContact C-N 3.32Å; Y639-Y641 PolarHBondContact O-N 3.47Å; Y639-V642 HydrophobicContact CG-CG2 4.34Å; Y639-V642 PolarHBondContact O-N 3.28Å
640P72.3Confident81.1Confident37 Ų3747.8 Ų47.824%0.2423%0.233CC..THydrogen-bonded Turntrans-65.8-30.5-171.921.4-30.8000114.5R718P640-R718 HydrophobicContact CB-CB 4.47Å; P640-R718 HydrophobicContact CB-CG 4.07Å; P640-R718 PolarHBondContact O-NE 3.09Å
641Y80.1Confident81.1Confident105 Ų10547.3 Ų47.341%0.41223%0.229SC..THydrogen-bonded Turntrans-91.52.4-178.3-52.8-70.4000114.2P552 R555 F556 Y639P552-Y641 WeakPolarHBondContact O-CD1 3.48Å; R555-Y641 PolarHBondContact N-O 3.37Å; F556-Y641 PolarHBondContact N-O 3.48Å; Y639-Y641 VanDerWaalsContact C-N 3.32Å; Y639-Y641 PolarHBondContact O-N 3.47Å
642V85.6Confident81Confident12 Ų1245.9 Ų45.97%0.07322%0.221CC..EExtended strand (participates in β ladder)trans-96.7122.2177.7175.70000108.4F556 I558 L635 D636 Y639 R718F556-V642 HydrophobicContact CB-CB 4.47Å; F556-V642 HydrophobicContact CB-CG2 3.89Å; F556-V642 HydrophobicContact CD1-CG1 4.19Å; F556-V642 HydrophobicContact CD1-CG2 4.15Å; F556-V642 HydrophobicContact CG-CG2 4.2Å; F556-V642 CarbonylContact O-C 3.56Å; F556-V642 WeakPolarHBondContact O-CA 3.48Å; I558-V642 HydrophobicContact CD1-CG1 3.54Å; I558-V642 HydrophobicContact CG1-CG1 3.93Å; L635-V642 HydrophobicContact CB-CG1 4.07Å; D636-V642 HydrophobicContact CB-CG1 4.41Å; Y639-V642 HydrophobicContact CG-CG2 4.34Å; Y639-V642 PolarHBondContact O-N 3.28Å; V642-R718 PolarHBondContact O-NH2 3Å
643D88Confident80.6Confident5 Ų547.8 Ų47.83%0.02724%0.239CC..EExtended strand (participates in β ladder)trans-111.6136.1169.3-84.4-62.1000110.3S554 F556 I557 I558 D636 Y645 R666 R718S554-D643 WeakPolarHBondContact CB-OD2 3.28Å; S554-D643 PolarHBondContact OG-OD2 3.48Å; F556-D643 PolarHBondContact O-N 2.8Å; I557-D643 CarbonylContact C-O 3.57Å; I557-D643 WeakPolarHBondContact CA-O 3.33Å; I558-D643 PolarHBondContact N-O 3.28Å; D636-D643 WeakPolarHBondContact OD1-CA 3.42Å; D643-Y645 HydrophobicContact CB-CD2 4.41Å; D643-Y645 HydrophobicContact CB-CE2 3.75Å; D643-R666 IonicContact OD1-CZ 4Å; D643-R666 IonicContact OD1-NE 2.67Å; D643-R666 IonicContact OD1-NH2 3.95Å; D643-R666 PolarHBondContact OD1-NH2 2.88Å; D643-R718 IonicContact OD1-NH2 3.24Å; D643-R718 PolarHBondContact OD1-NH2 3.21Å
644S89.8Confident80.1Confident0 Ų052.2 Ų52.20%028%0.276CS..EExtended strand (participates in β ladder)trans-101.3139.6173.6-78.20000112.4I558 A633 D636 G667I558-S644 CarbonylContact O-C 3.55Å; I558-S644 WeakPolarHBondContact O-CA 3.38Å; A633-S644 VanDerWaalsContact CA-OG 3.28Å; A633-S644 WeakPolarHBondContact CA-OG 3.49Å; A633-S644 WeakPolarHBondContact CB-OG 3.39Å; A633-S644 PolarHBondContact O-OG 3.06Å; D636-S644 WeakPolarHBondContact CB-OG 3.29Å; D636-S644 PolarHBondContact OD1-N 3.02Å; S644-G667 WeakPolarHBondContact O-CA 3.18Å; S644-G667 PolarHBondContact O-N 3.14Å
645Y91.2Very high79.7Confident33 Ų3353.5 Ų53.513%0.12929%0.287CS..EExtended strand (participates in β ladder)trans-132.5158.4173.9-66.5-99.6000109.9I557 I558 S560 D643 L664 L665 R666I557-Y645 HydrophobicContact CG2-CD2 3.64Å; I557-Y645 HydrophobicContact CG2-CE2 3.9Å; I558-Y645 PolarHBondContact O-N 2.98Å; S560-Y645 PolarHBondContact N-O 3.24Å; S560-Y645 PolarHBondContact OG-O 3.29Å; S560-Y645 VanDerWaalsContact OG-O 3.08Å; D643-Y645 HydrophobicContact CB-CD2 4.41Å; D643-Y645 HydrophobicContact CB-CE2 3.75Å; Y645-L664 HydrophobicContact CD1-CD2 3.9Å; Y645-L664 HydrophobicContact CD1-CG 4.03Å; Y645-L664 HydrophobicContact CG-CD2 4.13Å; Y645-L664 HydrophobicContact CG-CG 4.32Å; Y645-L665 CarbonylContact C-O 3.56Å; Y645-L665 VanDerWaalsContact CA-O 3.24Å; Y645-L665 WeakPolarHBondContact CA-O 3.25Å; Y645-R666 HydrophobicContact CD1-CB 4.11Å; Y645-R666 HydrophobicContact CD1-CG 4.43Å; Y645-R666 HydrophobicContact CE1-CB 3.91Å; Y645-R666 HydrophobicContact CE1-CG 4.05Å
646H90.6Very high79.1Confident22 Ų2257.2 Ų57.210%0.10230%0.303CS..EExtended strand (participates in β ladder)trans-143147.8173.966.2-85.1000111.8S560 L665 G667 H669S560-H646 CarbonylContact O-C 3.58Å; S560-H646 VanDerWaalsContact O-CA 3.23Å; S560-H646 WeakPolarHBondContact O-CA 3.42Å; S560-H646 VanDerWaalsContact OG-CB 3.27Å; S560-H646 WeakPolarHBondContact OG-CB 3.45Å; H646-L665 PolarHBondContact N-O 3.27Å; H646-L665 PolarHBondContact O-N 2.79Å; H646-G667 PolarHBondContact ND1-O 3.37Å; H646-H669 HydrophobicContact CB-CB 3.87Å; H646-H669 AromaticContact CD2-ND1 3.34Å; H646-H669 PolarHBondContact CD2-ND1 3.02Å; H646-H669 VanDerWaalsContact CD2-ND1 3.34Å; H646-H669 AromaticContact NE2-ND1 3.8Å
647F89.9Confident78.6Confident2 Ų263.2 Ų63.21%0.00933%0.328CS..EExtended strand (participates in β ladder)trans-77.9132.6168.8-80.3-85.6000110.9I559 S560 S565 K567 Y570 H662 K663 L664I559-F647 HydrophobicContact CG2-CD2 4.04Å; I559-F647 HydrophobicContact CG2-CE2 3.72Å; S560-F647 PolarHBondContact O-N 2.85Å; S565-F647 WeakPolarHBondContact O-CD1 3.42Å; K567-F647 HydrophobicContact CB-CE2 4.29Å; K567-F647 HydrophobicContact CG-CD2 3.64Å; K567-F647 HydrophobicContact CG-CE2 3.9Å; Y570-F647 HydrophobicContact CD2-CZ 4.23Å; Y570-F647 HydrophobicContact CG-CZ 4.16Å; F647-H662 WeakPolarHBondContact CE1-O 3.5Å; F647-K663 WeakPolarHBondContact CA-O 3.16Å; F647-L664 HydrophobicContact CD2-CD1 3.84Å; F647-L664 HydrophobicContact CE1-CB 4.29Å; F647-L664 HydrophobicContact CE1-CD1 4.38Å; F647-L664 HydrophobicContact CE2-CD1 3.64Å; F647-L664 HydrophobicContact CG-CD1 4.31Å; F647-L664 HydrophobicContact CZ-CB 4.42Å; F647-L664 HydrophobicContact CZ-CD1 3.92Å
648E86.8Confident78.7Confident81 Ų8160.9 Ų60.938%0.37932%0.322SS..EExtended strand (participates in β ladder)trans-69.2129.4173.6178.5-175.8-129.700110.7S661 K663 L665E648-S661 WeakPolarHBondContact CB-OG 3.23Å; E648-S661 PolarHBondContact O-N 2.8Å; E648-S661 PolarHBondContact O-OG 2.93Å; E648-S661 WeakPolarHBondContact OE2-CB 3.39Å; E648-S661 PolarHBondContact OE2-OG 2.91Å; E648-K663 PolarHBondContact N-O 2.6Å; E648-L665 HydrophobicContact CB-CD1 3.84Å; E648-L665 HydrophobicContact CB-CG 4.25Å; E648-L665 HydrophobicContact CG-CD1 4.27Å
649A82.4Confident78.9Confident13 Ų1362.4 Ų62.411%0.10733%0.327CS..EExtended strand (participates in β ladder)trans-142.5139.9174.200000108.9P562 L658 T660P562-A649 HydrophobicContact CG-CB 3.45Å; P562-A649 VanDerWaalsContact CG-CB 3.45Å; A649-L658 HydrophobicContact CB-CD1 4.34Å; A649-T660 HydrophobicContact CB-CG2 4.19Å
650S78.3Confident79.1Confident63 Ų6357.5 Ų57.544%0.44131%0.311SS..EExtended strand (participates in β ladder)trans-129.2140.3177.657.40000109.6Q659S650-Q659 PolarHBondContact N-O 3.05Å; S650-Q659 PolarHBondContact O-N 2.86Å
651F73.4Confident79.7Confident49 Ų4957.8 Ų57.822%0.21531%0.314CS..EExtended strand (participates in β ladder)trans-84.9122.6171.4-168.3-100.4000109.8E677 I681F651-E677 WeakPolarHBondContact CB-OE2 3.45Å; F651-E677 HydrophobicContact CD2-CB 3.92Å; F651-E677 HydrophobicContact CE2-CB 3.88Å; F651-E677 HydrophobicContact CG-CB 4.27Å; F651-E677 HydrophobicContact CG-CG 4.43Å; F651-E677 HydrophobicContact CZ-CB 4.19Å; F651-I681 HydrophobicContact CE2-CD1 3.38Å; F651-I681 HydrophobicContact CZ-CD1 3.52Å; F651-I681 HydrophobicContact CZ-CG1 4.27Å
652N73.8Confident80.2Confident54 Ų5456.3 Ų56.329%0.28931%0.311SS..EExtended strand (participates in β ladder)trans-94.6100.2175.7-176.1-15.7000109.5A654 T655 E656 K657N652-A654 PolarHBondContact O-N 3.37Å; N652-A654 VanDerWaalsContact O-N 3.09Å; N652-A654 WeakPolarHBondContact OD1-CB 3.27Å; N652-A654 PolarHBondContact OD1-N 3.01Å; N652-A654 VanDerWaalsContact OD1-N 3.1Å; N652-T655 WeakPolarHBondContact CB-OG1 2.94Å; N652-T655 PolarHBondContact O-N 3.39Å; N652-T655 PolarHBondContact O-OG1 3.25Å; N652-E656 PolarHBondContact O-N 3.23Å; N652-K657 PolarHBondContact N-O 2.73Å; N652-K657 VanDerWaalsContact N-O 3.13Å
653S70Confident80.4Confident100 Ų10061.1 Ų61.170%0.69933%0.331SS*.THydrogen-bonded Turntrans-56.5-25.3-178.1-41.70000113.9
654A67.9Low80.6Confident93 Ų9361.9 Ų61.977%0.76934%0.335SS*.THydrogen-bonded Turntrans-79.7-26.4-179.800000113.3N652N652-A654 PolarHBondContact O-N 3.37Å; N652-A654 VanDerWaalsContact O-N 3.09Å; N652-A654 WeakPolarHBondContact OD1-CB 3.27Å; N652-A654 PolarHBondContact OD1-N 3.01Å; N652-A654 VanDerWaalsContact OD1-N 3.1Å
655T68.4Low80.6Confident75 Ų7564.7 Ų64.746%0.4635%0.349SS..THydrogen-bonded Turntrans-108.8-4.4-177.559.50000113.1N652 K657N652-T655 WeakPolarHBondContact CB-OG1 2.94Å; N652-T655 PolarHBondContact O-N 3.39Å; N652-T655 PolarHBondContact O-OG1 3.25Å; T655-K657 WeakPolarHBondContact O-CG 2.89Å; T655-K657 PolarHBondContact O-N 3.31Å; T655-K657 VanDerWaalsContact O-N 3.13Å
656E69Low80.3Confident130 Ų13069 Ų6961%0.60737%0.365SS*.THydrogen-bonded Turntrans48.537.5-173.4-62.4-177.6171.100112N652 I681N652-E656 PolarHBondContact O-N 3.23Å; E656-I681 HydrophobicContact CB-CD1 4.36Å; E656-I681 HydrophobicContact CB-CG1 4.27Å; E656-I681 WeakPolarHBondContact O-CD1 3.36Å
657K68.8Low80Confident148 Ų14868.9 Ų68.964%0.64337%0.37SS*.EExtended strand (participates in β ladder)trans-127.8139.3-179.4-77179.5-177.3-1790110.7N652 T655 Q659N652-K657 PolarHBondContact N-O 2.73Å; N652-K657 VanDerWaalsContact N-O 3.13Å; T655-K657 WeakPolarHBondContact O-CG 2.89Å; T655-K657 PolarHBondContact O-N 3.31Å; T655-K657 VanDerWaalsContact O-N 3.13Å; K657-Q659 PolarHBondContact O-N 2.63Å
658L74.2Confident79.4Confident42 Ų4270.9 Ų70.922%0.2238%0.381CS..EExtended strand (participates in β ladder)trans-68116.3165.8-170.681.9000108.3P562 A649 T660 Y674P562-L658 HydrophobicContact CB-CD2 3.75Å; P562-L658 HydrophobicContact CG-CD2 3.97Å; A649-L658 HydrophobicContact CB-CD1 4.34Å; L658-T660 HydrophobicContact CD2-CG2 4.12Å; L658-T660 HydrophobicContact CG-CG2 4.48Å; L658-Y674 HydrophobicContact CD1-CD1 4.49Å; L658-Y674 HydrophobicContact CD1-CG 4.1Å
659Q79.4Confident78.9Confident113 Ų11368.2 Ų68.253%0.52837%0.368SS..EExtended strand (participates in β ladder)trans-100.5115.2175.1-167.6170.9-0.200108.7S650 K657S650-Q659 PolarHBondContact N-O 3.05Å; S650-Q659 PolarHBondContact O-N 2.86Å; K657-Q659 PolarHBondContact O-N 2.63Å
660T81.7Confident78Confident30 Ų3072.5 Ų72.518%0.18440%0.403CS..EExtended strand (participates in β ladder)trans-96.8124.1176.452.30000108.9P562 A649 L658 H662P562-T660 HydrophobicContact CG-CG2 4.49Å; A649-T660 HydrophobicContact CB-CG2 4.19Å; L658-T660 HydrophobicContact CD2-CG2 4.12Å; L658-T660 HydrophobicContact CG-CG2 4.48Å; T660-H662 PolarHBondContact O-N 2.8Å; T660-H662 PolarHBondContact OG1-CE1 2.92Å; T660-H662 PolarHBondContact OG1-NE2 3.27Å
661S85.2Confident77.2Confident44 Ų4470.9 Ų70.931%0.30840%0.397SS..EExtended strand (participates in β ladder)trans-78-9.8175.467.40000112.3E648 K663E648-S661 WeakPolarHBondContact CB-OG 3.23Å; E648-S661 PolarHBondContact O-N 2.8Å; E648-S661 PolarHBondContact O-OG 2.93Å; E648-S661 WeakPolarHBondContact OE2-CB 3.39Å; E648-S661 PolarHBondContact OE2-OG 2.91Å; S661-K663 PolarHBondContact O-N 3.49Å; S661-K663 VanDerWaalsContact O-N 3.12Å; S661-K663 PolarHBondContact OG-N 3.35Å
662H89.3Confident76.4Confident74 Ų7472 Ų7234%0.34341%0.409SS..EExtended strand (participates in β ladder)trans58.916.2-174.3-55.7-64.8000114.1V544 N546 M564 S565 F647 T660V544-H662 HydrophobicContact CB-CB 4.06Å; V544-H662 HydrophobicContact CG2-CB 4.25Å; N546-H662 PolarHBondContact ND2-O 3.4Å; N546-H662 PolarHBondContact OD1-O 2.92Å; M564-H662 PolarHBondContact O-CE1 3.1Å; M564-H662 VanDerWaalsContact O-CE1 3.31Å; S565-H662 PolarHBondContact O-ND1 2.9Å; F647-H662 WeakPolarHBondContact CE1-O 3.5Å; T660-H662 PolarHBondContact O-N 2.8Å; T660-H662 PolarHBondContact OG1-CE1 2.92Å; T660-H662 PolarHBondContact OG1-NE2 3.27Å
663K90.7Very high76Confident113 Ų11372.1 Ų72.149%0.49141%0.408SS..EExtended strand (participates in β ladder)trans-94128.9178.2-167.7169.8-175.5177.30110.9N546 F647 E648 S661 L665N546-K663 WeakPolarHBondContact OD1-CA 3.38Å; F647-K663 WeakPolarHBondContact CA-O 3.16Å; E648-K663 PolarHBondContact N-O 2.6Å; S661-K663 PolarHBondContact O-N 3.49Å; S661-K663 VanDerWaalsContact O-N 3.12Å; S661-K663 PolarHBondContact OG-N 3.35Å; K663-L665 HydrophobicContact CD-CD2 4.46Å; K663-L665 HydrophobicContact CG-CD2 4.32Å
664L91.8Very high76Confident21 Ų2169 Ų6911%0.1138%0.381CS..EExtended strand (participates in β ladder)trans-85.1125.4175.7-168.373.9000109.9N546 I559 Y570 Y645 F647N546-L664 HydrophobicContact CB-CB 4.47Å; N546-L664 WeakPolarHBondContact OD1-CB 2.88Å; N546-L664 PolarHBondContact OD1-N 3.15Å; I559-L664 HydrophobicContact CG2-CD1 3.96Å; Y570-L664 HydrophobicContact CD2-CD2 4.32Å; Y570-L664 HydrophobicContact CE1-CD2 4.24Å; Y570-L664 HydrophobicContact CE2-CD2 3.62Å; Y645-L664 HydrophobicContact CD1-CD2 3.9Å; Y645-L664 HydrophobicContact CD1-CG 4.03Å; Y645-L664 HydrophobicContact CG-CD2 4.13Å; Y645-L664 HydrophobicContact CG-CG 4.32Å; F647-L664 HydrophobicContact CD2-CD1 3.84Å; F647-L664 HydrophobicContact CE1-CB 4.29Å; F647-L664 HydrophobicContact CE1-CD1 4.38Å; F647-L664 HydrophobicContact CE2-CD1 3.64Å; F647-L664 HydrophobicContact CG-CD1 4.31Å; F647-L664 HydrophobicContact CZ-CB 4.42Å; F647-L664 HydrophobicContact CZ-CD1 3.92Å
665L89.6Confident76.3Confident58 Ų5866.8 Ų66.830%0.30437%0.367SS..EExtended strand (participates in β ladder)trans-115146.3177.7-59.3-179.3000110.2Y645 H646 E648 K663Y645-L665 CarbonylContact C-O 3.56Å; Y645-L665 VanDerWaalsContact CA-O 3.24Å; Y645-L665 WeakPolarHBondContact CA-O 3.25Å; H646-L665 PolarHBondContact N-O 3.27Å; H646-L665 PolarHBondContact O-N 2.79Å; E648-L665 HydrophobicContact CB-CD1 3.84Å; E648-L665 HydrophobicContact CB-CG 4.25Å; E648-L665 HydrophobicContact CG-CD1 4.27Å; K663-L665 HydrophobicContact CD-CD2 4.46Å; K663-L665 HydrophobicContact CG-CD2 4.32Å
666R86.2Confident76.8Confident124 Ų12464.9 Ų64.947%0.46835%0.353SS..EExtended strand (participates in β ladder)trans-77.6142.4176.1-169.4178.6-174-172.47.1110.7D643 Y645D643-R666 IonicContact OD1-CZ 4Å; D643-R666 IonicContact OD1-NE 2.67Å; D643-R666 IonicContact OD1-NH2 3.95Å; D643-R666 PolarHBondContact OD1-NH2 2.88Å; Y645-R666 HydrophobicContact CD1-CB 4.11Å; Y645-R666 HydrophobicContact CD1-CG 4.43Å; Y645-R666 HydrophobicContact CE1-CB 3.91Å; Y645-R666 HydrophobicContact CE1-CG 4.05Å
667G83.2Confident77Confident20 Ų2061 Ų6121%0.20633%0.334CS..SBendtrans106176.2174.500000113.3S644 H646S644-G667 WeakPolarHBondContact O-CA 3.18Å; S644-G667 PolarHBondContact O-N 3.14Å; H646-G667 PolarHBondContact ND1-O 3.37Å
668I76.5Confident77.2Confident44 Ų4457.6 Ų57.623%0.22632%0.323CS..  trans-75.2134178-56.3170.6000108.5A633 R637 A670A633-I668 HydrophobicContact CB-CG1 4.08Å; A633-I668 HydrophobicContact CB-CG2 4.18Å; R637-I668 HydrophobicContact CG-CD1 4.33Å; I668-A670 PolarHBondContact O-N 3.29Å
669H76.4Confident77.5Confident25 Ų2556.8 Ų56.812%0.11632%0.322CS..  trans-59.7122177.1-176.365.7000110.9L630 H646 G671 Y674L630-H669 HydrophobicContact CD2-CB 3.99Å; H646-H669 HydrophobicContact CB-CB 3.87Å; H646-H669 AromaticContact CD2-ND1 3.34Å; H646-H669 PolarHBondContact CD2-ND1 3.02Å; H646-H669 VanDerWaalsContact CD2-ND1 3.34Å; H646-H669 AromaticContact NE2-ND1 3.8Å; H669-G671 WeakPolarHBondContact NE2-CA 3.37Å; H669-G671 PolarHBondContact NE2-N 2.86Å; H669-Y674 AromaticContact NE2-CE1 3.51Å
670A64.6Low77.4Confident102 Ų10255 Ų5584%0.84331%0.314SS*.  trans-109.49179.400000113.3I668I668-A670 PolarHBondContact O-N 3.29Å
671G61.5Low77.2Confident30 Ų3056.7 Ų56.731%0.30932%0.321SS..SBendtrans-80.6177.7-172.900000115.2H669H669-G671 WeakPolarHBondContact NE2-CA 3.37Å; H669-G671 PolarHBondContact NE2-N 2.86Å
672P56.9Low77Confident72 Ų7257.7 Ų57.747%0.46833%0.332SS..  trans-61.6143.5178.225.6-32.5000111.1Y674P672-Y674 VanDerWaalsContact C-N 3.29Å; P672-Y674 VanDerWaalsContact O-CD1 3.22Å; P672-Y674 WeakPolarHBondContact O-CD1 3.42Å; P672-Y674 PolarHBondContact O-N 3.12Å
673E65.1Low76.6Confident56 Ų5662.5 Ų62.526%0.26236%0.357SS..  trans-76.284.6177.8-67.4-168.5-17200110.1G675 F676 L696 R700E673-G675 PolarHBondContact O-N 3.45Å; E673-F676 HydrophobicContact CB-CD2 3.93Å; E673-F676 HydrophobicContact CB-CE2 4.05Å; E673-F676 PolarHBondContact O-N 2.9Å; E673-F676 VanDerWaalsContact O-N 3.1Å; E673-F676 VanDerWaalsContact OE2-CE2 3.25Å; E673-F676 WeakPolarHBondContact OE2-CE2 3.48Å; E673-L696 WeakPolarHBondContact OE1-CD2 3.48Å; E673-L696 WeakPolarHBondContact OE2-CD1 3.3Å; E673-L696 WeakPolarHBondContact OE2-CD2 3.47Å; E673-R700 IonicContact OE1-CZ 2.78Å; E673-R700 IonicContact OE1-NE 2.98Å; E673-R700 IonicContact OE1-NH2 3.37Å; E673-R700 PolarHBondContact OE1-NH2 3.35Å
674Y70.2Confident76.2Confident36 Ų3662.6 Ų62.614%0.14136%0.357CS..Hα-helixtrans-55.1-15.4179.436.3-99.1000114.8P562 L658 H669 P672 F676 E677 L678P562-Y674 HydrophobicContact CB-CD2 3.98Å; P562-Y674 HydrophobicContact CB-CE2 3.56Å; P562-Y674 WeakPolarHBondContact CD-OH 3.35Å; P562-Y674 HydrophobicContact CG-CE1 4.22Å; P562-Y674 HydrophobicContact CG-CE2 4.13Å; L658-Y674 HydrophobicContact CD1-CD1 4.49Å; L658-Y674 HydrophobicContact CD1-CG 4.1Å; H669-Y674 AromaticContact NE2-CE1 3.51Å; P672-Y674 VanDerWaalsContact C-N 3.29Å; P672-Y674 VanDerWaalsContact O-CD1 3.22Å; P672-Y674 WeakPolarHBondContact O-CD1 3.42Å; P672-Y674 PolarHBondContact O-N 3.12Å; Y674-F676 VanDerWaalsContact C-N 3.27Å; Y674-F676 PolarHBondContact O-N 2.95Å; Y674-E677 VanDerWaalsContact CA-OE2 3.3Å; Y674-E677 WeakPolarHBondContact CA-OE2 3.24Å; Y674-E677 PolarHBondContact O-N 2.76Å; Y674-L678 WeakPolarHBondContact O-CB 3.28Å; Y674-L678 VanDerWaalsContact O-CG 3.3Å; Y674-L678 WeakPolarHBondContact O-CG 3.44Å; Y674-L678 PolarHBondContact O-N 2.94Å
675G74.5Confident76Confident46 Ų4665.4 Ų65.447%0.47438%0.376SS..Hα-helixtrans-58.5-37.8173.400000112.9E673 A679E673-G675 PolarHBondContact O-N 3.45Å; G675-A679 WeakPolarHBondContact O-CB 3.46Å; G675-A679 PolarHBondContact O-N 3.23Å
676F77.4Confident75.8Confident35 Ų3567.5 Ų67.515%0.15439%0.385CS..Hα-helixtrans-73.2-42.8177.1-62.1-62.8000111.8E673 Y674 L678 A679 E680 I689 A692 K693 L696E673-F676 HydrophobicContact CB-CD2 3.93Å; E673-F676 HydrophobicContact CB-CE2 4.05Å; E673-F676 PolarHBondContact O-N 2.9Å; E673-F676 VanDerWaalsContact O-N 3.1Å; E673-F676 VanDerWaalsContact OE2-CE2 3.25Å; E673-F676 WeakPolarHBondContact OE2-CE2 3.48Å; Y674-F676 VanDerWaalsContact C-N 3.27Å; Y674-F676 PolarHBondContact O-N 2.95Å; F676-L678 VanDerWaalsContact C-N 3.33Å; F676-L678 PolarHBondContact O-N 2.9Å; F676-A679 WeakPolarHBondContact O-CB 3.4Å; F676-A679 PolarHBondContact O-N 2.8Å; F676-A679 VanDerWaalsContact O-N 3.11Å; F676-E680 WeakPolarHBondContact O-CG 3.33Å; F676-E680 PolarHBondContact O-N 3.4Å; F676-I689 HydrophobicContact CB-CG2 4.43Å; F676-I689 HydrophobicContact CD1-CG2 4.2Å; F676-A692 HydrophobicContact CE1-CB 3.72Å; F676-K693 HydrophobicContact CD1-CG 3.78Å; F676-K693 HydrophobicContact CD2-CG 4.11Å; F676-K693 HydrophobicContact CE1-CB 4.5Å; F676-K693 HydrophobicContact CE1-CG 3.75Å; F676-K693 HydrophobicContact CE2-CG 4.06Å; F676-K693 HydrophobicContact CG-CG 3.97Å; F676-K693 HydrophobicContact CZ-CB 4.48Å; F676-K693 HydrophobicContact CZ-CG 3.89Å; F676-L696 HydrophobicContact CE2-CD2 4.16Å; F676-L696 HydrophobicContact CZ-CB 4.25Å; F676-L696 HydrophobicContact CZ-CD1 4.45Å; F676-L696 HydrophobicContact CZ-CD2 4.41Å
677E72.9Confident76Confident47 Ų4769 Ų6922%0.2240%0.397CS..Hα-helixtrans-62.3-41.7178.5-66.1151.1-175.400110.8F651 Y674 E680 I681F651-E677 WeakPolarHBondContact CB-OE2 3.45Å; F651-E677 HydrophobicContact CD2-CB 3.92Å; F651-E677 HydrophobicContact CE2-CB 3.88Å; F651-E677 HydrophobicContact CG-CB 4.27Å; F651-E677 HydrophobicContact CG-CG 4.43Å; F651-E677 HydrophobicContact CZ-CB 4.19Å; Y674-E677 VanDerWaalsContact CA-OE2 3.3Å; Y674-E677 WeakPolarHBondContact CA-OE2 3.24Å; Y674-E677 PolarHBondContact O-N 2.76Å; E677-E680 PolarHBondContact O-N 3.33Å; E677-I681 WeakPolarHBondContact O-CD1 3.44Å; E677-I681 WeakPolarHBondContact O-CG1 3.19Å; E677-I681 PolarHBondContact O-N 3.05Å; E677-I681 VanDerWaalsContact O-N 3.09Å
678L74.7Confident76.3Confident78 Ų7871.5 Ų71.541%0.40841%0.408SS..Hα-helixtrans-64.7-37.2172.5-75.2165.1000112.6Y674 F676 I681 A682Y674-L678 WeakPolarHBondContact O-CB 3.28Å; Y674-L678 VanDerWaalsContact O-CG 3.3Å; Y674-L678 WeakPolarHBondContact O-CG 3.44Å; Y674-L678 PolarHBondContact O-N 2.94Å; F676-L678 VanDerWaalsContact C-N 3.33Å; F676-L678 PolarHBondContact O-N 2.9Å; L678-I681 PolarHBondContact O-N 3.12Å; L678-A682 VanDerWaalsContact O-CB 3.3Å; L678-A682 WeakPolarHBondContact O-CB 3.36Å; L678-A682 PolarHBondContact O-N 3.29Å
679A79.3Confident76.7Confident24 Ų2469.6 Ų69.620%0.19840%0.399CS..Hα-helixtrans-68.2-38176.200000112G675 F676 A682 M683 F684 I689G675-A679 WeakPolarHBondContact O-CB 3.46Å; G675-A679 PolarHBondContact O-N 3.23Å; F676-A679 WeakPolarHBondContact O-CB 3.4Å; F676-A679 PolarHBondContact O-N 2.8Å; F676-A679 VanDerWaalsContact O-N 3.11Å; A679-A682 PolarHBondContact O-N 3.37Å; A679-M683 PolarHBondContact O-N 2.91Å; A679-F684 HydrophobicContact CB-CB 4.36Å; A679-F684 HydrophobicContact CB-CD2 4.46Å; A679-F684 HydrophobicContact CB-CG 4.47Å; A679-F684 WeakPolarHBondContact O-CB 3.3Å; A679-F684 PolarHBondContact O-N 3.22Å; A679-I689 HydrophobicContact CB-CD1 4.2Å; A679-I689 HydrophobicContact CB-CG1 4.31Å
680E78.1Confident77.2Confident76 Ų7672.2 Ų72.236%0.35541%0.414SS..Hα-helixtrans-61.3-44.8174-72.1176.3-163.800110.5F676 E677 M683 I689 K693F676-E680 WeakPolarHBondContact O-CG 3.33Å; F676-E680 PolarHBondContact O-N 3.4Å; E677-E680 PolarHBondContact O-N 3.33Å; E680-M683 PolarHBondContact O-N 3.43Å; E680-I689 HydrophobicContact CB-CD1 4.17Å; E680-I689 HydrophobicContact CG-CD1 3.44Å; E680-I689 VanDerWaalsContact CG-CD1 3.44Å; E680-I689 HydrophobicContact CG-CG2 4.15Å; E680-K693 IonicContact OE1-NZ 2.63Å; E680-K693 PolarHBondContact OE1-NZ 3.01Å
681I76.4Confident78.4Confident66 Ų6672 Ų7234%0.33840%0.398SS..Hα-helixtrans-65.6-39.5175.4-64.1159.1000112.2F651 E656 E677 L678 M683F651-I681 HydrophobicContact CE2-CD1 3.38Å; F651-I681 HydrophobicContact CZ-CD1 3.52Å; F651-I681 HydrophobicContact CZ-CG1 4.27Å; E656-I681 HydrophobicContact CB-CD1 4.36Å; E656-I681 HydrophobicContact CB-CG1 4.27Å; E656-I681 WeakPolarHBondContact O-CD1 3.36Å; E677-I681 WeakPolarHBondContact O-CD1 3.44Å; E677-I681 WeakPolarHBondContact O-CG1 3.19Å; E677-I681 PolarHBondContact O-N 3.05Å; E677-I681 VanDerWaalsContact O-N 3.09Å; L678-I681 PolarHBondContact O-N 3.12Å; I681-M683 PolarHBondContact O-N 2.77Å
682A81.9Confident79.6Confident65 Ų6572.5 Ų72.554%0.53740%0.4SS..THydrogen-bonded Turntrans-70.58.7176.800000113.2L678 A679 F684L678-A682 VanDerWaalsContact O-CB 3.3Å; L678-A682 WeakPolarHBondContact O-CB 3.36Å; L678-A682 PolarHBondContact O-N 3.29Å; A679-A682 PolarHBondContact O-N 3.37Å; A682-F684 VanDerWaalsContact C-N 3.26Å; A682-F684 HydrophobicContact CB-CD2 4.01Å; A682-F684 HydrophobicContact CB-CE2 4.29Å; A682-F684 PolarHBondContact O-N 2.85Å
683M81.3Confident80.9Confident175 Ų17572.6 Ų72.686%0.86239%0.393SS*.THydrogen-bonded Turntrans57.834.6178.6-62.4-165.5154.500113.5A679 E680 I681A679-M683 PolarHBondContact O-N 2.91Å; E680-M683 PolarHBondContact O-N 3.43Å; I681-M683 PolarHBondContact O-N 2.77Å
684F82Confident81.9Confident115 Ų11575.3 Ų75.350%0.50441%0.405SS..  trans-63.6145.7168.9-90.1-105.5000110.5A679 A682 Q686 V688 I689A679-F684 HydrophobicContact CB-CB 4.36Å; A679-F684 HydrophobicContact CB-CD2 4.46Å; A679-F684 HydrophobicContact CB-CG 4.47Å; A679-F684 WeakPolarHBondContact O-CB 3.3Å; A679-F684 PolarHBondContact O-N 3.22Å; A682-F684 VanDerWaalsContact C-N 3.26Å; A682-F684 HydrophobicContact CB-CD2 4.01Å; A682-F684 HydrophobicContact CB-CE2 4.29Å; A682-F684 PolarHBondContact O-N 2.85Å; F684-Q686 PolarHBondContact O-N 2.66Å; F684-V688 HydrophobicContact CD1-CG1 4.4Å; F684-I689 HydrophobicContact CB-CD1 3.96Å; F684-I689 HydrophobicContact CB-CG1 4.04Å
685P87.3Confident82.7Confident79 Ų7978.7 Ų78.751%0.51343%0.425SS..  trans-57.7132.2176.9-22.732.2000111.2E687 V688 I689P685-E687 PolarHBondContact O-N 3.43Å; P685-E687 VanDerWaalsContact O-N 3.13Å; P685-V688 HydrophobicContact CB-CG2 4.08Å; P685-V688 HydrophobicContact CG-CG2 4.23Å; P685-V688 WeakPolarHBondContact O-CB 3.49Å; P685-V688 PolarHBondContact O-N 3.09Å; P685-I689 PolarHBondContact O-N 3.4Å
686Q86.3Confident83Confident102 Ų10278.8 Ų78.848%0.47741%0.414SS..Hα-helixtrans-57.7-31.1-178.1-74.6-65.3-13.400112.9F684 V688 I689 N690F684-Q686 PolarHBondContact O-N 2.66Å; Q686-V688 VanDerWaalsContact C-N 3.33Å; Q686-V688 PolarHBondContact O-N 3.25Å; Q686-I689 PolarHBondContact O-N 3.42Å; Q686-N690 WeakPolarHBondContact O-CB 3.42Å; Q686-N690 PolarHBondContact O-N 2.93Å; Q686-N690 PolarHBondContact O-ND2 3Å
687E88.8Confident83.1Confident155 Ų15583.3 Ų83.372%0.72444%0.436SS*.Hα-helixtrans-60.5-41.1172.8-70.3-176168.500112.6P685 N691P685-E687 PolarHBondContact O-N 3.43Å; P685-E687 VanDerWaalsContact O-N 3.13Å; E687-N691 VanDerWaalsContact O-CB 3.28Å; E687-N691 WeakPolarHBondContact O-CB 3.32Å; E687-N691 PolarHBondContact O-N 3.17Å; E687-N691 PolarHBondContact O-ND2 3.28Å
688V89.7Confident83.5Confident74 Ų7488.2 Ų88.245%0.44846%0.457SS..Hα-helixtrans-66.6-43.1178.4177.50000110.1F684 P685 Q686 N691 A692F684-V688 HydrophobicContact CD1-CG1 4.4Å; P685-V688 HydrophobicContact CB-CG2 4.08Å; P685-V688 HydrophobicContact CG-CG2 4.23Å; P685-V688 WeakPolarHBondContact O-CB 3.49Å; P685-V688 PolarHBondContact O-N 3.09Å; Q686-V688 VanDerWaalsContact C-N 3.33Å; Q686-V688 PolarHBondContact O-N 3.25Å; V688-N691 PolarHBondContact O-N 2.93Å; V688-A692 WeakPolarHBondContact O-CB 3.18Å; V688-A692 PolarHBondContact O-N 3.26Å
689I86.5Confident83.6Confident4 Ų489.2 Ų89.22%0.02146%0.462CS..Hα-helixtrans-64.9-45.1179.7-57.9178.7000110.3F676 A679 E680 F684 P685 Q686 A692 K693F676-I689 HydrophobicContact CB-CG2 4.43Å; F676-I689 HydrophobicContact CD1-CG2 4.2Å; A679-I689 HydrophobicContact CB-CD1 4.2Å; A679-I689 HydrophobicContact CB-CG1 4.31Å; E680-I689 HydrophobicContact CB-CD1 4.17Å; E680-I689 HydrophobicContact CG-CD1 3.44Å; E680-I689 VanDerWaalsContact CG-CD1 3.44Å; E680-I689 HydrophobicContact CG-CG2 4.15Å; F684-I689 HydrophobicContact CB-CD1 3.96Å; F684-I689 HydrophobicContact CB-CG1 4.04Å; P685-I689 PolarHBondContact O-N 3.4Å; Q686-I689 PolarHBondContact O-N 3.42Å; I689-A692 PolarHBondContact O-N 2.61Å; I689-K693 HydrophobicContact CG2-CD 4.38Å; I689-K693 WeakPolarHBondContact O-CG 3.45Å; I689-K693 PolarHBondContact O-N 2.64Å
690N86.8Confident83.2Confident80 Ų8094.6 Ų94.643%0.42848%0.477SS..Hα-helixtrans-64.1-42.7177.1-71.8-25000112.2Q686 A692 K693 Q694Q686-N690 WeakPolarHBondContact O-CB 3.42Å; Q686-N690 PolarHBondContact O-N 2.93Å; Q686-N690 PolarHBondContact O-ND2 3Å; N690-A692 VanDerWaalsContact C-N 3.32Å; N690-A692 PolarHBondContact O-N 3.07Å; N690-K693 PolarHBondContact O-N 2.65Å; N690-Q694 WeakPolarHBondContact O-CG 3.48Å; N690-Q694 PolarHBondContact O-N 2.82Å
691N89.3Confident82.7Confident97 Ų9796 Ų9652%0.51949%0.487SS..Hα-helixtrans-61.4-42.4174.7-75.8-21.8000111.4E687 V688 Q694 L695E687-N691 VanDerWaalsContact O-CB 3.28Å; E687-N691 WeakPolarHBondContact O-CB 3.32Å; E687-N691 PolarHBondContact O-N 3.17Å; E687-N691 PolarHBondContact O-ND2 3.28Å; V688-N691 PolarHBondContact O-N 2.93Å; N691-Q694 PolarHBondContact O-N 2.77Å; N691-L695 WeakPolarHBondContact O-CB 3.24Å; N691-L695 PolarHBondContact O-N 2.8Å
692A86.3Confident82.2Confident41 Ų41100.3 Ų100.334%0.33950%0.503SS..Hα-helixtrans-65-42.2177.300000112.1F676 V688 I689 N690 Q694 L695 L696F676-A692 HydrophobicContact CE1-CB 3.72Å; V688-A692 WeakPolarHBondContact O-CB 3.18Å; V688-A692 PolarHBondContact O-N 3.26Å; I689-A692 PolarHBondContact O-N 2.61Å; N690-A692 VanDerWaalsContact C-N 3.32Å; N690-A692 PolarHBondContact O-N 3.07Å; A692-Q694 PolarHBondContact O-N 2.91Å; A692-L695 PolarHBondContact O-N 3.5Å; A692-L696 WeakPolarHBondContact O-CB 3.32Å; A692-L696 PolarHBondContact O-N 2.88Å
693K85.1Confident81.2Confident74 Ų74101.1 Ų101.132%0.32250%0.495SS..Hα-helixtrans-58.1-45.7173.2-73.8175.5-176.7167.90111.5F676 E680 I689 N690 L695 L696 E697F676-K693 HydrophobicContact CD1-CG 3.78Å; F676-K693 HydrophobicContact CD2-CG 4.11Å; F676-K693 HydrophobicContact CE1-CB 4.5Å; F676-K693 HydrophobicContact CE1-CG 3.75Å; F676-K693 HydrophobicContact CE2-CG 4.06Å; F676-K693 HydrophobicContact CG-CG 3.97Å; F676-K693 HydrophobicContact CZ-CB 4.48Å; F676-K693 HydrophobicContact CZ-CG 3.89Å; E680-K693 IonicContact OE1-NZ 2.63Å; E680-K693 PolarHBondContact OE1-NZ 3.01Å; I689-K693 HydrophobicContact CG2-CD 4.38Å; I689-K693 WeakPolarHBondContact O-CG 3.45Å; I689-K693 PolarHBondContact O-N 2.64Å; N690-K693 PolarHBondContact O-N 2.65Å; K693-L695 PolarHBondContact O-N 3.5Å; K693-L696 PolarHBondContact O-N 2.88Å; K693-E697 PolarHBondContact O-N 3.19Å; K693-E697 VanDerWaalsContact O-N 3.09Å
694Q85.9Confident80Confident112 Ų112100 Ų10052%0.52349%0.485SS..Hα-helixtrans-63.1-39.6176.2-74.2-175.9500113.1N690 N691 A692 L696 E697 K698N690-Q694 WeakPolarHBondContact O-CG 3.48Å; N690-Q694 PolarHBondContact O-N 2.82Å; N691-Q694 PolarHBondContact O-N 2.77Å; A692-Q694 PolarHBondContact O-N 2.91Å; Q694-L696 VanDerWaalsContact C-N 3.34Å; Q694-E697 PolarHBondContact O-N 3.46Å; Q694-K698 WeakPolarHBondContact O-CG 3.46Å; Q694-K698 PolarHBondContact O-N 3.35Å
695L86.4Confident78.6Confident108 Ų108103.1 Ų103.157%0.56550%0.498SS*.Hα-helixtrans-67.8-38.4-179.6-146.2146.6000110.9N691 A692 K693 K698 L699N691-L695 WeakPolarHBondContact O-CB 3.24Å; N691-L695 PolarHBondContact O-N 2.8Å; A692-L695 PolarHBondContact O-N 3.5Å; K693-L695 PolarHBondContact O-N 3.5Å; L695-K698 WeakPolarHBondContact O-CB 3.46Å; L695-K698 PolarHBondContact O-N 3.06Å; L695-L699 HydrophobicContact CD2-CD1 4Å; L695-L699 HydrophobicContact CD2-CG 4.39Å; L695-L699 WeakPolarHBondContact O-CG 3.21Å; L695-L699 PolarHBondContact O-N 2.91Å
696L80.3Confident76.9Confident47 Ų47106.9 Ų106.925%0.24651%0.509CS..Hα-helixtrans-62.9-44.5173.7-173.2106.1000112.4E673 F676 A692 K693 Q694 K698 L699 R700E673-L696 WeakPolarHBondContact OE1-CD2 3.48Å; E673-L696 WeakPolarHBondContact OE2-CD1 3.3Å; E673-L696 WeakPolarHBondContact OE2-CD2 3.47Å; F676-L696 HydrophobicContact CE2-CD2 4.16Å; F676-L696 HydrophobicContact CZ-CB 4.25Å; F676-L696 HydrophobicContact CZ-CD1 4.45Å; F676-L696 HydrophobicContact CZ-CD2 4.41Å; A692-L696 WeakPolarHBondContact O-CB 3.32Å; A692-L696 PolarHBondContact O-N 2.88Å; K693-L696 PolarHBondContact O-N 2.88Å; Q694-L696 VanDerWaalsContact C-N 3.34Å; L696-K698 VanDerWaalsContact C-N 3.29Å; L696-K698 PolarHBondContact O-N 3.44Å; L696-L699 PolarHBondContact O-N 2.79Å; L696-L699 VanDerWaalsContact O-N 3.12Å; L696-R700 PolarHBondContact O-N 3.08Å
697E80.5Confident75.1Confident130 Ų130105.8 Ų105.861%0.60751%0.506SS*.Hα-helixtrans-58.7-42175.2-77.6-163.4156.100112K693 Q694 L699 R700 N701K693-E697 PolarHBondContact O-N 3.19Å; K693-E697 VanDerWaalsContact O-N 3.09Å; Q694-E697 PolarHBondContact O-N 3.46Å; E697-L699 VanDerWaalsContact C-N 3.33Å; E697-L699 PolarHBondContact O-N 2.87Å; E697-R700 PolarHBondContact O-N 2.88Å; E697-N701 PolarHBondContact O-N 3.49Å; E697-N701 PolarHBondContact O-ND2 2.72Å
698K81Confident73.2Confident151 Ų151105.1 Ų105.166%0.65750%0.503SS*.Hα-helixtrans-60.4-42174.8-72176-178.5173.70111.8Q694 L695 L696 K702Q694-K698 WeakPolarHBondContact O-CG 3.46Å; Q694-K698 PolarHBondContact O-N 3.35Å; L695-K698 WeakPolarHBondContact O-CB 3.46Å; L695-K698 PolarHBondContact O-N 3.06Å; L696-K698 VanDerWaalsContact C-N 3.29Å; L696-K698 PolarHBondContact O-N 3.44Å; K698-K702 PolarHBondContact O-N 2.83Å
699L77.1Confident71.2Confident99 Ų99111.2 Ų111.252%0.51852%0.524SS..Hα-helixtrans-67-42.2177.7-70.4170.8000112.2L695 L696 E697 N701 K702 K703L695-L699 HydrophobicContact CD2-CD1 4Å; L695-L699 HydrophobicContact CD2-CG 4.39Å; L695-L699 WeakPolarHBondContact O-CG 3.21Å; L695-L699 PolarHBondContact O-N 2.91Å; L696-L699 PolarHBondContact O-N 2.79Å; L696-L699 VanDerWaalsContact O-N 3.12Å; E697-L699 VanDerWaalsContact C-N 3.33Å; E697-L699 PolarHBondContact O-N 2.87Å; L699-N701 PolarHBondContact O-N 2.98Å; L699-K702 WeakPolarHBondContact O-CB 3.44Å; L699-K702 PolarHBondContact O-N 2.95Å; L699-K703 PolarHBondContact O-N 2.89Å; L699-K703 VanDerWaalsContact O-N 3.1Å
700R70.4Confident69.5Low136 Ų136117.2 Ų117.251%0.51356%0.556SS.*Hα-helixtrans-60.6-45176.1-80-177.5173.3-166.2-3.1112.1E673 L696 E697 K702 K703 K704E673-R700 IonicContact OE1-CZ 2.78Å; E673-R700 IonicContact OE1-NE 2.98Å; E673-R700 IonicContact OE1-NH2 3.37Å; E673-R700 PolarHBondContact OE1-NH2 3.35Å; L696-R700 PolarHBondContact O-N 3.08Å; E697-R700 PolarHBondContact O-N 2.88Å; R700-K702 PolarHBondContact O-N 3.23Å; R700-K703 PolarHBondContact O-N 3.44Å; R700-K704 PolarHBondContact O-N 3.44Å
701N68.7Low68.4Low106 Ų106114.2 Ų114.257%0.56754%0.541SS*.Hα-helixtrans-64.1-29.1178.1-74.3-18.9000112.5E697 L699E697-N701 PolarHBondContact O-N 3.49Å; E697-N701 PolarHBondContact O-ND2 2.72Å; L699-N701 PolarHBondContact O-N 2.98Å
702K65.4Low67.3Low156 Ų156111.1 Ų111.168%0.67853%0.527SS*.Hα-helixtrans-72.3-40.1174.6-141.1177.2-176.5-175.90112K698 L699 R700K698-K702 PolarHBondContact O-N 2.83Å; L699-K702 WeakPolarHBondContact O-CB 3.44Å; L699-K702 PolarHBondContact O-N 2.95Å; R700-K702 PolarHBondContact O-N 3.23Å
703K60.2Low66.5Low82 Ų82116.6 Ų116.636%0.35755%0.546SS..Hα-helixtrans-68.7-40.7177.9-91.7-178.7-179.61490114.4D631 L699 R700 K705 Q706 N707D631-K703 IonicContact OD1-NZ 3.56Å; D631-K703 PolarHBondContact OD1-NZ 2.99Å; D631-K703 IonicContact OD2-NZ 3.44Å; D631-K703 PolarHBondContact OD2-NZ 3.45Å; L699-K703 PolarHBondContact O-N 2.89Å; L699-K703 VanDerWaalsContact O-N 3.1Å; R700-K703 PolarHBondContact O-N 3.44Å; K703-K705 PolarHBondContact O-N 3.12Å; K703-Q706 PolarHBondContact O-N 3.31Å; K703-N707 PolarHBondContact O-N 3.33Å
704K57.3Low65.6Low151 Ų151115.8 Ų115.866%0.65754%0.544SS*.Hα-helixtrans-54.7-39.2178.4-84-173.7172.7-175.80112.2R700 Q706R700-K704 PolarHBondContact O-N 3.44Å; K704-Q706 PolarHBondContact O-N 3.1Å
705K52.2Low64.8Low181 Ų181113.8 Ų113.879%0.78753%0.532SS*.THydrogen-bonded Turntrans-70.4-10178.7-72.6-174.9174.6-176.20115.3K703K703-K705 PolarHBondContact O-N 3.12Å
706Q50Low64.3Low159 Ų159112.3 Ų112.374%0.74352%0.521SS*.THydrogen-bonded Turntrans-110.5-18.8-169.6-145.2157.83.800113.6K703 K704K703-Q706 PolarHBondContact O-N 3.31Å; K704-Q706 PolarHBondContact O-N 3.1Å
707N50.3Low64Low78 Ų78115.5 Ų115.542%0.41754%0.535SS..SBendtrans-99.114-175.5-85.4-8.3000114.9E634 K703E634-N707 PolarHBondContact OE1-ND2 3.05Å; E634-N707 PolarHBondContact OE2-ND2 2.84Å; K703-N707 PolarHBondContact O-N 3.33Å
708E47.3Very low63.5Low141 Ų141110.2 Ų110.266%0.65951%0.509SS*.SBendtrans-97.517.1-159.8-92176-178.300118.2
709K48.3Very low63.3Low203 Ų203103 Ų10388%0.88348%0.478SS*.SBendtrans-136.5-16.4174.3-80.3-172.4175.31750118.7
710D51.7Low63.6Low130 Ų130101.7 Ų101.770%0.69547%0.474SS*.SBendtrans-104.82.5-169.6-70.1-23.7000115.8
711S62.3Low63.7Low17 Ų1798.8 Ų98.812%0.11947%0.467CS..Hα-helixtrans-90.9-33.8-164.8134.90000115.9R715S711-R715 WeakPolarHBondContact O-CB 3.4Å; S711-R715 WeakPolarHBondContact O-CG 3.39Å; S711-R715 PolarHBondContact O-N 3.01Å; S711-R715 VanDerWaalsContact O-N 3.09Å; S711-R715 PolarHBondContact OG-NE 2.84Å; S711-R715 PolarHBondContact OG-NH2 3.04Å
712C66.8Low63.9Low31 Ų3195.4 Ų95.421%0.20945%0.446CS..Hα-helixtrans-73.3-45.4-170.2-173.90000113.5L714 R715 K716 I759C712-L714 VanDerWaalsContact C-N 3.33Å; C712-L714 PolarHBondContact O-N 3.4Å; C712-R715 PolarHBondContact O-N 2.96Å; C712-K716 PolarHBondContact O-N 3.06Å; C712-I759 VanDerWaalsContact SG-CG2 3.53Å
713Q69.2Low64.7Low157 Ų15789.9 Ų89.973%0.73442%0.424SS*.Hα-helixtrans-65.6-37.8-178.5-156.3176.514.800111.8K716 Q717Q713-K716 PolarHBondContact O-N 3.22Å; Q713-Q717 PolarHBondContact O-N 3.06Å
714L65.9Low65.7Low56 Ų5694.2 Ų94.229%0.29344%0.438SS..Hα-helixtrans-66.9-42174.3-116.591000112.4L638 C712 K716 Q717 R718L638-L714 WeakPolarHBondContact O-CD2 3.43Å; C712-L714 VanDerWaalsContact C-N 3.33Å; C712-L714 PolarHBondContact O-N 3.4Å; L714-K716 VanDerWaalsContact C-N 3.3Å; L714-K716 PolarHBondContact O-N 3.12Å; L714-Q717 PolarHBondContact O-N 2.88Å; L714-R718 WeakPolarHBondContact O-CB 3.29Å; L714-R718 PolarHBondContact O-N 3.3Å
715R69.1Low66.2Low70 Ų7088.5 Ų88.526%0.26441%0.414SS..Hα-helixtrans-59.3-40.4175.1-75.9174.4-170.6-177.210111.8S711 C712 R718 A719 I759S711-R715 WeakPolarHBondContact O-CB 3.4Å; S711-R715 WeakPolarHBondContact O-CG 3.39Å; S711-R715 PolarHBondContact O-N 3.01Å; S711-R715 VanDerWaalsContact O-N 3.09Å; S711-R715 PolarHBondContact OG-NE 2.84Å; S711-R715 PolarHBondContact OG-NH2 3.04Å; C712-R715 PolarHBondContact O-N 2.96Å; R715-R718 WeakPolarHBondContact O-CB 3.23Å; R715-R718 PolarHBondContact O-N 3.44Å; R715-A719 PolarHBondContact O-N 2.83Å; R715-I759 HydrophobicContact CB-CD1 3.81Å; R715-I759 HydrophobicContact CB-CG1 3.98Å; R715-I759 HydrophobicContact CB-CG2 3.97Å
716K76.3Confident67.3Low78 Ų7884.2 Ų84.234%0.33939%0.392SS..Hα-helixtrans-64.6-47.1173.7-74.7-170.9179.1-176.70112.6C712 Q713 L714 R718 A719 V720 I759 D760C712-K716 PolarHBondContact O-N 3.06Å; Q713-K716 PolarHBondContact O-N 3.22Å; L714-K716 VanDerWaalsContact C-N 3.3Å; L714-K716 PolarHBondContact O-N 3.12Å; K716-R718 PolarHBondContact O-N 3.06Å; K716-A719 PolarHBondContact O-N 3.44Å; K716-V720 WeakPolarHBondContact O-CG2 3.37Å; K716-V720 PolarHBondContact O-N 2.96Å; K716-I759 HydrophobicContact CG-CG2 4.02Å; K716-D760 WeakPolarHBondContact CE-OD1 3.27Å; K716-D760 IonicContact NZ-OD1 2.72Å; K716-D760 PolarHBondContact NZ-OD1 3.15Å; K716-D760 IonicContact NZ-OD2 3.92Å
717Q74.2Confident68.7Low114 Ų11480 Ų8053%0.53338%0.375SS..Hα-helixtrans-56-37.1175.2-76.7-178.7-5.800111.6Q713 L714 V720 M721Q713-Q717 PolarHBondContact O-N 3.06Å; L714-Q717 PolarHBondContact O-N 2.88Å; Q717-V720 PolarHBondContact O-N 2.78Å; Q717-M721 WeakPolarHBondContact O-CG 3.47Å; Q717-M721 PolarHBondContact O-N 2.73Å
718R69.8Low69.9Low19 Ų1978.4 Ų78.47%0.07237%0.372CS..Hα-helixtrans-69.4-44.5179-157.9169.8-178.9-138.8-16.9113.1D636 P640 V642 D643 L714 R715 K716 V720 M721 R722D636-R718 PolarHBondContact O-NH1 2.9Å; D636-R718 IonicContact OD1-CZ 3.88Å; D636-R718 IonicContact OD1-NH1 3.65Å; D636-R718 PolarHBondContact OD1-NH1 3.45Å; D636-R718 IonicContact OD1-NH2 2.82Å; D636-R718 PolarHBondContact OD1-NH2 3.31Å; P640-R718 HydrophobicContact CB-CB 4.47Å; P640-R718 HydrophobicContact CB-CG 4.07Å; P640-R718 PolarHBondContact O-NE 3.09Å; V642-R718 PolarHBondContact O-NH2 3Å; D643-R718 IonicContact OD1-NH2 3.24Å; D643-R718 PolarHBondContact OD1-NH2 3.21Å; L714-R718 WeakPolarHBondContact O-CB 3.29Å; L714-R718 PolarHBondContact O-N 3.3Å; R715-R718 WeakPolarHBondContact O-CB 3.23Å; R715-R718 PolarHBondContact O-N 3.44Å; K716-R718 PolarHBondContact O-N 3.06Å; R718-V720 PolarHBondContact O-N 2.86Å; R718-M721 PolarHBondContact O-N 3.34Å; R718-R722 PolarHBondContact O-N 3.04Å
719A77.4Confident70.9Confident0 Ų074.2 Ų74.20%035%0.353CS..Hα-helixtrans-57.1-42.3172.700000110.9R715 K716 L723 Y752 E755 V756 I759R715-A719 PolarHBondContact O-N 2.83Å; K716-A719 PolarHBondContact O-N 3.44Å; A719-L723 WeakPolarHBondContact O-CB 3.34Å; A719-L723 PolarHBondContact O-N 2.64Å; A719-Y752 HydrophobicContact CB-CD2 4.03Å; A719-Y752 HydrophobicContact CB-CE2 3.69Å; A719-E755 HydrophobicContact CB-CG 4.25Å; A719-V756 HydrophobicContact CB-CG2 4.25Å; A719-I759 HydrophobicContact CB-CD1 4.39Å
720V83.2Confident72.1Confident71 Ų7165.4 Ų65.443%0.4332%0.316SS..Hα-helixtrans-64.3-44.1176.7173.50000111.7K716 Q717 R718 L723 R724 Y752K716-V720 WeakPolarHBondContact O-CG2 3.37Å; K716-V720 PolarHBondContact O-N 2.96Å; Q717-V720 PolarHBondContact O-N 2.78Å; R718-V720 PolarHBondContact O-N 2.86Å; V720-L723 PolarHBondContact O-N 2.61Å; V720-R724 WeakPolarHBondContact O-CB 3.3Å; V720-R724 PolarHBondContact O-N 3.37Å; V720-Y752 HydrophobicContact CG2-CE2 4.21Å; V720-Y752 VanDerWaalsContact CG2-OH 3.29Å; V720-Y752 WeakPolarHBondContact CG2-OH 3.38Å
721M73Confident72.9Confident75 Ų7565.8 Ų65.837%0.36932%0.316SS..Hα-helixtrans-64-43.1178.6-77.1-65.1-16300112.3Q717 R718 R724 H725Q717-M721 WeakPolarHBondContact O-CG 3.47Å; Q717-M721 PolarHBondContact O-N 2.73Å; R718-M721 PolarHBondContact O-N 3.34Å; M721-R724 WeakPolarHBondContact O-CB 3.34Å; M721-R724 PolarHBondContact O-N 3.46Å; M721-H725 PolarHBondContact O-N 2.63Å
722R72.6Confident72.9Confident34 Ų3470.4 Ų70.413%0.12834%0.344CS..Hα-helixtrans-63.3-43.2174.8-69.7-171.1-154.6142.35.8111.7R718 R724 H725 R726 E755R718-R722 PolarHBondContact O-N 3.04Å; R722-R724 PolarHBondContact O-N 3.33Å; R722-H725 PolarHBondContact O-N 2.6Å; R722-R726 WeakPolarHBondContact O-CG 3.25Å; R722-R726 PolarHBondContact O-N 3.43Å; R722-E755 IonicContact CZ-OE1 2.76Å; R722-E755 IonicContact NH1-OE1 3.77Å; R722-E755 PolarHBondContact NH1-OE1 3.31Å; R722-E755 IonicContact NH1-OE2 3.12Å; R722-E755 PolarHBondContact NH1-OE2 2.98Å; R722-E755 IonicContact NH2-OE1 2.73Å
723L81.5Confident72.8Confident40 Ų4074 Ų7421%0.20936%0.359CS..Hα-helixtrans-57.5-49.6174.6176.163.6000110.5A719 V720 H725 R726 L727 L748 Y752A719-L723 WeakPolarHBondContact O-CB 3.34Å; A719-L723 PolarHBondContact O-N 2.64Å; V720-L723 PolarHBondContact O-N 2.61Å; L723-H725 VanDerWaalsContact C-N 3.32Å; L723-H725 PolarHBondContact O-N 3.19Å; L723-R726 PolarHBondContact O-N 3.29Å; L723-L727 HydrophobicContact CD1-CD1 4Å; L723-L727 HydrophobicContact CD1-CG 4.18Å; L723-L727 HydrophobicContact CG-CD1 3.92Å; L723-L727 HydrophobicContact CG-CG 4.49Å; L723-L727 WeakPolarHBondContact O-CB 3.47Å; L723-L727 VanDerWaalsContact O-CG 3.25Å; L723-L727 WeakPolarHBondContact O-CG 3.42Å; L723-L727 PolarHBondContact O-N 3.46Å; L723-L748 HydrophobicContact CD1-CD2 3.24Å; L723-Y752 HydrophobicContact CB-CD2 3.86Å; L723-Y752 HydrophobicContact CB-CE2 4.24Å; L723-Y752 HydrophobicContact CB-CG 4.41Å; L723-Y752 HydrophobicContact CD1-CG 4.46Å; L723-Y752 HydrophobicContact CD2-CD1 3.92Å; L723-Y752 HydrophobicContact CD2-CD2 3.84Å; L723-Y752 HydrophobicContact CD2-CE1 4.06Å; L723-Y752 HydrophobicContact CD2-CE2 3.97Å; L723-Y752 HydrophobicContact CD2-CG 3.8Å; L723-Y752 HydrophobicContact CG-CD2 4.33Å; L723-Y752 HydrophobicContact CG-CG 4.45Å
724R81.2Confident72.2Confident174 Ų17471.3 Ų71.366%0.65736%0.358SS*.Hα-helixtrans-55.5-46.2176.5173.6-172.9150.9168.3-4.6111.5V720 M721 R722 L727 A728V720-R724 WeakPolarHBondContact O-CB 3.3Å; V720-R724 PolarHBondContact O-N 3.37Å; M721-R724 WeakPolarHBondContact O-CB 3.34Å; M721-R724 PolarHBondContact O-N 3.46Å; R722-R724 PolarHBondContact O-N 3.33Å; R724-L727 PolarHBondContact O-N 3.47Å; R724-A728 PolarHBondContact O-N 2.83Å
725H68.4Low72.2Confident31 Ų3176 Ų7614%0.14438%0.383CS..Hα-helixtrans-69.4-44.2-176.4-169.453.1000112.4D553 M721 R722 L723 L727 A728 Q729D553-H725 HydrophobicContact CB-CB 3.85Å; D553-H725 IonicContact OD1-CD2 2.93Å; D553-H725 PolarHBondContact OD1-CD2 3.04Å; D553-H725 VanDerWaalsContact OD1-CD2 3.32Å; D553-H725 IonicContact OD1-NE2 2.76Å; D553-H725 IonicContact OD2-CD2 3.37Å; D553-H725 PolarHBondContact OD2-CD2 3.33Å; M721-H725 PolarHBondContact O-N 2.63Å; R722-H725 PolarHBondContact O-N 2.6Å; L723-H725 VanDerWaalsContact C-N 3.32Å; L723-H725 PolarHBondContact O-N 3.19Å; H725-L727 VanDerWaalsContact C-N 3.27Å; H725-L727 PolarHBondContact O-N 3.08Å; H725-A728 WeakPolarHBondContact O-CA 3.22Å; H725-A728 WeakPolarHBondContact O-CB 3.25Å; H725-A728 PolarHBondContact O-N 3.41Å; H725-Q729 PolarHBondContact CD2-NE2 3.12Å; H725-Q729 PolarHBondContact NE2-NE2 3.23Å; H725-Q729 VanDerWaalsContact NE2-NE2 3.15Å; H725-Q729 PolarHBondContact O-N 2.94Å
726R75.5Confident72Confident90 Ų9075 Ų7534%0.3439%0.385SS..Hα-helixtrans-63.3-35.9174.9-63-177.8173.6176.9-3111.8R722 L723 A728 Q729 V730 L748R722-R726 WeakPolarHBondContact O-CG 3.25Å; R722-R726 PolarHBondContact O-N 3.43Å; L723-R726 PolarHBondContact O-N 3.29Å; R726-A728 VanDerWaalsContact C-N 3.34Å; R726-Q729 PolarHBondContact O-N 2.87Å; R726-V730 WeakPolarHBondContact O-CG2 3.38Å; R726-V730 PolarHBondContact O-N 3.29Å; R726-L748 HydrophobicContact CB-CD1 3.73Å; R726-L748 HydrophobicContact CB-CD2 4.16Å; R726-L748 HydrophobicContact CB-CG 4.37Å
727L79.8Confident72.1Confident72 Ų7278.1 Ų78.138%0.37740%0.4SS..Hα-helixtrans-63.8-38.5171.7-72.9172.2000112L723 R724 H725 V730 I731 L745L723-L727 HydrophobicContact CD1-CD1 4Å; L723-L727 HydrophobicContact CD1-CG 4.18Å; L723-L727 HydrophobicContact CG-CD1 3.92Å; L723-L727 HydrophobicContact CG-CG 4.49Å; L723-L727 WeakPolarHBondContact O-CB 3.47Å; L723-L727 VanDerWaalsContact O-CG 3.25Å; L723-L727 WeakPolarHBondContact O-CG 3.42Å; L723-L727 PolarHBondContact O-N 3.46Å; R724-L727 PolarHBondContact O-N 3.47Å; H725-L727 VanDerWaalsContact C-N 3.27Å; H725-L727 PolarHBondContact O-N 3.08Å; L727-V730 WeakPolarHBondContact O-CB 3.46Å; L727-V730 PolarHBondContact O-N 3.22Å; L727-I731 WeakPolarHBondContact O-CG1 3.3Å; L727-I731 PolarHBondContact O-N 3.49Å; L727-L745 HydrophobicContact CD2-CD2 3.64Å
728A73.7Confident72.4Confident44 Ų4479.2 Ų79.236%0.36441%0.41SS..Hα-helixtrans-64.7-38.817400000112.4R724 H725 R726 V730 I731 T732R724-A728 PolarHBondContact O-N 2.83Å; H725-A728 WeakPolarHBondContact O-CA 3.22Å; H725-A728 WeakPolarHBondContact O-CB 3.25Å; H725-A728 PolarHBondContact O-N 3.41Å; R726-A728 VanDerWaalsContact C-N 3.34Å; A728-V730 VanDerWaalsContact C-N 3.28Å; A728-V730 PolarHBondContact O-N 2.99Å; A728-I731 WeakPolarHBondContact O-CB 3.3Å; A728-I731 PolarHBondContact O-N 3.07Å; A728-I731 VanDerWaalsContact O-N 3.15Å; A728-T732 PolarHBondContact O-N 2.69Å
729Q68.2Low72.9Confident53 Ų5382.3 Ų82.325%0.24843%0.434CS..Hα-helixtrans-62.4-35.8172.6-70.9175.3-6.100112H725 R726 I731 T732 M733H725-Q729 PolarHBondContact CD2-NE2 3.12Å; H725-Q729 PolarHBondContact NE2-NE2 3.23Å; H725-Q729 VanDerWaalsContact NE2-NE2 3.15Å; H725-Q729 PolarHBondContact O-N 2.94Å; R726-Q729 PolarHBondContact O-N 2.87Å; Q729-I731 VanDerWaalsContact C-N 3.31Å; Q729-I731 PolarHBondContact O-N 3.22Å; Q729-T732 PolarHBondContact O-N 3.1Å; Q729-T732 PolarHBondContact O-OG1 2.9Å; Q729-M733 WeakPolarHBondContact O-CG 3.42Å
730V74.1Confident72.9Confident17 Ų1786.3 Ų86.310%0.10346%0.459CS..Hα-helixtrans-65.3-34.9174.8175.30000111.7R726 L727 A728 T732 M733 L741 Y744 L745R726-V730 WeakPolarHBondContact O-CG2 3.38Å; R726-V730 PolarHBondContact O-N 3.29Å; L727-V730 WeakPolarHBondContact O-CB 3.46Å; L727-V730 PolarHBondContact O-N 3.22Å; A728-V730 VanDerWaalsContact C-N 3.28Å; A728-V730 PolarHBondContact O-N 2.99Å; V730-T732 PolarHBondContact O-N 2.93Å; V730-M733 PolarHBondContact O-N 2.88Å; V730-L741 HydrophobicContact CG1-CD1 3.53Å; V730-L741 HydrophobicContact CG1-CG 4.26Å; V730-Y744 HydrophobicContact CG2-CD1 3.7Å; V730-Y744 HydrophobicContact CG2-CE1 3.44Å; V730-Y744 VanDerWaalsContact CG2-CE1 3.44Å; V730-L745 HydrophobicContact CG1-CD2 4.25Å; V730-L745 HydrophobicContact CG2-CD2 4.46Å
731I69.2Low72.7Confident139 Ų13985 Ų8571%0.71345%0.449SS*.Hα-helixtrans-61.6-34176.7-64.2168.9000111.1L727 A728 Q729 M733L727-I731 WeakPolarHBondContact O-CG1 3.3Å; L727-I731 PolarHBondContact O-N 3.49Å; A728-I731 WeakPolarHBondContact O-CB 3.3Å; A728-I731 PolarHBondContact O-N 3.07Å; A728-I731 VanDerWaalsContact O-N 3.15Å; Q729-I731 VanDerWaalsContact C-N 3.31Å; Q729-I731 PolarHBondContact O-N 3.22Å; I731-M733 VanDerWaalsContact C-N 3.26Å; I731-M733 PolarHBondContact O-N 3.22Å
732T62.9Low73.2Confident113 Ų11386.8 Ų86.869%0.69346%0.459SS*.THydrogen-bonded Turntrans-76.6-917746.70000114.1A728 Q729 V730 S734A728-T732 PolarHBondContact O-N 2.69Å; Q729-T732 PolarHBondContact O-N 3.1Å; Q729-T732 PolarHBondContact O-OG1 2.9Å; V730-T732 PolarHBondContact O-N 2.93Å; T732-S734 PolarHBondContact O-N 3.36Å
733M63.5Low73.8Confident107 Ų10786.9 Ų86.953%0.52747%0.471SS..  trans-97.358.4178.9-62.4-175.288.600111.7Q729 V730 I731 D735 V736Q729-M733 WeakPolarHBondContact O-CG 3.42Å; V730-M733 PolarHBondContact O-N 2.88Å; I731-M733 VanDerWaalsContact C-N 3.26Å; I731-M733 PolarHBondContact O-N 3.22Å; M733-D735 PolarHBondContact O-N 3.13Å; M733-D735 VanDerWaalsContact O-N 3.15Å; M733-V736 HydrophobicContact CB-CG2 3.93Å; M733-V736 HydrophobicContact CE-CG2 3.98Å
734S57.9Low73.8Confident101 Ų10189.6 Ų89.671%0.70648%0.479SS*.THydrogen-bonded Turntrans-62.4-19.8-17653.50000115T732T732-S734 PolarHBondContact O-N 3.36Å
735D64Low74Confident155 Ų15584.2 Ų84.283%0.82946%0.463SS*.THydrogen-bonded Turntrans-101.65.2-165.9-57.9-9.4000113.4M733M733-D735 PolarHBondContact O-N 3.13Å; M733-D735 VanDerWaalsContact O-N 3.15Å
736V66.3Low74.9Confident49 Ų4987 Ų8730%0.29748%0.479SS..SBendtrans-86.9135.9-177.1-175.90000110.6M733 N738 V740M733-V736 HydrophobicContact CB-CG2 3.93Å; M733-V736 HydrophobicContact CE-CG2 3.98Å; V736-N738 PolarHBondContact O-N 3.02Å; V736-V740 HydrophobicContact CG1-CB 3.97Å; V736-V740 HydrophobicContact CG1-CG1 3.98Å
737E76.9Confident75.4Confident143 Ų14389.3 Ų89.367%0.66849%0.494SS*.  trans-52.9134.5176.1-75.4-171.8164.700112.3S739 V740 L741E737-S739 PolarHBondContact O-N 3.13Å; E737-V740 HydrophobicContact CB-CG2 4.37Å; E737-V740 PolarHBondContact O-N 3.1Å; E737-L741 PolarHBondContact O-N 3.09Å
738N80.6Confident75.6Confident137 Ų13786.3 Ų86.373%0.73348%0.478SS*.Hα-helixtrans-53.4-33.5-175.6-74.6-24.4000113.9V736 L742V736-N738 PolarHBondContact O-N 3.02Å; N738-L742 VanDerWaalsContact O-CB 3.32Å; N738-L742 WeakPolarHBondContact O-CB 3.32Å; N738-L742 PolarHBondContact O-N 3.19Å
739S81.2Confident76.3Confident83 Ų8390.7 Ų90.758%0.5849%0.489SS*.Hα-helixtrans-66.4-43.1178.855.20000112.2E737 G743E737-S739 PolarHBondContact O-N 3.13Å; S739-G743 PolarHBondContact O-N 3.5Å; S739-G743 VanDerWaalsContact O-N 3.07Å
740V77.2Confident77.3Confident85 Ų8594.5 Ų94.552%0.51551%0.505SS..Hα-helixtrans-69.6-42.9178.3-179.50000110.1V736 E737 L742 G743 Y744V736-V740 HydrophobicContact CG1-CB 3.97Å; V736-V740 HydrophobicContact CG1-CG1 3.98Å; E737-V740 HydrophobicContact CB-CG2 4.37Å; E737-V740 PolarHBondContact O-N 3.1Å; V740-L742 VanDerWaalsContact C-N 3.34Å; V740-L742 PolarHBondContact O-N 3.22Å; V740-G743 PolarHBondContact O-N 3.39Å; V740-Y744 PolarHBondContact O-N 3.06Å
741L79.8Confident77.7Confident43 Ų4396 Ų9623%0.22552%0.516CS..Hα-helixtrans-58.3-46.3175.6-163.175.8000111.6V730 E737 G743 Y744 L745V730-L741 HydrophobicContact CG1-CD1 3.53Å; V730-L741 HydrophobicContact CG1-CG 4.26Å; E737-L741 PolarHBondContact O-N 3.09Å; L741-G743 VanDerWaalsContact C-N 3.34Å; L741-G743 PolarHBondContact O-N 3.18Å; L741-Y744 PolarHBondContact O-N 3.1Å; L741-L745 HydrophobicContact CG-CD1 4.36Å; L741-L745 WeakPolarHBondContact O-CB 3.47Å; L741-L745 WeakPolarHBondContact O-CG 3.47Å; L741-L745 PolarHBondContact O-N 3.31Å
742L83.1Confident78.6Confident112 Ų11291.9 Ų91.959%0.58649%0.492SS*.Hα-helixtrans-64.6-38.9178.6-159.8113.3000111.7N738 V740 N746N738-L742 VanDerWaalsContact O-CB 3.32Å; N738-L742 WeakPolarHBondContact O-CB 3.32Å; N738-L742 PolarHBondContact O-N 3.19Å; V740-L742 VanDerWaalsContact C-N 3.34Å; V740-L742 PolarHBondContact O-N 3.22Å; L742-N746 WeakPolarHBondContact O-CB 3.43Å; L742-N746 PolarHBondContact O-N 3.44Å; L742-N746 PolarHBondContact O-ND2 3.06Å; L742-N746 VanDerWaalsContact O-ND2 3.1Å
743G84.7Confident79.8Confident37 Ų3791.8 Ų91.838%0.38149%0.485SS..Hα-helixtrans-60.2-48.917300000112.2S739 V740 L741 N746 Q747S739-G743 PolarHBondContact O-N 3.5Å; S739-G743 VanDerWaalsContact O-N 3.07Å; V740-G743 PolarHBondContact O-N 3.39Å; L741-G743 VanDerWaalsContact C-N 3.34Å; L741-G743 PolarHBondContact O-N 3.18Å; G743-N746 PolarHBondContact O-N 3.39Å; G743-Q747 PolarHBondContact O-N 3.02Å
744Y82.2Confident80.8Confident96 Ų9691.5 Ų91.538%0.37648%0.482SS..Hα-helixtrans-61.1-48.1178-175.9-101.3000111.8V730 V740 L741 N746 Q747 L748V730-Y744 HydrophobicContact CG2-CD1 3.7Å; V730-Y744 HydrophobicContact CG2-CE1 3.44Å; V730-Y744 VanDerWaalsContact CG2-CE1 3.44Å; V740-Y744 PolarHBondContact O-N 3.06Å; L741-Y744 PolarHBondContact O-N 3.1Å; Y744-N746 VanDerWaalsContact C-N 3.32Å; Y744-N746 PolarHBondContact O-N 3.06Å; Y744-Q747 PolarHBondContact O-N 3.35Å; Y744-Q747 VanDerWaalsContact O-N 3.15Å; Y744-L748 HydrophobicContact CD1-CD1 3.92Å; Y744-L748 HydrophobicContact CE1-CD1 3.22Å; Y744-L748 VanDerWaalsContact O-CB 3.31Å; Y744-L748 WeakPolarHBondContact O-CB 3.4Å; Y744-L748 PolarHBondContact O-N 2.88Å
745L84.8Confident81.9Confident62 Ų6289.3 Ų89.333%0.32546%0.461SS..Hα-helixtrans-59.8-39.9178-73.6172.5000112.5L727 V730 L741 L748 K749L727-L745 HydrophobicContact CD2-CD2 3.64Å; V730-L745 HydrophobicContact CG1-CD2 4.25Å; V730-L745 HydrophobicContact CG2-CD2 4.46Å; L741-L745 HydrophobicContact CG-CD1 4.36Å; L741-L745 WeakPolarHBondContact O-CB 3.47Å; L741-L745 WeakPolarHBondContact O-CG 3.47Å; L741-L745 PolarHBondContact O-N 3.31Å; L745-L748 PolarHBondContact O-N 3.05Å; L745-K749 WeakPolarHBondContact O-CB 3.08Å; L745-K749 PolarHBondContact O-N 3.12Å
746N87.5Confident82.8Confident89 Ų8983 Ų8348%0.47643%0.428SS..Hα-helixtrans-65.3-41.2175.5-80.6-38.8000112.3L742 G743 Y744 L748 K749 K750L742-N746 WeakPolarHBondContact O-CB 3.43Å; L742-N746 PolarHBondContact O-N 3.44Å; L742-N746 PolarHBondContact O-ND2 3.06Å; L742-N746 VanDerWaalsContact O-ND2 3.1Å; G743-N746 PolarHBondContact O-N 3.39Å; Y744-N746 VanDerWaalsContact C-N 3.32Å; Y744-N746 PolarHBondContact O-N 3.06Å; N746-L748 VanDerWaalsContact C-N 3.32Å; N746-K749 PolarHBondContact O-N 3.11Å; N746-K750 WeakPolarHBondContact O-CB 3.43Å; N746-K750 PolarHBondContact O-N 3.31Å
747Q85.4Confident83.6Confident139 Ų13985.6 Ų85.665%0.6544%0.437SS*.Hα-helixtrans-66.2-38.4177.1-162.7172.59.300111.6G743 Y744 K750 S751G743-Q747 PolarHBondContact O-N 3.02Å; Y744-Q747 PolarHBondContact O-N 3.35Å; Y744-Q747 VanDerWaalsContact O-N 3.15Å; Q747-K750 PolarHBondContact O-N 3.45Å; Q747-S751 WeakPolarHBondContact O-CB 3.48Å; Q747-S751 PolarHBondContact O-N 3.09Å
748L84.9Confident83.7Confident9 Ų983 Ų835%0.04743%0.431CS..Hα-helixtrans-67.7-42.2177.7-149.4152.8000111.5L723 R726 Y744 L745 N746 S751 Y752L723-L748 HydrophobicContact CD1-CD2 3.24Å; R726-L748 HydrophobicContact CB-CD1 3.73Å; R726-L748 HydrophobicContact CB-CD2 4.16Å; R726-L748 HydrophobicContact CB-CG 4.37Å; Y744-L748 HydrophobicContact CD1-CD1 3.92Å; Y744-L748 HydrophobicContact CE1-CD1 3.22Å; Y744-L748 VanDerWaalsContact O-CB 3.31Å; Y744-L748 WeakPolarHBondContact O-CB 3.4Å; Y744-L748 PolarHBondContact O-N 2.88Å; L745-L748 PolarHBondContact O-N 3.05Å; N746-L748 VanDerWaalsContact C-N 3.32Å; L748-S751 PolarHBondContact O-N 3.33Å; L748-Y752 WeakPolarHBondContact O-CB 3.09Å; L748-Y752 PolarHBondContact O-N 3.39Å
749K88.2Confident83.3Confident136 Ų13677.1 Ų77.159%0.59140%0.399SS*.Hα-helixtrans-58.4-47.9169.8179.6-178.6177-178.60111.3L745 N746 Y752 M753L745-K749 WeakPolarHBondContact O-CB 3.08Å; L745-K749 PolarHBondContact O-N 3.12Å; N746-K749 PolarHBondContact O-N 3.11Å; K749-Y752 PolarHBondContact O-N 2.87Å; K749-M753 HydrophobicContact CG-CG 4.41Å; K749-M753 VanDerWaalsContact O-CG 3.25Å; K749-M753 WeakPolarHBondContact O-CG 3.43Å; K749-M753 PolarHBondContact O-N 3.18Å
750K88Confident83.1Confident133 Ų13375.5 Ų75.558%0.57838%0.384SS*.Hα-helixtrans-59.9-48.3179.4-176.3177172.7-179.90111.4N746 Q747 Y752 M753 E754N746-K750 WeakPolarHBondContact O-CB 3.43Å; N746-K750 PolarHBondContact O-N 3.31Å; Q747-K750 PolarHBondContact O-N 3.45Å; K750-Y752 VanDerWaalsContact C-N 3.33Å; K750-Y752 PolarHBondContact O-N 2.91Å; K750-M753 PolarHBondContact O-N 3.38Å; K750-E754 WeakPolarHBondContact CE-OE1 3.14Å; K750-E754 IonicContact NZ-OE1 2.69Å; K750-E754 WeakPolarHBondContact O-CG 3.4Å; K750-E754 PolarHBondContact O-N 3.49Å
751S83.9Confident82.9Confident48 Ų4877.3 Ų77.334%0.33639%0.385SS..Hα-helixtrans-59.9-41.2177.8176.60000112.5Q747 L748 E755Q747-S751 WeakPolarHBondContact O-CB 3.48Å; Q747-S751 PolarHBondContact O-N 3.09Å; L748-S751 PolarHBondContact O-N 3.33Å; S751-E755 WeakPolarHBondContact O-CB 3.3Å; S751-E755 PolarHBondContact O-N 3.37Å
752Y86.8Confident82.1Confident53 Ų5376.8 Ų76.821%0.20839%0.387CS..Hα-helixtrans-65.8-44.5175.9171.9-99.8000112A719 V720 L723 L748 K749 K750 E754 E755 V756A719-Y752 HydrophobicContact CB-CD2 4.03Å; A719-Y752 HydrophobicContact CB-CE2 3.69Å; V720-Y752 HydrophobicContact CG2-CE2 4.21Å; V720-Y752 VanDerWaalsContact CG2-OH 3.29Å; V720-Y752 WeakPolarHBondContact CG2-OH 3.38Å; L723-Y752 HydrophobicContact CB-CD2 3.86Å; L723-Y752 HydrophobicContact CB-CE2 4.24Å; L723-Y752 HydrophobicContact CB-CG 4.41Å; L723-Y752 HydrophobicContact CD1-CG 4.46Å; L723-Y752 HydrophobicContact CD2-CD1 3.92Å; L723-Y752 HydrophobicContact CD2-CD2 3.84Å; L723-Y752 HydrophobicContact CD2-CE1 4.06Å; L723-Y752 HydrophobicContact CD2-CE2 3.97Å; L723-Y752 HydrophobicContact CD2-CG 3.8Å; L723-Y752 HydrophobicContact CG-CD2 4.33Å; L723-Y752 HydrophobicContact CG-CG 4.45Å; L748-Y752 WeakPolarHBondContact O-CB 3.09Å; L748-Y752 PolarHBondContact O-N 3.39Å; K749-Y752 PolarHBondContact O-N 2.87Å; K750-Y752 VanDerWaalsContact C-N 3.33Å; K750-Y752 PolarHBondContact O-N 2.91Å; Y752-E754 PolarHBondContact O-N 3.46Å; Y752-E755 PolarHBondContact O-N 2.99Å; Y752-V756 HydrophobicContact CD1-CG2 4.34Å; Y752-V756 HydrophobicContact CD2-CG2 4.21Å; Y752-V756 HydrophobicContact CE1-CG2 3.86Å; Y752-V756 HydrophobicContact CE2-CG2 3.72Å; Y752-V756 WeakPolarHBondContact O-CG2 3.48Å; Y752-V756 PolarHBondContact O-N 3.33Å
753M88.1Confident81.1Confident111 Ų11173.1 Ų73.155%0.54737%0.371SS..Hα-helixtrans-63.3-42.3178.9-67-67.6-71.300111.5K749 K750 E755 V756 E757K749-M753 HydrophobicContact CG-CG 4.41Å; K749-M753 VanDerWaalsContact O-CG 3.25Å; K749-M753 WeakPolarHBondContact O-CG 3.43Å; K749-M753 PolarHBondContact O-N 3.18Å; K750-M753 PolarHBondContact O-N 3.38Å; M753-E755 VanDerWaalsContact C-N 3.34Å; M753-E755 PolarHBondContact O-N 3.37Å; M753-V756 PolarHBondContact O-N 3.47Å; M753-E757 VanDerWaalsContact O-CB 3.3Å; M753-E757 WeakPolarHBondContact O-CB 3.48Å; M753-E757 PolarHBondContact O-N 2.91Å
754E85.3Confident79.7Confident101 Ų10177.9 Ų77.947%0.47239%0.387SS..Hα-helixtrans-62.2-40.2175.1-74.1173.5178.600112.1K750 Y752 E757 T758K750-E754 WeakPolarHBondContact CE-OE1 3.14Å; K750-E754 IonicContact NZ-OE1 2.69Å; K750-E754 WeakPolarHBondContact O-CG 3.4Å; K750-E754 PolarHBondContact O-N 3.49Å; Y752-E754 PolarHBondContact O-N 3.46Å; E754-E757 PolarHBondContact O-N 3.47Å; E754-T758 PolarHBondContact O-N 3.43Å; E754-T758 PolarHBondContact O-OG1 3.09Å
755E80.9Confident78.2Confident54 Ų5477.8 Ų77.825%0.25241%0.406SS..Hα-helixtrans-65.1-44.6175.6-176.5167.2-157.900111.7A719 R722 S751 Y752 M753 T758 I759A719-E755 HydrophobicContact CB-CG 4.25Å; R722-E755 IonicContact CZ-OE1 2.76Å; R722-E755 IonicContact NH1-OE1 3.77Å; R722-E755 PolarHBondContact NH1-OE1 3.31Å; R722-E755 IonicContact NH1-OE2 3.12Å; R722-E755 PolarHBondContact NH1-OE2 2.98Å; R722-E755 IonicContact NH2-OE1 2.73Å; S751-E755 WeakPolarHBondContact O-CB 3.3Å; S751-E755 PolarHBondContact O-N 3.37Å; Y752-E755 PolarHBondContact O-N 2.99Å; M753-E755 VanDerWaalsContact C-N 3.34Å; M753-E755 PolarHBondContact O-N 3.37Å; E755-T758 WeakPolarHBondContact CA-OG1 3.46Å; E755-T758 PolarHBondContact O-N 2.97Å; E755-T758 PolarHBondContact O-OG1 3.46Å; E755-I759 HydrophobicContact CG-CD1 4.09Å; E755-I759 WeakPolarHBondContact O-CD1 3.34Å; E755-I759 WeakPolarHBondContact O-CG1 3.47Å; E755-I759 PolarHBondContact O-N 3.23Å
756V82.8Confident76Confident24 Ų2482.8 Ų82.815%0.14543%0.428CS..Hα-helixtrans-65.9-40.9176.9175.50000111.3A719 Y752 M753 T758 I759 D760A719-V756 HydrophobicContact CB-CG2 4.25Å; Y752-V756 HydrophobicContact CD1-CG2 4.34Å; Y752-V756 HydrophobicContact CD2-CG2 4.21Å; Y752-V756 HydrophobicContact CE1-CG2 3.86Å; Y752-V756 HydrophobicContact CE2-CG2 3.72Å; Y752-V756 WeakPolarHBondContact O-CG2 3.48Å; Y752-V756 PolarHBondContact O-N 3.33Å; M753-V756 PolarHBondContact O-N 3.47Å; V756-T758 VanDerWaalsContact C-N 3.34Å; V756-T758 PolarHBondContact O-N 3.37Å; V756-I759 WeakPolarHBondContact O-CB 3.41Å; V756-I759 PolarHBondContact O-N 3.01Å; V756-D760 PolarHBondContact O-N 3.34Å
757E82.8Confident75.5Confident103 Ų10382.5 Ų82.548%0.48143%0.426SS..Hα-helixtrans-67.5-34.7180-155.5-169.6155.500112M753 E754 D760 K761M753-E757 VanDerWaalsContact O-CB 3.3Å; M753-E757 WeakPolarHBondContact O-CB 3.48Å; M753-E757 PolarHBondContact O-N 2.91Å; E754-E757 PolarHBondContact O-N 3.47Å; E757-D760 PolarHBondContact O-N 3.41Å; E757-K761 WeakPolarHBondContact O-CB 3.43Å; E757-K761 VanDerWaalsContact O-CG 3.29Å; E757-K761 WeakPolarHBondContact O-CG 3.33Å; E757-K761 PolarHBondContact O-N 3.23Å; E757-K761 VanDerWaalsContact OE1-CE 3.3Å; E757-K761 WeakPolarHBondContact OE1-CE 3.5Å; E757-K761 IonicContact OE1-NZ 2.66Å; E757-K761 PolarHBondContact OE1-NZ 3.32Å
758T78.8Confident74.9Confident89 Ų8979.5 Ų79.555%0.54641%0.414SS..Hα-helixtrans-68.9-36.3172.134.10000112.2E754 E755 V756 A762E754-T758 PolarHBondContact O-N 3.43Å; E754-T758 PolarHBondContact O-OG1 3.09Å; E755-T758 WeakPolarHBondContact CA-OG1 3.46Å; E755-T758 PolarHBondContact O-N 2.97Å; E755-T758 PolarHBondContact O-OG1 3.46Å; V756-T758 VanDerWaalsContact C-N 3.34Å; V756-T758 PolarHBondContact O-N 3.37Å; T758-A762 WeakPolarHBondContact O-CB 3.38Å; T758-A762 PolarHBondContact O-N 3.28Å
759I74.1Confident74.4Confident12 Ų1283.4 Ų83.46%0.06244%0.435CS..Hα-helixtrans-63.8-44.4172.5-65.7160.4000110.6C712 R715 K716 A719 E755 V756 A762 S763C712-I759 VanDerWaalsContact SG-CG2 3.53Å; R715-I759 HydrophobicContact CB-CD1 3.81Å; R715-I759 HydrophobicContact CB-CG1 3.98Å; R715-I759 HydrophobicContact CB-CG2 3.97Å; K716-I759 HydrophobicContact CG-CG2 4.02Å; A719-I759 HydrophobicContact CB-CD1 4.39Å; E755-I759 HydrophobicContact CG-CD1 4.09Å; E755-I759 WeakPolarHBondContact O-CD1 3.34Å; E755-I759 WeakPolarHBondContact O-CG1 3.47Å; E755-I759 PolarHBondContact O-N 3.23Å; V756-I759 WeakPolarHBondContact O-CB 3.41Å; V756-I759 PolarHBondContact O-N 3.01Å; I759-A762 PolarHBondContact O-N 2.9Å; I759-S763 PolarHBondContact O-N 2.78Å
760D76.6Confident73.6Confident50 Ų5080.4 Ų80.427%0.26743%0.425SS..Hα-helixtrans-67.4-38.2179-77.2-26.8000112.8K716 V756 E757 S763 N764K716-D760 WeakPolarHBondContact CE-OD1 3.27Å; K716-D760 IonicContact NZ-OD1 2.72Å; K716-D760 PolarHBondContact NZ-OD1 3.15Å; K716-D760 IonicContact NZ-OD2 3.92Å; V756-D760 PolarHBondContact O-N 3.34Å; E757-D760 PolarHBondContact O-N 3.41Å; D760-S763 WeakPolarHBondContact CA-OG 3.28Å; D760-S763 PolarHBondContact O-N 3.17Å; D760-S763 PolarHBondContact O-OG 3.22Å; D760-N764 PolarHBondContact O-N 2.89Å; D760-N764 VanDerWaalsContact O-N 3.09Å; D760-N764 PolarHBondContact O-ND2 3.34Å
761K71.9Confident72.7Confident122 Ų12277.1 Ų77.153%0.5342%0.416SS..Hα-helixtrans-65.5-39173.3-76.8171.8-174.7162.10111.8E757 S763 N764 A765E757-K761 WeakPolarHBondContact O-CB 3.43Å; E757-K761 VanDerWaalsContact O-CG 3.29Å; E757-K761 WeakPolarHBondContact O-CG 3.33Å; E757-K761 PolarHBondContact O-N 3.23Å; E757-K761 VanDerWaalsContact OE1-CE 3.3Å; E757-K761 WeakPolarHBondContact OE1-CE 3.5Å; E757-K761 IonicContact OE1-NZ 2.66Å; E757-K761 PolarHBondContact OE1-NZ 3.32Å; K761-S763 VanDerWaalsContact C-N 3.33Å; K761-N764 PolarHBondContact O-N 2.92Å; K761-A765 WeakPolarHBondContact O-CB 3.41Å; K761-A765 PolarHBondContact O-N 2.89Å; K761-A765 VanDerWaalsContact O-N 3.08Å
762A63.9Low71.9Confident33 Ų3379 Ų7927%0.27342%0.421SS..Hα-helixtrans-63.6-39.2174.600000111.5T758 I759 N764 A765 E766T758-A762 WeakPolarHBondContact O-CB 3.38Å; T758-A762 PolarHBondContact O-N 3.28Å; I759-A762 PolarHBondContact O-N 2.9Å; A762-N764 VanDerWaalsContact C-N 3.31Å; A762-N764 PolarHBondContact O-N 3.46Å; A762-A765 PolarHBondContact O-N 3.21Å; A762-E766 VanDerWaalsContact O-CG 3.25Å; A762-E766 WeakPolarHBondContact O-CG 3.33Å; A762-E766 PolarHBondContact O-N 3.13Å
763S61.8Low70.9Confident34 Ų3480.9 Ų80.924%0.23844%0.436CS..Hα-helixtrans-72.7-19.5176.261.90000115.1I759 D760 K761I759-S763 PolarHBondContact O-N 2.78Å; D760-S763 WeakPolarHBondContact CA-OG 3.28Å; D760-S763 PolarHBondContact O-N 3.17Å; D760-S763 PolarHBondContact O-OG 3.22Å; K761-S763 VanDerWaalsContact C-N 3.33Å
764N55.6Low69.5Low137 Ų13778.5 Ų78.573%0.73343%0.428SS*.Hα-helixtrans-93.8-14.4177.4-72.5-18.4000113.1D760 K761 A762D760-N764 PolarHBondContact O-N 2.89Å; D760-N764 VanDerWaalsContact O-N 3.09Å; D760-N764 PolarHBondContact O-ND2 3.34Å; K761-N764 PolarHBondContact O-N 2.92Å; A762-N764 VanDerWaalsContact C-N 3.31Å; A762-N764 PolarHBondContact O-N 3.46Å
765A49.4Very low68.2Low94 Ų9476.7 Ų76.778%0.77742%0.424SS*.Hα-helixtrans-93.2-15.4172.300000112.5K761 A762K761-A765 WeakPolarHBondContact O-CB 3.41Å; K761-A765 PolarHBondContact O-N 2.89Å; K761-A765 VanDerWaalsContact O-N 3.08Å; A762-A765 PolarHBondContact O-N 3.21Å
766E40.2Very low67.1Low168 Ų16878.7 Ų78.779%0.78544%0.44SS*.  trans-75.10160.5-72.1166.7-173.500110.4A762A762-E766 VanDerWaalsContact O-CG 3.25Å; A762-E766 WeakPolarHBondContact O-CG 3.33Å; A762-E766 PolarHBondContact O-N 3.13Å

Retrieved 766 of 766 residues in 470.5 ms (Link to these results)

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