A0A077Z7F5_TRITR Loading...

Exocyst complex component 1

AlphaFold DB , UniProt , Accession A0A077Z7F5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 936 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
1M55.5Low76.9Confident67 Ų6778.3 Ų78.333%0.3339%0.389SS..  0149.80-155.3-167.3-76.900108.5D3 V5 C24 I25 A26 Y38 E121M1-D3 PolarHBondContact O-N 3.01Å; M1-V5 HydrophobicContact SD-CB 4.02Å; M1-V5 HydrophobicContact SD-CG1 4.06Å; M1-C24 HydrophobicContact CE-CB 4.44Å; M1-I25 VanDerWaalsContact CE-CA 3.46Å; M1-A26 HydrophobicContact CE-CB 4.1Å; M1-Y38 HydrophobicContact CE-CD1 3.52Å; M1-Y38 HydrophobicContact CE-CE1 3.83Å; M1-Y38 HydrophobicContact SD-CD1 4.1Å; M1-Y38 HydrophobicContact SD-CE1 4.03Å; M1-E121 PolarHBondContact N-OE1 3.36Å
2D61.7Low77.5Confident123 Ų12378.1 Ų78.166%0.65839%0.386SS*.  trans-69.4127.3171.4-70.5-27.6000109N4 V5D2-N4 HydrophobicContact CB-CB 4.5Å; D2-N4 PolarHBondContact O-N 3.43Å; D2-V5 PolarHBondContact O-N 3.38Å
3D68.2Low77.9Confident121 Ų12174.2 Ų74.265%0.64737%0.368SS*.Hα-helixtrans-54.5-21179.3-81.3-36.1000112.8M1 V5 K6 Q7M1-D3 PolarHBondContact O-N 3.01Å; D3-V5 PolarHBondContact O-N 3.49Å; D3-K6 PolarHBondContact O-N 3.17Å; D3-Q7 WeakPolarHBondContact O-CG 2.93Å; D3-Q7 PolarHBondContact O-N 2.97Å; D3-Q7 VanDerWaalsContact O-N 3.11Å
4N75.5Confident78.5Confident113 Ų11369 Ų6960%0.60434%0.342SS*.Hα-helixtrans-58.3-44.4174.2-69.9-14.6000113.1D2 K6 Q7 S8D2-N4 HydrophobicContact CB-CB 4.5Å; D2-N4 PolarHBondContact O-N 3.43Å; N4-K6 VanDerWaalsContact C-N 3.34Å; N4-K6 PolarHBondContact O-N 3.48Å; N4-Q7 PolarHBondContact O-N 3.36Å; N4-S8 PolarHBondContact O-N 3.22Å; N4-S8 PolarHBondContact O-OG 3.46Å
5V81.1Confident78.6Confident34 Ų3471.7 Ų71.721%0.20635%0.353CS..Hα-helixtrans-65.7-41.1-178.2179.70000110.4M1 D2 D3 Q7 S8 I9 Y38 F65M1-V5 HydrophobicContact SD-CB 4.02Å; M1-V5 HydrophobicContact SD-CG1 4.06Å; D2-V5 PolarHBondContact O-N 3.38Å; D3-V5 PolarHBondContact O-N 3.49Å; V5-Q7 VanDerWaalsContact C-N 3.32Å; V5-Q7 PolarHBondContact O-N 3.09Å; V5-S8 PolarHBondContact O-N 3.45Å; V5-I9 HydrophobicContact CG1-CD1 3.92Å; V5-I9 HydrophobicContact CG1-CG1 4.48Å; V5-I9 WeakPolarHBondContact O-CG1 3.46Å; V5-I9 PolarHBondContact O-N 3.17Å; V5-Y38 HydrophobicContact CG1-CD1 4.44Å; V5-Y38 HydrophobicContact CG1-CE1 3.91Å; V5-F65 HydrophobicContact CG1-CZ 4.27Å
6K80.9Confident78.3Confident63 Ų6378.2 Ų78.227%0.27438%0.383SS..Hα-helixtrans-61.1-41.8176-176.1-176.5174-179.30111.4D3 N4 Q10 I21 L22 C24D3-K6 PolarHBondContact O-N 3.17Å; N4-K6 VanDerWaalsContact C-N 3.34Å; N4-K6 PolarHBondContact O-N 3.48Å; K6-Q10 WeakPolarHBondContact O-CB 3.28Å; K6-Q10 PolarHBondContact O-N 3.33Å; K6-I21 WeakPolarHBondContact CE-O 3.31Å; K6-I21 HydrophobicContact CG-CG2 4.3Å; K6-I21 PolarHBondContact NZ-O 3.33Å; K6-L22 PolarHBondContact NZ-O 2.81Å; K6-C24 HydrophobicContact CG-CB 4.48Å
7Q83.2Confident78.2Confident102 Ų10277.2 Ų77.248%0.47739%0.385SS..Hα-helixtrans-68-40.4178.3-71-179.521.800112.4D3 N4 V5 Q10 R11D3-Q7 WeakPolarHBondContact O-CG 2.93Å; D3-Q7 PolarHBondContact O-N 2.97Å; D3-Q7 VanDerWaalsContact O-N 3.11Å; N4-Q7 PolarHBondContact O-N 3.36Å; V5-Q7 VanDerWaalsContact C-N 3.32Å; V5-Q7 PolarHBondContact O-N 3.09Å; Q7-Q10 PolarHBondContact O-N 2.86Å; Q7-R11 PolarHBondContact O-N 3.25Å; Q7-R11 VanDerWaalsContact O-N 3.08Å
8S84.7Confident78.5Confident51 Ų5177.4 Ų77.436%0.35739%0.388SS..Hα-helixtrans-61-47.7175.1-66.80000111.9N4 V5 Q10 R11 E12N4-S8 PolarHBondContact O-N 3.22Å; N4-S8 PolarHBondContact O-OG 3.46Å; V5-S8 PolarHBondContact O-N 3.45Å; S8-Q10 VanDerWaalsContact C-N 3.31Å; S8-Q10 PolarHBondContact O-N 3.32Å; S8-R11 PolarHBondContact O-N 3.08Å; S8-E12 WeakPolarHBondContact O-CB 3.46Å; S8-E12 WeakPolarHBondContact O-CG 3.36Å; S8-E12 PolarHBondContact O-N 3.39Å
9I86.3Confident78.9Confident0 Ų073.8 Ų73.80%037%0.37CS..Hα-helixtrans-62.6-39.8177.7-63.8171000111V5 R11 L13 F14 I21 Y38 V56 F65V5-I9 HydrophobicContact CG1-CD1 3.92Å; V5-I9 HydrophobicContact CG1-CG1 4.48Å; V5-I9 WeakPolarHBondContact O-CG1 3.46Å; V5-I9 PolarHBondContact O-N 3.17Å; I9-R11 PolarHBondContact O-N 2.99Å; I9-L13 HydrophobicContact CG2-CD1 4.4Å; I9-L13 PolarHBondContact O-N 3.19Å; I9-F14 HydrophobicContact CG2-CD2 3.97Å; I9-F14 HydrophobicContact CG2-CE2 3.59Å; I9-I21 HydrophobicContact CB-CD1 4.15Å; I9-I21 HydrophobicContact CG2-CD1 3.78Å; I9-Y38 HydrophobicContact CD1-CD2 4.34Å; I9-Y38 HydrophobicContact CD1-CG 4.18Å; I9-V56 HydrophobicContact CD1-CG1 4.44Å; I9-V56 HydrophobicContact CG1-CG1 4.49Å; I9-V56 HydrophobicContact CG2-CG1 4.28Å; I9-V56 HydrophobicContact CG2-CG2 4.26Å; I9-F65 HydrophobicContact CD1-CD1 4.39Å; I9-F65 HydrophobicContact CD1-CE1 4.29Å; I9-F65 HydrophobicContact CG1-CD1 3.98Å; I9-F65 HydrophobicContact CG1-CD2 3.92Å; I9-F65 HydrophobicContact CG1-CE1 4.1Å; I9-F65 HydrophobicContact CG1-CE2 4.06Å; I9-F65 HydrophobicContact CG1-CG 3.88Å; I9-F65 HydrophobicContact CG1-CZ 4.15Å
10Q85.1Confident79.3Confident27 Ų2777.1 Ų77.113%0.12638%0.378CS..Iπ-helixtrans-60.8-44.6177.9-179.465.755.500112K6 Q7 S8 F14 E15 E19 I21K6-Q10 WeakPolarHBondContact O-CB 3.28Å; K6-Q10 PolarHBondContact O-N 3.33Å; Q7-Q10 PolarHBondContact O-N 2.86Å; S8-Q10 VanDerWaalsContact C-N 3.31Å; S8-Q10 PolarHBondContact O-N 3.32Å; Q10-F14 CarbonylContact O-C 3.19Å; Q10-F14 PolarHBondContact O-N 2.87Å; Q10-E15 PolarHBondContact O-N 3.34Å; Q10-E19 PolarHBondContact NE2-O 3.44Å; Q10-I21 HydrophobicContact CB-CD1 4.05Å
11R84Confident79.8Confident160 Ų16073.6 Ų73.660%0.60436%0.36SS*.Iπ-helixtrans-73.7-42.9180-68.1-174.5-165.8165.97.2113.2Q7 S8 I9Q7-R11 PolarHBondContact O-N 3.25Å; Q7-R11 VanDerWaalsContact O-N 3.08Å; S8-R11 PolarHBondContact O-N 3.08Å; I9-R11 PolarHBondContact O-N 2.99Å
12E83.9Confident81.3Confident76 Ų7672.4 Ų72.436%0.35536%0.355SS..Iπ-helixtrans-75.2-26.6-173.5-73.9-178.7-155.500114.1S8 F65S8-E12 WeakPolarHBondContact O-CB 3.46Å; S8-E12 WeakPolarHBondContact O-CG 3.36Å; S8-E12 PolarHBondContact O-N 3.39Å; E12-F65 WeakPolarHBondContact OE2-CD2 3.41Å; E12-F65 PolarHBondContact OE2-N 3.43Å
13L83.4Confident82.5Confident28 Ų2869.9 Ų69.915%0.14734%0.338CS..Iπ-helixtrans-124.9-42.3-172.9-69.1172.3000114.2I9 S17 V56 F65 L67I9-L13 HydrophobicContact CG2-CD1 4.4Å; I9-L13 PolarHBondContact O-N 3.19Å; L13-S17 PolarHBondContact O-OG 3.07Å; L13-V56 HydrophobicContact CD1-CG1 3.71Å; L13-V56 HydrophobicContact CD1-CG2 4.25Å; L13-F65 HydrophobicContact CD1-CB 3.85Å; L13-F65 HydrophobicContact CG-CB 4.44Å; L13-L67 HydrophobicContact CD1-CG 4.35Å
14F85.4Confident83.5Confident1 Ų164.6 Ų64.60%0.00431%0.311CS..Iπ-helixtrans-102-15.6-166-61.2-67000114.5I9 Q10 S17 D18 E19 I21 T42 H54 V56 L67I9-F14 HydrophobicContact CG2-CD2 3.97Å; I9-F14 HydrophobicContact CG2-CE2 3.59Å; Q10-F14 CarbonylContact O-C 3.19Å; Q10-F14 PolarHBondContact O-N 2.87Å; F14-S17 PolarHBondContact O-N 2.87Å; F14-D18 PolarHBondContact O-N 3.33Å; F14-E19 HydrophobicContact CB-CB 4.19Å; F14-E19 WeakPolarHBondContact CB-O 3.2Å; F14-E19 HydrophobicContact CD1-CB 4Å; F14-E19 HydrophobicContact CG-CB 4.47Å; F14-E19 PolarHBondContact O-N 3.03Å; F14-E19 VanDerWaalsContact O-O 3.1Å; F14-I21 HydrophobicContact CD2-CD1 3.68Å; F14-I21 HydrophobicContact CD2-CG1 3.68Å; F14-I21 HydrophobicContact CE2-CD1 3.93Å; F14-I21 HydrophobicContact CE2-CG1 3.99Å; F14-I21 HydrophobicContact CG-CG1 4.41Å; F14-T42 HydrophobicContact CD1-CG2 4.1Å; F14-T42 HydrophobicContact CD2-CG2 4.39Å; F14-T42 HydrophobicContact CE1-CG2 3.97Å; F14-T42 HydrophobicContact CE2-CG2 4.22Å; F14-T42 HydrophobicContact CG-CG2 4.31Å; F14-T42 HydrophobicContact CZ-CG2 4.02Å; F14-H54 HydrophobicContact CE1-CB 4.38Å; F14-H54 AromaticContact CE1-CD2 3.42Å; F14-H54 VanDerWaalsContact CE1-CD2 3.42Å; F14-H54 WeakPolarHBondContact CE1-CD2 3.48Å; F14-H54 AromaticContact CE1-CE1 3.95Å; F14-H54 AromaticContact CE1-CG 3.75Å; F14-H54 AromaticContact CE1-NE2 3.54Å; F14-H54 HydrophobicContact CZ-CB 3.87Å; F14-H54 AromaticContact CZ-CD2 3.66Å; F14-H54 AromaticContact CZ-CG 3.74Å; F14-V56 HydrophobicContact CE2-CG2 4.38Å; F14-V56 HydrophobicContact CZ-CG2 4.29Å; F14-L67 HydrophobicContact CE1-CD2 4.22Å; F14-L67 HydrophobicContact CZ-CD2 3.99Å
15E79.8Confident84.2Confident109 Ų10959.3 Ų59.351%0.50928%0.282SS..THydrogen-bonded Turntrans-66.6-41.5168.6-88.5177.6-178.400111.7Q10 S17Q10-E15 PolarHBondContact O-N 3.34Å; E15-S17 VanDerWaalsContact C-N 3.26Å; E15-S17 PolarHBondContact O-N 3.16Å
16E75.2Confident84.5Confident176 Ų17658 Ų5882%0.82228%0.276SS*.THydrogen-bonded Turntrans-70.1-24.3174.7-66.8-173.2170.800112.8
17S75.6Confident84.8Confident61 Ų6155 Ų5543%0.42726%0.263SS..THydrogen-bonded Turntrans-94.62.4-178.2-53.90000113.8L13 F14 E15 E19L13-S17 PolarHBondContact O-OG 3.07Å; F14-S17 PolarHBondContact O-N 2.87Å; E15-S17 VanDerWaalsContact C-N 3.26Å; E15-S17 PolarHBondContact O-N 3.16Å; S17-E19 PolarHBondContact O-N 3.13Å
18D84.1Confident84.8Confident82 Ų8252.5 Ų52.544%0.43925%0.252SS..THydrogen-bonded Turntrans52.937.5-174-67.9-44.3000114.4F14 Y45 F46F14-D18 PolarHBondContact O-N 3.33Å; D18-Y45 VanDerWaalsContact C-CD2 3.43Å; D18-Y45 HydrophobicContact CB-CD2 4.38Å; D18-Y45 VanDerWaalsContact O-CD2 3.23Å; D18-Y45 WeakPolarHBondContact O-CD2 3.35Å; D18-Y45 PolarHBondContact O-N 2.92Å; D18-F46 HydrophobicContact CB-CD2 4.24Å; D18-F46 HydrophobicContact CB-CE2 3.94Å
19E86.3Confident84.6Confident9 Ų951.2 Ų51.24%0.04224%0.242CC..EExtended strand (participates in β ladder)trans-116.6150.2177.7-69.4-172.4-165.200111.7Q10 F14 S17 T42 I43 R52 H54Q10-E19 PolarHBondContact NE2-O 3.44Å; F14-E19 HydrophobicContact CB-CB 4.19Å; F14-E19 WeakPolarHBondContact CB-O 3.2Å; F14-E19 HydrophobicContact CD1-CB 4Å; F14-E19 HydrophobicContact CG-CB 4.47Å; F14-E19 PolarHBondContact O-N 3.03Å; F14-E19 VanDerWaalsContact O-O 3.1Å; S17-E19 PolarHBondContact O-N 3.13Å; E19-T42 WeakPolarHBondContact OE2-CB 3.28Å; E19-T42 PolarHBondContact OE2-OG1 2.87Å; E19-I43 CarbonylContact C-O 3.59Å; E19-I43 WeakPolarHBondContact CA-O 3.42Å; E19-R52 VanDerWaalsContact OE1-CD 3.31Å; E19-R52 WeakPolarHBondContact OE1-CD 3.24Å; E19-R52 IonicContact OE1-CZ 2.69Å; E19-R52 IonicContact OE1-NE 3.72Å; E19-R52 IonicContact OE1-NH1 3.55Å; E19-R52 PolarHBondContact OE1-NH1 3.2Å; E19-H54 IonicContact OE1-NE2 3.94Å; E19-H54 IonicContact OE2-CD2 2.87Å; E19-H54 IonicContact OE2-CE1 3.52Å; E19-H54 IonicContact OE2-NE2 3.71Å; E19-H54 PolarHBondContact OE2-NE2 2.83Å
20R86.6Confident83.7Confident139 Ų13953.9 Ų53.953%0.52527%0.269SS..EExtended strand (participates in β ladder)trans-120.4126.4178.7-175.7-176.9175.3-173.32111.9L22 T42 I43 Y45R20-L22 PolarHBondContact O-N 2.92Å; R20-T42 CarbonylContact O-C 3.55Å; R20-T42 VanDerWaalsContact O-CA 3.24Å; R20-T42 WeakPolarHBondContact O-CA 3.31Å; R20-I43 HydrophobicContact CB-CG1 4.37Å; R20-I43 PolarHBondContact N-O 3.27Å; R20-I43 PolarHBondContact O-N 2.82Å; R20-Y45 HydrophobicContact CB-CE1 4.09Å; R20-Y45 HydrophobicContact CB-CE2 4.27Å
21I89Confident82.6Confident3 Ų355.9 Ų55.92%0.01530%0.298CS..EExtended strand (participates in β ladder)trans-74.4118.2175.8-54.5168.5000111.4K6 I9 Q10 F14 C24 C40 T42K6-I21 WeakPolarHBondContact CE-O 3.31Å; K6-I21 HydrophobicContact CG-CG2 4.3Å; K6-I21 PolarHBondContact NZ-O 3.33Å; I9-I21 HydrophobicContact CB-CD1 4.15Å; I9-I21 HydrophobicContact CG2-CD1 3.78Å; Q10-I21 HydrophobicContact CB-CD1 4.05Å; F14-I21 HydrophobicContact CD2-CD1 3.68Å; F14-I21 HydrophobicContact CD2-CG1 3.68Å; F14-I21 HydrophobicContact CE2-CD1 3.93Å; F14-I21 HydrophobicContact CE2-CG1 3.99Å; F14-I21 HydrophobicContact CG-CG1 4.41Å; I21-C24 HydrophobicContact CG2-CB 4.1Å; I21-C40 HydrophobicContact CG2-CB 4.36Å; I21-T42 HydrophobicContact CB-CG2 4.38Å; I21-T42 HydrophobicContact CG1-CG2 3.8Å
22L86.6Confident81.2Confident42 Ų4258.9 Ų58.922%0.2232%0.315CS..EExtended strand (participates in β ladder)trans-80.6-52.7172.8-65.5176.5000111.4K6 R20 V41 I43 V132K6-L22 PolarHBondContact NZ-O 2.81Å; R20-L22 PolarHBondContact O-N 2.92Å; L22-V41 PolarHBondContact N-O 2.9Å; L22-I43 HydrophobicContact CD1-CD1 4.2Å; L22-I43 HydrophobicContact CD1-CG1 4.16Å; L22-I43 HydrophobicContact CD1-CG2 3.71Å; L22-I43 HydrophobicContact CD2-CD1 3.95Å; L22-I43 HydrophobicContact CD2-CG1 4.23Å; L22-I43 HydrophobicContact CG-CD1 4.29Å; L22-I43 HydrophobicContact CG-CG1 4.11Å; L22-I43 HydrophobicContact CG-CG2 4.49Å; L22-V132 HydrophobicContact CD1-CG1 4.4Å; L22-V132 HydrophobicContact CD1-CG2 3.3Å
23K88.8Confident80Confident70 Ų7066.1 Ų66.130%0.30434%0.339SS..EExtended strand (participates in β ladder)trans-144.8141.2179.5-167.873.2170.5-175.20110.2V41 S124 F125 Q128K23-V41 PolarHBondContact O-N 2.69Å; K23-S124 WeakPolarHBondContact CE-OG 3.3Å; K23-S124 PolarHBondContact NZ-OG 3.33Å; K23-F125 HydrophobicContact CB-CD2 4.31Å; K23-F125 HydrophobicContact CG-CD2 3.92Å; K23-Q128 HydrophobicContact CB-CB 4.14Å; K23-Q128 HydrophobicContact CB-CG 3.83Å; K23-Q128 HydrophobicContact CG-CB 4.41Å
24C88.7Confident79.5Confident11 Ų1170.3 Ų70.37%0.07436%0.356CS..EExtended strand (participates in β ladder)trans-130.9136178.6178.20000108.9M1 K6 I21 L39 C40M1-C24 HydrophobicContact CE-CB 4.44Å; K6-C24 HydrophobicContact CG-CB 4.48Å; I21-C24 HydrophobicContact CG2-CB 4.1Å; C24-L39 CarbonylContact C-O 3.58Å; C24-L39 VanDerWaalsContact CA-O 3.25Å; C24-L39 WeakPolarHBondContact CA-O 3.32Å; C24-C40 PolarHBondContact SG-SG 3.24Å
25I88.9Confident79.1Confident1 Ų178 Ų781%0.00539%0.39CS..EExtended strand (participates in β ladder)trans-130.6150175.557.5166.8000111M1 V27 Y38 L39 L104 V116 E121 F125M1-I25 VanDerWaalsContact CE-CA 3.46Å; I25-V27 HydrophobicContact CD1-CG1 3.91Å; I25-V27 HydrophobicContact CG1-CG1 4.15Å; I25-Y38 CarbonylContact O-C 3.23Å; I25-Y38 VanDerWaalsContact O-CA 3.31Å; I25-Y38 WeakPolarHBondContact O-CA 3.41Å; I25-L39 HydrophobicContact CG1-CB 3.95Å; I25-L39 PolarHBondContact N-O 3.43Å; I25-L39 PolarHBondContact O-N 2.78Å; I25-L104 HydrophobicContact CD1-CD2 4.42Å; I25-V116 HydrophobicContact CD1-CG1 4.13Å; I25-V116 HydrophobicContact CD1-CG2 4.17Å; I25-E121 HydrophobicContact CG2-CB 4.04Å; I25-F125 HydrophobicContact CB-CD2 4.24Å; I25-F125 HydrophobicContact CB-CG 4.5Å; I25-F125 HydrophobicContact CD1-CB 3.82Å; I25-F125 HydrophobicContact CD1-CD1 3.5Å; I25-F125 VanDerWaalsContact CD1-CD1 3.5Å; I25-F125 HydrophobicContact CD1-CD2 3.87Å; I25-F125 HydrophobicContact CD1-CE1 3.94Å; I25-F125 HydrophobicContact CD1-CE2 4.25Å; I25-F125 HydrophobicContact CD1-CG 3.45Å; I25-F125 VanDerWaalsContact CD1-CG 3.45Å; I25-F125 HydrophobicContact CD1-CZ 4.28Å; I25-F125 HydrophobicContact CG1-CB 4.34Å; I25-F125 HydrophobicContact CG1-CD1 4.16Å; I25-F125 HydrophobicContact CG1-CD2 3.64Å; I25-F125 HydrophobicContact CG1-CE1 4.35Å; I25-F125 HydrophobicContact CG1-CE2 3.84Å; I25-F125 HydrophobicContact CG1-CG 3.8Å; I25-F125 HydrophobicContact CG1-CZ 4.19Å; I25-F125 HydrophobicContact CG2-CB 3.71Å; I25-F125 HydrophobicContact CG2-CD2 3.72Å; I25-F125 HydrophobicContact CG2-CG 3.94Å
26A87.2Confident79.3Confident8 Ų877.9 Ų77.97%0.06639%0.389CS..EExtended strand (participates in β ladder)trans-87.5131.9173.500000109.6M1 Y38 C117M1-A26 HydrophobicContact CE-CB 4.1Å; A26-Y38 HydrophobicContact CB-CD1 4.09Å; A26-Y38 HydrophobicContact CB-CE1 3.95Å; A26-C117 HydrophobicContact CB-CB 4.47Å; A26-C117 PolarHBondContact O-N 3.26Å
27V88Confident80Confident0 Ų069.7 Ų69.70%035%0.351CS..EExtended strand (participates in β ladder)trans-133157.9179.7-640000111I25 Q36 T37 L39 W114 E115 V116I25-V27 HydrophobicContact CD1-CG1 3.91Å; I25-V27 HydrophobicContact CG1-CG1 4.15Å; V27-Q36 WeakPolarHBondContact O-CA 3.29Å; V27-T37 WeakPolarHBondContact CG2-OG1 3.43Å; V27-T37 PolarHBondContact N-O 2.98Å; V27-T37 PolarHBondContact O-N 3.45Å; V27-L39 HydrophobicContact CB-CD1 4.49Å; V27-L39 HydrophobicContact CG1-CD1 3.77Å; V27-L39 HydrophobicContact CG1-CG 4.26Å; V27-L39 HydrophobicContact CG2-CD1 4.05Å; V27-L39 HydrophobicContact CG2-CG 3.86Å; V27-W114 HydrophobicContact CB-CB 3.99Å; V27-W114 HydrophobicContact CB-CG 4.28Å; V27-W114 HydrophobicContact CG1-CB 4.19Å; V27-W114 HydrophobicContact CG2-CB 4.36Å; V27-W114 HydrophobicContact CG2-CG 4.12Å; V27-E115 CarbonylContact C-O 3.53Å; V27-E115 WeakPolarHBondContact CA-O 3.35Å; V27-V116 HydrophobicContact CG1-CG2 4.11Å
28L83.1Confident80.7Confident48 Ų4868.4 Ų68.425%0.25134%0.337SS..EExtended strand (participates in β ladder)trans-106.6127.8175.3-67.6167.5000109.5K34 K35 Q36 E115L28-K34 HydrophobicContact CB-CB 4.15Å; L28-K34 HydrophobicContact CB-CD 4.15Å; L28-K34 HydrophobicContact CB-CG 4.48Å; L28-K34 HydrophobicContact CD1-CD 4.23Å; L28-K34 HydrophobicContact CD2-CB 4.16Å; L28-K35 WeakPolarHBondContact CA-O 3.37Å; L28-Q36 HydrophobicContact CD2-CB 4.22Å; L28-E115 HydrophobicContact CB-CB 4.29Å; L28-E115 PolarHBondContact N-O 2.87Å; L28-E115 PolarHBondContact O-N 3.39Å
29T80.2Confident81Confident25 Ų2564.5 Ų64.515%0.15332%0.316CS..EExtended strand (participates in β ladder)trans-118.7145.1176.546.60000113.1K34 K35 T37 E55 W114T29-K34 CarbonylContact O-C 3.57Å; T29-K34 WeakPolarHBondContact O-CA 3.4Å; T29-K35 PolarHBondContact N-O 3.14Å; T29-K35 PolarHBondContact O-N 3.14Å; T29-K35 PolarHBondContact OG1-O 2.82Å; T29-T37 WeakPolarHBondContact CG2-OG1 3.33Å; T29-T37 WeakPolarHBondContact OG1-CG2 3.22Å; T29-T37 PolarHBondContact OG1-OG1 3.31Å; T29-E55 WeakPolarHBondContact CG2-OE1 3.41Å; T29-W114 HydrophobicContact CG2-CG 4.22Å
30G68.4Low81.2Confident55 Ų5564.1 Ų64.157%0.56731%0.314SS*.  trans103.6160.7174.200000114.7
31G60.5Low81.5Confident70 Ų7057.5 Ų57.572%0.72229%0.289SS*.SBendtrans-74.5-100.2-174.700000113.9R33G31-R33 VanDerWaalsContact C-N 3.35Å; G31-R33 PolarHBondContact O-N 2.96Å
32K56Low81.5Confident222 Ų22257.3 Ų57.397%0.96529%0.289SS*.SBendtrans-69.6-25.5-173.1-69.3-172.9178.8-179.30114.6
33R59.2Low81.6Confident229 Ų22956.2 Ų56.286%0.86428%0.282SS*.SBendtrans-125.1101.9174.9-72.7-173.3179.1-179.10.2108.4G31G31-R33 VanDerWaalsContact C-N 3.35Å; G31-R33 PolarHBondContact O-N 2.96Å
34K71.1Confident81.5Confident115 Ų11553.8 Ų53.850%0.527%0.274SS..PPolyproline II helixtrans-73.7123.5178.5-68.8-179.7-177.9178.80109.6L28 T29 E115L28-K34 HydrophobicContact CB-CB 4.15Å; L28-K34 HydrophobicContact CB-CD 4.15Å; L28-K34 HydrophobicContact CB-CG 4.48Å; L28-K34 HydrophobicContact CD1-CD 4.23Å; L28-K34 HydrophobicContact CD2-CB 4.16Å; T29-K34 CarbonylContact O-C 3.57Å; T29-K34 WeakPolarHBondContact O-CA 3.4Å; K34-E115 IonicContact NZ-OE2 2.71Å; K34-E115 PolarHBondContact NZ-OE2 3.4Å
35K78.8Confident81Confident163 Ų16359.2 Ų59.271%0.70929%0.294SS*.EExtended strand (participates in β ladder)trans-96.5140.5170.1-71.8-175176-176.40108.7L28 T29 T37L28-K35 WeakPolarHBondContact CA-O 3.37Å; T29-K35 PolarHBondContact N-O 3.14Å; T29-K35 PolarHBondContact O-N 3.14Å; T29-K35 PolarHBondContact OG1-O 2.82Å; K35-T37 PolarHBondContact O-N 2.89Å
36Q83.7Confident80.4Confident106 Ų10665.7 Ų65.750%0.49532%0.322SS..EExtended strand (participates in β ladder)trans-81.4118.7175.1-172.5174.2-15.900109.2V27 L28V27-Q36 WeakPolarHBondContact O-CA 3.29Å; L28-Q36 HydrophobicContact CD2-CB 4.22Å
37T89.1Confident79.5Confident4 Ų473.4 Ų73.43%0.02536%0.357CS..EExtended strand (participates in β ladder)trans-120.4171.9172.958.90000109.4V27 T29 K35 E55 V56 F57V27-T37 WeakPolarHBondContact CG2-OG1 3.43Å; V27-T37 PolarHBondContact N-O 2.98Å; V27-T37 PolarHBondContact O-N 3.45Å; T29-T37 WeakPolarHBondContact CG2-OG1 3.33Å; T29-T37 WeakPolarHBondContact OG1-CG2 3.22Å; T29-T37 PolarHBondContact OG1-OG1 3.31Å; K35-T37 PolarHBondContact O-N 2.89Å; T37-E55 WeakPolarHBondContact CB-OE1 3.31Å; T37-E55 PolarHBondContact OG1-OE1 2.79Å; T37-V56 CarbonylContact C-O 3.57Å; T37-V56 WeakPolarHBondContact CA-O 3.43Å; T37-V56 WeakPolarHBondContact CB-O 3.41Å; T37-F57 HydrophobicContact CG2-CB 3.9Å
38Y90.4Very high78.8Confident34 Ų3478.1 Ų78.113%0.13339%0.387CS..EExtended strand (participates in β ladder)trans-125.1128.4-177.3-62.2-84.5000109.8M1 V5 I9 I25 A26 E55 V56 F65M1-Y38 HydrophobicContact CE-CD1 3.52Å; M1-Y38 HydrophobicContact CE-CE1 3.83Å; M1-Y38 HydrophobicContact SD-CD1 4.1Å; M1-Y38 HydrophobicContact SD-CE1 4.03Å; V5-Y38 HydrophobicContact CG1-CD1 4.44Å; V5-Y38 HydrophobicContact CG1-CE1 3.91Å; I9-Y38 HydrophobicContact CD1-CD2 4.34Å; I9-Y38 HydrophobicContact CD1-CG 4.18Å; I25-Y38 CarbonylContact O-C 3.23Å; I25-Y38 VanDerWaalsContact O-CA 3.31Å; I25-Y38 WeakPolarHBondContact O-CA 3.41Å; A26-Y38 HydrophobicContact CB-CD1 4.09Å; A26-Y38 HydrophobicContact CB-CE1 3.95Å; Y38-E55 CarbonylContact O-C 3.58Å; Y38-E55 WeakPolarHBondContact O-CA 3.47Å; Y38-V56 PolarHBondContact N-O 3.46Å; Y38-V56 PolarHBondContact O-N 2.83Å; Y38-F65 HydrophobicContact CD2-CE1 4.27Å; Y38-F65 AromaticContact CE2-CE1 3.97Å; Y38-F65 HydrophobicContact CE2-CE1 3.97Å
39L90.1Very high78.6Confident1 Ų177.4 Ų77.41%0.00539%0.385CS..EExtended strand (participates in β ladder)trans-96.9122.4172.4-75.2171000109.8C24 I25 V27 L53 H54 E55 L104 W114 F125C24-L39 CarbonylContact C-O 3.58Å; C24-L39 VanDerWaalsContact CA-O 3.25Å; C24-L39 WeakPolarHBondContact CA-O 3.32Å; I25-L39 HydrophobicContact CG1-CB 3.95Å; I25-L39 PolarHBondContact N-O 3.43Å; I25-L39 PolarHBondContact O-N 2.78Å; V27-L39 HydrophobicContact CB-CD1 4.49Å; V27-L39 HydrophobicContact CG1-CD1 3.77Å; V27-L39 HydrophobicContact CG1-CG 4.26Å; V27-L39 HydrophobicContact CG2-CD1 4.05Å; V27-L39 HydrophobicContact CG2-CG 3.86Å; L39-L53 HydrophobicContact CD2-CD1 4.35Å; L39-H54 CarbonylContact C-O 3.58Å; L39-H54 WeakPolarHBondContact CA-O 3.31Å; L39-E55 HydrophobicContact CD2-CB 4.07Å; L39-E55 HydrophobicContact CD2-CG 4.47Å; L39-L104 HydrophobicContact CD1-CD2 4.18Å; L39-W114 HydrophobicContact CD1-CD2 3.89Å; L39-W114 HydrophobicContact CD1-CE3 4.11Å; L39-W114 HydrophobicContact CD1-CG 4.09Å; L39-W114 HydrophobicContact CD2-CH2 4.45Å; L39-W114 HydrophobicContact CD2-CZ2 4.05Å; L39-F125 HydrophobicContact CB-CE1 4.44Å; L39-F125 HydrophobicContact CB-CE2 4.38Å; L39-F125 HydrophobicContact CB-CZ 3.84Å
40C91.5Very high78.8Confident0 Ų078.5 Ų78.50%039%0.392CS..EExtended strand (participates in β ladder)trans-119.3124.4-176.3-670000110.4I21 C24 L53 H54I21-C40 HydrophobicContact CG2-CB 4.36Å; C24-C40 PolarHBondContact SG-SG 3.24Å; C40-L53 WeakPolarHBondContact O-CA 3.15Å; C40-H54 HydrophobicContact CB-CB 4.35Å; C40-H54 PolarHBondContact N-O 3.45Å; C40-H54 PolarHBondContact O-N 3.09Å
41V91.4Very high79.8Confident0 Ų076.2 Ų76.20%037%0.367CS..EExtended strand (participates in β ladder)trans-92.7118.6167.6-179.60000108.5L22 K23 R52 L53 L73 F125 V129 V132L22-V41 PolarHBondContact N-O 2.9Å; K23-V41 PolarHBondContact O-N 2.69Å; V41-R52 WeakPolarHBondContact CA-O 3.45Å; V41-L53 HydrophobicContact CG2-CD1 3.98Å; V41-L73 HydrophobicContact CG1-CD1 3.99Å; V41-F125 HydrophobicContact CG2-CE1 4.5Å; V41-F125 HydrophobicContact CG2-CE2 3.64Å; V41-F125 HydrophobicContact CG2-CZ 3.63Å; V41-V129 HydrophobicContact CG2-CG2 3.57Å; V41-V132 HydrophobicContact CG1-CB 4.44Å; V41-V132 HydrophobicContact CG1-CG1 4.25Å; V41-V132 HydrophobicContact CG1-CG2 4.16Å
42T90Very high81.2Confident0 Ų076.8 Ų76.80%035%0.347CS..EExtended strand (participates in β ladder)trans-117.3160.8-179.262.20000112.1F14 E19 R20 I21 P51 R52 H54F14-T42 HydrophobicContact CD1-CG2 4.1Å; F14-T42 HydrophobicContact CD2-CG2 4.39Å; F14-T42 HydrophobicContact CE1-CG2 3.97Å; F14-T42 HydrophobicContact CE2-CG2 4.22Å; F14-T42 HydrophobicContact CG-CG2 4.31Å; F14-T42 HydrophobicContact CZ-CG2 4.02Å; E19-T42 WeakPolarHBondContact OE2-CB 3.28Å; E19-T42 PolarHBondContact OE2-OG1 2.87Å; R20-T42 CarbonylContact O-C 3.55Å; R20-T42 VanDerWaalsContact O-CA 3.24Å; R20-T42 WeakPolarHBondContact O-CA 3.31Å; I21-T42 HydrophobicContact CB-CG2 4.38Å; I21-T42 HydrophobicContact CG1-CG2 3.8Å; T42-P51 WeakPolarHBondContact O-CA 3.37Å; T42-R52 PolarHBondContact N-O 2.89Å; T42-R52 PolarHBondContact O-N 3.49Å; T42-H54 PolarHBondContact OG1-CD2 3.28Å; T42-H54 PolarHBondContact OG1-NE2 2.76Å; T42-H54 VanDerWaalsContact OG1-NE2 3.15Å
43I89.2Confident82.9Confident18 Ų1866.4 Ų66.49%0.09230%0.303CS..EExtended strand (participates in β ladder)trans-133.5144169.653168.8000109.5E19 R20 L22 V49 T50 P51 V132 Y136E19-I43 CarbonylContact C-O 3.59Å; E19-I43 WeakPolarHBondContact CA-O 3.42Å; R20-I43 HydrophobicContact CB-CG1 4.37Å; R20-I43 PolarHBondContact N-O 3.27Å; R20-I43 PolarHBondContact O-N 2.82Å; L22-I43 HydrophobicContact CD1-CD1 4.2Å; L22-I43 HydrophobicContact CD1-CG1 4.16Å; L22-I43 HydrophobicContact CD1-CG2 3.71Å; L22-I43 HydrophobicContact CD2-CD1 3.95Å; L22-I43 HydrophobicContact CD2-CG1 4.23Å; L22-I43 HydrophobicContact CG-CD1 4.29Å; L22-I43 HydrophobicContact CG-CG1 4.11Å; L22-I43 HydrophobicContact CG-CG2 4.49Å; I43-V49 HydrophobicContact CB-CG1 3.78Å; I43-V49 HydrophobicContact CG2-CG1 3.99Å; I43-T50 WeakPolarHBondContact CA-O 3.36Å; I43-P51 HydrophobicContact CG2-CB 4.22Å; I43-V132 HydrophobicContact CG2-CG1 4.31Å; I43-Y136 HydrophobicContact CG2-CD2 4.39Å; I43-Y136 HydrophobicContact CG2-CE2 4.16Å
44S86.3Confident84.4Confident19 Ų1955.7 Ų55.713%0.13326%0.262CS..EExtended strand (participates in β ladder)trans-66.2149.4171.161.50000112.1F46 P48 V49 T50S44-F46 PolarHBondContact OG-O 2.96Å; S44-P48 PolarHBondContact OG-O 3.43Å; S44-V49 WeakPolarHBondContact OG-CA 3.45Å; S44-T50 WeakPolarHBondContact CB-OG1 3.34Å; S44-T50 PolarHBondContact N-O 2.82Å; S44-T50 PolarHBondContact OG-N 3.07Å; S44-T50 PolarHBondContact OG-OG1 3.4Å; S44-T50 VanDerWaalsContact OG-OG1 3.12Å
45Y78.8Confident85.3Confident125 Ų12550.4 Ų50.449%0.4924%0.239SC..SBendtrans-70-35.7172.4-77.4-71.2000112.7D18 R20D18-Y45 VanDerWaalsContact C-CD2 3.43Å; D18-Y45 HydrophobicContact CB-CD2 4.38Å; D18-Y45 VanDerWaalsContact O-CD2 3.23Å; D18-Y45 WeakPolarHBondContact O-CD2 3.35Å; D18-Y45 PolarHBondContact O-N 2.92Å; R20-Y45 HydrophobicContact CB-CE1 4.09Å; R20-Y45 HydrophobicContact CB-CE2 4.27Å
46F76.1Confident85.9Confident137 Ų13742.7 Ų42.760%0.60121%0.206SC*.SBendtrans-94.1152.1-174.2-56.8-71.7000112.2D18 S44 P48D18-F46 HydrophobicContact CB-CD2 4.24Å; D18-F46 HydrophobicContact CB-CE2 3.94Å; S44-F46 PolarHBondContact OG-O 2.96Å; F46-P48 CarbonylContact O-C 3.49Å; F46-P48 VanDerWaalsContact O-C 3.32Å
47H67.4Low86Confident171 Ų17140.5 Ų40.579%0.79220%0.195SC*.SBendtrans-85.7136.1177.5-153.968.3000110.3
48P73.4Confident85.8Confident98 Ų9843.7 Ų43.764%0.63621%0.211SC*.SBendcis-70.7136.24.628.9-34.1000112.9S44 F46 T50S44-P48 PolarHBondContact OG-O 3.43Å; F46-P48 CarbonylContact O-C 3.49Å; F46-P48 VanDerWaalsContact O-C 3.32Å; P48-T50 PolarHBondContact O-N 3.1Å; P48-T50 VanDerWaalsContact O-N 3.17Å
49V78.8Confident85.4Confident33 Ų3344.5 Ų44.520%0.222%0.218CC..  trans-68.7115.6178.7178.90000108.3I43 S44 P51 Y136I43-V49 HydrophobicContact CB-CG1 3.78Å; I43-V49 HydrophobicContact CG2-CG1 3.99Å; S44-V49 WeakPolarHBondContact OG-CA 3.45Å; V49-P51 WeakPolarHBondContact O-CD 3.49Å; V49-Y136 HydrophobicContact CB-CD1 3.76Å; V49-Y136 HydrophobicContact CB-CE1 3.86Å; V49-Y136 HydrophobicContact CG1-CD1 3.69Å; V49-Y136 HydrophobicContact CG1-CE1 3.62Å; V49-Y136 HydrophobicContact CG1-CE2 4.48Å; V49-Y136 HydrophobicContact CG1-CG 4.14Å; V49-Y136 HydrophobicContact CG2-CD1 4.4Å; V49-Y136 HydrophobicContact CG2-CE1 4.08Å
50T84.2Confident84.8Confident48 Ų4852.2 Ų52.229%0.29425%0.254SS..  trans-102.8109.5-178.549.60000110I43 S44 P48I43-T50 WeakPolarHBondContact CA-O 3.36Å; S44-T50 WeakPolarHBondContact CB-OG1 3.34Å; S44-T50 PolarHBondContact N-O 2.82Å; S44-T50 PolarHBondContact OG-N 3.07Å; S44-T50 PolarHBondContact OG-OG1 3.4Å; S44-T50 VanDerWaalsContact OG-OG1 3.12Å; P48-T50 PolarHBondContact O-N 3.1Å; P48-T50 VanDerWaalsContact O-N 3.17Å
51P89.4Confident84.1Confident8 Ų861.7 Ų61.75%0.05230%0.295CS..EExtended strand (participates in β ladder)trans-82.8129.5177.633.8-35.2000110.8T42 I43 V49 L73 V132 L137T42-P51 WeakPolarHBondContact O-CA 3.37Å; I43-P51 HydrophobicContact CG2-CB 4.22Å; V49-P51 WeakPolarHBondContact O-CD 3.49Å; P51-L73 HydrophobicContact CB-CB 4.29Å; P51-L73 HydrophobicContact CB-CD1 3.83Å; P51-L73 HydrophobicContact CG-CB 4.25Å; P51-L73 PolarHBondContact O-N 3.45Å; P51-V132 HydrophobicContact CB-CG1 3.52Å; P51-L137 HydrophobicContact CG-CD2 3.86Å; P51-L137 HydrophobicContact CG-CG 4.18Å
52R89.9Confident83.5Confident81 Ų8166.9 Ų66.931%0.30632%0.322SS..EExtended strand (participates in β ladder)trans-128.9154.4-179.7-73.3177.9172.7179.3-6.6112.3E19 V41 T42 W71 L72E19-R52 VanDerWaalsContact OE1-CD 3.31Å; E19-R52 WeakPolarHBondContact OE1-CD 3.24Å; E19-R52 IonicContact OE1-CZ 2.69Å; E19-R52 IonicContact OE1-NE 3.72Å; E19-R52 IonicContact OE1-NH1 3.55Å; E19-R52 PolarHBondContact OE1-NH1 3.2Å; V41-R52 WeakPolarHBondContact CA-O 3.45Å; T42-R52 PolarHBondContact N-O 2.89Å; T42-R52 PolarHBondContact O-N 3.49Å; R52-W71 WeakPolarHBondContact CA-O 3.28Å; R52-L72 HydrophobicContact CG-CD2 3.93Å; R52-L72 HydrophobicContact CG-CG 4.43Å
53L91.8Very high83Confident5 Ų573.1 Ų73.13%0.02635%0.351CS..EExtended strand (participates in β ladder)trans-115.1119.3170.8179.666.1000108.2L39 C40 V41 W71 L73 I106 F125L39-L53 HydrophobicContact CD2-CD1 4.35Å; C40-L53 WeakPolarHBondContact O-CA 3.15Å; V41-L53 HydrophobicContact CG2-CD1 3.98Å; L53-W71 HydrophobicContact CD2-CE3 4.35Å; L53-W71 HydrophobicContact CG-CE3 4.27Å; L53-W71 PolarHBondContact N-O 3.01Å; L53-W71 PolarHBondContact O-N 3.2Å; L53-L73 HydrophobicContact CB-CD2 4.06Å; L53-L73 HydrophobicContact CB-CG 4.36Å; L53-I106 HydrophobicContact CD2-CD1 3.55Å; L53-F125 HydrophobicContact CD1-CE1 4.39Å; L53-F125 HydrophobicContact CD1-CZ 3.75Å
54H90.5Very high82.7Confident4 Ų480.2 Ų80.22%0.01938%0.376CS..EExtended strand (participates in β ladder)trans-113.4139.6-180-63.5-81.1000110.9F14 E19 L39 C40 T42 V56 L67 H69 S70F14-H54 HydrophobicContact CE1-CB 4.38Å; F14-H54 AromaticContact CE1-CD2 3.42Å; F14-H54 VanDerWaalsContact CE1-CD2 3.42Å; F14-H54 WeakPolarHBondContact CE1-CD2 3.48Å; F14-H54 AromaticContact CE1-CE1 3.95Å; F14-H54 AromaticContact CE1-CG 3.75Å; F14-H54 AromaticContact CE1-NE2 3.54Å; F14-H54 HydrophobicContact CZ-CB 3.87Å; F14-H54 AromaticContact CZ-CD2 3.66Å; F14-H54 AromaticContact CZ-CG 3.74Å; E19-H54 IonicContact OE1-NE2 3.94Å; E19-H54 IonicContact OE2-CD2 2.87Å; E19-H54 IonicContact OE2-CE1 3.52Å; E19-H54 IonicContact OE2-NE2 3.71Å; E19-H54 PolarHBondContact OE2-NE2 2.83Å; L39-H54 CarbonylContact C-O 3.58Å; L39-H54 WeakPolarHBondContact CA-O 3.31Å; C40-H54 HydrophobicContact CB-CB 4.35Å; C40-H54 PolarHBondContact N-O 3.45Å; C40-H54 PolarHBondContact O-N 3.09Å; T42-H54 PolarHBondContact OG1-CD2 3.28Å; T42-H54 PolarHBondContact OG1-NE2 2.76Å; T42-H54 VanDerWaalsContact OG1-NE2 3.15Å; H54-V56 HydrophobicContact CB-CG2 4.42Å; H54-L67 HydrophobicContact CB-CD2 3.86Å; H54-H69 WeakPolarHBondContact CA-O 3.47Å; H54-S70 PolarHBondContact CE1-OG 3.23Å; H54-S70 VanDerWaalsContact ND1-CB 3.29Å; H54-S70 WeakPolarHBondContact ND1-CB 3.43Å; H54-S70 PolarHBondContact ND1-OG 2.92Å; H54-S70 VanDerWaalsContact ND1-OG 3.12Å
55E91.2Very high82.6Confident4 Ų480.7 Ų80.72%0.01938%0.376CS..EExtended strand (participates in β ladder)trans-102.3121.3164.7-177.6168.1-154.400109.4T29 T37 Y38 L39 F68 H69 W71 W114T29-E55 WeakPolarHBondContact CG2-OE1 3.41Å; T37-E55 WeakPolarHBondContact CB-OE1 3.31Å; T37-E55 PolarHBondContact OG1-OE1 2.79Å; Y38-E55 CarbonylContact O-C 3.58Å; Y38-E55 WeakPolarHBondContact O-CA 3.47Å; L39-E55 HydrophobicContact CD2-CB 4.07Å; L39-E55 HydrophobicContact CD2-CG 4.47Å; E55-F68 HydrophobicContact CB-CB 4.34Å; E55-F68 HydrophobicContact CG-CB 4.07Å; E55-F68 HydrophobicContact CG-CD1 4.24Å; E55-F68 WeakPolarHBondContact O-CA 3.39Å; E55-F68 WeakPolarHBondContact O-CB 3.42Å; E55-F68 PolarHBondContact O-N 2.86Å; E55-F68 WeakPolarHBondContact OE2-CD1 3.43Å; E55-H69 HydrophobicContact CB-CB 4.2Å; E55-H69 PolarHBondContact N-O 3.45Å; E55-H69 PolarHBondContact O-N 3.01Å; E55-H69 IonicContact OE2-ND1 3.71Å; E55-H69 PolarHBondContact OE2-ND1 3.36Å; E55-W71 HydrophobicContact CB-CH2 4.28Å; E55-W71 HydrophobicContact CB-CZ3 4.04Å; E55-W114 PolarHBondContact OE1-NE1 2.87Å
56V90Very high82.9Confident0 Ų076.1 Ų76.10%036%0.364CS..EExtended strand (participates in β ladder)trans-116.3139-175.6-178.30000109.4I9 L13 F14 T37 Y38 H54 F65 L67I9-V56 HydrophobicContact CD1-CG1 4.44Å; I9-V56 HydrophobicContact CG1-CG1 4.49Å; I9-V56 HydrophobicContact CG2-CG1 4.28Å; I9-V56 HydrophobicContact CG2-CG2 4.26Å; L13-V56 HydrophobicContact CD1-CG1 3.71Å; L13-V56 HydrophobicContact CD1-CG2 4.25Å; F14-V56 HydrophobicContact CE2-CG2 4.38Å; F14-V56 HydrophobicContact CZ-CG2 4.29Å; T37-V56 CarbonylContact C-O 3.57Å; T37-V56 WeakPolarHBondContact CA-O 3.43Å; T37-V56 WeakPolarHBondContact CB-O 3.41Å; Y38-V56 PolarHBondContact N-O 3.46Å; Y38-V56 PolarHBondContact O-N 2.83Å; H54-V56 HydrophobicContact CB-CG2 4.42Å; V56-F65 HydrophobicContact CG1-CB 3.88Å; V56-F65 HydrophobicContact CG1-CD1 3.95Å; V56-F65 HydrophobicContact CG1-CG 4.29Å; V56-L67 HydrophobicContact CG2-CD2 4.07Å
57F87.6Confident83.3Confident60 Ų6073 Ų7326%0.26335%0.354SS..EExtended strand (participates in β ladder)trans-128.6157.6173.876-76.1000111T37 N59 F65 A66 F68T37-F57 HydrophobicContact CG2-CB 3.9Å; F57-N59 HydrophobicContact CE2-CB 4.23Å; F57-F65 WeakPolarHBondContact O-CA 3.34Å; F57-A66 HydrophobicContact CD1-CB 4.37Å; F57-A66 VanDerWaalsContact CD1-O 3.27Å; F57-A66 WeakPolarHBondContact CD1-O 3.45Å; F57-A66 HydrophobicContact CE1-CB 3.77Å; F57-A66 HydrophobicContact CZ-CB 3.94Å; F57-A66 PolarHBondContact N-O 3.43Å; F57-A66 PolarHBondContact O-N 3.26Å; F57-F68 HydrophobicContact CD1-CB 3.7Å; F57-F68 AromaticContact CD1-CD2 3.95Å; F57-F68 HydrophobicContact CD1-CD2 3.95Å; F57-F68 HydrophobicContact CD1-CG 4.19Å; F57-F68 HydrophobicContact CE1-CB 4.2Å; F57-F68 AromaticContact CE1-CD2 3.95Å; F57-F68 HydrophobicContact CE1-CD2 3.95Å
58L85Confident84Confident71 Ų7170.3 Ų70.337%0.37234%0.34SS..EExtended strand (participates in β ladder)trans-91.1121.2175-17765000109.5E60 F65L58-E60 PolarHBondContact O-N 2.7Å; L58-F65 HydrophobicContact CB-CD1 4.19Å; L58-F65 HydrophobicContact CB-CE1 4.03Å; L58-F65 HydrophobicContact CD1-CD1 4.07Å; L58-F65 HydrophobicContact CD1-CD2 4.47Å; L58-F65 HydrophobicContact CD1-CE1 3.97Å; L58-F65 HydrophobicContact CD1-CE2 4.36Å; L58-F65 HydrophobicContact CD1-CG 4.33Å; L58-F65 HydrophobicContact CD1-CZ 4.11Å
59N80.5Confident84.7Confident51 Ų5168.9 Ų68.927%0.27333%0.325SS..EExtended strand (participates in β ladder)trans-82.9104.3175.2-173.4-13.5000110.1F57 K61 I62 Q63 R64F57-N59 HydrophobicContact CE2-CB 4.23Å; N59-K61 PolarHBondContact O-N 2.96Å; N59-K61 VanDerWaalsContact O-N 3.1Å; N59-K61 PolarHBondContact OD1-N 3.02Å; N59-I62 PolarHBondContact O-N 3.23Å; N59-Q63 WeakPolarHBondContact O-CA 3.5Å; N59-Q63 PolarHBondContact O-N 2.99Å; N59-R64 PolarHBondContact N-O 3.24Å
60E78.3Confident85.1Confident163 Ų16370.1 Ų70.176%0.76233%0.334SS*.THydrogen-bonded Turntrans-57.6-28.1-174.5-65.3-176.2172.900114.4L58 Q63L58-E60 PolarHBondContact O-N 2.7Å; E60-Q63 PolarHBondContact O-NE2 2.72Å; E60-Q63 VanDerWaalsContact O-NE2 3.11Å
61K77.1Confident85.4Confident199 Ų19968.9 Ų68.987%0.86532%0.324SS*.THydrogen-bonded Turntrans-72.9-37.1-179.7-69.5-173.6179.6-1780113.2N59N59-K61 PolarHBondContact O-N 2.96Å; N59-K61 VanDerWaalsContact O-N 3.1Å; N59-K61 PolarHBondContact OD1-N 3.02Å
62I79Confident85.4Confident109 Ų10970.8 Ų70.856%0.55933%0.334SS*.THydrogen-bonded Turntrans-104-13.4-173.3-51.8175.3000110.5N59 R64N59-I62 PolarHBondContact O-N 3.23Å; I62-R64 HydrophobicContact CG2-CB 4.23Å; I62-R64 HydrophobicContact CG2-CG 4.16Å; I62-R64 PolarHBondContact O-N 3.16Å
63Q79.4Confident85.2Confident131 Ų13167 Ų6761%0.61232%0.32SS*.THydrogen-bonded Turntrans5436.9-174.2-65.1-70.8-30.400112.3N59 E60N59-Q63 WeakPolarHBondContact O-CA 3.5Å; N59-Q63 PolarHBondContact O-N 2.99Å; E60-Q63 PolarHBondContact O-NE2 2.72Å; E60-Q63 VanDerWaalsContact O-NE2 3.11Å
64R81.8Confident84.7Confident167 Ų16768.5 Ų68.563%0.6333%0.331SS*.EExtended strand (participates in β ladder)trans-128150.7176-73-172.9179.2176.6-1111N59 I62N59-R64 PolarHBondContact N-O 3.24Å; I62-R64 HydrophobicContact CG2-CB 4.23Å; I62-R64 HydrophobicContact CG2-CG 4.16Å; I62-R64 PolarHBondContact O-N 3.16Å
65F84.6Confident84.5Confident29 Ų2972.9 Ų72.913%0.12735%0.351CS..EExtended strand (participates in β ladder)trans-74.2143.1174.6-68-76.9000110.9V5 I9 E12 L13 Y38 V56 F57 L58V5-F65 HydrophobicContact CG1-CZ 4.27Å; I9-F65 HydrophobicContact CD1-CD1 4.39Å; I9-F65 HydrophobicContact CD1-CE1 4.29Å; I9-F65 HydrophobicContact CG1-CD1 3.98Å; I9-F65 HydrophobicContact CG1-CD2 3.92Å; I9-F65 HydrophobicContact CG1-CE1 4.1Å; I9-F65 HydrophobicContact CG1-CE2 4.06Å; I9-F65 HydrophobicContact CG1-CG 3.88Å; I9-F65 HydrophobicContact CG1-CZ 4.15Å; E12-F65 WeakPolarHBondContact OE2-CD2 3.41Å; E12-F65 PolarHBondContact OE2-N 3.43Å; L13-F65 HydrophobicContact CD1-CB 3.85Å; L13-F65 HydrophobicContact CG-CB 4.44Å; Y38-F65 HydrophobicContact CD2-CE1 4.27Å; Y38-F65 AromaticContact CE2-CE1 3.97Å; Y38-F65 HydrophobicContact CE2-CE1 3.97Å; V56-F65 HydrophobicContact CG1-CB 3.88Å; V56-F65 HydrophobicContact CG1-CD1 3.95Å; V56-F65 HydrophobicContact CG1-CG 4.29Å; F57-F65 WeakPolarHBondContact O-CA 3.34Å; L58-F65 HydrophobicContact CB-CD1 4.19Å; L58-F65 HydrophobicContact CB-CE1 4.03Å; L58-F65 HydrophobicContact CD1-CD1 4.07Å; L58-F65 HydrophobicContact CD1-CD2 4.47Å; L58-F65 HydrophobicContact CD1-CE1 3.97Å; L58-F65 HydrophobicContact CD1-CE2 4.36Å; L58-F65 HydrophobicContact CD1-CG 4.33Å; L58-F65 HydrophobicContact CD1-CZ 4.11Å
66A84.2Confident84.2Confident29 Ų2972.9 Ų72.924%0.2435%0.351CS..EExtended strand (participates in β ladder)trans-136150175.300000110.4F57F57-A66 HydrophobicContact CD1-CB 4.37Å; F57-A66 VanDerWaalsContact CD1-O 3.27Å; F57-A66 WeakPolarHBondContact CD1-O 3.45Å; F57-A66 HydrophobicContact CE1-CB 3.77Å; F57-A66 HydrophobicContact CZ-CB 3.94Å; F57-A66 PolarHBondContact N-O 3.43Å; F57-A66 PolarHBondContact O-N 3.26Å
67L85Confident83.8Confident73 Ų7380.5 Ų80.538%0.38238%0.38SS..EExtended strand (participates in β ladder)trans-72.5128174-72.7164.3000109.8L13 F14 H54 V56L13-L67 HydrophobicContact CD1-CG 4.35Å; F14-L67 HydrophobicContact CE1-CD2 4.22Å; F14-L67 HydrophobicContact CZ-CD2 3.99Å; H54-L67 HydrophobicContact CB-CD2 3.86Å; V56-L67 HydrophobicContact CG2-CD2 4.07Å
68F83.5Confident83.6Confident114 Ų11479.3 Ų79.350%0.538%0.378SS..EExtended strand (participates in β ladder)trans-92-51172-162.1-124.6000110.6E55 F57E55-F68 HydrophobicContact CB-CB 4.34Å; E55-F68 HydrophobicContact CG-CB 4.07Å; E55-F68 HydrophobicContact CG-CD1 4.24Å; E55-F68 WeakPolarHBondContact O-CA 3.39Å; E55-F68 WeakPolarHBondContact O-CB 3.42Å; E55-F68 PolarHBondContact O-N 2.86Å; E55-F68 WeakPolarHBondContact OE2-CD1 3.43Å; F57-F68 HydrophobicContact CD1-CB 3.7Å; F57-F68 AromaticContact CD1-CD2 3.95Å; F57-F68 HydrophobicContact CD1-CD2 3.95Å; F57-F68 HydrophobicContact CD1-CG 4.19Å; F57-F68 HydrophobicContact CE1-CB 4.2Å; F57-F68 AromaticContact CE1-CD2 3.95Å; F57-F68 HydrophobicContact CE1-CD2 3.95Å
69H87.2Confident83.5Confident68 Ų6876.2 Ų76.232%0.31536%0.362SS..EExtended strand (participates in β ladder)trans-143.5153.1176.6-62.9112.5000110.6H54 E55 W71H54-H69 WeakPolarHBondContact CA-O 3.47Å; E55-H69 HydrophobicContact CB-CB 4.2Å; E55-H69 PolarHBondContact N-O 3.45Å; E55-H69 PolarHBondContact O-N 3.01Å; E55-H69 IonicContact OE2-ND1 3.71Å; E55-H69 PolarHBondContact OE2-ND1 3.36Å; H69-W71 HydrophobicContact CB-CD2 4.36Å; H69-W71 HydrophobicContact CB-CE3 4.25Å; H69-W71 HydrophobicContact CB-CH2 3.19Å; H69-W71 HydrophobicContact CB-CZ2 3.3Å; H69-W71 HydrophobicContact CB-CZ3 3.7Å; H69-W71 AromaticContact CG-CH2 3.68Å; H69-W71 AromaticContact CG-CZ2 3.59Å; H69-W71 AromaticContact ND1-CH2 3.85Å
70S88.2Confident83.3Confident58 Ų5875 Ų7541%0.40636%0.355SS..EExtended strand (participates in β ladder)trans-139.4129.8176.2172.80000108.3H54H54-S70 PolarHBondContact CE1-OG 3.23Å; H54-S70 VanDerWaalsContact ND1-CB 3.29Å; H54-S70 WeakPolarHBondContact ND1-CB 3.43Å; H54-S70 PolarHBondContact ND1-OG 2.92Å; H54-S70 VanDerWaalsContact ND1-OG 3.12Å
71W90.1Very high83Confident23 Ų2367.4 Ų67.49%0.08732%0.321CS..EExtended strand (participates in β ladder)trans-129.4139.3178.7-57.5-78000110.2R52 L53 E55 H69 I106 V108 H112 W114R52-W71 WeakPolarHBondContact CA-O 3.28Å; L53-W71 HydrophobicContact CD2-CE3 4.35Å; L53-W71 HydrophobicContact CG-CE3 4.27Å; L53-W71 PolarHBondContact N-O 3.01Å; L53-W71 PolarHBondContact O-N 3.2Å; E55-W71 HydrophobicContact CB-CH2 4.28Å; E55-W71 HydrophobicContact CB-CZ3 4.04Å; H69-W71 HydrophobicContact CB-CD2 4.36Å; H69-W71 HydrophobicContact CB-CE3 4.25Å; H69-W71 HydrophobicContact CB-CH2 3.19Å; H69-W71 HydrophobicContact CB-CZ2 3.3Å; H69-W71 HydrophobicContact CB-CZ3 3.7Å; H69-W71 AromaticContact CG-CH2 3.68Å; H69-W71 AromaticContact CG-CZ2 3.59Å; H69-W71 AromaticContact ND1-CH2 3.85Å; W71-I106 HydrophobicContact CE3-CD1 4.31Å; W71-V108 HydrophobicContact CG-CG2 4.21Å; W71-H112 AromaticContact CZ2-CE1 3.84Å; W71-H112 AromaticContact CZ2-ND1 3.94Å; W71-H112 AromaticContact CZ2-NE2 3.9Å; W71-W114 HydrophobicContact CH2-CH2 4.04Å; W71-W114 AromaticContact CH2-CZ2 3.75Å; W71-W114 HydrophobicContact CH2-CZ2 3.75Å; W71-W114 HydrophobicContact CZ3-CH2 4.18Å; W71-W114 HydrophobicContact CZ3-CZ2 4.06Å
72L88.5Confident82.2Confident48 Ų4859.5 Ų59.525%0.25129%0.288SS..EExtended strand (participates in β ladder)trans-72.1133.8166.5-75.7153.2000108.5R52 S74 E75R52-L72 HydrophobicContact CG-CD2 3.93Å; R52-L72 HydrophobicContact CG-CG 4.43Å; L72-S74 PolarHBondContact O-N 3.05Å; L72-S74 VanDerWaalsContact O-N 3.1Å; L72-E75 HydrophobicContact CB-CG 3.93Å; L72-E75 WeakPolarHBondContact CD1-OE1 3.44Å; L72-E75 PolarHBondContact N-OE2 3.14Å; L72-E75 WeakPolarHBondContact O-CB 3.48Å; L72-E75 PolarHBondContact O-N 3.22Å
73L86.1Confident80.9Confident1 Ų157.3 Ų57.31%0.00528%0.278CS..THydrogen-bonded Turntrans-65.2-16.6179.4-82.7171.8000112.8V41 P51 L53 E75 V76 V129 V132 L137V41-L73 HydrophobicContact CG1-CD1 3.99Å; P51-L73 HydrophobicContact CB-CB 4.29Å; P51-L73 HydrophobicContact CB-CD1 3.83Å; P51-L73 HydrophobicContact CG-CB 4.25Å; P51-L73 PolarHBondContact O-N 3.45Å; L53-L73 HydrophobicContact CB-CD2 4.06Å; L53-L73 HydrophobicContact CB-CG 4.36Å; L73-E75 VanDerWaalsContact C-N 3.33Å; L73-V76 HydrophobicContact CD2-CG2 4.22Å; L73-V129 HydrophobicContact CD2-CG1 3.99Å; L73-V132 HydrophobicContact CD1-CG1 3.97Å; L73-L137 HydrophobicContact CB-CD1 4.07Å; L73-L137 WeakPolarHBondContact O-CD1 3.27Å
74S82Confident79.4Confident37 Ų3754 Ų5426%0.25927%0.267SS..THydrogen-bonded Turntrans-70.5-25.7169.8510000113.6L72L72-S74 PolarHBondContact O-N 3.05Å; L72-S74 VanDerWaalsContact O-N 3.1Å
75E84.6Confident77.4Confident96 Ų9657.4 Ų57.445%0.44928%0.28SS..THydrogen-bonded Turntrans-86.1-15.7-179.2-63.2168.4165.700112.2L72 L73 R77 V108L72-E75 HydrophobicContact CB-CG 3.93Å; L72-E75 WeakPolarHBondContact CD1-OE1 3.44Å; L72-E75 PolarHBondContact N-OE2 3.14Å; L72-E75 WeakPolarHBondContact O-CB 3.48Å; L72-E75 PolarHBondContact O-N 3.22Å; L73-E75 VanDerWaalsContact C-N 3.33Å; E75-R77 PolarHBondContact O-N 3.01Å; E75-V108 HydrophobicContact CB-CG1 4.06Å
76V85.2Confident75Confident4 Ų464 Ų642%0.02431%0.309CS..  trans-73.8117.7178.2-174.90000109.1L73 V79 I106 V108 P142L73-V76 HydrophobicContact CD2-CG2 4.22Å; V76-V79 HydrophobicContact CG1-CG2 3.75Å; V76-I106 HydrophobicContact CG1-CB 4.19Å; V76-V108 HydrophobicContact CG2-CG2 4.08Å; V76-P142 HydrophobicContact CB-CB 4.36Å; V76-P142 HydrophobicContact CG1-CB 4.14Å; V76-P142 WeakPolarHBondContact O-CA 3.46Å; V76-P142 VanDerWaalsContact O-CB 3.27Å; V76-P142 WeakPolarHBondContact O-CB 3.48Å
77R82.4Confident72.6Confident159 Ų15968.4 Ų68.460%0.633%0.332SS*.  trans-84.4-46.8-178.6-58.1-175-167.3-175.29.7112E75 T107 V108 D109 P142 E143E75-R77 PolarHBondContact O-N 3.01Å; R77-T107 PolarHBondContact N-O 3.02Å; R77-V108 WeakPolarHBondContact CD-O 3.18Å; R77-V108 PolarHBondContact NE-O 2.96Å; R77-D109 IonicContact NH2-OD1 3.18Å; R77-D109 PolarHBondContact NH2-OD1 2.89Å; R77-D109 VanDerWaalsContact NH2-OD1 3.09Å; R77-P142 WeakPolarHBondContact O-CA 3.45Å; R77-E143 PolarHBondContact O-N 3.3Å
78V82.3Confident69.9Low36 Ų3671 Ų7122%0.21835%0.346CS..EExtended strand (participates in β ladder)trans-135.5134.2-176.4-176.10000110D80 I106 T107 E143 V145V78-D80 HydrophobicContact CG1-CB 4.43Å; V78-I106 CarbonylContact O-C 3.32Å; V78-I106 VanDerWaalsContact O-CA 3.32Å; V78-I106 WeakPolarHBondContact O-CA 3.48Å; V78-T107 PolarHBondContact N-O 2.85Å; V78-T107 PolarHBondContact O-N 3.43Å; V78-E143 CarbonylContact C-O 3.58Å; V78-E143 WeakPolarHBondContact CA-O 3.42Å; V78-E143 HydrophobicContact CG2-CB 4.48Å; V78-V145 HydrophobicContact CG1-CG2 3.95Å
79V83.3Confident67.3Low6 Ų676.8 Ų76.84%0.03637%0.365CS..EExtended strand (participates in β ladder)trans-114.5108167.6179.20000107.5V76 L104 I106 P142 E143 F144 V145 I147V76-V79 HydrophobicContact CG1-CG2 3.75Å; V79-L104 HydrophobicContact CG1-CD1 4.34Å; V79-I106 HydrophobicContact CG1-CG2 4.42Å; V79-I106 HydrophobicContact CG2-CG2 4.22Å; V79-P142 HydrophobicContact CG2-CB 3.99Å; V79-P142 HydrophobicContact CG2-CG 4.46Å; V79-E143 PolarHBondContact N-O 2.86Å; V79-F144 HydrophobicContact CB-CD1 3.8Å; V79-F144 HydrophobicContact CB-CE1 3.86Å; V79-F144 HydrophobicContact CB-CG 4.46Å; V79-F144 HydrophobicContact CG1-CD1 3.94Å; V79-F144 HydrophobicContact CG1-CE1 3.91Å; V79-F144 HydrophobicContact CG2-CD1 4.48Å; V79-F144 HydrophobicContact CG2-CE1 4.1Å; V79-F144 HydrophobicContact CG2-CZ 4.38Å; V79-F144 WeakPolarHBondContact O-CA 3.47Å; V79-V145 PolarHBondContact O-N 2.92Å; V79-I147 WeakPolarHBondContact O-CD1 3.45Å
80D77.8Confident64.5Low24 Ų2481.1 Ų81.113%0.12839%0.39CS..EExtended strand (participates in β ladder)trans-106.5122.7-177.3-162.9-20.9000111.3V78 I82 E105 V145 N146V78-D80 HydrophobicContact CG1-CB 4.43Å; D80-I82 VanDerWaalsContact C-N 3.3Å; D80-I82 HydrophobicContact CB-CD1 4.32Å; D80-I82 HydrophobicContact CB-CG1 3.9Å; D80-I82 PolarHBondContact O-N 2.87Å; D80-I82 WeakPolarHBondContact OD1-CG1 3.41Å; D80-I82 PolarHBondContact OD1-N 2.99Å; D80-I82 VanDerWaalsContact OD2-CG1 3.24Å; D80-I82 WeakPolarHBondContact OD2-CG1 3.47Å; D80-E105 HydrophobicContact CB-CB 4.35Å; D80-E105 PolarHBondContact N-O 3.49Å; D80-E105 PolarHBondContact O-N 3.39Å; D80-V145 WeakPolarHBondContact CA-O 3.28Å; D80-N146 WeakPolarHBondContact OD1-CB 3.46Å; D80-N146 PolarHBondContact OD1-ND2 3.47Å; D80-N146 PolarHBondContact OD2-ND2 3.22Å
81G71.4Confident61.7Low5 Ų583.6 Ų83.65%0.05240%0.402CS..  trans-85.911.4177.800000114.9N83 K122 V145G81-N83 PolarHBondContact O-N 3.03Å; G81-K122 WeakPolarHBondContact O-CE 3.44Å; G81-K122 PolarHBondContact O-NZ 3.45Å; G81-V145 PolarHBondContact N-O 3.45Å
82I60Low58.7Low33 Ų3391.8 Ų91.817%0.16944%0.441CS..  trans-12108-169.6-52.3-178000116.8D80 E105D80-I82 VanDerWaalsContact C-N 3.3Å; D80-I82 HydrophobicContact CB-CD1 4.32Å; D80-I82 HydrophobicContact CB-CG1 3.9Å; D80-I82 PolarHBondContact O-N 2.87Å; D80-I82 WeakPolarHBondContact OD1-CG1 3.41Å; D80-I82 PolarHBondContact OD1-N 2.99Å; D80-I82 VanDerWaalsContact OD2-CG1 3.24Å; D80-I82 WeakPolarHBondContact OD2-CG1 3.47Å; I82-E105 HydrophobicContact CD1-CB 4.33Å
83N52.1Low55.8Low63 Ų6394 Ų9434%0.33746%0.461SS..  -149.3128.7101.5-164.526.6000112.6G81 I101G81-N83 PolarHBondContact O-N 3.03Å; N83-I101 HydrophobicContact CB-CB 3.84Å; N83-I101 HydrophobicContact CB-CD1 3.68Å; N83-I101 HydrophobicContact CB-CG1 3.61Å; N83-I101 WeakPolarHBondContact ND2-CD1 3.38Å; N83-I101 VanDerWaalsContact ND2-CG1 3.31Å; N83-I101 WeakPolarHBondContact ND2-CG1 3.28Å
84P47.1Very low53.1Low60 Ų6099.6 Ų99.639%0.3950%0.495SS..  trans-111.466.4-16838.5-25.1000111.9K86P84-K86 WeakPolarHBondContact O-CB 3.35Å; P84-K86 PolarHBondContact O-N 3.11Å
85R39.6Very low50.6Low239 Ų239106 Ų10690%0.90253%0.525SS*.SBendtrans43.916.9177.7-82.8-173.7169.1157.4-0116.8
86K34.2Very low47.8Very low169 Ų169106.1 Ų106.174%0.73554%0.537SS*.  trans-155.673.6-172.3-85.3-170.9174.6175.80111P84P84-K86 WeakPolarHBondContact O-CB 3.35Å; P84-K86 PolarHBondContact O-N 3.11Å
87V34.2Very low45.4Very low120 Ų120116.2 Ų116.273%0.72758%0.576SS**  -119.844.7128.4-168.70000107.5
88N27.8Very low43.1Very low128 Ų128117.4 Ų117.468%0.68459%0.588SS**  trans-106.985166.1-100-15.3000107.8
89R28.8Very low41.1Very low236 Ų236125.2 Ų125.289%0.89162%0.615SS**SBendtrans-123.2110.6141.8-153.3-174.4-98.1178.6-5.7102.9
90L29.2Very low39.6Very low159 Ų159128.4 Ų128.483%0.83264%0.642SS**SBendtrans78.9101.6-163.9-42.6168.5000110.5
91V29.9Very low38.7Very low110 Ų110129.7 Ų129.767%0.66765%0.649SS**  cis-156.3125.9461680000107.9S93V91-S93 PolarHBondContact O-N 2.79Å
92Q26.6Very low38.3Very low195 Ų195131 Ų13191%0.91166%0.656SS**  trans-73.6111.6165.1-79.9167.8-37.600108.6
93S28.1Very low39.1Very low94 Ų94130.9 Ų130.966%0.65766%0.656SS**  trans172.3130.1139.557.10000111.1V91V91-S93 PolarHBondContact O-N 2.79Å
94T28.5Very low40.5Very low118 Ų118128 Ų12872%0.72464%0.641SS**  trans83.896.2151.2-28.90000118.4S96T94-S96 PolarHBondContact O-N 3.42Å
95L29Very low42.2Very low172 Ų172126.8 Ų126.890%0.90163%0.63SS**  trans18.996.1136.5-67.9149.3000116.9
96S27.6Very low44.5Very low98 Ų98115.7 Ų115.769%0.68559%0.588SS**  trans-170.1141.4144.944.60000112T94T94-S96 PolarHBondContact O-N 3.42Å
97Y33.2Very low46.7Very low217 Ų217109.5 Ų109.585%0.85156%0.564SS**  trans5.3128.9169.1-116.6-109.3000119.8Y99Y97-Y99 WeakPolarHBondContact O-CD2 3.42Å; Y97-Y99 PolarHBondContact O-N 2.71Å
98E34.4Very low49Very low183 Ų183104.2 Ų104.286%0.85553%0.532SS*.  trans-46.1102176.6-69174.3147.400113.5A100E98-A100 PolarHBondContact O-N 3.22Å
99Y40.7Very low51.5Low201 Ų201104.7 Ų104.779%0.78854%0.535SS*.  trans-7091.8167.1-76-92.5000109.3Y97 I101Y97-Y99 WeakPolarHBondContact O-CD2 3.42Å; Y97-Y99 PolarHBondContact O-N 2.71Å; Y99-I101 PolarHBondContact O-N 2.93Å
100A52.5Low53.9Low72 Ų7296.6 Ų96.660%0.59551%0.514SS*.  trans-64.8111.4170.300000109.3E98 A119E98-A100 PolarHBondContact O-N 3.22Å; A100-A119 HydrophobicContact CB-CB 4.32Å
101I57.2Low56.4Low52 Ų5293 Ų9327%0.26750%0.499SS..  trans-68.8130.3179.1-58.7-160.2000109.1N83 Y99 D103 K122N83-I101 HydrophobicContact CB-CB 3.84Å; N83-I101 HydrophobicContact CB-CD1 3.68Å; N83-I101 HydrophobicContact CB-CG1 3.61Å; N83-I101 WeakPolarHBondContact ND2-CD1 3.38Å; N83-I101 VanDerWaalsContact ND2-CG1 3.31Å; N83-I101 WeakPolarHBondContact ND2-CG1 3.28Å; Y99-I101 PolarHBondContact O-N 2.93Å; I101-D103 HydrophobicContact CG2-CB 3.9Å; I101-D103 PolarHBondContact O-N 3.01Å; I101-K122 PolarHBondContact O-NZ 2.81Å
102P63.3Low58.8Low33 Ų3389.5 Ų89.521%0.21448%0.475CS..  trans-74.2-0.8-178.124.4-30.2000115.2E115 V116P102-E115 HydrophobicContact CB-CG 3.85Å; P102-E115 HydrophobicContact CG-CG 3.61Å; P102-V116 WeakPolarHBondContact CB-O 3.48Å; P102-V116 WeakPolarHBondContact O-CB 3.31Å; P102-V116 WeakPolarHBondContact O-CG2 3.45Å; P102-V116 PolarHBondContact O-N 3.07Å
103D77.4Confident61.5Low29 Ų2987 Ų8716%0.15546%0.457CS..EExtended strand (participates in β ladder)trans-71.9133.5-173.6-66.8-13.9000112.7I101 R113 W114 K122I101-D103 HydrophobicContact CG2-CB 3.9Å; I101-D103 PolarHBondContact O-N 3.01Å; D103-R113 IonicContact OD2-CZ 2.58Å; D103-R113 IonicContact OD2-NE 3.31Å; D103-R113 IonicContact OD2-NH2 3.09Å; D103-R113 PolarHBondContact OD2-NH2 3.31Å; D103-W114 CarbonylContact C-O 3.59Å; D103-W114 WeakPolarHBondContact CA-O 3.45Å; D103-K122 VanDerWaalsContact O-CE 3.26Å; D103-K122 WeakPolarHBondContact O-CE 3.26Å; D103-K122 PolarHBondContact O-NZ 3.26Å
104L82.3Confident64.3Low4 Ų482.8 Ų82.82%0.02143%0.427CS..EExtended strand (participates in β ladder)trans-124.7132173.717667.6000107.9I25 L39 V79 W114 V116 F125 I126I25-L104 HydrophobicContact CD1-CD2 4.42Å; L39-L104 HydrophobicContact CD1-CD2 4.18Å; V79-L104 HydrophobicContact CG1-CD1 4.34Å; L104-W114 PolarHBondContact N-O 3.33Å; L104-W114 PolarHBondContact O-N 2.71Å; L104-V116 HydrophobicContact CB-CG2 3.86Å; L104-V116 HydrophobicContact CD2-CG2 4.35Å; L104-F125 HydrophobicContact CD2-CD1 4.16Å; L104-F125 HydrophobicContact CD2-CE1 4.19Å; L104-I126 HydrophobicContact CD1-CD1 3.89Å; L104-I126 HydrophobicContact CD1-CG1 3.93Å
105E82.7Confident66.8Low34 Ų3479.9 Ų79.916%0.15941%0.405CS..EExtended strand (participates in β ladder)trans-127.3135-178.8-170.7172.2136.700109.7D80 I82 V111 H112D80-E105 HydrophobicContact CB-CB 4.35Å; D80-E105 PolarHBondContact N-O 3.49Å; D80-E105 PolarHBondContact O-N 3.39Å; I82-E105 HydrophobicContact CD1-CB 4.33Å; E105-V111 HydrophobicContact CG-CG1 3.49Å; E105-V111 VanDerWaalsContact CG-CG1 3.49Å; E105-V111 WeakPolarHBondContact OE1-CG1 3.42Å; E105-H112 WeakPolarHBondContact CA-O 3.29Å
106I86.3Confident69.4Low5 Ų571.8 Ų71.83%0.02636%0.363CS..EExtended strand (participates in β ladder)trans-122.3147.7166.879.7-174.4000109.8L53 W71 V76 V78 V79 V108 H112 W114L53-I106 HydrophobicContact CD2-CD1 3.55Å; W71-I106 HydrophobicContact CE3-CD1 4.31Å; V76-I106 HydrophobicContact CG1-CB 4.19Å; V78-I106 CarbonylContact O-C 3.32Å; V78-I106 VanDerWaalsContact O-CA 3.32Å; V78-I106 WeakPolarHBondContact O-CA 3.48Å; V79-I106 HydrophobicContact CG1-CG2 4.42Å; V79-I106 HydrophobicContact CG2-CG2 4.22Å; I106-V108 HydrophobicContact CD1-CG2 4.35Å; I106-V108 HydrophobicContact CG1-CG2 4.45Å; I106-H112 HydrophobicContact CG1-CB 4.19Å; I106-H112 PolarHBondContact N-O 3.09Å; I106-H112 PolarHBondContact O-N 3.36Å; I106-W114 HydrophobicContact CB-CZ3 4.13Å; I106-W114 HydrophobicContact CD1-CH2 3.45Å; I106-W114 VanDerWaalsContact CD1-CH2 3.45Å; I106-W114 HydrophobicContact CD1-CZ3 3.73Å; I106-W114 HydrophobicContact CG1-CH2 3.62Å; I106-W114 HydrophobicContact CG1-CZ3 3.53Å; I106-W114 HydrophobicContact CG2-CZ3 3.95Å
107T81.2Confident72Confident39 Ų3970.1 Ų70.124%0.23935%0.35CS..EExtended strand (participates in β ladder)trans-117.8116.2176.1-39.10000108.7R77 V78 V111R77-T107 PolarHBondContact N-O 3.02Å; V78-T107 PolarHBondContact N-O 2.85Å; V78-T107 PolarHBondContact O-N 3.43Å; T107-V111 HydrophobicContact CG2-CG2 4.13Å
108V83.3Confident74.1Confident9 Ų965.1 Ų65.16%0.05533%0.333CS..SBendtrans-106.4-91.8170.9-175.60000106.8W71 E75 V76 R77 I106 S110W71-V108 HydrophobicContact CG-CG2 4.21Å; E75-V108 HydrophobicContact CB-CG1 4.06Å; V76-V108 HydrophobicContact CG2-CG2 4.08Å; R77-V108 WeakPolarHBondContact CD-O 3.18Å; R77-V108 PolarHBondContact NE-O 2.96Å; I106-V108 HydrophobicContact CD1-CG2 4.35Å; I106-V108 HydrophobicContact CG1-CG2 4.45Å; V108-S110 PolarHBondContact N-O 3.11Å
109D79.6Confident75.8Confident139 Ų13958.5 Ų58.574%0.74331%0.31SS*.SBendtrans-105.7-35.1164.6-64.6-37.9000111.5R77R77-D109 IonicContact NH2-OD1 3.18Å; R77-D109 PolarHBondContact NH2-OD1 2.89Å; R77-D109 VanDerWaalsContact NH2-OD1 3.09Å
110S78.8Confident77.4Confident65 Ų6553.2 Ų53.246%0.45530%0.302SS..SBendtrans-110.3156.8168.248.90000111.5V108 H112V108-S110 PolarHBondContact N-O 3.11Å; S110-H112 PolarHBondContact O-CD2 2.9Å; S110-H112 VanDerWaalsContact O-CD2 3.25Å; S110-H112 PolarHBondContact OG-CE1 3.47Å; S110-H112 PolarHBondContact OG-NE2 2.88Å
111V81.1Confident78.7Confident83 Ų8351.4 Ų51.450%0.50328%0.281SS..EExtended strand (participates in β ladder)trans-79.5120.2173.8174.40000109.2E105 T107E105-V111 HydrophobicContact CG-CG1 3.49Å; E105-V111 VanDerWaalsContact CG-CG1 3.49Å; E105-V111 WeakPolarHBondContact OE1-CG1 3.42Å; T107-V111 HydrophobicContact CG2-CG2 4.13Å
112H81.4Confident79.7Confident37 Ų3749.8 Ų49.817%0.17127%0.272CS..EExtended strand (participates in β ladder)trans-110.3124.6173.5-61.3-87.7000109.3W71 E105 I106 S110 W114W71-H112 AromaticContact CZ2-CE1 3.84Å; W71-H112 AromaticContact CZ2-ND1 3.94Å; W71-H112 AromaticContact CZ2-NE2 3.9Å; E105-H112 WeakPolarHBondContact CA-O 3.29Å; I106-H112 HydrophobicContact CG1-CB 4.19Å; I106-H112 PolarHBondContact N-O 3.09Å; I106-H112 PolarHBondContact O-N 3.36Å; S110-H112 PolarHBondContact O-CD2 2.9Å; S110-H112 VanDerWaalsContact O-CD2 3.25Å; S110-H112 PolarHBondContact OG-CE1 3.47Å; S110-H112 PolarHBondContact OG-NE2 2.88Å; H112-W114 HydrophobicContact CB-CE3 4.46Å; H112-W114 HydrophobicContact CB-CH2 3.22Å; H112-W114 HydrophobicContact CB-CZ2 3.63Å; H112-W114 HydrophobicContact CB-CZ3 3.71Å; H112-W114 VanDerWaalsContact O-CZ3 3.29Å; H112-W114 WeakPolarHBondContact O-CZ3 3.39Å
113R82.6Confident80.5Confident142 Ų14252.8 Ų52.854%0.53628%0.284SS..EExtended strand (participates in β ladder)trans-123.6133.9-174-174171.7176.1164.9-0.9111.1D103D103-R113 IonicContact OD2-CZ 2.58Å; D103-R113 IonicContact OD2-NE 3.31Å; D103-R113 IonicContact OD2-NH2 3.09Å; D103-R113 PolarHBondContact OD2-NH2 3.31Å
114W86.4Confident80.6Confident7 Ų753.6 Ų53.63%0.02729%0.291CS..EExtended strand (participates in β ladder)trans-131.5150.3-177.3-64.3-85.5000111V27 T29 L39 E55 W71 D103 L104 I106 H112V27-W114 HydrophobicContact CB-CB 3.99Å; V27-W114 HydrophobicContact CB-CG 4.28Å; V27-W114 HydrophobicContact CG1-CB 4.19Å; V27-W114 HydrophobicContact CG2-CB 4.36Å; V27-W114 HydrophobicContact CG2-CG 4.12Å; T29-W114 HydrophobicContact CG2-CG 4.22Å; L39-W114 HydrophobicContact CD1-CD2 3.89Å; L39-W114 HydrophobicContact CD1-CE3 4.11Å; L39-W114 HydrophobicContact CD1-CG 4.09Å; L39-W114 HydrophobicContact CD2-CH2 4.45Å; L39-W114 HydrophobicContact CD2-CZ2 4.05Å; E55-W114 PolarHBondContact OE1-NE1 2.87Å; W71-W114 HydrophobicContact CH2-CH2 4.04Å; W71-W114 AromaticContact CH2-CZ2 3.75Å; W71-W114 HydrophobicContact CH2-CZ2 3.75Å; W71-W114 HydrophobicContact CZ3-CH2 4.18Å; W71-W114 HydrophobicContact CZ3-CZ2 4.06Å; D103-W114 CarbonylContact C-O 3.59Å; D103-W114 WeakPolarHBondContact CA-O 3.45Å; L104-W114 PolarHBondContact N-O 3.33Å; L104-W114 PolarHBondContact O-N 2.71Å; I106-W114 HydrophobicContact CB-CZ3 4.13Å; I106-W114 HydrophobicContact CD1-CH2 3.45Å; I106-W114 VanDerWaalsContact CD1-CH2 3.45Å; I106-W114 HydrophobicContact CD1-CZ3 3.73Å; I106-W114 HydrophobicContact CG1-CH2 3.62Å; I106-W114 HydrophobicContact CG1-CZ3 3.53Å; I106-W114 HydrophobicContact CG2-CZ3 3.95Å; H112-W114 HydrophobicContact CB-CE3 4.46Å; H112-W114 HydrophobicContact CB-CH2 3.22Å; H112-W114 HydrophobicContact CB-CZ2 3.63Å; H112-W114 HydrophobicContact CB-CZ3 3.71Å; H112-W114 VanDerWaalsContact O-CZ3 3.29Å; H112-W114 WeakPolarHBondContact O-CZ3 3.39Å
115E81.9Confident80.7Confident56 Ų5653.6 Ų53.626%0.26229%0.291SS..EExtended strand (participates in β ladder)trans-104.8116.6167.3-169.1-177.6-170.400109.2V27 L28 K34 P102V27-E115 CarbonylContact C-O 3.53Å; V27-E115 WeakPolarHBondContact CA-O 3.35Å; L28-E115 HydrophobicContact CB-CB 4.29Å; L28-E115 PolarHBondContact N-O 2.87Å; L28-E115 PolarHBondContact O-N 3.39Å; K34-E115 IonicContact NZ-OE2 2.71Å; K34-E115 PolarHBondContact NZ-OE2 3.4Å; P102-E115 HydrophobicContact CB-CG 3.85Å; P102-E115 HydrophobicContact CG-CG 3.61Å
116V83.8Confident80.8Confident2 Ų252.2 Ų52.21%0.01229%0.285CS..EExtended strand (participates in β ladder)trans-78.4125-178.2-173.70000109.7I25 V27 P102 L104 K118 K122I25-V116 HydrophobicContact CD1-CG1 4.13Å; I25-V116 HydrophobicContact CD1-CG2 4.17Å; V27-V116 HydrophobicContact CG1-CG2 4.11Å; P102-V116 WeakPolarHBondContact CB-O 3.48Å; P102-V116 WeakPolarHBondContact O-CB 3.31Å; P102-V116 WeakPolarHBondContact O-CG2 3.45Å; P102-V116 PolarHBondContact O-N 3.07Å; L104-V116 HydrophobicContact CB-CG2 3.86Å; L104-V116 HydrophobicContact CD2-CG2 4.35Å; V116-K118 WeakPolarHBondContact CG1-O 3.46Å; V116-K118 PolarHBondContact O-N 2.91Å; V116-K122 HydrophobicContact CB-CB 4.06Å; V116-K122 HydrophobicContact CG1-CB 3.95Å; V116-K122 HydrophobicContact CG2-CB 4.04Å; V116-K122 HydrophobicContact CG2-CD 4.37Å; V116-K122 HydrophobicContact CG2-CG 4.17Å
117C80.9Confident80.6Confident63 Ų6356.8 Ų56.843%0.42630%0.302SS..SBendtrans-60.1-23.9-174.7-630000114A26A26-C117 HydrophobicContact CB-CB 4.47Å; A26-C117 PolarHBondContact O-N 3.26Å
118K77.6Confident80.7Confident113 Ų11357.8 Ų57.849%0.49130%0.304SS..  trans-136.5121.1177.9-66.6-177.7-175.2176.90111.3V116 S120 E121 K122V116-K118 WeakPolarHBondContact CG1-O 3.46Å; V116-K118 PolarHBondContact O-N 2.91Å; K118-S120 VanDerWaalsContact C-N 3.28Å; K118-S120 PolarHBondContact O-N 2.91Å; K118-E121 HydrophobicContact CB-CB 4.05Å; K118-E121 HydrophobicContact CB-CG 3.86Å; K118-E121 HydrophobicContact CD-CG 4.2Å; K118-E121 WeakPolarHBondContact O-CB 3.31Å; K118-E121 PolarHBondContact O-N 2.79Å; K118-K122 PolarHBondContact O-N 3.42Å; K118-K122 VanDerWaalsContact O-N 3.12Å
119A71.4Confident80.8Confident44 Ų4457.6 Ų57.636%0.36430%0.303SS..Hα-helixtrans-59.7-33.1-179.700000113.9A100 K122 E123A100-A119 HydrophobicContact CB-CB 4.32Å; A119-K122 WeakPolarHBondContact O-CB 3.49Å; A119-K122 PolarHBondContact O-N 2.98Å; A119-E123 PolarHBondContact O-N 3.46Å
120S74.2Confident80.9Confident90 Ų9052.5 Ų52.563%0.62927%0.273SS*.Hα-helixtrans-69.8-33.1174.857.30000113.1K118 K122 S124K118-S120 VanDerWaalsContact C-N 3.28Å; K118-S120 PolarHBondContact O-N 2.91Å; S120-K122 VanDerWaalsContact C-N 3.34Å; S120-S124 PolarHBondContact O-N 2.92Å
121E79Confident81.1Confident33 Ų3353.6 Ų53.615%0.15427%0.27CS..Hα-helixtrans-70.6-33.4175-67-173173.200110.7M1 I25 K118 S124 F125M1-E121 PolarHBondContact N-OE1 3.36Å; I25-E121 HydrophobicContact CG2-CB 4.04Å; K118-E121 HydrophobicContact CB-CB 4.05Å; K118-E121 HydrophobicContact CB-CG 3.86Å; K118-E121 HydrophobicContact CD-CG 4.2Å; K118-E121 WeakPolarHBondContact O-CB 3.31Å; K118-E121 PolarHBondContact O-N 2.79Å; E121-S124 PolarHBondContact O-N 2.8Å; E121-F125 VanDerWaalsContact O-CB 3.24Å; E121-F125 WeakPolarHBondContact O-CB 3.37Å; E121-F125 PolarHBondContact O-N 2.9Å
122K78.4Confident81.2Confident18 Ų1849.8 Ų49.88%0.07825%0.247CC..Hα-helixtrans-56.9-55.7174.1176.4178.8163.3178.90111.9G81 I101 D103 V116 K118 A119 S120 S124 F125 I126G81-K122 WeakPolarHBondContact O-CE 3.44Å; G81-K122 PolarHBondContact O-NZ 3.45Å; I101-K122 PolarHBondContact O-NZ 2.81Å; D103-K122 VanDerWaalsContact O-CE 3.26Å; D103-K122 WeakPolarHBondContact O-CE 3.26Å; D103-K122 PolarHBondContact O-NZ 3.26Å; V116-K122 HydrophobicContact CB-CB 4.06Å; V116-K122 HydrophobicContact CG1-CB 3.95Å; V116-K122 HydrophobicContact CG2-CB 4.04Å; V116-K122 HydrophobicContact CG2-CD 4.37Å; V116-K122 HydrophobicContact CG2-CG 4.17Å; K118-K122 PolarHBondContact O-N 3.42Å; K118-K122 VanDerWaalsContact O-N 3.12Å; A119-K122 WeakPolarHBondContact O-CB 3.49Å; A119-K122 PolarHBondContact O-N 2.98Å; S120-K122 VanDerWaalsContact C-N 3.34Å; K122-S124 VanDerWaalsContact C-N 3.32Å; K122-S124 PolarHBondContact O-N 2.9Å; K122-F125 PolarHBondContact O-N 3.36Å; K122-I126 HydrophobicContact CG-CD1 3.76Å; K122-I126 VanDerWaalsContact O-CG1 3.27Å; K122-I126 WeakPolarHBondContact O-CG1 3.22Å; K122-I126 PolarHBondContact O-N 3.29Å
123E79.2Confident81.4Confident96 Ų9648 Ų4845%0.44924%0.239SC..Hα-helixtrans-61.5-41.4179.3-72-163.3172.200112.3A119 F125 I126 R127A119-E123 PolarHBondContact O-N 3.46Å; E123-F125 VanDerWaalsContact C-N 3.32Å; E123-F125 PolarHBondContact O-N 2.93Å; E123-I126 PolarHBondContact O-N 3.18Å; E123-R127 WeakPolarHBondContact O-CB 3.28Å; E123-R127 VanDerWaalsContact O-CG 3.31Å; E123-R127 WeakPolarHBondContact O-CG 3.32Å; E123-R127 PolarHBondContact O-N 3.02Å; E123-R127 IonicContact OE2-CZ 2.73Å; E123-R127 IonicContact OE2-NH2 3.49Å; E123-R127 PolarHBondContact OE2-NH2 3.1Å
124S79.8Confident81.2Confident46 Ų4644.9 Ų44.932%0.32223%0.23SC..Hα-helixtrans-62.9-40178.2179.50000111.9K23 S120 E121 K122 Q128K23-S124 WeakPolarHBondContact CE-OG 3.3Å; K23-S124 PolarHBondContact NZ-OG 3.33Å; S120-S124 PolarHBondContact O-N 2.92Å; E121-S124 PolarHBondContact O-N 2.8Å; K122-S124 VanDerWaalsContact C-N 3.32Å; K122-S124 PolarHBondContact O-N 2.9Å; S124-Q128 PolarHBondContact O-N 3.47Å; S124-Q128 VanDerWaalsContact O-N 3.14Å
125F85.8Confident80.8Confident4 Ų453.6 Ų53.62%0.01826%0.262CS..Hα-helixtrans-67.7-49.2177.9-175.6-101.9000111.6K23 I25 L39 V41 L53 L104 E121 K122 E123 R127 Q128 V129K23-F125 HydrophobicContact CB-CD2 4.31Å; K23-F125 HydrophobicContact CG-CD2 3.92Å; I25-F125 HydrophobicContact CB-CD2 4.24Å; I25-F125 HydrophobicContact CB-CG 4.5Å; I25-F125 HydrophobicContact CD1-CB 3.82Å; I25-F125 HydrophobicContact CD1-CD1 3.5Å; I25-F125 VanDerWaalsContact CD1-CD1 3.5Å; I25-F125 HydrophobicContact CD1-CD2 3.87Å; I25-F125 HydrophobicContact CD1-CE1 3.94Å; I25-F125 HydrophobicContact CD1-CE2 4.25Å; I25-F125 HydrophobicContact CD1-CG 3.45Å; I25-F125 VanDerWaalsContact CD1-CG 3.45Å; I25-F125 HydrophobicContact CD1-CZ 4.28Å; I25-F125 HydrophobicContact CG1-CB 4.34Å; I25-F125 HydrophobicContact CG1-CD1 4.16Å; I25-F125 HydrophobicContact CG1-CD2 3.64Å; I25-F125 HydrophobicContact CG1-CE1 4.35Å; I25-F125 HydrophobicContact CG1-CE2 3.84Å; I25-F125 HydrophobicContact CG1-CG 3.8Å; I25-F125 HydrophobicContact CG1-CZ 4.19Å; I25-F125 HydrophobicContact CG2-CB 3.71Å; I25-F125 HydrophobicContact CG2-CD2 3.72Å; I25-F125 HydrophobicContact CG2-CG 3.94Å; L39-F125 HydrophobicContact CB-CE1 4.44Å; L39-F125 HydrophobicContact CB-CE2 4.38Å; L39-F125 HydrophobicContact CB-CZ 3.84Å; V41-F125 HydrophobicContact CG2-CE1 4.5Å; V41-F125 HydrophobicContact CG2-CE2 3.64Å; V41-F125 HydrophobicContact CG2-CZ 3.63Å; L53-F125 HydrophobicContact CD1-CE1 4.39Å; L53-F125 HydrophobicContact CD1-CZ 3.75Å; L104-F125 HydrophobicContact CD2-CD1 4.16Å; L104-F125 HydrophobicContact CD2-CE1 4.19Å; E121-F125 VanDerWaalsContact O-CB 3.24Å; E121-F125 WeakPolarHBondContact O-CB 3.37Å; E121-F125 PolarHBondContact O-N 2.9Å; K122-F125 PolarHBondContact O-N 3.36Å; E123-F125 VanDerWaalsContact C-N 3.32Å; E123-F125 PolarHBondContact O-N 2.93Å; F125-R127 VanDerWaalsContact C-N 3.31Å; F125-R127 PolarHBondContact O-N 3.03Å; F125-Q128 WeakPolarHBondContact O-CA 3.48Å; F125-Q128 WeakPolarHBondContact O-CB 3.42Å; F125-Q128 PolarHBondContact O-N 2.97Å; F125-V129 HydrophobicContact CD1-CG2 3.99Å; F125-V129 HydrophobicContact CE1-CG2 3.74Å; F125-V129 HydrophobicContact CZ-CG2 4.09Å; F125-V129 WeakPolarHBondContact O-CG2 3.44Å; F125-V129 PolarHBondContact O-N 3.12Å
126I83.7Confident80.6Confident5 Ų554 Ų543%0.02626%0.262CS..Hα-helixtrans-59.1-43.6178.5-65.3170000110.9L104 K122 E123 Q128 V129 W130 F144 I147L104-I126 HydrophobicContact CD1-CD1 3.89Å; L104-I126 HydrophobicContact CD1-CG1 3.93Å; K122-I126 HydrophobicContact CG-CD1 3.76Å; K122-I126 VanDerWaalsContact O-CG1 3.27Å; K122-I126 WeakPolarHBondContact O-CG1 3.22Å; K122-I126 PolarHBondContact O-N 3.29Å; E123-I126 PolarHBondContact O-N 3.18Å; I126-Q128 VanDerWaalsContact C-N 3.28Å; I126-Q128 PolarHBondContact O-N 3.4Å; I126-V129 PolarHBondContact O-N 2.79Å; I126-W130 WeakPolarHBondContact O-CB 3.35Å; I126-W130 PolarHBondContact O-N 3.18Å; I126-F144 HydrophobicContact CG2-CD1 4.08Å; I126-F144 HydrophobicContact CG2-CE1 4.31Å; I126-I147 HydrophobicContact CD1-CD1 4.42Å; I126-I147 HydrophobicContact CD1-CG1 4.14Å; I126-I147 HydrophobicContact CG2-CB 4.3Å; I126-I147 HydrophobicContact CG2-CD1 3.44Å; I126-I147 VanDerWaalsContact CG2-CD1 3.44Å; I126-I147 HydrophobicContact CG2-CG1 3.81Å; I126-I147 HydrophobicContact CG2-CG2 3.53Å
127R81.5Confident80.2Confident101 Ų10154.8 Ų54.838%0.38127%0.266SS..Hα-helixtrans-59.4-38.5174.1-74.8-178.5-168.5138.816.6112.1E123 F125 K131E123-R127 WeakPolarHBondContact O-CB 3.28Å; E123-R127 VanDerWaalsContact O-CG 3.31Å; E123-R127 WeakPolarHBondContact O-CG 3.32Å; E123-R127 PolarHBondContact O-N 3.02Å; E123-R127 IonicContact OE2-CZ 2.73Å; E123-R127 IonicContact OE2-NH2 3.49Å; E123-R127 PolarHBondContact OE2-NH2 3.1Å; F125-R127 VanDerWaalsContact C-N 3.31Å; F125-R127 PolarHBondContact O-N 3.03Å; R127-K131 WeakPolarHBondContact O-CG 3.42Å; R127-K131 PolarHBondContact O-N 2.86Å
128Q83.4Confident79.5Confident61 Ų6156.9 Ų56.929%0.28528%0.282SS..Hα-helixtrans-68.9-45.2177.4-170.467.521.400111.7K23 S124 F125 I126 W130 K131 V132K23-Q128 HydrophobicContact CB-CB 4.14Å; K23-Q128 HydrophobicContact CB-CG 3.83Å; K23-Q128 HydrophobicContact CG-CB 4.41Å; S124-Q128 PolarHBondContact O-N 3.47Å; S124-Q128 VanDerWaalsContact O-N 3.14Å; F125-Q128 WeakPolarHBondContact O-CA 3.48Å; F125-Q128 WeakPolarHBondContact O-CB 3.42Å; F125-Q128 PolarHBondContact O-N 2.97Å; I126-Q128 VanDerWaalsContact C-N 3.28Å; I126-Q128 PolarHBondContact O-N 3.4Å; Q128-W130 VanDerWaalsContact C-N 3.27Å; Q128-W130 PolarHBondContact O-N 3.11Å; Q128-K131 PolarHBondContact O-N 3.39Å; Q128-V132 HydrophobicContact CG-CG2 4.42Å; Q128-V132 VanDerWaalsContact O-CG2 3.29Å; Q128-V132 WeakPolarHBondContact O-CG2 3.5Å; Q128-V132 PolarHBondContact O-N 2.89Å
129V85.6Confident78.8Confident5 Ų555.3 Ų55.33%0.0329%0.285CS..Hα-helixtrans-56.4-46175.3-179.60000109.5V41 L73 F125 I126 K131 V132 C133 F144V41-V129 HydrophobicContact CG2-CG2 3.57Å; L73-V129 HydrophobicContact CD2-CG1 3.99Å; F125-V129 HydrophobicContact CD1-CG2 3.99Å; F125-V129 HydrophobicContact CE1-CG2 3.74Å; F125-V129 HydrophobicContact CZ-CG2 4.09Å; F125-V129 WeakPolarHBondContact O-CG2 3.44Å; F125-V129 PolarHBondContact O-N 3.12Å; I126-V129 PolarHBondContact O-N 2.79Å; V129-K131 PolarHBondContact O-N 2.86Å; V129-V132 PolarHBondContact O-N 3.32Å; V129-C133 WeakPolarHBondContact O-CB 3.45Å; V129-C133 PolarHBondContact O-N 3.1Å; V129-C133 PolarHBondContact O-SG 3.01Å; V129-F144 HydrophobicContact CB-CE1 4.34Å; V129-F144 HydrophobicContact CB-CZ 4.47Å; V129-F144 HydrophobicContact CG1-CE1 4.1Å; V129-F144 HydrophobicContact CG1-CZ 3.95Å
130W82.7Confident78.7Confident32 Ų3256.2 Ų56.212%0.12128%0.281CS..Hα-helixtrans-58.5-46.1176.7-176.187.3000112.9I126 Q128 V132 C133 H134 F144 I149 I154I126-W130 WeakPolarHBondContact O-CB 3.35Å; I126-W130 PolarHBondContact O-N 3.18Å; Q128-W130 VanDerWaalsContact C-N 3.27Å; Q128-W130 PolarHBondContact O-N 3.11Å; W130-V132 PolarHBondContact O-N 3.08Å; W130-C133 PolarHBondContact O-N 3.03Å; W130-H134 AromaticContact CD1-ND1 3.89Å; W130-H134 AromaticContact CD2-ND1 3.95Å; W130-H134 AromaticContact CE2-CE1 3.57Å; W130-H134 AromaticContact CE2-ND1 3.52Å; W130-H134 AromaticContact CZ2-CE1 3.83Å; W130-H134 AromaticContact CZ2-ND1 3.93Å; W130-H134 AromaticContact CZ2-NE2 3.94Å; W130-H134 AromaticContact NE1-CE1 3.29Å; W130-H134 PolarHBondContact NE1-CE1 3.33Å; W130-H134 VanDerWaalsContact NE1-CE1 3.29Å; W130-H134 AromaticContact NE1-ND1 3.49Å; W130-H134 PolarHBondContact NE1-ND1 2.84Å; W130-H134 WeakPolarHBondContact O-CB 3.4Å; W130-H134 PolarHBondContact O-N 3.46Å; W130-H134 PolarHBondContact O-ND1 3.4Å; W130-F144 VanDerWaalsContact CA-CZ 3.49Å; W130-F144 HydrophobicContact CB-CD1 4.49Å; W130-F144 HydrophobicContact CB-CE1 3.98Å; W130-F144 HydrophobicContact CB-CE2 4.28Å; W130-F144 HydrophobicContact CB-CZ 3.87Å; W130-F144 AromaticContact CD1-CD2 3.61Å; W130-F144 AromaticContact CD1-CE2 3.7Å; W130-F144 AromaticContact CD1-CG 3.97Å; W130-F144 HydrophobicContact CG-CE2 4.37Å; W130-F144 HydrophobicContact CG-CZ 4.43Å; W130-I149 HydrophobicContact CG-CD1 4.25Å; W130-I149 HydrophobicContact CZ2-CG2 4.42Å; W130-I154 HydrophobicContact CH2-CG1 4.47Å; W130-I154 HydrophobicContact CZ2-CG1 4.39Å
131K82.5Confident78.8Confident88 Ų8857.3 Ų57.338%0.38327%0.272SS..Hα-helixtrans-62-41.6177.2-75.3-176.9-178.2-162.90112.3R127 Q128 V129 R135 E153R127-K131 WeakPolarHBondContact O-CG 3.42Å; R127-K131 PolarHBondContact O-N 2.86Å; Q128-K131 PolarHBondContact O-N 3.39Å; V129-K131 PolarHBondContact O-N 2.86Å; K131-R135 WeakPolarHBondContact O-CB 3.03Å; K131-R135 PolarHBondContact O-N 2.85Å; K131-E153 WeakPolarHBondContact CE-OE2 3.44Å; K131-E153 IonicContact NZ-OE1 3.85Å; K131-E153 PolarHBondContact NZ-OE1 3.06Å; K131-E153 IonicContact NZ-OE2 2.63Å; K131-E153 PolarHBondContact NZ-OE2 3.19Å; K131-E153 VanDerWaalsContact NZ-OE2 3.11Å
132V83.8Confident78.8Confident3 Ų356 Ų562%0.01827%0.266CS..Hα-helixtrans-67.4-46.6179.1173.80000110.5L22 V41 I43 P51 L73 Q128 V129 W130 H134 R135 Y136L22-V132 HydrophobicContact CD1-CG1 4.4Å; L22-V132 HydrophobicContact CD1-CG2 3.3Å; V41-V132 HydrophobicContact CG1-CB 4.44Å; V41-V132 HydrophobicContact CG1-CG1 4.25Å; V41-V132 HydrophobicContact CG1-CG2 4.16Å; I43-V132 HydrophobicContact CG2-CG1 4.31Å; P51-V132 HydrophobicContact CB-CG1 3.52Å; L73-V132 HydrophobicContact CD1-CG1 3.97Å; Q128-V132 HydrophobicContact CG-CG2 4.42Å; Q128-V132 VanDerWaalsContact O-CG2 3.29Å; Q128-V132 WeakPolarHBondContact O-CG2 3.5Å; Q128-V132 PolarHBondContact O-N 2.89Å; V129-V132 PolarHBondContact O-N 3.32Å; W130-V132 PolarHBondContact O-N 3.08Å; V132-H134 PolarHBondContact O-N 2.85Å; V132-R135 PolarHBondContact O-N 2.98Å; V132-Y136 HydrophobicContact CG1-CD2 3.94Å; V132-Y136 HydrophobicContact CG1-CE2 4.48Å; V132-Y136 WeakPolarHBondContact O-CD2 3.48Å; V132-Y136 PolarHBondContact O-N 3.31Å
133C84.4Confident78.7Confident0 Ų061.5 Ų61.50%029%0.292CS..Hα-helixtrans-60.3-46.1177.3-64.90000111.2V129 W130 R135 L137 P142V129-C133 WeakPolarHBondContact O-CB 3.45Å; V129-C133 PolarHBondContact O-N 3.1Å; V129-C133 PolarHBondContact O-SG 3.01Å; W130-C133 PolarHBondContact O-N 3.03Å; C133-R135 VanDerWaalsContact C-N 3.27Å; C133-R135 PolarHBondContact O-N 2.64Å; C133-L137 HydrophobicContact CB-CD1 3.97Å; C133-L137 WeakPolarHBondContact O-CA 3.4Å; C133-L137 VanDerWaalsContact O-CB 3.22Å; C133-L137 WeakPolarHBondContact O-CB 3.49Å; C133-L137 PolarHBondContact O-N 3.27Å; C133-P142 HydrophobicContact CB-CG 4.3Å
134H78.3Confident78.8Confident75 Ų7558.6 Ų58.635%0.34728%0.278SS..Hα-helixtrans-67.2-26.5178.1-88.969.8000114.1W130 V132 R141W130-H134 AromaticContact CD1-ND1 3.89Å; W130-H134 AromaticContact CD2-ND1 3.95Å; W130-H134 AromaticContact CE2-CE1 3.57Å; W130-H134 AromaticContact CE2-ND1 3.52Å; W130-H134 AromaticContact CZ2-CE1 3.83Å; W130-H134 AromaticContact CZ2-ND1 3.93Å; W130-H134 AromaticContact CZ2-NE2 3.94Å; W130-H134 AromaticContact NE1-CE1 3.29Å; W130-H134 PolarHBondContact NE1-CE1 3.33Å; W130-H134 VanDerWaalsContact NE1-CE1 3.29Å; W130-H134 AromaticContact NE1-ND1 3.49Å; W130-H134 PolarHBondContact NE1-ND1 2.84Å; W130-H134 WeakPolarHBondContact O-CB 3.4Å; W130-H134 PolarHBondContact O-N 3.46Å; W130-H134 PolarHBondContact O-ND1 3.4Å; V132-H134 PolarHBondContact O-N 2.85Å; H134-R141 PolarHBondContact CD2-NH1 3.09Å; H134-R141 PolarHBondContact NE2-NH1 2.92Å
135R78.3Confident78.5Confident190 Ų19058.6 Ų58.672%0.71728%0.276SS*.Hα-helixtrans-83.9-38.6-178.3-175.7171.3-176.9169.70.4113.2K131 V132 C133K131-R135 WeakPolarHBondContact O-CB 3.03Å; K131-R135 PolarHBondContact O-N 2.85Å; V132-R135 PolarHBondContact O-N 2.98Å; C133-R135 VanDerWaalsContact C-N 3.27Å; C133-R135 PolarHBondContact O-N 2.64Å
136Y77.9Confident77.6Confident66 Ų6661.9 Ų61.926%0.25929%0.294SS..Hα-helixtrans-115.7-18.2-169.9-59.3-71.5000114.1I43 V49 V132I43-Y136 HydrophobicContact CG2-CD2 4.39Å; I43-Y136 HydrophobicContact CG2-CE2 4.16Å; V49-Y136 HydrophobicContact CB-CD1 3.76Å; V49-Y136 HydrophobicContact CB-CE1 3.86Å; V49-Y136 HydrophobicContact CG1-CD1 3.69Å; V49-Y136 HydrophobicContact CG1-CE1 3.62Å; V49-Y136 HydrophobicContact CG1-CE2 4.48Å; V49-Y136 HydrophobicContact CG1-CG 4.14Å; V49-Y136 HydrophobicContact CG2-CD1 4.4Å; V49-Y136 HydrophobicContact CG2-CE1 4.08Å; V132-Y136 HydrophobicContact CG1-CD2 3.94Å; V132-Y136 HydrophobicContact CG1-CE2 4.48Å; V132-Y136 WeakPolarHBondContact O-CD2 3.48Å; V132-Y136 PolarHBondContact O-N 3.31Å
137L75.6Confident76.8Confident18 Ų1863.6 Ų63.69%0.09430%0.302CS..  trans-100.2111.4176.5-55.4173.4000109.7P51 L73 C133 R141P51-L137 HydrophobicContact CG-CD2 3.86Å; P51-L137 HydrophobicContact CG-CG 4.18Å; L73-L137 HydrophobicContact CB-CD1 4.07Å; L73-L137 WeakPolarHBondContact O-CD1 3.27Å; C133-L137 HydrophobicContact CB-CD1 3.97Å; C133-L137 WeakPolarHBondContact O-CA 3.4Å; C133-L137 VanDerWaalsContact O-CB 3.22Å; C133-L137 WeakPolarHBondContact O-CB 3.49Å; C133-L137 PolarHBondContact O-N 3.27Å; L137-R141 HydrophobicContact CB-CG 4.12Å; L137-R141 PolarHBondContact O-NE 3.45Å; L137-R141 PolarHBondContact O-NH2 3.26Å
138S65.6Low75.7Confident107 Ų10763.1 Ų63.175%0.74832%0.315SS*.SBendtrans-82.3-37-178.5-52.40000112.5
139S63.7Low74.5Confident79 Ų7962.5 Ų62.555%0.55231%0.313SS*.SBendtrans-119.9-51.1-164.1-37.20000113.1
140Q68.8Low72.7Confident63 Ų6365.6 Ų65.629%0.29433%0.333SS..  trans-102.898.9-179.9-72.7167.9-14.900109.6E290 M294Q140-E290 PolarHBondContact NE2-OE2 3.47Å; Q140-M294 HydrophobicContact CG-CE 4.24Å
141R76Confident71Confident113 Ų11369.4 Ų69.443%0.42636%0.36SS..  trans-110.5135.8177.2-68.2-177.8-177.6161.19110.1H134 L137H134-R141 PolarHBondContact CD2-NH1 3.09Å; H134-R141 PolarHBondContact NE2-NH1 2.92Å; L137-R141 HydrophobicContact CB-CG 4.12Å; L137-R141 PolarHBondContact O-NE 3.45Å; L137-R141 PolarHBondContact O-NH2 3.26Å
142P79.1Confident69.2Low7 Ų771.7 Ų71.75%0.04538%0.376CS..  trans-59.5142.1171.613.9-22.5000111.7V76 R77 V79 C133 F144V76-P142 HydrophobicContact CB-CB 4.36Å; V76-P142 HydrophobicContact CG1-CB 4.14Å; V76-P142 WeakPolarHBondContact O-CA 3.46Å; V76-P142 VanDerWaalsContact O-CB 3.27Å; V76-P142 WeakPolarHBondContact O-CB 3.48Å; R77-P142 WeakPolarHBondContact O-CA 3.45Å; V79-P142 HydrophobicContact CG2-CB 3.99Å; V79-P142 HydrophobicContact CG2-CG 4.46Å; C133-P142 HydrophobicContact CB-CG 4.3Å; P142-F144 HydrophobicContact CB-CE2 4.26Å; P142-F144 HydrophobicContact CG-CE2 3.89Å; P142-F144 HydrophobicContact CG-CZ 4.15Å; P142-F144 VanDerWaalsContact O-CD2 3.24Å; P142-F144 WeakPolarHBondContact O-CD2 3.44Å; P142-F144 WeakPolarHBondContact O-CE2 3.41Å
143E77.8Confident67.3Low132 Ų13276.3 Ų76.362%0.61740%0.398SS*.EExtended strand (participates in β ladder)trans-77.5125.1169.1-169176-176.600109.6R77 V78 V79 V145R77-E143 PolarHBondContact O-N 3.3Å; V78-E143 CarbonylContact C-O 3.58Å; V78-E143 WeakPolarHBondContact CA-O 3.42Å; V78-E143 HydrophobicContact CG2-CB 4.48Å; V79-E143 PolarHBondContact N-O 2.86Å; E143-V145 HydrophobicContact CG-CG2 4.03Å
144F79.9Confident65.4Low36 Ų3680.5 Ų80.516%0.15842%0.419CS..EExtended strand (participates in β ladder)trans-98.8113.7179.4-71.8-96.7000109.8V79 I126 V129 W130 P142 I147 I149V79-F144 HydrophobicContact CB-CD1 3.8Å; V79-F144 HydrophobicContact CB-CE1 3.86Å; V79-F144 HydrophobicContact CB-CG 4.46Å; V79-F144 HydrophobicContact CG1-CD1 3.94Å; V79-F144 HydrophobicContact CG1-CE1 3.91Å; V79-F144 HydrophobicContact CG2-CD1 4.48Å; V79-F144 HydrophobicContact CG2-CE1 4.1Å; V79-F144 HydrophobicContact CG2-CZ 4.38Å; V79-F144 WeakPolarHBondContact O-CA 3.47Å; I126-F144 HydrophobicContact CG2-CD1 4.08Å; I126-F144 HydrophobicContact CG2-CE1 4.31Å; V129-F144 HydrophobicContact CB-CE1 4.34Å; V129-F144 HydrophobicContact CB-CZ 4.47Å; V129-F144 HydrophobicContact CG1-CE1 4.1Å; V129-F144 HydrophobicContact CG1-CZ 3.95Å; W130-F144 VanDerWaalsContact CA-CZ 3.49Å; W130-F144 HydrophobicContact CB-CD1 4.49Å; W130-F144 HydrophobicContact CB-CE1 3.98Å; W130-F144 HydrophobicContact CB-CE2 4.28Å; W130-F144 HydrophobicContact CB-CZ 3.87Å; W130-F144 AromaticContact CD1-CD2 3.61Å; W130-F144 AromaticContact CD1-CE2 3.7Å; W130-F144 AromaticContact CD1-CG 3.97Å; W130-F144 HydrophobicContact CG-CE2 4.37Å; W130-F144 HydrophobicContact CG-CZ 4.43Å; P142-F144 HydrophobicContact CB-CE2 4.26Å; P142-F144 HydrophobicContact CG-CE2 3.89Å; P142-F144 HydrophobicContact CG-CZ 4.15Å; P142-F144 VanDerWaalsContact O-CD2 3.24Å; P142-F144 WeakPolarHBondContact O-CD2 3.44Å; P142-F144 WeakPolarHBondContact O-CE2 3.41Å; F144-I147 HydrophobicContact CB-CD1 3.81Å; F144-I147 HydrophobicContact CD1-CD1 3.73Å; F144-I147 HydrophobicContact CG-CD1 4.27Å; F144-I149 HydrophobicContact CB-CD1 4.17Å
145V73.9Confident63.6Low45 Ų4579.1 Ų79.127%0.27343%0.425SS..EExtended strand (participates in β ladder)trans-115.1144.5-174.6-173.60000110V78 V79 D80 G81 E143 I147V78-V145 HydrophobicContact CG1-CG2 3.95Å; V79-V145 PolarHBondContact O-N 2.92Å; D80-V145 WeakPolarHBondContact CA-O 3.28Å; G81-V145 PolarHBondContact N-O 3.45Å; E143-V145 HydrophobicContact CG-CG2 4.03Å; V145-I147 WeakPolarHBondContact O-CD1 3.49Å; V145-I147 VanDerWaalsContact O-CG1 3.31Å; V145-I147 WeakPolarHBondContact O-CG1 3.4Å; V145-I147 PolarHBondContact O-N 3.18Å
146N66.9Low61.8Low74 Ų7475.7 Ų75.740%0.39642%0.419SS..SBendtrans58.138.9-179.5-57.9-49000115.5D80D80-N146 WeakPolarHBondContact OD1-CB 3.46Å; D80-N146 PolarHBondContact OD1-ND2 3.47Å; D80-N146 PolarHBondContact OD2-ND2 3.22Å
147I67.4Low60Low40 Ų4075.9 Ų75.921%0.20544%0.435CS..  trans-129.2130.2-176.1-62.2151.1000110.7V79 I126 F144 V145 I149V79-I147 WeakPolarHBondContact O-CD1 3.45Å; I126-I147 HydrophobicContact CD1-CD1 4.42Å; I126-I147 HydrophobicContact CD1-CG1 4.14Å; I126-I147 HydrophobicContact CG2-CB 4.3Å; I126-I147 HydrophobicContact CG2-CD1 3.44Å; I126-I147 VanDerWaalsContact CG2-CD1 3.44Å; I126-I147 HydrophobicContact CG2-CG1 3.81Å; I126-I147 HydrophobicContact CG2-CG2 3.53Å; F144-I147 HydrophobicContact CB-CD1 3.81Å; F144-I147 HydrophobicContact CD1-CD1 3.73Å; F144-I147 HydrophobicContact CG-CD1 4.27Å; V145-I147 WeakPolarHBondContact O-CD1 3.49Å; V145-I147 VanDerWaalsContact O-CG1 3.31Å; V145-I147 WeakPolarHBondContact O-CG1 3.4Å; V145-I147 PolarHBondContact O-N 3.18Å; I147-I149 HydrophobicContact CB-CG1 4.35Å; I147-I149 HydrophobicContact CG2-CD1 4.36Å; I147-I149 HydrophobicContact CG2-CG1 3.7Å; I147-I149 PolarHBondContact O-N 3.3Å
148S58.8Low58.4Low92 Ų9279 Ų7964%0.64346%0.458SS*.  trans-77.383.9175.2-55.60000111
149I57.8Low57Low47 Ų4784.4 Ų84.424%0.24146%0.462CS..  trans-91.3117.6173.7-51175.3000108.2W130 F144 I147 V151W130-I149 HydrophobicContact CG-CD1 4.25Å; W130-I149 HydrophobicContact CZ2-CG2 4.42Å; F144-I149 HydrophobicContact CB-CD1 4.17Å; I147-I149 HydrophobicContact CB-CG1 4.35Å; I147-I149 HydrophobicContact CG2-CD1 4.36Å; I147-I149 HydrophobicContact CG2-CG1 3.7Å; I147-I149 PolarHBondContact O-N 3.3Å; I149-V151 PolarHBondContact O-N 2.58Å
150P47.9Very low55.8Low70 Ų7088.9 Ų88.946%0.45547%0.471SS..  trans-62.8124.6178.7-19.631.4000111.4D152 E153P150-D152 PolarHBondContact O-N 3.42Å; P150-D152 VanDerWaalsContact O-N 3.1Å; P150-E153 PolarHBondContact O-N 2.9Å
151V46.2Very low54.6Low112 Ų11292.2 Ų92.268%0.67949%0.485SS*.THydrogen-bonded Turntrans-59.3-24-174.6-176.80000112.7I149 E153 I154I149-V151 PolarHBondContact O-N 2.58Å; V151-E153 PolarHBondContact O-N 3.4Å; V151-I154 PolarHBondContact O-N 2.72Å
152D44.6Very low53Low137 Ų13791.2 Ų91.273%0.73349%0.491SS*.Hα-helixtrans-72.4-24.9-173.4-66.1-27.6000114.7P150P150-D152 PolarHBondContact O-N 3.42Å; P150-D152 VanDerWaalsContact O-N 3.1Å
153E43.9Very low50.9Low100 Ų10097 Ų9747%0.46752%0.521SS..Hα-helixtrans-79.8-18.5176.2-76.8-16516700112.8K131 P150 V151 G155K131-E153 WeakPolarHBondContact CE-OE2 3.44Å; K131-E153 IonicContact NZ-OE1 3.85Å; K131-E153 PolarHBondContact NZ-OE1 3.06Å; K131-E153 IonicContact NZ-OE2 2.63Å; K131-E153 PolarHBondContact NZ-OE2 3.19Å; K131-E153 VanDerWaalsContact NZ-OE2 3.11Å; P150-E153 PolarHBondContact O-N 2.9Å; V151-E153 PolarHBondContact O-N 3.4Å; E153-G155 PolarHBondContact O-N 3.05Å
154I45.5Very low49Very low88 Ų8895.2 Ų95.245%0.45152%0.516SS..Hα-helixtrans-69.9-32.7-174.1-55.3175.5000111.4W130 V151W130-I154 HydrophobicContact CH2-CG1 4.47Å; W130-I154 HydrophobicContact CZ2-CG1 4.39Å; V151-I154 PolarHBondContact O-N 2.72Å
155G41.1Very low47Very low45 Ų4597 Ų9746%0.46453%0.532SS..Hα-helixtrans-86.4-30.6-174.400000115.6E153E153-G155 PolarHBondContact O-N 3.05Å
156I40.1Very low45.2Very low118 Ų118101.7 Ų101.761%0.60555%0.548SS*.Hα-helixtrans-85.6-34.1-168.9-57.7176.4000111.5K160I156-K160 PolarHBondContact O-N 2.77Å
157A39.8Very low43.9Very low70 Ų70103.1 Ų103.158%0.57956%0.555SS**Hα-helixtrans-67.6-40.817900000112.2F161A157-F161 WeakPolarHBondContact O-CB 3.38Å
158S41Very low42.5Very low83 Ų83106.5 Ų106.558%0.5857%0.573SS**Hα-helixtrans-72.1-33.7-178.9-62.80000113.5V162S158-V162 WeakPolarHBondContact O-CG2 3.46Å
159R37.2Very low41.4Very low222 Ų222110.2 Ų110.284%0.83858%0.578SS**Hα-helixtrans-84.5-33.1-174.8-78.5-173175.7-174.50.1114.8
160K37.4Very low40.4Very low173 Ų173114 Ų11475%0.75260%0.597SS**Hα-helixtrans-75.9-25176.5-95.2-176.3175.8177.70113.2I156I156-K160 PolarHBondContact O-N 2.77Å
161F44.5Very low39.7Very low133 Ų133115.7 Ų115.758%0.58361%0.606SS**Hα-helixtrans-87.8-32.3-170.9-143.5-94.9000114.3A157 L163 L164 C165A157-F161 WeakPolarHBondContact O-CB 3.38Å; F161-L163 PolarHBondContact O-N 3.5Å; F161-L164 PolarHBondContact O-N 2.85Å; F161-L164 VanDerWaalsContact O-N 3.11Å; F161-C165 PolarHBondContact O-N 2.99Å; F161-C165 VanDerWaalsContact O-N 3.1Å
162V42.1Very low39.1Very low92 Ų92118.9 Ų118.956%0.55861%0.611SS**Hα-helixtrans-61-32.4175.7177.30000111.1S158 F166S158-V162 WeakPolarHBondContact O-CG2 3.46Å; V162-F166 HydrophobicContact CG1-CD2 4.21Å; V162-F166 HydrophobicContact CG1-CE2 4.43Å; V162-F166 PolarHBondContact O-N 2.92Å
163L36.2Very low38.5Very low128 Ų128117.9 Ų117.967%0.6761%0.61SS**Hα-helixtrans-72.6-32.1177.3-151.676.2000112.9F161 I167F161-L163 PolarHBondContact O-N 3.5Å; L163-I167 WeakPolarHBondContact O-CG1 3.04Å; L163-I167 PolarHBondContact O-N 3.31Å
164L37.7Very low37.7Very low95 Ų95119 Ų11950%0.49762%0.623SS.*Hα-helixtrans-77.4-37179.3-156.580000112.1F161 F166 I167 L168F161-L164 PolarHBondContact O-N 2.85Å; F161-L164 VanDerWaalsContact O-N 3.11Å; L164-F166 VanDerWaalsContact C-N 3.34Å; L164-F166 PolarHBondContact O-N 2.8Å; L164-I167 PolarHBondContact O-N 2.78Å; L164-L168 PolarHBondContact O-N 2.94Å; L164-L168 VanDerWaalsContact O-N 3.17Å
165C37.5Very low36.8Very low73 Ų73120.7 Ų120.749%0.49364%0.643SS.*Hα-helixtrans-67.9-31.8176.2-97.70000113F161 K169F161-C165 PolarHBondContact O-N 2.99Å; F161-C165 VanDerWaalsContact O-N 3.1Å; C165-K169 PolarHBondContact O-N 2.95Å
166F36.6Very low36Very low143 Ų143121.8 Ų121.863%0.62765%0.654SS**Hα-helixtrans-69.3-34.9174.3-100-82.3000112.7V162 L164V162-F166 HydrophobicContact CG1-CD2 4.21Å; V162-F166 HydrophobicContact CG1-CE2 4.43Å; V162-F166 PolarHBondContact O-N 2.92Å; L164-F166 VanDerWaalsContact C-N 3.34Å; L164-F166 PolarHBondContact O-N 2.8Å
167I38.3Very low35.2Very low105 Ų105125.3 Ų125.354%0.53867%0.668SS.*Hα-helixtrans-71.3-39.7178.2-65.3170.1000111.1L163 L164L163-I167 WeakPolarHBondContact O-CG1 3.04Å; L163-I167 PolarHBondContact O-N 3.31Å; L164-I167 PolarHBondContact O-N 2.78Å
168L38.7Very low34.4Very low110 Ų110130.8 Ų130.858%0.57668%0.682SS**Hα-helixtrans-73.2-29.4-179.5-83.5159.6000113.8L164 V171 F172L164-L168 PolarHBondContact O-N 2.94Å; L164-L168 VanDerWaalsContact O-N 3.17Å; L168-V171 PolarHBondContact O-N 3.25Å; L168-F172 PolarHBondContact O-N 2.81Å
169K35.1Very low33.6Very low171 Ų171135.2 Ų135.274%0.74369%0.691SS**Hα-helixtrans-75.1-24.2179.3-135.8167.5-173.3174.60113.4C165C165-K169 PolarHBondContact O-N 2.95Å
170I36.7Very low32.9Very low126 Ų126132.3 Ų132.365%0.64669%0.687SS**Hα-helixtrans-79.9-28.3175.7-65.6172.5000111.7
171V33.8Very low32.3Very low105 Ų105132.5 Ų132.564%0.63670%0.696SS**Hα-helixtrans-79.7-24.9-179.1176.90000112.5L168L168-V171 PolarHBondContact O-N 3.25Å
172F32.7Very low31.3Very low179 Ų179130.7 Ų130.779%0.78571%0.706SS**THydrogen-bonded Turntrans-92.7-6.6-172.8-129.7-93000115.9L168 V174L168-F172 PolarHBondContact O-N 2.81Å; F172-V174 PolarHBondContact O-N 3.09Å
173T31.8Very low30.3Very low117 Ų117131.5 Ų131.572%0.71872%0.715SS**THydrogen-bonded Turntrans-8911.2179.1420000115.1
174V27Very low29.9Very low122 Ų122133.9 Ų133.974%0.73973%0.728SS**SBendtrans-132.975.8172.6-172.30000110F172F172-V174 PolarHBondContact O-N 3.09Å
175S28.2Very low29.2Very low124 Ų124134 Ų13487%0.86774%0.742SS**  trans-175.190155.1-77.60000108.7
176G24.2Very low28.7Very low69 Ų69134.6 Ų134.671%0.71175%0.753SS**  trans-87.1146-179.800000114
177Q23.1Very low28.2Very low191 Ų191134 Ų13489%0.89376%0.76SS**  trans59.5118.9136.1-67.3-178.1-34.500121.1
178Q23.6Very low27.5Very low185 Ų185133.8 Ų133.886%0.86477%0.769SS**  -172.3112.9123.2-97.9170.33000109.3
179K23.6Very low26.9Very low177 Ų177133.3 Ų133.377%0.7777%0.774SS**  76107.8107.4-85.5-168.1172-166.60115.1
180E21.7Very low26.6Very low161 Ų161133 Ų13375%0.75278%0.781SS**  74.9112.199.9-89.4-176.1161.900113
181D24.8Very low26.3Very low177 Ų177134.6 Ų134.695%0.94779%0.789SS**  trans-150.3121.7149.2-90.8-33.8000109.8
182A23.1Very low26Very low95 Ų95137.5 Ų137.579%0.78580%0.801SS**  trans-110.7130.5173.300000108.4
183S21.7Very low26.1Very low109 Ų109133.7 Ų133.776%0.76280%0.797SS**  trans164.9128.6140.751.70000111
184L27.5Very low26.3Very low178 Ų178135.1 Ų135.193%0.93281%0.805SS**  169.7136.9115.5-87164.5000110.2
185A24.2Very low26.8Very low97 Ų97137 Ų13780%0.80281%0.811SS**  trans-103168.1-166.200000114.6
186A25.9Very low27.4Very low86 Ų86138 Ų13871%0.71181%0.807SS**  trans-17.9150.2154.100000117.2
187T25.9Very low28.5Very low129 Ų129144.5 Ų144.579%0.79182%0.816SS**  -178.7147.95638.40000113.4
188S24.8Very low29.7Very low102 Ų102143.5 Ų143.571%0.71381%0.811SS**  trans53.8133.8135.869.20000127.6
189S26.3Very low31.1Very low99 Ų99140 Ų14069%0.69281%0.807SS**  trans75.712713367.20000124.3
190N27.5Very low32.7Very low165 Ų165137.8 Ų137.888%0.88280%0.802SS**  -174.4146.9117.9-99.9-4.7000115
191I30.2Very low35.2Very low159 Ų159132.6 Ų132.682%0.81578%0.783SS**  trans-105.9145179.8-75.1163.4000108.8
192D29.3Very low37.6Very low167 Ų167128 Ų12889%0.89377%0.769SS**  trans-145.7144.9162.6-101.4-28.9000111.8
193S33.8Very low40.2Very low99 Ų99126.4 Ų126.469%0.69276%0.757SS**  trans-108.5149.1-166.450.20000114.2
194V35.2Very low42.8Very low146 Ų146125.8 Ų125.889%0.88574%0.742SS**  trans-147.6124.4157.3-178.60000110.3
195D39.2Very low45Very low162 Ų162121.7 Ų121.787%0.86672%0.718SS**PPolyproline II helixtrans-91.6145.3-178-79.5-46.3000113.9
196D40.6Very low47.6Very low146 Ų146119.5 Ų119.578%0.78170%0.7SS**PPolyproline II helixtrans-101.9132.4-179.8-81.7-36.2000114.3H198D196-H198 PolarHBondContact O-ND1 3.36Å
197F46.9Very low50Low205 Ų205120.8 Ų120.890%0.89970%0.695SS**PPolyproline II helixtrans-83.6131.6-176.8-167.7-91.9000113
198H47.2Very low52.1Low170 Ų170120.6 Ų120.679%0.78768%0.683SS**  trans-111.3135179.9-72.960.5000112.1D196D196-H198 PolarHBondContact O-ND1 3.36Å
199S52.8Low54.3Low112 Ų112123 Ų12378%0.78368%0.677SS**PPolyproline II helixtrans-97.8146.6178.549.20000111.8S201S199-S201 PolarHBondContact O-N 3.25Å
200I58Low56.7Low129 Ų129120.7 Ų120.766%0.66266%0.663SS**PPolyproline II helixtrans-58.9128.6-175.2-68.9172.3000110.9E204I200-E204 WeakPolarHBondContact CA-OE2 3.44Å; I200-E204 HydrophobicContact CG2-CB 3.84Å
201S74.1Confident58.7Low52 Ų52115.8 Ų115.836%0.36464%0.637SS.*PPolyproline II helixtrans-77.3153.5-178.871.10000112.1S199 A203 E204 E205S199-S201 PolarHBondContact O-N 3.25Å; S201-A203 PolarHBondContact O-N 2.94Å; S201-A203 VanDerWaalsContact O-N 3.14Å; S201-E204 PolarHBondContact N-OE2 2.82Å; S201-E204 PolarHBondContact O-N 2.87Å; S201-E204 VanDerWaalsContact OG-CG 3.31Å; S201-E204 WeakPolarHBondContact OG-CG 3.29Å; S201-E204 PolarHBondContact OG-N 2.87Å; S201-E204 PolarHBondContact OG-OE2 2.95Å; S201-E204 VanDerWaalsContact OG-OE2 3.11Å; S201-E205 PolarHBondContact O-N 3.01Å
202A75.7Confident60.5Low80 Ų80112.6 Ų112.666%0.66162%0.621SS**Hα-helixtrans-59.2-25.4174.100000112.8A206A202-A206 WeakPolarHBondContact O-CB 3.29Å; A202-A206 PolarHBondContact O-N 3.12Å
203A78.3Confident62.4Low63 Ų63108.6 Ų108.652%0.52161%0.606SS.*Hα-helixtrans-68.6-46173.600000111.2S201 E205 A206 D207S201-A203 PolarHBondContact O-N 2.94Å; S201-A203 VanDerWaalsContact O-N 3.14Å; A203-E205 VanDerWaalsContact C-N 3.33Å; A203-E205 PolarHBondContact O-N 3.3Å; A203-A206 PolarHBondContact O-N 2.69Å; A203-D207 PolarHBondContact O-N 2.85Å
204E74.9Confident64Low95 Ų95112.6 Ų112.644%0.44461%0.611SS.*Hα-helixtrans-63.9-38.3175.7-71164.1150.300111.5I200 S201 D207 F208I200-E204 WeakPolarHBondContact CA-OE2 3.44Å; I200-E204 HydrophobicContact CG2-CB 3.84Å; S201-E204 PolarHBondContact N-OE2 2.82Å; S201-E204 PolarHBondContact O-N 2.87Å; S201-E204 VanDerWaalsContact OG-CG 3.31Å; S201-E204 WeakPolarHBondContact OG-CG 3.29Å; S201-E204 PolarHBondContact OG-N 2.87Å; S201-E204 PolarHBondContact OG-OE2 2.95Å; S201-E204 VanDerWaalsContact OG-OE2 3.11Å; E204-D207 PolarHBondContact O-N 2.91Å; E204-F208 WeakPolarHBondContact O-CB 3.35Å; E204-F208 WeakPolarHBondContact O-CD2 3.4Å; E204-F208 PolarHBondContact O-N 2.95Å
205E73.9Confident65.4Low92 Ų92108.1 Ų108.143%0.4358%0.579SS.*Hα-helixtrans-66.5-37.1175.3-160.2-170.4156.700112.1S201 A203 R209S201-E205 PolarHBondContact O-N 3.01Å; A203-E205 VanDerWaalsContact C-N 3.33Å; A203-E205 PolarHBondContact O-N 3.3Å; E205-R209 WeakPolarHBondContact O-CG 3.31Å; E205-R209 PolarHBondContact O-N 3.42Å; E205-R209 IonicContact OE1-CZ 3.1Å; E205-R209 IonicContact OE1-NH1 2.72Å; E205-R209 PolarHBondContact OE1-NH1 3.42Å; E205-R209 IonicContact OE1-NH2 2.7Å; E205-R209 PolarHBondContact OE1-NH2 2.85Å
206A78.6Confident66.3Low52 Ų52108 Ų10843%0.4358%0.578SS.*Hα-helixtrans-66.8-42173.700000111.6A202 A203 R209 A210A202-A206 WeakPolarHBondContact O-CB 3.29Å; A202-A206 PolarHBondContact O-N 3.12Å; A203-A206 PolarHBondContact O-N 2.69Å; A206-R209 PolarHBondContact O-N 2.83Å; A206-A210 WeakPolarHBondContact O-CB 3.32Å; A206-A210 PolarHBondContact O-N 3.23Å
207D76.6Confident67.1Low112 Ų112104.7 Ų104.760%0.59956%0.559SS**Hα-helixtrans-65.2-40.7175.6-77.4-16.6000111.3A203 E204 R209 A210 L211A203-D207 PolarHBondContact O-N 2.85Å; E204-D207 PolarHBondContact O-N 2.91Å; D207-R209 VanDerWaalsContact C-N 3.35Å; D207-R209 PolarHBondContact O-N 2.8Å; D207-A210 PolarHBondContact O-N 2.83Å; D207-L211 VanDerWaalsContact O-CB 3.22Å; D207-L211 WeakPolarHBondContact O-CB 3.48Å; D207-L211 PolarHBondContact O-N 3.22Å
208F69.7Low67.6Low126 Ų126105.4 Ų105.455%0.55356%0.555SS**Hα-helixtrans-60.1-43.5171.9-98.2-72.3000111.8E204 L211 L212E204-F208 WeakPolarHBondContact O-CB 3.35Å; E204-F208 WeakPolarHBondContact O-CD2 3.4Å; E204-F208 PolarHBondContact O-N 2.95Å; F208-L211 PolarHBondContact O-N 3.05Å; F208-L212 WeakPolarHBondContact O-CB 3.4Å; F208-L212 VanDerWaalsContact O-CG 3.29Å; F208-L212 WeakPolarHBondContact O-CG 3.42Å; F208-L212 PolarHBondContact O-N 3.31Å
209R71.8Confident68.2Low153 Ų153105.2 Ų105.258%0.57756%0.558SS**Hα-helixtrans-65.4-40.8175.2-77.8-168.1-179.691.56.7112.2E205 A206 D207 L212 S213E205-R209 WeakPolarHBondContact O-CG 3.31Å; E205-R209 PolarHBondContact O-N 3.42Å; E205-R209 IonicContact OE1-CZ 3.1Å; E205-R209 IonicContact OE1-NH1 2.72Å; E205-R209 PolarHBondContact OE1-NH1 3.42Å; E205-R209 IonicContact OE1-NH2 2.7Å; E205-R209 PolarHBondContact OE1-NH2 2.85Å; A206-R209 PolarHBondContact O-N 2.83Å; D207-R209 VanDerWaalsContact C-N 3.35Å; D207-R209 PolarHBondContact O-N 2.8Å; R209-L212 PolarHBondContact O-N 2.94Å; R209-S213 WeakPolarHBondContact O-CB 3.42Å; R209-S213 PolarHBondContact O-N 3.3Å
210A75.9Confident68.4Low49 Ų49104.3 Ų104.341%0.40556%0.557SS.*Hα-helixtrans-64-42.9176.400000111A206 D207 S213 K214A206-A210 WeakPolarHBondContact O-CB 3.32Å; A206-A210 PolarHBondContact O-N 3.23Å; D207-A210 PolarHBondContact O-N 2.83Å; A210-S213 PolarHBondContact O-N 3.5Å; A210-S213 PolarHBondContact O-OG 3.19Å; A210-K214 PolarHBondContact O-N 2.96Å; A210-K214 VanDerWaalsContact O-N 3.08Å
211L70.6Confident68.6Low63 Ų63100.9 Ų100.933%0.3354%0.541SS..Hα-helixtrans-63.3-44.8176.7-163149.7000110.5D207 F208 S213 K214 Y215 F225 L229D207-L211 VanDerWaalsContact O-CB 3.22Å; D207-L211 WeakPolarHBondContact O-CB 3.48Å; D207-L211 PolarHBondContact O-N 3.22Å; F208-L211 PolarHBondContact O-N 3.05Å; L211-S213 VanDerWaalsContact C-N 3.35Å; L211-S213 PolarHBondContact O-N 3.41Å; L211-K214 WeakPolarHBondContact O-CB 3.35Å; L211-K214 PolarHBondContact O-N 3.38Å; L211-Y215 HydrophobicContact CD2-CD2 4.35Å; L211-Y215 HydrophobicContact CD2-CE2 4.15Å; L211-Y215 VanDerWaalsContact O-CD2 3.28Å; L211-Y215 WeakPolarHBondContact O-CD2 3.32Å; L211-F225 HydrophobicContact CD2-CE2 3.71Å; L211-F225 HydrophobicContact CD2-CZ 3.52Å; L211-L229 HydrophobicContact CD2-CD1 4.09Å
212L67.8Low68.1Low92 Ų92102 Ų10248%0.48255%0.549SS..Hα-helixtrans-62.7-39.4173.9-73.6168.7000112.5F208 R209 K214 Y215 F225F208-L212 WeakPolarHBondContact O-CB 3.4Å; F208-L212 VanDerWaalsContact O-CG 3.29Å; F208-L212 WeakPolarHBondContact O-CG 3.42Å; F208-L212 PolarHBondContact O-N 3.31Å; R209-L212 PolarHBondContact O-N 2.94Å; L212-K214 VanDerWaalsContact C-N 3.3Å; L212-K214 PolarHBondContact O-N 3.36Å; L212-Y215 PolarHBondContact O-N 2.84Å; L212-F225 HydrophobicContact CD2-CD1 4.43Å; L212-F225 HydrophobicContact CD2-CE1 3.78Å; L212-F225 HydrophobicContact CD2-CE2 4.11Å; L212-F225 HydrophobicContact CD2-CZ 3.59Å; L212-F225 HydrophobicContact CG-CZ 4.42Å
213S68.5Low67.9Low82 Ų82105.5 Ų105.557%0.57355%0.551SS**Hα-helixtrans-63.5-34.9178.679.50000112.8R209 A210 L211 Y215 N216R209-S213 WeakPolarHBondContact O-CB 3.42Å; R209-S213 PolarHBondContact O-N 3.3Å; A210-S213 PolarHBondContact O-N 3.5Å; A210-S213 PolarHBondContact O-OG 3.19Å; L211-S213 VanDerWaalsContact C-N 3.35Å; L211-S213 PolarHBondContact O-N 3.41Å; S213-Y215 PolarHBondContact O-N 2.98Å; S213-N216 PolarHBondContact O-N 2.99Å
214K68Low67.6Low183 Ų183107.8 Ų107.880%0.79655%0.551SS**Hα-helixtrans-61.2-29.2177.5-104.5-177.9178.5177.60113.1A210 L211 L212A210-K214 PolarHBondContact O-N 2.96Å; A210-K214 VanDerWaalsContact O-N 3.08Å; L211-K214 WeakPolarHBondContact O-CB 3.35Å; L211-K214 PolarHBondContact O-N 3.38Å; L212-K214 VanDerWaalsContact C-N 3.3Å; L212-K214 PolarHBondContact O-N 3.36Å
215Y65.2Low67.3Low53 Ų53105.1 Ų105.121%0.20854%0.538CS..Hα-helixtrans-92.9-11.1-175.6-74.3-77.1000113.8L211 L212 S213 M217 F225 K228 E232L211-Y215 HydrophobicContact CD2-CD2 4.35Å; L211-Y215 HydrophobicContact CD2-CE2 4.15Å; L211-Y215 VanDerWaalsContact O-CD2 3.28Å; L211-Y215 WeakPolarHBondContact O-CD2 3.32Å; L212-Y215 PolarHBondContact O-N 2.84Å; S213-Y215 PolarHBondContact O-N 2.98Å; Y215-M217 WeakPolarHBondContact O-CG 3.41Å; Y215-M217 PolarHBondContact O-N 3.47Å; Y215-F225 AromaticContact CD2-CD2 3.9Å; Y215-F225 HydrophobicContact CD2-CD2 3.9Å; Y215-F225 AromaticContact CD2-CE2 3.51Å; Y215-F225 HydrophobicContact CD2-CE2 3.51Å; Y215-F225 HydrophobicContact CE2-CE2 4.06Å; Y215-F225 AromaticContact CG-CD2 3.93Å; Y215-F225 HydrophobicContact CG-CD2 3.93Å; Y215-F225 HydrophobicContact CG-CE2 4.03Å; Y215-K228 HydrophobicContact CD1-CD 4.11Å; Y215-K228 HydrophobicContact CE1-CB 4.49Å; Y215-K228 HydrophobicContact CE1-CD 3.67Å; Y215-E232 PolarHBondContact OH-OE1 2.88Å; Y215-E232 PolarHBondContact OH-OE2 2.88Å
216N57Low67.3Low158 Ų158105.5 Ų105.585%0.84554%0.543SS*.  trans40.243.7174.3-143.214.9000114.1S213S213-N216 PolarHBondContact O-N 2.99Å
217M58Low67.3Low78 Ų78107.8 Ų107.838%0.38455%0.548SS..  trans-114.1139-177.5-58.1-139.977.300110.7Y215 D221 Q224Y215-M217 WeakPolarHBondContact O-CG 3.41Å; Y215-M217 PolarHBondContact O-N 3.47Å; M217-D221 HydrophobicContact CB-CB 4.19Å; M217-D221 HydrophobicContact CE-CB 3.63Å; M217-D221 VanDerWaalsContact CE-OD2 3.31Å; M217-D221 WeakPolarHBondContact CE-OD2 3.41Å; M217-D221 HydrophobicContact SD-CB 4.01Å; M217-Q224 HydrophobicContact SD-CB 4.38Å
218R57.5Low67.3Low219 Ų219107.9 Ų107.983%0.82654%0.542SS*.  trans-74.2154.9176.2-66.6178177.8174.6-0.7109.3A220 D221R218-A220 PolarHBondContact O-N 3.5Å; R218-D221 PolarHBondContact O-N 3.11Å
219I59.3Low67.7Low167 Ų167104.4 Ų104.486%0.85653%0.53SS*.G310 helixtrans-49.6-24.7-177.4-63.7166.8000113.3D221I219-D221 VanDerWaalsContact C-N 3.27Å; I219-D221 PolarHBondContact O-N 3.19Å
220A57.1Low68.1Low92 Ų92102.7 Ų102.776%0.7653%0.529SS*.G310 helixtrans-65.4-20.5175.600000114.9R218R218-A220 PolarHBondContact O-N 3.5Å
221D62.8Low68.4Low58 Ų58108.2 Ų108.231%0.3154%0.544SS..G310 helixtrans-10224.5-178.2-64.8-45.4000113.1M217 R218 I219 Q223 Q224 F225M217-D221 HydrophobicContact CB-CB 4.19Å; M217-D221 HydrophobicContact CE-CB 3.63Å; M217-D221 VanDerWaalsContact CE-OD2 3.31Å; M217-D221 WeakPolarHBondContact CE-OD2 3.41Å; M217-D221 HydrophobicContact SD-CB 4.01Å; R218-D221 PolarHBondContact O-N 3.11Å; I219-D221 VanDerWaalsContact C-N 3.27Å; I219-D221 PolarHBondContact O-N 3.19Å; D221-Q223 PolarHBondContact O-N 3.36Å; D221-Q224 PolarHBondContact O-N 2.84Å; D221-F225 PolarHBondContact O-N 2.91Å
222S64Low68.8Low76 Ų76110 Ų11053%0.53155%0.551SS.*Hα-helixtrans-55.3-34.5-178.562.30000113.9F225 L226S222-F225 PolarHBondContact O-N 2.64Å; S222-L226 WeakPolarHBondContact O-CB 3.5Å; S222-L226 PolarHBondContact O-N 3.27Å
223Q71.3Confident69.5Low153 Ų153110.5 Ų110.572%0.71555%0.553SS**Hα-helixtrans-66.8-36.4175.3-75.6-173.5-20.100112.8D221 N227D221-Q223 PolarHBondContact O-N 3.36Å; Q223-N227 WeakPolarHBondContact O-CB 3.37Å; Q223-N227 VanDerWaalsContact O-CG 3.28Å; Q223-N227 PolarHBondContact O-N 2.95Å; Q223-N227 PolarHBondContact O-ND2 2.88Å
224Q71.2Confident70.2Confident110 Ų110109.4 Ų109.451%0.51455%0.549SS..Hα-helixtrans-70.7-38.9177.7-65.1-17222.100111.2M217 D221 N227 K228M217-Q224 HydrophobicContact SD-CB 4.38Å; D221-Q224 PolarHBondContact O-N 2.84Å; Q224-N227 PolarHBondContact O-N 3.31Å; Q224-K228 PolarHBondContact O-N 2.82Å; Q224-K228 VanDerWaalsContact O-N 3.09Å
225F69.4Low70.8Confident39 Ų39107 Ų10717%0.17154%0.543CS..Hα-helixtrans-61.8-49.9172.8177.8-108.4000111.4L211 L212 Y215 D221 S222 N227 K228 L229L211-F225 HydrophobicContact CD2-CE2 3.71Å; L211-F225 HydrophobicContact CD2-CZ 3.52Å; L212-F225 HydrophobicContact CD2-CD1 4.43Å; L212-F225 HydrophobicContact CD2-CE1 3.78Å; L212-F225 HydrophobicContact CD2-CE2 4.11Å; L212-F225 HydrophobicContact CD2-CZ 3.59Å; L212-F225 HydrophobicContact CG-CZ 4.42Å; Y215-F225 AromaticContact CD2-CD2 3.9Å; Y215-F225 HydrophobicContact CD2-CD2 3.9Å; Y215-F225 AromaticContact CD2-CE2 3.51Å; Y215-F225 HydrophobicContact CD2-CE2 3.51Å; Y215-F225 HydrophobicContact CE2-CE2 4.06Å; Y215-F225 AromaticContact CG-CD2 3.93Å; Y215-F225 HydrophobicContact CG-CD2 3.93Å; Y215-F225 HydrophobicContact CG-CE2 4.03Å; D221-F225 PolarHBondContact O-N 2.91Å; S222-F225 PolarHBondContact O-N 2.64Å; F225-N227 VanDerWaalsContact C-N 3.31Å; F225-N227 PolarHBondContact O-N 2.77Å; F225-K228 PolarHBondContact O-N 3.03Å; F225-L229 HydrophobicContact CD1-CD1 4.24Å; F225-L229 HydrophobicContact CE1-CD1 3.49Å; F225-L229 VanDerWaalsContact CE1-CD1 3.49Å; F225-L229 HydrophobicContact CE2-CD1 4Å; F225-L229 HydrophobicContact CZ-CD1 3.36Å; F225-L229 PolarHBondContact O-N 3.4Å
226L73.8Confident71.6Confident101 Ų101109.6 Ų109.653%0.52956%0.56SS.*Hα-helixtrans-58.2-43177.4-16973.4000111.6S222 K228 L229 M230S222-L226 WeakPolarHBondContact O-CB 3.5Å; S222-L226 PolarHBondContact O-N 3.27Å; L226-K228 PolarHBondContact O-N 3.1Å; L226-L229 PolarHBondContact O-N 2.67Å; L226-M230 HydrophobicContact CG-SD 4.41Å; L226-M230 WeakPolarHBondContact O-CB 3.45Å; L226-M230 WeakPolarHBondContact O-CG 3.25Å; L226-M230 PolarHBondContact O-N 2.66Å
227N78.6Confident72.7Confident100 Ų100105.6 Ų105.654%0.53554%0.538SS..Hα-helixtrans-64.9-36.8178.4-80.4-23.6000113.3Q223 Q224 F225 K231Q223-N227 WeakPolarHBondContact O-CB 3.37Å; Q223-N227 VanDerWaalsContact O-CG 3.28Å; Q223-N227 PolarHBondContact O-N 2.95Å; Q223-N227 PolarHBondContact O-ND2 2.88Å; Q224-N227 PolarHBondContact O-N 3.31Å; F225-N227 VanDerWaalsContact C-N 3.31Å; F225-N227 PolarHBondContact O-N 2.77Å; N227-K231 PolarHBondContact O-N 2.73Å; N227-K231 VanDerWaalsContact O-N 3.14Å
228K75.6Confident73.7Confident113 Ų113108.1 Ų108.149%0.49155%0.547SS..Hα-helixtrans-68.4-44174-84.6-173.3179.8174.10111.4Y215 Q224 F225 L226 M230 K231 E232Y215-K228 HydrophobicContact CD1-CD 4.11Å; Y215-K228 HydrophobicContact CE1-CB 4.49Å; Y215-K228 HydrophobicContact CE1-CD 3.67Å; Q224-K228 PolarHBondContact O-N 2.82Å; Q224-K228 VanDerWaalsContact O-N 3.09Å; F225-K228 PolarHBondContact O-N 3.03Å; L226-K228 PolarHBondContact O-N 3.1Å; K228-M230 PolarHBondContact O-N 3.4Å; K228-K231 WeakPolarHBondContact O-CB 3.24Å; K228-K231 PolarHBondContact O-N 2.82Å; K228-K231 VanDerWaalsContact O-N 3.14Å; K228-E232 PolarHBondContact O-N 2.99Å
229L77.4Confident74.8Confident54 Ų54101.2 Ų101.228%0.28353%0.53SS..Hα-helixtrans-62.7-42177.2-121.3157.9000111.7L211 F225 L226 K231 E232 L233L211-L229 HydrophobicContact CD2-CD1 4.09Å; F225-L229 HydrophobicContact CD1-CD1 4.24Å; F225-L229 HydrophobicContact CE1-CD1 3.49Å; F225-L229 VanDerWaalsContact CE1-CD1 3.49Å; F225-L229 HydrophobicContact CE2-CD1 4Å; F225-L229 HydrophobicContact CZ-CD1 3.36Å; F225-L229 PolarHBondContact O-N 3.4Å; L226-L229 PolarHBondContact O-N 2.67Å; L229-K231 VanDerWaalsContact C-N 3.29Å; L229-K231 PolarHBondContact O-N 3.49Å; L229-E232 PolarHBondContact O-N 2.84Å; L229-L233 VanDerWaalsContact O-CB 3.3Å; L229-L233 WeakPolarHBondContact O-CB 3.44Å; L229-L233 PolarHBondContact O-N 2.87Å
230M81.2Confident75.6Confident116 Ų11697.2 Ų97.257%0.57151%0.51SS*.Hα-helixtrans-61.1-36.9173.6-78-176.761.100112.5L226 K228 A234L226-M230 HydrophobicContact CG-SD 4.41Å; L226-M230 WeakPolarHBondContact O-CB 3.45Å; L226-M230 WeakPolarHBondContact O-CG 3.25Å; L226-M230 PolarHBondContact O-N 2.66Å; K228-M230 PolarHBondContact O-N 3.4Å; M230-A234 WeakPolarHBondContact O-CB 3Å; M230-A234 PolarHBondContact O-N 3.26Å
231K82.2Confident76.2Confident165 Ų16598.6 Ų98.672%0.71750%0.502SS*.Hα-helixtrans-68-42.8174.9-84.7-176.1176.5-179.40112.3N227 K228 L229 M235N227-K231 PolarHBondContact O-N 2.73Å; N227-K231 VanDerWaalsContact O-N 3.14Å; K228-K231 WeakPolarHBondContact O-CB 3.24Å; K228-K231 PolarHBondContact O-N 2.82Å; K228-K231 VanDerWaalsContact O-N 3.14Å; L229-K231 VanDerWaalsContact C-N 3.29Å; L229-K231 PolarHBondContact O-N 3.49Å; K231-M235 PolarHBondContact O-N 3.19Å
232E80Confident76.7Confident102 Ų102101.9 Ų101.948%0.47752%0.515SS..Hα-helixtrans-66.8-44.1176.8-74.6-170.8159.200111.3Y215 K228 L229 A234 M235 L236Y215-E232 PolarHBondContact OH-OE1 2.88Å; Y215-E232 PolarHBondContact OH-OE2 2.88Å; K228-E232 PolarHBondContact O-N 2.99Å; L229-E232 PolarHBondContact O-N 2.84Å; E232-A234 VanDerWaalsContact C-N 3.34Å; E232-A234 PolarHBondContact O-N 2.86Å; E232-M235 PolarHBondContact O-N 2.96Å; E232-M235 VanDerWaalsContact O-N 3.13Å; E232-L236 WeakPolarHBondContact O-CB 3.35Å; E232-L236 PolarHBondContact O-N 2.77Å
233L81.9Confident77.3Confident101 Ų101102.6 Ų102.653%0.52952%0.517SS..Hα-helixtrans-58.5-46.3174.7-161.988.7000110.9L229 M235 L236 D237L229-L233 VanDerWaalsContact O-CB 3.3Å; L229-L233 WeakPolarHBondContact O-CB 3.44Å; L229-L233 PolarHBondContact O-N 2.87Å; L233-M235 VanDerWaalsContact C-N 3.28Å; L233-M235 PolarHBondContact O-N 2.91Å; L233-L236 PolarHBondContact O-N 3.11Å; L233-L236 VanDerWaalsContact O-N 3.16Å; L233-D237 WeakPolarHBondContact O-CB 3.48Å; L233-D237 PolarHBondContact O-N 2.66Å
234A82.5Confident77.3Confident59 Ų59100.7 Ų100.749%0.48851%0.51SS..Hα-helixtrans-63-33.7177.100000112.9M230 E232 K238M230-A234 WeakPolarHBondContact O-CB 3Å; M230-A234 PolarHBondContact O-N 3.26Å; E232-A234 VanDerWaalsContact C-N 3.34Å; E232-A234 PolarHBondContact O-N 2.86Å; A234-K238 WeakPolarHBondContact O-CB 2.97Å; A234-K238 PolarHBondContact O-N 3.26Å; A234-K238 VanDerWaalsContact O-N 3.09Å
235M82Confident77.2Confident133 Ų133100.1 Ų100.166%0.65551%0.514SS*.Hα-helixtrans-70.5-42174.8-136.5-161-54.600111.1K231 E232 L233 K238 T239K231-M235 PolarHBondContact O-N 3.19Å; E232-M235 PolarHBondContact O-N 2.96Å; E232-M235 VanDerWaalsContact O-N 3.13Å; L233-M235 VanDerWaalsContact C-N 3.28Å; L233-M235 PolarHBondContact O-N 2.91Å; M235-K238 WeakPolarHBondContact O-CB 3.31Å; M235-K238 PolarHBondContact O-N 3.2Å; M235-T239 PolarHBondContact O-N 3.25Å; M235-T239 PolarHBondContact O-OG1 3.15Å; M235-T239 VanDerWaalsContact O-OG1 3.07Å
236L81.7Confident77.4Confident108 Ų108100.6 Ų100.657%0.56553%0.53SS*.Hα-helixtrans-67.8-42.1-179.7-146.3124.8000111.3E232 L233 K238 T239 N240E232-L236 WeakPolarHBondContact O-CB 3.35Å; E232-L236 PolarHBondContact O-N 2.77Å; L233-L236 PolarHBondContact O-N 3.11Å; L233-L236 VanDerWaalsContact O-N 3.16Å; L236-K238 VanDerWaalsContact C-N 3.31Å; L236-K238 PolarHBondContact O-N 3.02Å; L236-T239 VanDerWaalsContact CA-OG1 3.28Å; L236-T239 WeakPolarHBondContact CA-OG1 3.26Å; L236-T239 PolarHBondContact O-N 3.12Å; L236-T239 PolarHBondContact O-OG1 2.76Å; L236-N240 WeakPolarHBondContact O-CB 3.49Å; L236-N240 PolarHBondContact O-N 2.9Å
237D79.6Confident77.4Confident74 Ų7497.5 Ų97.540%0.39652%0.517SS..Hα-helixtrans-61-39.9172.2-78.2-19.4000111.3L233 N240 M241L233-D237 WeakPolarHBondContact O-CB 3.48Å; L233-D237 PolarHBondContact O-N 2.66Å; D237-N240 PolarHBondContact O-N 3.45Å; D237-M241 HydrophobicContact CB-CE 4.37Å; D237-M241 VanDerWaalsContact O-CB 3.32Å; D237-M241 WeakPolarHBondContact O-CB 3.42Å; D237-M241 VanDerWaalsContact O-CG 3.31Å; D237-M241 WeakPolarHBondContact O-CG 3.32Å; D237-M241 PolarHBondContact O-N 2.97Å
238K79.6Confident77.4Confident130 Ų13098.9 Ų98.957%0.56552%0.52SS*.Hα-helixtrans-62.7-43.9174.7-174178.3179.1179.50111.7A234 M235 L236 Q242A234-K238 WeakPolarHBondContact O-CB 2.97Å; A234-K238 PolarHBondContact O-N 3.26Å; A234-K238 VanDerWaalsContact O-N 3.09Å; M235-K238 WeakPolarHBondContact O-CB 3.31Å; M235-K238 PolarHBondContact O-N 3.2Å; L236-K238 VanDerWaalsContact C-N 3.31Å; L236-K238 PolarHBondContact O-N 3.02Å; K238-Q242 WeakPolarHBondContact O-CG 3.38Å; K238-Q242 PolarHBondContact O-N 3.4Å
239T80.7Confident77.5Confident75 Ų75102.4 Ų102.446%0.4653%0.53SS..Hα-helixtrans-66.1-43.6175.432.40000112.2M235 L236 M241 Q242 T243M235-T239 PolarHBondContact O-N 3.25Å; M235-T239 PolarHBondContact O-OG1 3.15Å; M235-T239 VanDerWaalsContact O-OG1 3.07Å; L236-T239 VanDerWaalsContact CA-OG1 3.28Å; L236-T239 WeakPolarHBondContact CA-OG1 3.26Å; L236-T239 PolarHBondContact O-N 3.12Å; L236-T239 PolarHBondContact O-OG1 2.76Å; T239-M241 PolarHBondContact O-N 3.03Å; T239-Q242 WeakPolarHBondContact O-CB 3.31Å; T239-Q242 PolarHBondContact O-N 3.35Å; T239-Q242 VanDerWaalsContact O-N 3.1Å; T239-T243 PolarHBondContact O-N 3.03Å; T239-T243 PolarHBondContact O-OG1 3.36Å
240N75.1Confident77.6Confident83 Ų83106.4 Ų106.444%0.44455%0.547SS..Hα-helixtrans-63.5-41.9178.2-105.53.1000112.1L236 D237 Q242 T243 I244L236-N240 WeakPolarHBondContact O-CB 3.49Å; L236-N240 PolarHBondContact O-N 2.9Å; D237-N240 PolarHBondContact O-N 3.45Å; N240-Q242 VanDerWaalsContact C-N 3.29Å; N240-Q242 PolarHBondContact O-N 3.44Å; N240-T243 WeakPolarHBondContact CA-OG1 3.32Å; N240-T243 PolarHBondContact O-N 2.96Å; N240-T243 PolarHBondContact O-OG1 3.11Å; N240-I244 WeakPolarHBondContact O-CB 3.17Å; N240-I244 VanDerWaalsContact O-CG1 3.31Å; N240-I244 WeakPolarHBondContact O-CG1 3.25Å; N240-I244 PolarHBondContact O-N 3.5Å
241M69.9Low77.6Confident120 Ų120105.3 Ų105.359%0.59154%0.543SS*.Hα-helixtrans-60.1-40.4172.1-77.5-170.3-81.400111.2D237 T239 I244 V245D237-M241 HydrophobicContact CB-CE 4.37Å; D237-M241 VanDerWaalsContact O-CB 3.32Å; D237-M241 WeakPolarHBondContact O-CB 3.42Å; D237-M241 VanDerWaalsContact O-CG 3.31Å; D237-M241 WeakPolarHBondContact O-CG 3.32Å; D237-M241 PolarHBondContact O-N 2.97Å; T239-M241 PolarHBondContact O-N 3.03Å; M241-I244 PolarHBondContact O-N 3.04Å; M241-V245 VanDerWaalsContact O-CB 3.24Å; M241-V245 WeakPolarHBondContact O-CB 3.42Å; M241-V245 WeakPolarHBondContact O-CG2 3.36Å; M241-V245 PolarHBondContact O-N 2.82Å
242Q73Confident77.6Confident127 Ų12799.8 Ų99.859%0.59353%0.528SS*.Hα-helixtrans-65.2-38.5176-77.8-178.6-29.400113.1K238 T239 N240 G246K238-Q242 WeakPolarHBondContact O-CG 3.38Å; K238-Q242 PolarHBondContact O-N 3.4Å; T239-Q242 WeakPolarHBondContact O-CB 3.31Å; T239-Q242 PolarHBondContact O-N 3.35Å; T239-Q242 VanDerWaalsContact O-N 3.1Å; N240-Q242 VanDerWaalsContact C-N 3.29Å; N240-Q242 PolarHBondContact O-N 3.44Å; Q242-G246 PolarHBondContact O-N 3.34Å
243T76.2Confident77.9Confident92 Ų9299.5 Ų99.556%0.56453%0.527SS*.Hα-helixtrans-69.8-39.7175.311.60000112.5T239 N240 G246 S247T239-T243 PolarHBondContact O-N 3.03Å; T239-T243 PolarHBondContact O-OG1 3.36Å; N240-T243 WeakPolarHBondContact CA-OG1 3.32Å; N240-T243 PolarHBondContact O-N 2.96Å; N240-T243 PolarHBondContact O-OG1 3.11Å; T243-G246 PolarHBondContact O-N 3.08Å; T243-S247 WeakPolarHBondContact O-CB 3.39Å; T243-S247 PolarHBondContact O-N 3.15Å; T243-S247 PolarHBondContact O-OG 3.23Å
244I71.6Confident78.1Confident113 Ų11399.7 Ų99.758%0.57953%0.528SS*.Hα-helixtrans-69.5-44.8178-67.5170.3000111.2N240 M241 G246 S247 E248N240-I244 WeakPolarHBondContact O-CB 3.17Å; N240-I244 VanDerWaalsContact O-CG1 3.31Å; N240-I244 WeakPolarHBondContact O-CG1 3.25Å; N240-I244 PolarHBondContact O-N 3.5Å; M241-I244 PolarHBondContact O-N 3.04Å; I244-G246 VanDerWaalsContact C-N 3.27Å; I244-G246 PolarHBondContact O-N 3.49Å; I244-S247 PolarHBondContact O-N 3.37Å; I244-S247 PolarHBondContact O-OG 2.94Å; I244-E248 PolarHBondContact O-N 3.13Å
245V70Confident78.3Confident98 Ų98101.4 Ų101.459%0.59453%0.528SS*.Hα-helixtrans-65.7-34.3175.1173.50000110.8M241M241-V245 VanDerWaalsContact O-CB 3.24Å; M241-V245 WeakPolarHBondContact O-CB 3.42Å; M241-V245 WeakPolarHBondContact O-CG2 3.36Å; M241-V245 PolarHBondContact O-N 2.82Å
246G73Confident78.7Confident48 Ų4899.8 Ų99.850%0.49552%0.522SS..Hα-helixtrans-67.5-33.317400000113.8Q242 T243 I244Q242-G246 PolarHBondContact O-N 3.34Å; T243-G246 PolarHBondContact O-N 3.08Å; I244-G246 VanDerWaalsContact C-N 3.27Å; I244-G246 PolarHBondContact O-N 3.49Å
247S73.8Confident79.1Confident37 Ų3799.6 Ų99.626%0.25952%0.518SS..Hα-helixtrans-86.2-20.3-179.863.10000113.9T243 I244 R249 Q250 I251T243-S247 WeakPolarHBondContact O-CB 3.39Å; T243-S247 PolarHBondContact O-N 3.15Å; T243-S247 PolarHBondContact O-OG 3.23Å; I244-S247 PolarHBondContact O-N 3.37Å; I244-S247 PolarHBondContact O-OG 2.94Å; S247-R249 PolarHBondContact O-N 3.45Å; S247-Q250 WeakPolarHBondContact O-CB 3.43Å; S247-Q250 PolarHBondContact O-N 2.85Å; S247-I251 WeakPolarHBondContact O-CG1 3.42Å; S247-I251 PolarHBondContact O-N 3.4Å
248E78.2Confident79.5Confident129 Ų12999.6 Ų99.660%0.60352%0.517SS*.Hα-helixtrans-52.3-43177.3-173.1-179.1-179.900112I244 Q250 I251 A252I244-E248 PolarHBondContact O-N 3.13Å; E248-Q250 PolarHBondContact O-N 2.98Å; E248-I251 PolarHBondContact O-N 3.28Å; E248-A252 VanDerWaalsContact O-CB 3.28Å; E248-A252 WeakPolarHBondContact O-CB 3.45Å; E248-A252 PolarHBondContact O-N 3.07Å
249R78.9Confident80.2Confident187 Ų18797.8 Ų97.871%0.70651%0.514SS*.Hα-helixtrans-64.4-40.2177.6-168.7176.7-177.2146.44.1112.5S247 E253S247-R249 PolarHBondContact O-N 3.45Å; R249-E253 IonicContact NE-OE1 3.73Å; R249-E253 WeakPolarHBondContact O-CB 3.41Å; R249-E253 WeakPolarHBondContact O-CG 3.38Å; R249-E253 PolarHBondContact O-N 3.36Å
250Q78.5Confident80.8Confident137 Ų13799.5 Ų99.564%0.6452%0.516SS*.Hα-helixtrans-70.2-38.9178.5-65.5177.5-12.500111.7S247 E248 E253 L254S247-Q250 WeakPolarHBondContact O-CB 3.43Å; S247-Q250 PolarHBondContact O-N 2.85Å; E248-Q250 PolarHBondContact O-N 2.98Å; Q250-E253 PolarHBondContact O-N 2.74Å; Q250-L254 WeakPolarHBondContact O-CB 3.42Å; Q250-L254 PolarHBondContact O-N 2.97Å
251I80.5Confident81.5Confident94 Ų94101.2 Ų101.248%0.48253%0.525SS..Hα-helixtrans-66.8-43.4176.1-65.1167.2000110.2S247 E248 E253 L254 L255S247-I251 WeakPolarHBondContact O-CG1 3.42Å; S247-I251 PolarHBondContact O-N 3.4Å; E248-I251 PolarHBondContact O-N 3.28Å; I251-E253 VanDerWaalsContact C-N 3.34Å; I251-E253 PolarHBondContact O-N 2.86Å; I251-L254 PolarHBondContact O-N 3Å; I251-L255 HydrophobicContact CG2-CD1 4.04Å; I251-L255 HydrophobicContact CG2-CG 4.44Å; I251-L255 WeakPolarHBondContact O-CB 3.34Å; I251-L255 WeakPolarHBondContact O-CG 3.5Å; I251-L255 PolarHBondContact O-N 3.13Å
252A83.7Confident82.6Confident48 Ų48100.6 Ų100.640%0.39752%0.524SS..Hα-helixtrans-63.2-39.7175.900000112E248 N256E248-A252 VanDerWaalsContact O-CB 3.28Å; E248-A252 WeakPolarHBondContact O-CB 3.45Å; E248-A252 PolarHBondContact O-N 3.07Å; A252-N256 WeakPolarHBondContact O-CB 3.21Å; A252-N256 PolarHBondContact O-N 3.1Å
253E85.6Confident83.6Confident97 Ų9798 Ų9845%0.45352%0.516SS..Hα-helixtrans-62.5-45.3172.1-78.3172.7-166.700111.2R249 Q250 I251 N256 H257R249-E253 IonicContact NE-OE1 3.73Å; R249-E253 WeakPolarHBondContact O-CB 3.41Å; R249-E253 WeakPolarHBondContact O-CG 3.38Å; R249-E253 PolarHBondContact O-N 3.36Å; Q250-E253 PolarHBondContact O-N 2.74Å; I251-E253 VanDerWaalsContact C-N 3.34Å; I251-E253 PolarHBondContact O-N 2.86Å; E253-N256 WeakPolarHBondContact O-CB 3.47Å; E253-N256 PolarHBondContact O-N 2.87Å; E253-H257 PolarHBondContact O-N 3.42Å; E253-H257 PolarHBondContact O-ND1 3.23Å
254L85.5Confident84.3Confident105 Ų10598.6 Ų98.655%0.5551%0.513SS..Hα-helixtrans-63.7-43.6177.9-177.366.1000112.7Q250 I251 N256 H257 I258Q250-L254 WeakPolarHBondContact O-CB 3.42Å; Q250-L254 PolarHBondContact O-N 2.97Å; I251-L254 PolarHBondContact O-N 3Å; L254-N256 VanDerWaalsContact C-N 3.32Å; L254-N256 PolarHBondContact O-N 3.29Å; L254-H257 WeakPolarHBondContact O-CB 3.23Å; L254-H257 PolarHBondContact O-N 2.94Å; L254-H257 VanDerWaalsContact O-N 3.09Å; L254-I258 HydrophobicContact CG-CD1 4.22Å; L254-I258 WeakPolarHBondContact O-CG1 3.42Å; L254-I258 PolarHBondContact O-N 2.92Å
255L86.3Confident85.3Confident95 Ų9595.9 Ų95.950%0.49750%0.504SS..Hα-helixtrans-60.4-43.2175.7-77.1169.9000111.1I251 H257 I258 D259I251-L255 HydrophobicContact CG2-CD1 4.04Å; I251-L255 HydrophobicContact CG2-CG 4.44Å; I251-L255 WeakPolarHBondContact O-CB 3.34Å; I251-L255 WeakPolarHBondContact O-CG 3.5Å; I251-L255 PolarHBondContact O-N 3.13Å; L255-H257 VanDerWaalsContact C-N 3.29Å; L255-H257 PolarHBondContact O-N 3.12Å; L255-I258 PolarHBondContact O-N 3.03Å; L255-I258 VanDerWaalsContact O-N 3.11Å; L255-D259 PolarHBondContact O-N 3.17Å
256N90.6Very high86.4Confident98 Ų9893.5 Ų93.552%0.52449%0.492SS..Hα-helixtrans-59.1-39.3172.5-95.6-36.3000112.5A252 E253 L254 Q260A252-N256 WeakPolarHBondContact O-CB 3.21Å; A252-N256 PolarHBondContact O-N 3.1Å; E253-N256 WeakPolarHBondContact O-CB 3.47Å; E253-N256 PolarHBondContact O-N 2.87Å; L254-N256 VanDerWaalsContact C-N 3.32Å; L254-N256 PolarHBondContact O-N 3.29Å; N256-Q260 WeakPolarHBondContact O-CB 3.43Å; N256-Q260 WeakPolarHBondContact O-CG 3.27Å; N256-Q260 PolarHBondContact O-N 3Å
257H91.3Very high87.4Confident105 Ų10596.4 Ų96.449%0.48649%0.491SS..Hα-helixtrans-67.6-37174.7-70.597.7000112.2E253 L254 L255 Q260 L261E253-H257 PolarHBondContact O-N 3.42Å; E253-H257 PolarHBondContact O-ND1 3.23Å; L254-H257 WeakPolarHBondContact O-CB 3.23Å; L254-H257 PolarHBondContact O-N 2.94Å; L254-H257 VanDerWaalsContact O-N 3.09Å; L255-H257 VanDerWaalsContact C-N 3.29Å; L255-H257 PolarHBondContact O-N 3.12Å; H257-Q260 WeakPolarHBondContact O-CB 3.4Å; H257-Q260 PolarHBondContact O-N 3.42Å; H257-L261 VanDerWaalsContact O-CG 3.28Å; H257-L261 WeakPolarHBondContact O-CG 3.47Å; H257-L261 PolarHBondContact O-N 3.46Å
258I88.6Confident88.3Confident74 Ų74100 Ų10038%0.37951%0.506SS..Hα-helixtrans-66.7-43.4176.6-68.9169.6000110.7L254 L255 Q260 L261 L262L254-I258 HydrophobicContact CG-CD1 4.22Å; L254-I258 WeakPolarHBondContact O-CG1 3.42Å; L254-I258 PolarHBondContact O-N 2.92Å; L255-I258 PolarHBondContact O-N 3.03Å; L255-I258 VanDerWaalsContact O-N 3.11Å; I258-Q260 VanDerWaalsContact C-N 3.28Å; I258-Q260 PolarHBondContact O-N 2.95Å; I258-L261 CarbonylContact O-C 3.55Å; I258-L261 WeakPolarHBondContact O-CB 3.31Å; I258-L261 PolarHBondContact O-N 2.85Å; I258-L262 HydrophobicContact CG2-CD1 4.04Å; I258-L262 HydrophobicContact CG2-CG 4.42Å; I258-L262 WeakPolarHBondContact O-CG 3.4Å; I258-L262 PolarHBondContact O-N 3.38Å
259D94Very high89Confident91 Ų9199.3 Ų99.349%0.48750%0.503SS..Hα-helixtrans-63.4-37.3175.2-73-26.5000111.3L255 L262 T263L255-D259 PolarHBondContact O-N 3.17Å; D259-L262 PolarHBondContact O-N 3.43Å; D259-T263 WeakPolarHBondContact O-CB 3.48Å; D259-T263 WeakPolarHBondContact O-CG2 3.45Å; D259-T263 PolarHBondContact O-N 2.98Å; D259-T263 PolarHBondContact O-OG1 2.99Å
260Q91.8Very high89.6Confident111 Ų11195.3 Ų95.352%0.51950%0.496SS..Hα-helixtrans-62.6-40.6170.3-74170.52100112.1N256 H257 I258 T263 E264N256-Q260 WeakPolarHBondContact O-CB 3.43Å; N256-Q260 WeakPolarHBondContact O-CG 3.27Å; N256-Q260 PolarHBondContact O-N 3Å; H257-Q260 WeakPolarHBondContact O-CB 3.4Å; H257-Q260 PolarHBondContact O-N 3.42Å; I258-Q260 VanDerWaalsContact C-N 3.28Å; I258-Q260 PolarHBondContact O-N 2.95Å; Q260-T263 VanDerWaalsContact CA-OG1 3.28Å; Q260-T263 WeakPolarHBondContact CA-OG1 3.36Å; Q260-T263 PolarHBondContact O-OG1 3.5Å; Q260-E264 WeakPolarHBondContact O-CB 3.18Å; Q260-E264 WeakPolarHBondContact O-CG 3.27Å; Q260-E264 PolarHBondContact O-N 3.24Å
261L91.5Very high90.3Very high120 Ų12092 Ų9263%0.62848%0.484SS*.Hα-helixtrans-69.3-38.1177-72.7170.4000112.5H257 I258 E264 S265H257-L261 VanDerWaalsContact O-CG 3.28Å; H257-L261 WeakPolarHBondContact O-CG 3.47Å; H257-L261 PolarHBondContact O-N 3.46Å; I258-L261 CarbonylContact O-C 3.55Å; I258-L261 WeakPolarHBondContact O-CB 3.31Å; I258-L261 PolarHBondContact O-N 2.85Å; L261-E264 PolarHBondContact O-N 3.36Å; L261-S265 WeakPolarHBondContact O-CB 3.36Å; L261-S265 PolarHBondContact O-N 3.4Å
262L92.3Very high90.8Very high107 Ų10792.1 Ų92.156%0.5649%0.486SS*.Hα-helixtrans-67.4-41.5175.5-75.3168.9000111.4I258 D259 E264 S265 S266I258-L262 HydrophobicContact CG2-CD1 4.04Å; I258-L262 HydrophobicContact CG2-CG 4.42Å; I258-L262 WeakPolarHBondContact O-CG 3.4Å; I258-L262 PolarHBondContact O-N 3.38Å; D259-L262 PolarHBondContact O-N 3.43Å; L262-E264 VanDerWaalsContact C-N 3.34Å; L262-S265 PolarHBondContact O-N 2.99Å; L262-S266 PolarHBondContact O-N 2.78Å; L262-S266 PolarHBondContact O-OG 3.06Å
263T92.7Very high91.1Very high72 Ų7294.2 Ų94.244%0.44249%0.49SS..Hα-helixtrans-65.6-36.2173.149.30000112D259 Q260 S266 K267D259-T263 WeakPolarHBondContact O-CB 3.48Å; D259-T263 WeakPolarHBondContact O-CG2 3.45Å; D259-T263 PolarHBondContact O-N 2.98Å; D259-T263 PolarHBondContact O-OG1 2.99Å; Q260-T263 VanDerWaalsContact CA-OG1 3.28Å; Q260-T263 WeakPolarHBondContact CA-OG1 3.36Å; Q260-T263 PolarHBondContact O-OG1 3.5Å; T263-S266 WeakPolarHBondContact CA-OG 3.38Å; T263-S266 PolarHBondContact O-OG 3.05Å; T263-K267 VanDerWaalsContact O-CG 3.26Å; T263-K267 WeakPolarHBondContact O-CG 3.36Å; T263-K267 PolarHBondContact O-N 2.82Å; T263-K267 VanDerWaalsContact O-N 3.1Å
264E92.6Very high91.2Very high104 Ų10492.8 Ų92.849%0.48649%0.489SS..Hα-helixtrans-69.4-38.2171.3-76.1-57.514100113Q260 L261 L262 K267 L268Q260-E264 WeakPolarHBondContact O-CB 3.18Å; Q260-E264 WeakPolarHBondContact O-CG 3.27Å; Q260-E264 PolarHBondContact O-N 3.24Å; L261-E264 PolarHBondContact O-N 3.36Å; L262-E264 VanDerWaalsContact C-N 3.34Å; E264-K267 WeakPolarHBondContact O-CB 3.37Å; E264-K267 PolarHBondContact O-N 3.49Å; E264-K267 IonicContact OE1-NZ 2.62Å; E264-K267 PolarHBondContact OE1-NZ 3.02Å; E264-L268 PolarHBondContact O-N 2.8Å
265S92.4Very high91.2Very high57 Ų5794.3 Ų94.340%0.39949%0.488SS..Hα-helixtrans-63.3-44.9176.4-169.10000111.6L261 L262 K267 L268 E269L261-S265 WeakPolarHBondContact O-CB 3.36Å; L261-S265 PolarHBondContact O-N 3.4Å; L262-S265 PolarHBondContact O-N 2.99Å; S265-K267 VanDerWaalsContact C-N 3.33Å; S265-K267 PolarHBondContact O-N 3.42Å; S265-L268 WeakPolarHBondContact O-CB 3.45Å; S265-L268 PolarHBondContact O-N 2.79Å; S265-L268 VanDerWaalsContact O-N 3.12Å; S265-E269 PolarHBondContact O-N 3.46Å
266S93.3Very high91.3Very high48 Ų4895 Ų9534%0.33649%0.492SS..Hα-helixtrans-65.3-34.7175.255.30000112.4L262 T263 L268 E269 N270L262-S266 PolarHBondContact O-N 2.78Å; L262-S266 PolarHBondContact O-OG 3.06Å; T263-S266 WeakPolarHBondContact CA-OG 3.38Å; T263-S266 PolarHBondContact O-OG 3.05Å; S266-L268 VanDerWaalsContact C-N 3.34Å; S266-E269 PolarHBondContact O-N 3.25Å; S266-N270 PolarHBondContact O-N 3.41Å; S266-N270 PolarHBondContact O-ND2 3.37Å
267K92.8Very high90.9Very high108 Ų10896.8 Ų96.847%0.4750%0.497SS..Hα-helixtrans-62.3-42.2169.7-72.7172.8-163.9171.50111.4T263 E264 S265 N270 V271T263-K267 VanDerWaalsContact O-CG 3.26Å; T263-K267 WeakPolarHBondContact O-CG 3.36Å; T263-K267 PolarHBondContact O-N 2.82Å; T263-K267 VanDerWaalsContact O-N 3.1Å; E264-K267 WeakPolarHBondContact O-CB 3.37Å; E264-K267 PolarHBondContact O-N 3.49Å; E264-K267 IonicContact OE1-NZ 2.62Å; E264-K267 PolarHBondContact OE1-NZ 3.02Å; S265-K267 VanDerWaalsContact C-N 3.33Å; S265-K267 PolarHBondContact O-N 3.42Å; K267-N270 PolarHBondContact O-N 2.9Å; K267-V271 VanDerWaalsContact O-CG2 3.29Å; K267-V271 WeakPolarHBondContact O-CG2 3.24Å; K267-V271 PolarHBondContact O-N 2.83Å
268L92.7Very high90.6Very high112 Ų11296.9 Ų96.959%0.58650%0.5SS*.Hα-helixtrans-63.1-44177.3-16598000111.7E264 S265 S266 V271 L272E264-L268 PolarHBondContact O-N 2.8Å; S265-L268 WeakPolarHBondContact O-CB 3.45Å; S265-L268 PolarHBondContact O-N 2.79Å; S265-L268 VanDerWaalsContact O-N 3.12Å; S266-L268 VanDerWaalsContact C-N 3.34Å; L268-V271 WeakPolarHBondContact O-CB 3.37Å; L268-V271 PolarHBondContact O-N 3.44Å; L268-L272 HydrophobicContact CD2-CD1 4.27Å; L268-L272 WeakPolarHBondContact O-CG 3.44Å; L268-L272 PolarHBondContact O-N 3.48Å
269E92.6Very high90.2Very high116 Ų11698 Ų9854%0.54251%0.507SS..Hα-helixtrans-58.6-48.2174.8-76.6176.8176.900111.4S265 S266 V271 L272 D273S265-E269 PolarHBondContact O-N 3.46Å; S266-E269 PolarHBondContact O-N 3.25Å; E269-V271 VanDerWaalsContact C-N 3.26Å; E269-V271 PolarHBondContact O-N 3.29Å; E269-L272 WeakPolarHBondContact O-CB 3.43Å; E269-L272 PolarHBondContact O-N 3.34Å; E269-D273 PolarHBondContact O-N 3.21Å
270N93.2Very high89.6Confident102 Ų10296.7 Ų96.755%0.54551%0.508SS..Hα-helixtrans-59-39.3175.6-73.9-56000112S266 K267 D273 T274S266-N270 PolarHBondContact O-N 3.41Å; S266-N270 PolarHBondContact O-ND2 3.37Å; K267-N270 PolarHBondContact O-N 2.9Å; N270-D273 PolarHBondContact O-N 3.12Å; N270-T274 VanDerWaalsContact O-CG2 3.31Å; N270-T274 WeakPolarHBondContact O-CG2 3.47Å; N270-T274 PolarHBondContact O-N 2.83Å
271V92.5Very high88.8Confident67 Ų6799.5 Ų99.541%0.40652%0.521SS..Hα-helixtrans-65.2-42175.2169.80000111K267 L268 E269 T274 Y275K267-V271 VanDerWaalsContact O-CG2 3.29Å; K267-V271 WeakPolarHBondContact O-CG2 3.24Å; K267-V271 PolarHBondContact O-N 2.83Å; L268-V271 WeakPolarHBondContact O-CB 3.37Å; L268-V271 PolarHBondContact O-N 3.44Å; E269-V271 VanDerWaalsContact C-N 3.26Å; E269-V271 PolarHBondContact O-N 3.29Å; V271-T274 PolarHBondContact O-N 2.83Å; V271-T274 PolarHBondContact O-OG1 2.86Å; V271-Y275 HydrophobicContact CG1-CD2 3.94Å; V271-Y275 HydrophobicContact CG1-CE2 3.4Å; V271-Y275 VanDerWaalsContact CG1-CE2 3.4Å; V271-Y275 VanDerWaalsContact O-CD2 3.31Å; V271-Y275 WeakPolarHBondContact O-CD2 3.23Å; V271-Y275 PolarHBondContact O-N 3.04Å
272L90.4Very high88.3Confident98 Ų9897.3 Ų97.351%0.51351%0.512SS..Hα-helixtrans-63.3-42.4175.7-70.3171.9000111.9L268 E269 T274 Y275 D276L268-L272 HydrophobicContact CD2-CD1 4.27Å; L268-L272 WeakPolarHBondContact O-CG 3.44Å; L268-L272 PolarHBondContact O-N 3.48Å; E269-L272 WeakPolarHBondContact O-CB 3.43Å; E269-L272 PolarHBondContact O-N 3.34Å; L272-T274 VanDerWaalsContact C-N 3.29Å; L272-T274 PolarHBondContact O-N 2.93Å; L272-Y275 WeakPolarHBondContact O-CB 3.24Å; L272-Y275 PolarHBondContact O-N 3.46Å; L272-Y275 VanDerWaalsContact O-N 3.08Å; L272-D276 PolarHBondContact O-N 2.95Å
273D90.4Very high87.8Confident91 Ų9198.6 Ų98.649%0.48751%0.513SS..Hα-helixtrans-61.4-38.2175.1-73.6-18.2000111.7E269 N270 D276 Q277E269-D273 PolarHBondContact O-N 3.21Å; N270-D273 PolarHBondContact O-N 3.12Å; D273-D276 PolarHBondContact O-N 3.33Å; D273-Q277 WeakPolarHBondContact O-CB 3.33Å; D273-Q277 WeakPolarHBondContact O-CG 3.22Å; D273-Q277 PolarHBondContact O-N 2.93Å
274T87.6Confident87.1Confident68 Ų68100.9 Ų100.942%0.41752%0.519SS..Hα-helixtrans-64.9-39.4173.562.50000112N270 V271 L272 D276 I278N270-T274 VanDerWaalsContact O-CG2 3.31Å; N270-T274 WeakPolarHBondContact O-CG2 3.47Å; N270-T274 PolarHBondContact O-N 2.83Å; V271-T274 PolarHBondContact O-N 2.83Å; V271-T274 PolarHBondContact O-OG1 2.86Å; L272-T274 VanDerWaalsContact C-N 3.29Å; L272-T274 PolarHBondContact O-N 2.93Å; T274-D276 VanDerWaalsContact C-N 3.34Å; T274-I278 WeakPolarHBondContact O-CD1 3.23Å; T274-I278 VanDerWaalsContact O-CG1 3.22Å; T274-I278 WeakPolarHBondContact O-CG1 3.41Å; T274-I278 PolarHBondContact O-N 2.98Å; T274-I278 VanDerWaalsContact O-N 3.09Å
275Y86.5Confident86.7Confident136 Ų13698 Ų9853%0.53352%0.518SS..Hα-helixtrans-64.8-39.4173.9-70.5-47.7000111.8V271 L272 I278 L279V271-Y275 HydrophobicContact CG1-CD2 3.94Å; V271-Y275 HydrophobicContact CG1-CE2 3.4Å; V271-Y275 VanDerWaalsContact CG1-CE2 3.4Å; V271-Y275 VanDerWaalsContact O-CD2 3.31Å; V271-Y275 WeakPolarHBondContact O-CD2 3.23Å; V271-Y275 PolarHBondContact O-N 3.04Å; L272-Y275 WeakPolarHBondContact O-CB 3.24Å; L272-Y275 PolarHBondContact O-N 3.46Å; L272-Y275 VanDerWaalsContact O-N 3.08Å; Y275-I278 PolarHBondContact O-N 3.44Å; Y275-L279 WeakPolarHBondContact O-CB 3.49Å; Y275-L279 VanDerWaalsContact O-CG 3.28Å; Y275-L279 WeakPolarHBondContact O-CG 3.2Å; Y275-L279 PolarHBondContact O-N 2.94Å
276D86.7Confident86.3Confident110 Ų11098.8 Ų98.859%0.58852%0.52SS*.Hα-helixtrans-69.7-38.1-179.3-145.128.9000111.7L272 D273 T274 I278 L279 A280L272-D276 PolarHBondContact O-N 2.95Å; D273-D276 PolarHBondContact O-N 3.33Å; T274-D276 VanDerWaalsContact C-N 3.34Å; D276-I278 VanDerWaalsContact C-N 3.34Å; D276-I278 PolarHBondContact O-N 3.2Å; D276-L279 PolarHBondContact O-N 3.02Å; D276-A280 WeakPolarHBondContact O-CB 3.47Å; D276-A280 PolarHBondContact O-N 3.39Å
277Q83.4Confident85.8Confident136 Ų136100.4 Ų100.464%0.63652%0.522SS*.Hα-helixtrans-61.1-40.7170.6-73.9175.418.900112.4D273D273-Q277 WeakPolarHBondContact O-CB 3.33Å; D273-Q277 WeakPolarHBondContact O-CG 3.22Å; D273-Q277 PolarHBondContact O-N 2.93Å
278I84.3Confident85.2Confident106 Ų10699.4 Ų99.454%0.54452%0.52SS..Hα-helixtrans-65.6-44.2175.3-67.5164.5000110.2T274 Y275 D276T274-I278 WeakPolarHBondContact O-CD1 3.23Å; T274-I278 VanDerWaalsContact O-CG1 3.22Å; T274-I278 WeakPolarHBondContact O-CG1 3.41Å; T274-I278 PolarHBondContact O-N 2.98Å; T274-I278 VanDerWaalsContact O-N 3.09Å; Y275-I278 PolarHBondContact O-N 3.44Å; D276-I278 VanDerWaalsContact C-N 3.34Å; D276-I278 PolarHBondContact O-N 3.2Å
279L81.5Confident84.8Confident99 Ų9999.2 Ų99.252%0.51852%0.517SS..Hα-helixtrans-71.7-28-178.8-71.6172.1000113.3Y275 D276 H281 V282 K283Y275-L279 WeakPolarHBondContact O-CB 3.49Å; Y275-L279 VanDerWaalsContact O-CG 3.28Å; Y275-L279 WeakPolarHBondContact O-CG 3.2Å; Y275-L279 PolarHBondContact O-N 2.94Å; D276-L279 PolarHBondContact O-N 3.02Å; L279-H281 VanDerWaalsContact C-N 3.28Å; L279-H281 PolarHBondContact O-N 3.44Å; L279-V282 CarbonylContact O-C 3.54Å; L279-V282 WeakPolarHBondContact O-CA 3.4Å; L279-V282 WeakPolarHBondContact O-CB 3.19Å; L279-V282 PolarHBondContact O-N 2.91Å; L279-K283 PolarHBondContact O-N 3.48Å
280A80.1Confident84.4Confident63 Ų6397.6 Ų97.652%0.52151%0.51SS..Hα-helixtrans-57.5-40.6178.200000112.4D276 V282D276-A280 WeakPolarHBondContact O-CB 3.47Å; D276-A280 PolarHBondContact O-N 3.39Å; A280-V282 VanDerWaalsContact C-N 3.34Å
281H75.3Confident84Confident169 Ų16996.9 Ų96.978%0.78250%0.503SS*.Hα-helixtrans-68.8-32.7173.8-78.7-70.8000112.9L279L279-H281 VanDerWaalsContact C-N 3.28Å; L279-H281 PolarHBondContact O-N 3.44Å
282V82Confident83.7Confident74 Ų74100 Ų10045%0.44851%0.511SS..Hα-helixtrans-75.6-35.2179.2179.10000111.2L279 A280 H284 G285 V286L279-V282 CarbonylContact O-C 3.54Å; L279-V282 WeakPolarHBondContact O-CA 3.4Å; L279-V282 WeakPolarHBondContact O-CB 3.19Å; L279-V282 PolarHBondContact O-N 2.91Å; A280-V282 VanDerWaalsContact C-N 3.34Å; V282-H284 PolarHBondContact O-N 2.9Å; V282-G285 CarbonylContact O-C 3.5Å; V282-G285 WeakPolarHBondContact O-CA 3.49Å; V282-G285 PolarHBondContact O-N 3.29Å; V282-V286 HydrophobicContact CG1-CG2 3.85Å; V282-V286 WeakPolarHBondContact O-CG2 3.48Å; V282-V286 PolarHBondContact O-N 3.26Å
283K81.5Confident83.5Confident134 Ų13499.7 Ų99.758%0.58351%0.51SS*.Hα-helixtrans-54.3-49.3-177.7-177.3178.4177.91780112.8L279 G285 V286 E287L279-K283 PolarHBondContact O-N 3.48Å; K283-G285 VanDerWaalsContact C-N 3.27Å; K283-G285 PolarHBondContact O-N 2.9Å; K283-V286 PolarHBondContact O-N 3.36Å; K283-V286 VanDerWaalsContact O-N 3.11Å; K283-E287 VanDerWaalsContact CE-OE1 3.25Å; K283-E287 WeakPolarHBondContact CE-OE1 3.32Å; K283-E287 PolarHBondContact O-N 3.31Å
284H77.8Confident83.3Confident121 Ų12199 Ų9956%0.5651%0.505SS*.Hα-helixtrans-62.4-37.7176.5-173.959.3000111.7V282 V286 M288V282-H284 PolarHBondContact O-N 2.9Å; H284-V286 VanDerWaalsContact C-N 3.34Å; H284-V286 PolarHBondContact O-N 2.85Å; H284-M288 WeakPolarHBondContact O-CB 3.45Å; H284-M288 VanDerWaalsContact O-CG 3.23Å; H284-M288 WeakPolarHBondContact O-CG 3.22Å; H284-M288 PolarHBondContact O-N 3.14Å; H284-M288 VanDerWaalsContact O-N 3.1Å
285G84.2Confident83.4Confident44 Ų44101.1 Ų101.145%0.45451%0.513SS..Hα-helixtrans-62.6-38.2173.100000113.2V282 K283 M289V282-G285 CarbonylContact O-C 3.5Å; V282-G285 WeakPolarHBondContact O-CA 3.49Å; V282-G285 PolarHBondContact O-N 3.29Å; K283-G285 VanDerWaalsContact C-N 3.27Å; K283-G285 PolarHBondContact O-N 2.9Å; G285-M289 WeakPolarHBondContact O-CB 3.42Å; G285-M289 PolarHBondContact O-N 2.95Å
286V84.5Confident83.5Confident73 Ų7399 Ų9944%0.44251%0.51SS..Hα-helixtrans-69.8-44.7178.4173.40000111.5V282 K283 H284 M288 M289 E290V282-V286 HydrophobicContact CG1-CG2 3.85Å; V282-V286 WeakPolarHBondContact O-CG2 3.48Å; V282-V286 PolarHBondContact O-N 3.26Å; K283-V286 PolarHBondContact O-N 3.36Å; K283-V286 VanDerWaalsContact O-N 3.11Å; H284-V286 VanDerWaalsContact C-N 3.34Å; H284-V286 PolarHBondContact O-N 2.85Å; V286-M288 PolarHBondContact O-N 2.98Å; V286-M289 WeakPolarHBondContact O-CB 3.44Å; V286-M289 PolarHBondContact O-N 2.66Å; V286-M289 VanDerWaalsContact O-N 3.13Å; V286-E290 PolarHBondContact O-N 3.39Å
287E81.3Confident83.6Confident81 Ų8195.7 Ų95.738%0.37950%0.502SS..Hα-helixtrans-61.6-43.1176.7-71.4171.5-174.500111.6K283 M289 E290 E291K283-E287 VanDerWaalsContact CE-OE1 3.25Å; K283-E287 WeakPolarHBondContact CE-OE1 3.32Å; K283-E287 PolarHBondContact O-N 3.31Å; E287-M289 VanDerWaalsContact C-N 3.3Å; E287-M289 PolarHBondContact O-N 3.46Å; E287-E290 PolarHBondContact O-N 2.95Å; E287-E291 PolarHBondContact O-N 2.92Å
288M81.5Confident83.9Confident87 Ų8793.2 Ų93.243%0.42950%0.496SS..Hα-helixtrans-64.7-34.8174.3-68.3-64.694.800112.4H284 V286 K292H284-M288 WeakPolarHBondContact O-CB 3.45Å; H284-M288 VanDerWaalsContact O-CG 3.23Å; H284-M288 WeakPolarHBondContact O-CG 3.22Å; H284-M288 PolarHBondContact O-N 3.14Å; H284-M288 VanDerWaalsContact O-N 3.1Å; V286-M288 PolarHBondContact O-N 2.98Å; M288-K292 WeakPolarHBondContact O-CB 3.24Å; M288-K292 PolarHBondContact O-N 3.24Å
289M83.1Confident84.2Confident108 Ų10890.3 Ų90.353%0.53249%0.485SS..Hα-helixtrans-67.4-41.5174.3-170.5174.473.700111.4G285 V286 E287 K292 D293G285-M289 WeakPolarHBondContact O-CB 3.42Å; G285-M289 PolarHBondContact O-N 2.95Å; V286-M289 WeakPolarHBondContact O-CB 3.44Å; V286-M289 PolarHBondContact O-N 2.66Å; V286-M289 VanDerWaalsContact O-N 3.13Å; E287-M289 VanDerWaalsContact C-N 3.3Å; E287-M289 PolarHBondContact O-N 3.46Å; M289-K292 PolarHBondContact O-N 3.45Å; M289-D293 WeakPolarHBondContact O-CB 3.44Å; M289-D293 PolarHBondContact O-N 3.16Å
290E84.7Confident84.6Confident83 Ų8388.3 Ų88.339%0.38848%0.479SS..Hα-helixtrans-66.1-45.6177.9-171.4-172.5179.800112.3Q140 V286 E287 K292 D293 M294Q140-E290 PolarHBondContact NE2-OE2 3.47Å; V286-E290 PolarHBondContact O-N 3.39Å; E287-E290 PolarHBondContact O-N 2.95Å; E290-K292 VanDerWaalsContact C-N 3.28Å; E290-K292 PolarHBondContact O-N 3.22Å; E290-D293 PolarHBondContact O-N 2.85Å; E290-D293 VanDerWaalsContact O-N 3.15Å; E290-M294 WeakPolarHBondContact O-CG 3.29Å; E290-M294 PolarHBondContact O-N 3.41Å
291E84.2Confident85.2Confident87 Ų8788.6 Ų88.641%0.40747%0.472SS..Hα-helixtrans-60.6-42.3175.4-173.7178.1-176.300110.7E287 D293 M294 L295E287-E291 PolarHBondContact O-N 2.92Å; E291-D293 PolarHBondContact O-N 3.25Å; E291-M294 PolarHBondContact O-N 2.88Å; E291-L295 HydrophobicContact CG-CD1 4.4Å; E291-L295 VanDerWaalsContact O-CG 3.32Å; E291-L295 WeakPolarHBondContact O-CG 3.39Å; E291-L295 PolarHBondContact O-N 3.49Å
292K85.8Confident86.1Confident133 Ų13384.8 Ų84.858%0.57846%0.457SS*.Hα-helixtrans-61.7-43174.4-176.3177.5175.5175.20111.5M288 M289 E290 L295 L296M288-K292 WeakPolarHBondContact O-CB 3.24Å; M288-K292 PolarHBondContact O-N 3.24Å; M289-K292 PolarHBondContact O-N 3.45Å; E290-K292 VanDerWaalsContact C-N 3.28Å; E290-K292 PolarHBondContact O-N 3.22Å; K292-L295 PolarHBondContact O-N 2.9Å; K292-L296 HydrophobicContact CG-CD1 4.17Å; K292-L296 HydrophobicContact CG-CG 4.46Å; K292-L296 WeakPolarHBondContact O-CB 3.31Å; K292-L296 WeakPolarHBondContact O-CG 3.45Å; K292-L296 PolarHBondContact O-N 2.89Å
293D87.2Confident86.6Confident91 Ų9189.1 Ų89.149%0.48747%0.466SS..Hα-helixtrans-66-38.5177.9-78.1-15.8000112.2M289 E290 E291 L296 G297M289-D293 WeakPolarHBondContact O-CB 3.44Å; M289-D293 PolarHBondContact O-N 3.16Å; E290-D293 PolarHBondContact O-N 2.85Å; E290-D293 VanDerWaalsContact O-N 3.15Å; E291-D293 PolarHBondContact O-N 3.25Å; D293-L296 WeakPolarHBondContact O-CB 3.43Å; D293-L296 PolarHBondContact O-N 3.44Å; D293-G297 PolarHBondContact O-N 3.29Å
294M86.9Confident87.2Confident77 Ų7788.4 Ų88.438%0.37946%0.464SS..Hα-helixtrans-62-46.4172-73.8-163.6-73.100111.8Q140 E290 E291 L296 G297 V298Q140-M294 HydrophobicContact CG-CE 4.24Å; E290-M294 WeakPolarHBondContact O-CG 3.29Å; E290-M294 PolarHBondContact O-N 3.41Å; E291-M294 PolarHBondContact O-N 2.88Å; M294-L296 VanDerWaalsContact C-N 3.3Å; M294-L296 PolarHBondContact O-N 3.34Å; M294-G297 WeakPolarHBondContact O-CA 3.29Å; M294-G297 PolarHBondContact O-N 3.49Å; M294-G297 VanDerWaalsContact O-N 3.12Å; M294-V298 PolarHBondContact O-N 3.37Å
295L88.7Confident87.9Confident112 Ų11290.2 Ų90.259%0.58647%0.466SS*.Hα-helixtrans-63.1-37.8175.8-70.6173.8000111.6E291 K292 G297 V298 C299E291-L295 HydrophobicContact CG-CD1 4.4Å; E291-L295 VanDerWaalsContact O-CG 3.32Å; E291-L295 WeakPolarHBondContact O-CG 3.39Å; E291-L295 PolarHBondContact O-N 3.49Å; K292-L295 PolarHBondContact O-N 2.9Å; L295-G297 VanDerWaalsContact C-N 3.34Å; L295-V298 PolarHBondContact O-N 3.49Å; L295-C299 WeakPolarHBondContact O-CB 3.34Å; L295-C299 PolarHBondContact O-N 3.3Å
296L89Confident88.2Confident91 Ų9193 Ų9348%0.47647%0.47SS..Hα-helixtrans-63.8-39.3172.4-73.5171.3000111.3K292 D293 M294 C299 S300K292-L296 HydrophobicContact CG-CD1 4.17Å; K292-L296 HydrophobicContact CG-CG 4.46Å; K292-L296 WeakPolarHBondContact O-CB 3.31Å; K292-L296 WeakPolarHBondContact O-CG 3.45Å; K292-L296 PolarHBondContact O-N 2.89Å; D293-L296 WeakPolarHBondContact O-CB 3.43Å; D293-L296 PolarHBondContact O-N 3.44Å; M294-L296 VanDerWaalsContact C-N 3.3Å; M294-L296 PolarHBondContact O-N 3.34Å; L296-C299 PolarHBondContact O-N 3.24Å; L296-S300 VanDerWaalsContact O-CB 3.23Å; L296-S300 WeakPolarHBondContact O-CB 3.24Å; L296-S300 PolarHBondContact O-N 3.39Å
297G88.2Confident88.6Confident40 Ų4093.8 Ų93.841%0.41248%0.475SS..Hα-helixtrans-62-48.6174.400000112.8D293 M294 L295 C299 S300 N301D293-G297 PolarHBondContact O-N 3.29Å; M294-G297 WeakPolarHBondContact O-CA 3.29Å; M294-G297 PolarHBondContact O-N 3.49Å; M294-G297 VanDerWaalsContact O-N 3.12Å; L295-G297 VanDerWaalsContact C-N 3.34Å; G297-C299 PolarHBondContact O-N 3.18Å; G297-S300 WeakPolarHBondContact O-CB 3.34Å; G297-S300 PolarHBondContact O-N 3.43Å; G297-N301 WeakPolarHBondContact O-CB 3.48Å; G297-N301 PolarHBondContact O-N 3.13Å
298V90Very high89.1Confident84 Ų8493.8 Ų93.851%0.50948%0.477SS..Hα-helixtrans-62.5-43.6175.2174.80000110.9M294 L295 S300 N301 N302M294-V298 PolarHBondContact O-N 3.37Å; L295-V298 PolarHBondContact O-N 3.49Å; V298-S300 VanDerWaalsContact C-N 3.33Å; V298-S300 PolarHBondContact O-N 2.85Å; V298-N301 PolarHBondContact O-N 2.91Å; V298-N302 VanDerWaalsContact O-CB 3.3Å; V298-N302 WeakPolarHBondContact O-CB 3.38Å; V298-N302 PolarHBondContact O-N 2.89Å; V298-N302 PolarHBondContact O-ND2 3.05Å
299C90.6Very high89.3Confident46 Ų4694.9 Ų94.931%0.31148%0.481SS..Hα-helixtrans-61.1-42.8176-169.80000111.4L295 L296 G297 N302 R303L295-C299 WeakPolarHBondContact O-CB 3.34Å; L295-C299 PolarHBondContact O-N 3.3Å; L296-C299 PolarHBondContact O-N 3.24Å; G297-C299 PolarHBondContact O-N 3.18Å; C299-N302 PolarHBondContact O-N 3.3Å; C299-R303 WeakPolarHBondContact O-CB 3.46Å; C299-R303 VanDerWaalsContact O-CG 3.24Å; C299-R303 WeakPolarHBondContact O-CG 3.45Å; C299-R303 PolarHBondContact O-N 3.4Å; C299-R303 VanDerWaalsContact SG-CZ 3.52Å; C299-R303 PolarHBondContact SG-NE 3.19Å; C299-R303 PolarHBondContact SG-NH2 3.39Å
300S90.3Very high89.6Confident57 Ų5793.1 Ų93.140%0.39947%0.473SS..Hα-helixtrans-63.1-47.8177.4-172.80000111.8L296 G297 V298 R303 Q304L296-S300 VanDerWaalsContact O-CB 3.23Å; L296-S300 WeakPolarHBondContact O-CB 3.24Å; L296-S300 PolarHBondContact O-N 3.39Å; G297-S300 WeakPolarHBondContact O-CB 3.34Å; G297-S300 PolarHBondContact O-N 3.43Å; V298-S300 VanDerWaalsContact C-N 3.33Å; V298-S300 PolarHBondContact O-N 2.85Å; S300-R303 WeakPolarHBondContact O-CB 3.3Å; S300-R303 PolarHBondContact O-N 3.4Å; S300-Q304 WeakPolarHBondContact O-CG 3.19Å; S300-Q304 PolarHBondContact O-N 2.9Å
301N92.9Very high89.8Confident69 Ų6996.4 Ų96.437%0.36948%0.482SS..Hα-helixtrans-62.9-44.9177.2-171.84.2000111.7G297 V298 R303 Q304 R305G297-N301 WeakPolarHBondContact O-CB 3.48Å; G297-N301 PolarHBondContact O-N 3.13Å; V298-N301 PolarHBondContact O-N 2.91Å; N301-R303 VanDerWaalsContact C-N 3.32Å; N301-R303 PolarHBondContact O-N 2.88Å; N301-Q304 PolarHBondContact O-N 3.32Å; N301-Q304 VanDerWaalsContact O-N 3.16Å; N301-R305 WeakPolarHBondContact O-CG 3.47Å; N301-R305 PolarHBondContact O-N 3.1Å; N301-R305 PolarHBondContact OD1-NE 3.27Å
302N93.5Very high90Very high88 Ų8895.7 Ų95.747%0.47148%0.481SS..Hα-helixtrans-61.7-40.5176-72.4-13.4000111.6V298 C299 R305 L306V298-N302 VanDerWaalsContact O-CB 3.3Å; V298-N302 WeakPolarHBondContact O-CB 3.38Å; V298-N302 PolarHBondContact O-N 2.89Å; V298-N302 PolarHBondContact O-ND2 3.05Å; C299-N302 PolarHBondContact O-N 3.3Å; N302-R305 PolarHBondContact O-N 3.11Å; N302-L306 WeakPolarHBondContact O-CB 3.22Å; N302-L306 PolarHBondContact O-N 3.34Å
303R93.8Very high90.1Very high166 Ų16690.7 Ų90.763%0.62646%0.459SS*.Hα-helixtrans-62.7-42.5173.5-77174.4-172.4166.94.4111.7C299 S300 N301 T307C299-R303 WeakPolarHBondContact O-CB 3.46Å; C299-R303 VanDerWaalsContact O-CG 3.24Å; C299-R303 WeakPolarHBondContact O-CG 3.45Å; C299-R303 PolarHBondContact O-N 3.4Å; C299-R303 VanDerWaalsContact SG-CZ 3.52Å; C299-R303 PolarHBondContact SG-NE 3.19Å; C299-R303 PolarHBondContact SG-NH2 3.39Å; S300-R303 WeakPolarHBondContact O-CB 3.3Å; S300-R303 PolarHBondContact O-N 3.4Å; N301-R303 VanDerWaalsContact C-N 3.32Å; N301-R303 PolarHBondContact O-N 2.88Å; R303-T307 VanDerWaalsContact O-CB 3.29Å; R303-T307 WeakPolarHBondContact O-CB 3.25Å; R303-T307 PolarHBondContact O-N 2.9Å; R303-T307 PolarHBondContact O-OG1 3.09Å
304Q93.9Very high90.1Very high119 Ų11991.5 Ų91.556%0.55646%0.463SS*.Hα-helixtrans-62.5-47.9177.2-74177.5-5.400111.6S300 N301 T307 I308S300-Q304 WeakPolarHBondContact O-CG 3.19Å; S300-Q304 PolarHBondContact O-N 2.9Å; N301-Q304 PolarHBondContact O-N 3.32Å; N301-Q304 VanDerWaalsContact O-N 3.16Å; Q304-T307 WeakPolarHBondContact O-CB 3.47Å; Q304-T307 PolarHBondContact O-N 3.43Å; Q304-I308 WeakPolarHBondContact O-CG1 3.5Å; Q304-I308 PolarHBondContact O-N 3.45Å
305R91.6Very high90.2Very high159 Ų15991.5 Ų91.560%0.647%0.471SS*.Hα-helixtrans-61.4-46.7177.2-70.5179.2179.2-165.1-4.7112.1N301 N302 T307 I308 E309N301-R305 WeakPolarHBondContact O-CG 3.47Å; N301-R305 PolarHBondContact O-N 3.1Å; N301-R305 PolarHBondContact OD1-NE 3.27Å; N302-R305 PolarHBondContact O-N 3.11Å; R305-T307 VanDerWaalsContact C-N 3.27Å; R305-T307 PolarHBondContact O-N 2.74Å; R305-I308 PolarHBondContact O-N 2.98Å; R305-E309 WeakPolarHBondContact O-CG 3.34Å; R305-E309 PolarHBondContact O-N 3.23Å
306L90.9Very high90.1Very high103 Ų10387.4 Ų87.454%0.53945%0.453SS..Hα-helixtrans-62.6-36.5176.7-177.3141.9000111.6N302 L310N302-L306 WeakPolarHBondContact O-CB 3.22Å; N302-L306 PolarHBondContact O-N 3.34Å; L306-L310 HydrophobicContact CD2-CD1 3.45Å; L306-L310 VanDerWaalsContact CD2-CD1 3.45Å; L306-L310 HydrophobicContact CD2-CG 4.21Å; L306-L310 HydrophobicContact CG-CD1 4.18Å; L306-L310 HydrophobicContact CG-CG 4.45Å; L306-L310 VanDerWaalsContact O-CB 3.25Å; L306-L310 WeakPolarHBondContact O-CB 3.2Å; L306-L310 VanDerWaalsContact O-CG 3.27Å; L306-L310 WeakPolarHBondContact O-CG 3.2Å; L306-L310 PolarHBondContact O-N 3.35Å
307T92.9Very high90Very high88 Ų8883.6 Ų83.654%0.5443%0.433SS..Hα-helixtrans-65.1-41.8174.9-58.30000111.6R303 Q304 R305 R311R303-T307 VanDerWaalsContact O-CB 3.29Å; R303-T307 WeakPolarHBondContact O-CB 3.25Å; R303-T307 PolarHBondContact O-N 2.9Å; R303-T307 PolarHBondContact O-OG1 3.09Å; Q304-T307 WeakPolarHBondContact O-CB 3.47Å; Q304-T307 PolarHBondContact O-N 3.43Å; R305-T307 VanDerWaalsContact C-N 3.27Å; R305-T307 PolarHBondContact O-N 2.74Å; T307-R311 WeakPolarHBondContact O-CB 3.29Å; T307-R311 PolarHBondContact O-N 3.14Å
308I90.8Very high90Very high81 Ų8191.1 Ų91.142%0.41545%0.449SS..Hα-helixtrans-65.1-51.5177.1-66.8164000110.1Q304 R305 L310 R311 D312Q304-I308 WeakPolarHBondContact O-CG1 3.5Å; Q304-I308 PolarHBondContact O-N 3.45Å; R305-I308 PolarHBondContact O-N 2.98Å; I308-L310 PolarHBondContact O-N 3.17Å; I308-R311 WeakPolarHBondContact O-CB 3.04Å; I308-R311 PolarHBondContact O-N 2.85Å; I308-R311 VanDerWaalsContact O-N 3.13Å; I308-D312 WeakPolarHBondContact O-CB 3.15Å; I308-D312 PolarHBondContact O-N 2.9Å
309E87.4Confident90.1Very high111 Ų11187.5 Ų87.552%0.51943%0.427SS..Hα-helixtrans-58.4-44.9178.2-75.9-68.4161.800112.2R305 D312 F313R305-E309 WeakPolarHBondContact O-CG 3.34Å; R305-E309 PolarHBondContact O-N 3.23Å; E309-D312 PolarHBondContact O-N 3.32Å; E309-F313 VanDerWaalsContact O-CB 3.24Å; E309-F313 WeakPolarHBondContact O-CB 3.25Å; E309-F313 PolarHBondContact O-N 3.49Å
310L88.2Confident90.1Very high71 Ų7187.5 Ų87.537%0.37243%0.427SS..Hα-helixtrans-64.8-40.1175.7-77.5177.9000112.1L306 I308 D312 L314L306-L310 HydrophobicContact CD2-CD1 3.45Å; L306-L310 VanDerWaalsContact CD2-CD1 3.45Å; L306-L310 HydrophobicContact CD2-CG 4.21Å; L306-L310 HydrophobicContact CG-CD1 4.18Å; L306-L310 HydrophobicContact CG-CG 4.45Å; L306-L310 VanDerWaalsContact O-CB 3.25Å; L306-L310 WeakPolarHBondContact O-CB 3.2Å; L306-L310 VanDerWaalsContact O-CG 3.27Å; L306-L310 WeakPolarHBondContact O-CG 3.2Å; L306-L310 PolarHBondContact O-N 3.35Å; I308-L310 PolarHBondContact O-N 3.17Å; L310-D312 VanDerWaalsContact C-N 3.35Å; L310-L314 VanDerWaalsContact O-CB 3.25Å; L310-L314 WeakPolarHBondContact O-CB 3.27Å; L310-L314 WeakPolarHBondContact O-CG 3.24Å; L310-L314 PolarHBondContact O-N 3.49Å
311R90.2Very high90Very high152 Ų15289.9 Ų89.957%0.57444%0.444SS*.Hα-helixtrans-63.2-44.7177.2-177.6-171.467.5-174.3-2.2110.8T307 I308 L314 S315T307-R311 WeakPolarHBondContact O-CB 3.29Å; T307-R311 PolarHBondContact O-N 3.14Å; I308-R311 WeakPolarHBondContact O-CB 3.04Å; I308-R311 PolarHBondContact O-N 2.85Å; I308-R311 VanDerWaalsContact O-N 3.13Å; R311-L314 PolarHBondContact O-N 3.16Å; R311-S315 WeakPolarHBondContact O-CB 3.43Å; R311-S315 PolarHBondContact O-N 2.68Å
312D87.8Confident89.9Confident72 Ų7291 Ų9139%0.38545%0.447SS..Hα-helixtrans-70.1-41.5-176.8-63.1-5.6000109.9I308 E309 L310 S315 A316I308-D312 WeakPolarHBondContact O-CB 3.15Å; I308-D312 PolarHBondContact O-N 2.9Å; E309-D312 PolarHBondContact O-N 3.32Å; L310-D312 VanDerWaalsContact C-N 3.35Å; D312-S315 PolarHBondContact O-N 3.39Å; D312-S315 PolarHBondContact O-OG 3.25Å; D312-A316 PolarHBondContact O-N 3.1Å
313F87.5Confident89.8Confident27 Ų2787.3 Ų87.312%0.11843%0.427CS..Hα-helixtrans-58.6-49.8170.3174.9-102.4000112.8E309 S315 A316 I317 V356 M360 M363 Y366E309-F313 VanDerWaalsContact O-CB 3.24Å; E309-F313 WeakPolarHBondContact O-CB 3.25Å; E309-F313 PolarHBondContact O-N 3.49Å; F313-S315 VanDerWaalsContact C-N 3.26Å; F313-S315 PolarHBondContact O-N 3.11Å; F313-A316 WeakPolarHBondContact O-CB 3.49Å; F313-A316 PolarHBondContact O-N 3.33Å; F313-I317 HydrophobicContact CD1-CD1 4.03Å; F313-I317 HydrophobicContact CD2-CD1 3.37Å; F313-I317 HydrophobicContact CE1-CD1 3.71Å; F313-I317 HydrophobicContact CE2-CD1 2.99Å; F313-I317 HydrophobicContact CE2-CG1 4.46Å; F313-I317 HydrophobicContact CG-CD1 3.88Å; F313-I317 HydrophobicContact CZ-CD1 3.19Å; F313-I317 WeakPolarHBondContact O-CD1 3.47Å; F313-I317 PolarHBondContact O-N 3.22Å; F313-I317 VanDerWaalsContact O-N 3.16Å; F313-V356 HydrophobicContact CD2-CG1 3.86Å; F313-V356 HydrophobicContact CE2-CG1 3.72Å; F313-M360 HydrophobicContact CD2-CB 3.98Å; F313-M360 HydrophobicContact CD2-CG 4.16Å; F313-M360 HydrophobicContact CD2-SD 4.35Å; F313-M360 HydrophobicContact CE2-CB 3.62Å; F313-M360 HydrophobicContact CE2-CG 4.22Å; F313-M360 HydrophobicContact CE2-SD 4.37Å; F313-M360 HydrophobicContact CZ-CB 4.43Å; F313-M363 HydrophobicContact CZ-SD 4.34Å; F313-Y366 HydrophobicContact CE2-CD2 4.32Å
314L88Confident89.7Confident108 Ų10882.6 Ų82.657%0.56541%0.409SS*.Hα-helixtrans-62-36.2176.9-73.4172.8000111.4L310 R311 R318L310-L314 VanDerWaalsContact O-CB 3.25Å; L310-L314 WeakPolarHBondContact O-CB 3.27Å; L310-L314 WeakPolarHBondContact O-CG 3.24Å; L310-L314 PolarHBondContact O-N 3.49Å; R311-L314 PolarHBondContact O-N 3.16Å; L314-R318 WeakPolarHBondContact O-CB 3.48Å; L314-R318 PolarHBondContact O-N 3.43Å; L314-R318 VanDerWaalsContact O-N 3.14Å
315S87.6Confident89.5Confident77 Ų7779.7 Ų79.754%0.53840%0.402SS..Hα-helixtrans-66.9-37176.679.70000112.4R311 D312 F313R311-S315 WeakPolarHBondContact O-CB 3.43Å; R311-S315 PolarHBondContact O-N 2.68Å; D312-S315 PolarHBondContact O-N 3.39Å; D312-S315 PolarHBondContact O-OG 3.25Å; F313-S315 VanDerWaalsContact C-N 3.26Å; F313-S315 PolarHBondContact O-N 3.11Å
316A86.8Confident89.5Confident26 Ų2673 Ų7322%0.21538%0.379CS..Hα-helixtrans-66.3-38.1178.200000112.5D312 F313 A354D312-A316 PolarHBondContact O-N 3.1Å; F313-A316 WeakPolarHBondContact O-CB 3.49Å; F313-A316 PolarHBondContact O-N 3.33Å; A316-A354 HydrophobicContact CB-CB 4.01Å
317I86.8Confident89.5Confident12 Ų1268.2 Ų68.26%0.06235%0.354CS..THydrogen-bonded Turntrans-100.34.8-171.4-60.8153.4000111.9F313 V356 Y366 Q369 M370 F373F313-I317 HydrophobicContact CD1-CD1 4.03Å; F313-I317 HydrophobicContact CD2-CD1 3.37Å; F313-I317 HydrophobicContact CE1-CD1 3.71Å; F313-I317 HydrophobicContact CE2-CD1 2.99Å; F313-I317 HydrophobicContact CE2-CG1 4.46Å; F313-I317 HydrophobicContact CG-CD1 3.88Å; F313-I317 HydrophobicContact CZ-CD1 3.19Å; F313-I317 WeakPolarHBondContact O-CD1 3.47Å; F313-I317 PolarHBondContact O-N 3.22Å; F313-I317 VanDerWaalsContact O-N 3.16Å; I317-V356 HydrophobicContact CD1-CG2 4.35Å; I317-Y366 HydrophobicContact CD1-CD2 3.53Å; I317-Y366 HydrophobicContact CD1-CE2 4.05Å; I317-Y366 HydrophobicContact CG1-CD2 3.99Å; I317-Y366 HydrophobicContact CG1-CE2 4.14Å; I317-Q369 HydrophobicContact CG2-CB 3.68Å; I317-Q369 HydrophobicContact CG2-CG 3.47Å; I317-Q369 VanDerWaalsContact CG2-CG 3.47Å; I317-Q369 PolarHBondContact O-NE2 2.98Å; I317-M370 HydrophobicContact CG1-CE 4.47Å; I317-M370 HydrophobicContact CG2-CE 4.13Å; I317-F373 HydrophobicContact CG2-CE2 4.39Å; I317-F373 VanDerWaalsContact O-CZ 3.24Å; I317-F373 WeakPolarHBondContact O-CZ 3.38Å
318R88.8Confident89.3Confident197 Ų19767.2 Ų67.274%0.74335%0.348SS*.  trans-100.1104.9-179.4-175.3174.9-175.41761.3111.8L314L314-R318 WeakPolarHBondContact O-CB 3.48Å; L314-R318 PolarHBondContact O-N 3.43Å; L314-R318 VanDerWaalsContact O-N 3.14Å
319L90.9Very high89.2Confident8 Ų869 Ų694%0.04236%0.358CS..  trans-82.7134.9161.8-171.264.1000110.1D323 R324 L327 N347 L348 F373 L376L319-D323 HydrophobicContact CD1-CB 3.76Å; L319-D323 HydrophobicContact CD2-CB 4.47Å; L319-D323 HydrophobicContact CG-CB 3.97Å; L319-R324 HydrophobicContact CB-CG 4.37Å; L319-R324 HydrophobicContact CD2-CG 3.73Å; L319-R324 HydrophobicContact CG-CG 4.06Å; L319-L327 HydrophobicContact CD2-CD1 4.38Å; L319-N347 HydrophobicContact CD1-CB 3.88Å; L319-L348 HydrophobicContact CD2-CB 4.26Å; L319-L348 HydrophobicContact CD2-CD1 4.02Å; L319-F373 HydrophobicContact CB-CE1 3.7Å; L319-F373 HydrophobicContact CB-CZ 3.97Å; L319-F373 HydrophobicContact CD2-CE1 4.27Å; L319-L376 HydrophobicContact CD2-CD2 3.93Å
320S91.1Very high88.9Confident47 Ų4764.9 Ų64.933%0.32934%0.341SS..  trans-59.6147.6179.379.10000111.5H322 D323 R324S320-H322 PolarHBondContact O-N 3.17Å; S320-D323 PolarHBondContact O-N 2.88Å; S320-D323 VanDerWaalsContact OG-CB 3.29Å; S320-D323 WeakPolarHBondContact OG-CB 3.39Å; S320-D323 PolarHBondContact OG-N 3.11Å; S320-D323 PolarHBondContact OG-OD2 2.98Å; S320-R324 WeakPolarHBondContact O-CG 3.44Å; S320-R324 PolarHBondContact O-N 3.18Å
321S88.7Confident88.8Confident107 Ų10764 Ų6475%0.74834%0.337SS*.Hα-helixtrans-62.3-33.1177.550.30000111.9S325S321-S325 PolarHBondContact O-N 3.44Å
322H90.7Very high88.5Confident93 Ų9357.3 Ų57.343%0.43131%0.312SS..Hα-helixtrans-63.4-50173.717866.1000111.7S320 R324 S325 V326 R343S320-H322 PolarHBondContact O-N 3.17Å; H322-R324 VanDerWaalsContact C-N 3.3Å; H322-R324 PolarHBondContact O-N 3.49Å; H322-S325 WeakPolarHBondContact O-CB 3.33Å; H322-S325 PolarHBondContact O-N 2.87Å; H322-S325 VanDerWaalsContact O-N 3.07Å; H322-V326 WeakPolarHBondContact O-CG2 3.47Å; H322-V326 PolarHBondContact O-N 2.89Å; H322-R343 PolarHBondContact NE2-NH2 2.63Å
323D91.8Very high88.2Confident9 Ų958.6 Ų58.65%0.04833%0.327CS..Hα-helixtrans-62.4-38.4178.9-66.6-31.2000111.6L319 S320 S325 V326 L327 A344 N347L319-D323 HydrophobicContact CD1-CB 3.76Å; L319-D323 HydrophobicContact CD2-CB 4.47Å; L319-D323 HydrophobicContact CG-CB 3.97Å; S320-D323 PolarHBondContact O-N 2.88Å; S320-D323 VanDerWaalsContact OG-CB 3.29Å; S320-D323 WeakPolarHBondContact OG-CB 3.39Å; S320-D323 PolarHBondContact OG-N 3.11Å; S320-D323 PolarHBondContact OG-OD2 2.98Å; D323-S325 VanDerWaalsContact C-N 3.34Å; D323-S325 PolarHBondContact O-N 3.08Å; D323-V326 PolarHBondContact O-N 3.48Å; D323-L327 WeakPolarHBondContact O-CG 3.08Å; D323-L327 PolarHBondContact O-N 2.9Å; D323-A344 HydrophobicContact CB-CB 3.87Å; D323-N347 PolarHBondContact OD2-ND2 3.42Å; D323-N347 VanDerWaalsContact OD2-ND2 3.09Å
324R90.3Very high88Confident67 Ų6760.9 Ų60.925%0.25334%0.341SS..Hα-helixtrans-59.9-44.2172.9-72.4179.6-174.2-116.41.6112L319 S320 H322 T328 L376L319-R324 HydrophobicContact CB-CG 4.37Å; L319-R324 HydrophobicContact CD2-CG 3.73Å; L319-R324 HydrophobicContact CG-CG 4.06Å; S320-R324 WeakPolarHBondContact O-CG 3.44Å; S320-R324 PolarHBondContact O-N 3.18Å; H322-R324 VanDerWaalsContact C-N 3.3Å; H322-R324 PolarHBondContact O-N 3.49Å; R324-T328 VanDerWaalsContact O-CB 3.31Å; R324-T328 WeakPolarHBondContact O-CB 3.28Å; R324-T328 PolarHBondContact O-N 3.04Å; R324-T328 PolarHBondContact O-OG1 3.48Å; R324-L376 HydrophobicContact CG-CD2 4.44Å
325S90.3Very high87.7Confident59 Ų5959.4 Ų59.441%0.41334%0.337SS..Hα-helixtrans-65.3-43.9178.4-173.80000111.4S321 H322 D323 L327 T328 N329S321-S325 PolarHBondContact O-N 3.44Å; H322-S325 WeakPolarHBondContact O-CB 3.33Å; H322-S325 PolarHBondContact O-N 2.87Å; H322-S325 VanDerWaalsContact O-N 3.07Å; D323-S325 VanDerWaalsContact C-N 3.34Å; D323-S325 PolarHBondContact O-N 3.08Å; S325-L327 PolarHBondContact O-N 3.29Å; S325-T328 PolarHBondContact O-N 3.39Å; S325-N329 WeakPolarHBondContact O-CB 3.48Å; S325-N329 PolarHBondContact O-N 3Å
326V91.6Very high87.7Confident19 Ų1958 Ų5812%0.11533%0.331CS..Hα-helixtrans-60.6-45.5178.5172.40000111.2H322 D323 T328 C330 E340 A344H322-V326 WeakPolarHBondContact O-CG2 3.47Å; H322-V326 PolarHBondContact O-N 2.89Å; D323-V326 PolarHBondContact O-N 3.48Å; V326-T328 VanDerWaalsContact C-N 3.34Å; V326-T328 PolarHBondContact O-N 3.07Å; V326-C330 VanDerWaalsContact O-CA 3.23Å; V326-C330 WeakPolarHBondContact O-CA 3.21Å; V326-C330 PolarHBondContact O-N 3.27Å; V326-E340 HydrophobicContact CG1-CB 4.43Å; V326-A344 HydrophobicContact CB-CB 4.26Å; V326-A344 HydrophobicContact CG1-CB 4.02Å
327L90.6Very high87.7Confident2 Ų260.8 Ų60.81%0.0134%0.338CS..Hα-helixtrans-69.4-33177.9-67.4171.5000112.5L319 D323 S325 A344 A345 L348 L376 F380L319-L327 HydrophobicContact CD2-CD1 4.38Å; D323-L327 WeakPolarHBondContact O-CG 3.08Å; D323-L327 PolarHBondContact O-N 2.9Å; S325-L327 PolarHBondContact O-N 3.29Å; L327-A344 HydrophobicContact CD1-CB 4.21Å; L327-A344 HydrophobicContact CD2-CB 4Å; L327-A344 HydrophobicContact CG-CB 3.79Å; L327-A345 HydrophobicContact CD2-CB 4.09Å; L327-L348 HydrophobicContact CD1-CB 3.96Å; L327-L348 HydrophobicContact CD1-CD2 3.85Å; L327-L348 HydrophobicContact CD1-CG 4.48Å; L327-L376 HydrophobicContact CB-CD1 3.83Å; L327-L376 HydrophobicContact CB-CD2 4.06Å; L327-L376 HydrophobicContact CB-CG 3.96Å; L327-L376 HydrophobicContact CD1-CD2 3.67Å; L327-L376 HydrophobicContact CD1-CG 4.11Å; L327-F380 HydrophobicContact CB-CD2 4.45Å; L327-F380 HydrophobicContact CD2-CB 4.43Å; L327-F380 HydrophobicContact CD2-CD1 4.05Å; L327-F380 HydrophobicContact CD2-CD2 3.61Å; L327-F380 HydrophobicContact CD2-CE1 4.2Å; L327-F380 HydrophobicContact CD2-CE2 3.75Å; L327-F380 HydrophobicContact CD2-CG 3.76Å; L327-F380 HydrophobicContact CD2-CZ 4.06Å
328T89.6Confident87.9Confident67 Ų6760.5 Ų60.541%0.41134%0.336SS..Hα-helixtrans-78.6-32.6179.6-54.20000112.9R324 S325 V326 L376 R383R324-T328 VanDerWaalsContact O-CB 3.31Å; R324-T328 WeakPolarHBondContact O-CB 3.28Å; R324-T328 PolarHBondContact O-N 3.04Å; R324-T328 PolarHBondContact O-OG1 3.48Å; S325-T328 PolarHBondContact O-N 3.39Å; V326-T328 VanDerWaalsContact C-N 3.34Å; V326-T328 PolarHBondContact O-N 3.07Å; T328-L376 WeakPolarHBondContact OG1-CD1 2.89Å; T328-R383 PolarHBondContact O-NH1 3.04Å
329N88.1Confident87.9Confident118 Ų11857.4 Ų57.463%0.63133%0.332SS*.SBendtrans-109.522.7-179.6-66.3-25.6000112.4S325 D331S325-N329 WeakPolarHBondContact O-CB 3.48Å; S325-N329 PolarHBondContact O-N 3Å; N329-D331 PolarHBondContact O-N 3.03Å
330C82Confident87.8Confident24 Ų2461 Ų6116%0.16235%0.349CS..  trans-26.9111.8-176.9-176.20000114.3V326 L332 F380V326-C330 VanDerWaalsContact O-CA 3.23Å; V326-C330 WeakPolarHBondContact O-CA 3.21Å; V326-C330 PolarHBondContact O-N 3.27Å; C330-L332 WeakPolarHBondContact SG-CG 3.5Å; C330-F380 HydrophobicContact CB-CD2 4.06Å; C330-F380 HydrophobicContact CB-CE2 4.15Å; C330-F380 WeakPolarHBondContact SG-CE2 3.33Å
331D84.8Confident87.9Confident53 Ų5359 Ų5928%0.28333%0.334SS..  trans-113.2110.5174.1-175.7-4.8000109.1N329 S333 K337N329-D331 PolarHBondContact O-N 3.03Å; D331-S333 WeakPolarHBondContact OD1-CB 3.4Å; D331-S333 PolarHBondContact OD1-N 3.35Å; D331-S333 PolarHBondContact OD1-OG 3.07Å; D331-K337 HydrophobicContact CB-CD 3.92Å; D331-K337 VanDerWaalsContact CG-CD 3.45Å; D331-K337 VanDerWaalsContact O-CB 3.28Å; D331-K337 WeakPolarHBondContact O-CB 3.44Å; D331-K337 WeakPolarHBondContact OD2-CD 3.48Å; D331-K337 WeakPolarHBondContact OD2-CE 3.24Å; D331-K337 IonicContact OD2-NZ 3.88Å; D331-K337 PolarHBondContact OD2-NZ 3.34Å
332L85.7Confident88Confident11 Ų1154.3 Ų54.36%0.05830%0.301CS..  trans-104.718.2-175.3-62.7173.1000112.2C330 I338 C341 F384 H387 F438 L441C330-L332 WeakPolarHBondContact SG-CG 3.5Å; L332-I338 HydrophobicContact CD2-CG1 4.36Å; L332-C341 HydrophobicContact CD2-CB 4.28Å; L332-F384 HydrophobicContact CD1-CD2 3.92Å; L332-H387 WeakPolarHBondContact CB-NE2 3.34Å; L332-H387 HydrophobicContact CD1-CB 3.71Å; L332-F438 HydrophobicContact CB-CE1 4.23Å; L332-L441 HydrophobicContact CD2-CD1 4.08Å
333S80.7Confident88.1Confident100 Ų10055.5 Ų55.570%0.69930%0.302SS*.SBendtrans-82.9-27.6-171.2-450000113.9D331D331-S333 WeakPolarHBondContact OD1-CB 3.4Å; D331-S333 PolarHBondContact OD1-N 3.35Å; D331-S333 PolarHBondContact OD1-OG 3.07Å
334D82.7Confident88.2Confident75 Ų7555 Ų5540%0.40130%0.3SS..SBendtrans-123.7134.9-173.9-177.4-27.4000109.9A336 K337 I338D334-A336 PolarHBondContact O-N 3.26Å; D334-A336 VanDerWaalsContact O-N 3.11Å; D334-A336 PolarHBondContact OD1-N 2.7Å; D334-K337 HydrophobicContact CB-CB 4.4Å; D334-K337 HydrophobicContact CB-CD 4.27Å; D334-K337 HydrophobicContact CB-CG 4.17Å; D334-K337 PolarHBondContact O-N 3.02Å; D334-I338 WeakPolarHBondContact O-CG1 3.42Å; D334-I338 PolarHBondContact O-N 3.49Å
335P82.9Confident88.3Confident76 Ų7651.9 Ų51.949%0.49429%0.288SS..Hα-helixtrans-42.9-40.4170.7-30.334.4000115.1I338 M339 P437P335-I338 PolarHBondContact O-N 2.9Å; P335-M339 WeakPolarHBondContact O-CG 3.48Å; P335-M339 PolarHBondContact O-N 2.87Å; P335-P437 HydrophobicContact CG-CG 4.49Å
336A86.2Confident88.5Confident48 Ų4852.9 Ų52.940%0.39729%0.288SS..Hα-helixtrans-64.8-43.5178.700000112.1D334 M339 E340D334-A336 PolarHBondContact O-N 3.26Å; D334-A336 VanDerWaalsContact O-N 3.11Å; D334-A336 PolarHBondContact OD1-N 2.7Å; A336-M339 WeakPolarHBondContact O-CB 3.47Å; A336-M339 PolarHBondContact O-N 2.84Å; A336-E340 PolarHBondContact O-N 3.33Å; A336-E340 VanDerWaalsContact O-N 3.08Å
337K88.3Confident88.5Confident85 Ų8554.1 Ų54.137%0.3729%0.294SS..Hα-helixtrans-71.8-33.4178.1-61.8-178.2-179.91720112D331 D334 M339 E340 C341D331-K337 HydrophobicContact CB-CD 3.92Å; D331-K337 VanDerWaalsContact CG-CD 3.45Å; D331-K337 VanDerWaalsContact O-CB 3.28Å; D331-K337 WeakPolarHBondContact O-CB 3.44Å; D331-K337 WeakPolarHBondContact OD2-CD 3.48Å; D331-K337 WeakPolarHBondContact OD2-CE 3.24Å; D331-K337 IonicContact OD2-NZ 3.88Å; D331-K337 PolarHBondContact OD2-NZ 3.34Å; D334-K337 HydrophobicContact CB-CB 4.4Å; D334-K337 HydrophobicContact CB-CD 4.27Å; D334-K337 HydrophobicContact CB-CG 4.17Å; D334-K337 PolarHBondContact O-N 3.02Å; K337-M339 VanDerWaalsContact C-N 3.32Å; K337-M339 PolarHBondContact O-N 2.92Å; K337-E340 WeakPolarHBondContact O-CB 3.4Å; K337-E340 PolarHBondContact O-N 3.37Å; K337-C341 PolarHBondContact O-N 3.46Å; K337-C341 PolarHBondContact O-SG 3.45Å
338I89.9Confident88.6Confident5 Ų554 Ų543%0.02629%0.294CS..Hα-helixtrans-60.3-43.9171.1-65164.2000110.2L332 D334 P335 E340 C341 T342 P437 F438 L441L332-I338 HydrophobicContact CD2-CG1 4.36Å; D334-I338 WeakPolarHBondContact O-CG1 3.42Å; D334-I338 PolarHBondContact O-N 3.49Å; P335-I338 PolarHBondContact O-N 2.9Å; I338-E340 VanDerWaalsContact C-N 3.35Å; I338-E340 PolarHBondContact O-N 3.4Å; I338-C341 PolarHBondContact O-N 3.36Å; I338-T342 WeakPolarHBondContact O-CB 3.31Å; I338-T342 PolarHBondContact O-N 2.84Å; I338-T342 PolarHBondContact O-OG1 2.93Å; I338-P437 HydrophobicContact CD1-CB 4.06Å; I338-P437 WeakPolarHBondContact CG2-O 3.46Å; I338-F438 HydrophobicContact CD1-CD1 4.04Å; I338-F438 HydrophobicContact CD1-CE1 3.36Å; I338-F438 HydrophobicContact CD1-CE2 4.08Å; I338-F438 HydrophobicContact CD1-CZ 3.39Å; I338-F438 HydrophobicContact CG1-CD1 4.34Å; I338-F438 HydrophobicContact CG1-CE1 3.74Å; I338-F438 HydrophobicContact CG1-CZ 4.24Å; I338-F438 HydrophobicContact CG2-CD1 4.03Å; I338-F438 HydrophobicContact CG2-CE1 4.28Å; I338-L441 HydrophobicContact CG2-CD1 3.83Å
339M88Confident88.7Confident132 Ų13252 Ų5265%0.6528%0.28SS*.Hα-helixtrans-63.4-39174.6-69.3-167.4-54.200112.3P335 A336 K337 T342 R343P335-M339 WeakPolarHBondContact O-CG 3.48Å; P335-M339 PolarHBondContact O-N 2.87Å; A336-M339 WeakPolarHBondContact O-CB 3.47Å; A336-M339 PolarHBondContact O-N 2.84Å; K337-M339 VanDerWaalsContact C-N 3.32Å; K337-M339 PolarHBondContact O-N 2.92Å; M339-T342 WeakPolarHBondContact O-CB 3.47Å; M339-T342 PolarHBondContact O-N 3.4Å; M339-R343 WeakPolarHBondContact O-CB 3.32Å; M339-R343 PolarHBondContact O-N 2.91Å
340E90.2Very high88.8Confident85 Ų8553.2 Ų53.240%0.39728%0.279SS..Hα-helixtrans-62.5-45.2174.2-71.7-175.5175.600112.1V326 A336 K337 I338 T342 R343 A344V326-E340 HydrophobicContact CG1-CB 4.43Å; A336-E340 PolarHBondContact O-N 3.33Å; A336-E340 VanDerWaalsContact O-N 3.08Å; K337-E340 WeakPolarHBondContact O-CB 3.4Å; K337-E340 PolarHBondContact O-N 3.37Å; I338-E340 VanDerWaalsContact C-N 3.35Å; I338-E340 PolarHBondContact O-N 3.4Å; E340-T342 VanDerWaalsContact C-N 3.31Å; E340-T342 PolarHBondContact O-N 3.41Å; E340-R343 PolarHBondContact O-N 3.3Å; E340-A344 WeakPolarHBondContact O-CB 3.5Å; E340-A344 PolarHBondContact O-N 3.42Å
341C92.8Very high89.2Confident3 Ų352.8 Ų52.82%0.0228%0.276CS..Hα-helixtrans-60.2-41.3172.9-71.70000111.6L332 K337 I338 A344 A345 F380L332-C341 HydrophobicContact CD2-CB 4.28Å; K337-C341 PolarHBondContact O-N 3.46Å; K337-C341 PolarHBondContact O-SG 3.45Å; I338-C341 PolarHBondContact O-N 3.36Å; C341-A344 PolarHBondContact O-N 3.01Å; C341-A345 WeakPolarHBondContact O-CB 3.45Å; C341-A345 PolarHBondContact O-N 2.91Å; C341-F380 HydrophobicContact CB-CE2 4.08Å; C341-F380 HydrophobicContact CB-CZ 4.09Å
342T91.1Very high89.3Confident10 Ų1051.8 Ų51.86%0.06127%0.271CS..Hα-helixtrans-61-48.8176.8-52.90000110.8I338 M339 E340 A344 A345 L346 D440 L441I338-T342 WeakPolarHBondContact O-CB 3.31Å; I338-T342 PolarHBondContact O-N 2.84Å; I338-T342 PolarHBondContact O-OG1 2.93Å; M339-T342 WeakPolarHBondContact O-CB 3.47Å; M339-T342 PolarHBondContact O-N 3.4Å; E340-T342 VanDerWaalsContact C-N 3.31Å; E340-T342 PolarHBondContact O-N 3.41Å; T342-A344 PolarHBondContact O-N 3.28Å; T342-A345 PolarHBondContact O-N 3.39Å; T342-L346 HydrophobicContact CG2-CD1 4.16Å; T342-L346 WeakPolarHBondContact O-CB 3.42Å; T342-L346 VanDerWaalsContact O-CG 3.31Å; T342-L346 WeakPolarHBondContact O-CG 3.43Å; T342-L346 PolarHBondContact O-N 3.01Å; T342-D440 HydrophobicContact CG2-CB 3.59Å; T342-L441 WeakPolarHBondContact OG1-CG 3.49Å
343R92.6Very high89.5Confident117 Ų11756.4 Ų56.444%0.44230%0.295SS..Hα-helixtrans-58.9-47.6176.6-177.6-173.667.7178.3-4.2111.3H322 M339 E340 A345 L346 N347H322-R343 PolarHBondContact NE2-NH2 2.63Å; M339-R343 WeakPolarHBondContact O-CB 3.32Å; M339-R343 PolarHBondContact O-N 2.91Å; E340-R343 PolarHBondContact O-N 3.3Å; R343-A345 VanDerWaalsContact C-N 3.35Å; R343-A345 PolarHBondContact O-N 2.99Å; R343-L346 PolarHBondContact O-N 3.25Å; R343-N347 WeakPolarHBondContact O-CB 3.27Å; R343-N347 VanDerWaalsContact O-CG 3.3Å; R343-N347 PolarHBondContact O-N 3.43Å
344A93.3Very high89.7Confident0 Ų052.9 Ų52.90%027%0.272CS..Hα-helixtrans-63.8-40.4179.800000111.8D323 V326 L327 E340 C341 T342 N347 L348D323-A344 HydrophobicContact CB-CB 3.87Å; V326-A344 HydrophobicContact CB-CB 4.26Å; V326-A344 HydrophobicContact CG1-CB 4.02Å; L327-A344 HydrophobicContact CD1-CB 4.21Å; L327-A344 HydrophobicContact CD2-CB 4Å; L327-A344 HydrophobicContact CG-CB 3.79Å; E340-A344 WeakPolarHBondContact O-CB 3.5Å; E340-A344 PolarHBondContact O-N 3.42Å; C341-A344 PolarHBondContact O-N 3.01Å; T342-A344 PolarHBondContact O-N 3.28Å; A344-N347 PolarHBondContact O-N 3.45Å; A344-L348 WeakPolarHBondContact O-CB 3.1Å; A344-L348 PolarHBondContact O-N 2.87Å
345A93.9Very high89.7Confident0 Ų058.7 Ų58.70%030%0.297CS..Hα-helixtrans-66.9-41.1177.800000112.1L327 C341 T342 R343 L348 Q349 F380 L441 W444L327-A345 HydrophobicContact CD2-CB 4.09Å; C341-A345 WeakPolarHBondContact O-CB 3.45Å; C341-A345 PolarHBondContact O-N 2.91Å; T342-A345 PolarHBondContact O-N 3.39Å; R343-A345 VanDerWaalsContact C-N 3.35Å; R343-A345 PolarHBondContact O-N 2.99Å; A345-L348 PolarHBondContact O-N 2.81Å; A345-Q349 WeakPolarHBondContact O-CB 3.46Å; A345-Q349 PolarHBondContact O-N 3.5Å; A345-F380 HydrophobicContact CB-CE1 3.91Å; A345-F380 HydrophobicContact CB-CZ 4.37Å; A345-L441 HydrophobicContact CB-CD2 4.27Å; A345-W444 HydrophobicContact CB-CD2 3.94Å; A345-W444 HydrophobicContact CB-CG 4.1Å; A345-W444 HydrophobicContact CB-CZ2 4.25Å; A345-W444 PolarHBondContact O-NE1 2.89Å
346L92.8Very high89.8Confident81 Ų8156.1 Ų56.142%0.42428%0.28SS..Hα-helixtrans-65.4-39.8173.5-71.1174.2000111.9T342 R343 Q349 K350T342-L346 HydrophobicContact CG2-CD1 4.16Å; T342-L346 WeakPolarHBondContact O-CB 3.42Å; T342-L346 VanDerWaalsContact O-CG 3.31Å; T342-L346 WeakPolarHBondContact O-CG 3.43Å; T342-L346 PolarHBondContact O-N 3.01Å; R343-L346 PolarHBondContact O-N 3.25Å; L346-Q349 PolarHBondContact O-N 3.49Å; L346-K350 WeakPolarHBondContact O-CG 3.2Å; L346-K350 PolarHBondContact O-N 3.48Å
347N92Very high89.6Confident45 Ų4556.7 Ų56.724%0.24128%0.28CS..Hα-helixtrans-64.4-43.4174.5-74.2-11.8000111.7L319 D323 R343 A344 Q349 K350 C351L319-N347 HydrophobicContact CD1-CB 3.88Å; D323-N347 PolarHBondContact OD2-ND2 3.42Å; D323-N347 VanDerWaalsContact OD2-ND2 3.09Å; R343-N347 WeakPolarHBondContact O-CB 3.27Å; R343-N347 VanDerWaalsContact O-CG 3.3Å; R343-N347 PolarHBondContact O-N 3.43Å; A344-N347 PolarHBondContact O-N 3.45Å; N347-Q349 VanDerWaalsContact C-N 3.31Å; N347-Q349 PolarHBondContact O-N 2.63Å; N347-K350 WeakPolarHBondContact O-CB 3.31Å; N347-K350 PolarHBondContact O-N 3.05Å; N347-C351 PolarHBondContact O-N 3.2Å; N347-C351 PolarHBondContact O-SG 3.31Å; N347-C351 VanDerWaalsContact O-SG 3.41Å
348L93.4Very high89.3Confident0 Ų057.2 Ų57.20%029%0.292CS..Hα-helixtrans-57.6-45.5172.417464.3000111L319 L327 A344 A345 K350 C351 I352 F373 L376 R377L319-L348 HydrophobicContact CD2-CB 4.26Å; L319-L348 HydrophobicContact CD2-CD1 4.02Å; L327-L348 HydrophobicContact CD1-CB 3.96Å; L327-L348 HydrophobicContact CD1-CD2 3.85Å; L327-L348 HydrophobicContact CD1-CG 4.48Å; A344-L348 WeakPolarHBondContact O-CB 3.1Å; A344-L348 PolarHBondContact O-N 2.87Å; A345-L348 PolarHBondContact O-N 2.81Å; L348-K350 VanDerWaalsContact C-N 3.33Å; L348-K350 PolarHBondContact O-N 3.21Å; L348-C351 PolarHBondContact O-N 3.48Å; L348-I352 HydrophobicContact CD1-CD1 4.05Å; L348-I352 HydrophobicContact CD1-CG1 4.33Å; L348-I352 HydrophobicContact CG-CD1 3.97Å; L348-I352 WeakPolarHBondContact O-CG1 2.98Å; L348-I352 PolarHBondContact O-N 3Å; L348-F373 HydrophobicContact CD1-CB 3.69Å; L348-F373 HydrophobicContact CD1-CD1 3.67Å; L348-F373 HydrophobicContact CD1-CE1 4.4Å; L348-F373 HydrophobicContact CD1-CG 3.72Å; L348-L376 HydrophobicContact CD1-CD2 4.42Å; L348-L376 HydrophobicContact CD2-CB 4.39Å; L348-L376 HydrophobicContact CD2-CD2 4.28Å; L348-L376 HydrophobicContact CD2-CG 4.26Å; L348-R377 HydrophobicContact CD2-CB 3.98Å
349Q91.4Very high89Confident25 Ų2559.6 Ų59.612%0.11732%0.318CS..Hα-helixtrans-65.2-36.5179.3-168.259.241.700112.4A345 L346 N347 C351 I352 N353 S448A345-Q349 WeakPolarHBondContact O-CB 3.46Å; A345-Q349 PolarHBondContact O-N 3.5Å; L346-Q349 PolarHBondContact O-N 3.49Å; N347-Q349 VanDerWaalsContact C-N 3.31Å; N347-Q349 PolarHBondContact O-N 2.63Å; Q349-C351 VanDerWaalsContact C-N 3.35Å; Q349-I352 PolarHBondContact O-N 2.85Å; Q349-N353 VanDerWaalsContact NE2-CG 3.32Å; Q349-N353 PolarHBondContact NE2-ND2 3.03Å; Q349-N353 PolarHBondContact NE2-OD1 2.7Å; Q349-N353 VanDerWaalsContact O-CB 3.32Å; Q349-N353 WeakPolarHBondContact O-CB 3.23Å; Q349-N353 VanDerWaalsContact O-CG 3.32Å; Q349-N353 PolarHBondContact O-N 3.41Å; Q349-S448 VanDerWaalsContact OE1-CB 3.32Å; Q349-S448 PolarHBondContact OE1-OG 3.47Å
350K89.6Confident88.8Confident143 Ų14355 Ų5562%0.62230%0.296SS*.Hα-helixtrans-62-41.7172.5-73.8172.3-175.8175.30111.8L346 N347 L348 N353 A354L346-K350 WeakPolarHBondContact O-CG 3.2Å; L346-K350 PolarHBondContact O-N 3.48Å; N347-K350 WeakPolarHBondContact O-CB 3.31Å; N347-K350 PolarHBondContact O-N 3.05Å; L348-K350 VanDerWaalsContact C-N 3.33Å; L348-K350 PolarHBondContact O-N 3.21Å; K350-N353 CarbonylContact O-C 3.57Å; K350-N353 PolarHBondContact O-N 2.85Å; K350-A354 PolarHBondContact O-N 3.49Å
351C90Very high88.4Confident14 Ų1455.3 Ų55.310%0.09530%0.297CS..Hα-helixtrans-65.9-39.9176.3-68.60000112.4N347 L348 Q349 N353 A354 F373N347-C351 PolarHBondContact O-N 3.2Å; N347-C351 PolarHBondContact O-SG 3.31Å; N347-C351 VanDerWaalsContact O-SG 3.41Å; L348-C351 PolarHBondContact O-N 3.48Å; Q349-C351 VanDerWaalsContact C-N 3.35Å; C351-N353 VanDerWaalsContact C-N 3.35Å; C351-A354 WeakPolarHBondContact O-CB 3.46Å; C351-A354 PolarHBondContact O-N 3.44Å; C351-F373 HydrophobicContact CB-CD2 4.19Å; C351-F373 HydrophobicContact CB-CE2 3.61Å; C351-F373 HydrophobicContact CB-CZ 4.01Å
352I88.6Confident88.1Confident33 Ų3363.3 Ų63.317%0.16933%0.331CS..Hα-helixtrans-67-37.8176.6-67.3169.4000111.2L348 Q349 A354 F373 R377L348-I352 HydrophobicContact CD1-CD1 4.05Å; L348-I352 HydrophobicContact CD1-CG1 4.33Å; L348-I352 HydrophobicContact CG-CD1 3.97Å; L348-I352 WeakPolarHBondContact O-CG1 2.98Å; L348-I352 PolarHBondContact O-N 3Å; Q349-I352 PolarHBondContact O-N 2.85Å; I352-A354 VanDerWaalsContact C-N 3.33Å; I352-F373 HydrophobicContact CD1-CB 4.15Å; I352-F373 HydrophobicContact CG1-CB 3.84Å; I352-F373 HydrophobicContact CG1-CD2 4.27Å; I352-F373 HydrophobicContact CG1-CG 4.43Å; I352-R377 HydrophobicContact CD1-CB 4.41Å
353N88.5Confident87.9Confident108 Ų10866.7 Ų66.758%0.57835%0.348SS*.THydrogen-bonded Turntrans-89.55.2-179-67.6-5.6000113.4Q349 K350 C351 Q355Q349-N353 VanDerWaalsContact NE2-CG 3.32Å; Q349-N353 PolarHBondContact NE2-ND2 3.03Å; Q349-N353 PolarHBondContact NE2-OD1 2.7Å; Q349-N353 VanDerWaalsContact O-CB 3.32Å; Q349-N353 WeakPolarHBondContact O-CB 3.23Å; Q349-N353 VanDerWaalsContact O-CG 3.32Å; Q349-N353 PolarHBondContact O-N 3.41Å; K350-N353 CarbonylContact O-C 3.57Å; K350-N353 PolarHBondContact O-N 2.85Å; C351-N353 VanDerWaalsContact C-N 3.35Å; N353-Q355 PolarHBondContact O-N 3.38Å
354A86.4Confident87.7Confident25 Ų2564.7 Ų64.721%0.20736%0.356CS..  trans-64.6131.4-176.900000110.1A316 K350 C351 I352 V356A316-A354 HydrophobicContact CB-CB 4.01Å; K350-A354 PolarHBondContact O-N 3.49Å; C351-A354 WeakPolarHBondContact O-CB 3.46Å; C351-A354 PolarHBondContact O-N 3.44Å; I352-A354 VanDerWaalsContact C-N 3.33Å; A354-V356 PolarHBondContact O-N 3.13Å
355Q81.9Confident87.4Confident198 Ų19867.8 Ų67.893%0.92538%0.382SS*.  trans-76.3114.7177.1-69.4-176.1-12.600109.3N353N353-Q355 PolarHBondContact O-N 3.38Å
356V84.1Confident87.2Confident22 Ų2269.3 Ų69.313%0.13339%0.388CS..  trans-115.8148.6179.7174.50000108.1F313 I317 A354 M360 E361 Y366F313-V356 HydrophobicContact CD2-CG1 3.86Å; F313-V356 HydrophobicContact CE2-CG1 3.72Å; I317-V356 HydrophobicContact CD1-CG2 4.35Å; A354-V356 PolarHBondContact O-N 3.13Å; V356-M360 HydrophobicContact CG1-CB 3.45Å; V356-M360 VanDerWaalsContact CG1-CB 3.45Å; V356-M360 HydrophobicContact CG1-CG 4.43Å; V356-E361 HydrophobicContact CB-CG 4.47Å; V356-E361 HydrophobicContact CG1-CG 4.35Å; V356-Y366 HydrophobicContact CB-CE2 4.41Å; V356-Y366 HydrophobicContact CG1-CE2 4.49Å; V356-Y366 HydrophobicContact CG2-CE2 4.01Å
357S81.9Confident87Confident59 Ų5971.2 Ų71.241%0.41339%0.394SS..  trans-66143.8179.563.90000110.8G359 M360 E361S357-G359 PolarHBondContact O-N 3.15Å; S357-M360 WeakPolarHBondContact O-CB 3.4Å; S357-M360 PolarHBondContact O-N 3.2Å; S357-M360 WeakPolarHBondContact OG-CG 3.42Å; S357-E361 PolarHBondContact O-N 3.5Å
358P82.7Confident86.9Confident96 Ų9675.8 Ų75.862%0.62341%0.414SS*.THydrogen-bonded Turntrans-58.3-23.5-174.7-26.633.5000114.9
359G84.1Confident86.8Confident55 Ų5577.9 Ų77.957%0.56742%0.424SS*.THydrogen-bonded Turntrans-73.8-33.3174.800000113.1S357S357-G359 PolarHBondContact O-N 3.15Å
360M82.7Confident86.7Confident35 Ų3578 Ų7817%0.17243%0.425CS..THydrogen-bonded Turntrans-79.3-26.7-179.3-66.1-72.9-171.800112.2F313 V356 S357 K362 M363F313-M360 HydrophobicContact CD2-CB 3.98Å; F313-M360 HydrophobicContact CD2-CG 4.16Å; F313-M360 HydrophobicContact CD2-SD 4.35Å; F313-M360 HydrophobicContact CE2-CB 3.62Å; F313-M360 HydrophobicContact CE2-CG 4.22Å; F313-M360 HydrophobicContact CE2-SD 4.37Å; F313-M360 HydrophobicContact CZ-CB 4.43Å; V356-M360 HydrophobicContact CG1-CB 3.45Å; V356-M360 VanDerWaalsContact CG1-CB 3.45Å; V356-M360 HydrophobicContact CG1-CG 4.43Å; S357-M360 WeakPolarHBondContact O-CB 3.4Å; S357-M360 PolarHBondContact O-N 3.2Å; S357-M360 WeakPolarHBondContact OG-CG 3.42Å; M360-K362 PolarHBondContact O-N 3.02Å; M360-M363 HydrophobicContact CE-CE 4.34Å; M360-M363 WeakPolarHBondContact O-CB 3.39Å; M360-M363 WeakPolarHBondContact O-CG 3.21Å; M360-M363 PolarHBondContact O-N 3.29Å; M360-M363 HydrophobicContact SD-CE 3.27Å; M360-M363 WeakPolarHBondContact SD-CE 3.35Å; M360-M363 HydrophobicContact SD-SD 3.67Å; M360-M363 VanDerWaalsContact SD-SD 3.67Å
361E83.4Confident86.8Confident92 Ų9274.9 Ų74.943%0.4342%0.422SS..THydrogen-bonded Turntrans-59.9-25.1174.3-67.5-179.5167.900112.9V356 S357 M363 Y366V356-E361 HydrophobicContact CB-CG 4.47Å; V356-E361 HydrophobicContact CG1-CG 4.35Å; S357-E361 PolarHBondContact O-N 3.5Å; E361-M363 VanDerWaalsContact C-N 3.3Å; E361-Y366 HydrophobicContact CB-CD1 4.31Å; E361-Y366 HydrophobicContact CB-CE1 4.13Å; E361-Y366 HydrophobicContact CG-CE1 4.09Å; E361-Y366 WeakPolarHBondContact O-CD1 3.45Å
362K84.8Confident86.9Confident171 Ų17177 Ų7774%0.74343%0.434SS*.THydrogen-bonded Turntrans-83.9-1.6178.5-60.4-178.6-179.7-179.10113.7M360M360-K362 PolarHBondContact O-N 3.02Å
363M87.3Confident87.1Confident82 Ų8275.4 Ų75.440%0.40443%0.425SS..  trans-74.8133.8178.2-69.6-169.7171.400110.3F313 M360 E361 A365 Y366 E367F313-M363 HydrophobicContact CZ-SD 4.34Å; M360-M363 HydrophobicContact CE-CE 4.34Å; M360-M363 WeakPolarHBondContact O-CB 3.39Å; M360-M363 WeakPolarHBondContact O-CG 3.21Å; M360-M363 PolarHBondContact O-N 3.29Å; M360-M363 HydrophobicContact SD-CE 3.27Å; M360-M363 WeakPolarHBondContact SD-CE 3.35Å; M360-M363 HydrophobicContact SD-SD 3.67Å; M360-M363 VanDerWaalsContact SD-SD 3.67Å; E361-M363 VanDerWaalsContact C-N 3.3Å; M363-A365 PolarHBondContact O-N 3.37Å; M363-A365 VanDerWaalsContact O-N 3.17Å; M363-Y366 WeakPolarHBondContact O-CB 3.49Å; M363-Y366 PolarHBondContact O-N 2.99Å; M363-E367 PolarHBondContact O-N 3.36Å; M363-E367 VanDerWaalsContact O-N 3.12Å
364A88.9Confident87.3Confident75 Ų7572.1 Ų72.162%0.6241%0.411SS*.Hα-helixtrans-54.8-37.2176.400000112.7Y366 E367 E368A364-Y366 VanDerWaalsContact C-N 3.3Å; A364-Y366 PolarHBondContact O-N 3.17Å; A364-E367 PolarHBondContact O-N 3.4Å; A364-E368 WeakPolarHBondContact O-CB 3.39Å; A364-E368 PolarHBondContact O-N 2.89Å
365A87.1Confident87.6Confident65 Ų6575.6 Ų75.654%0.53742%0.423SS..Hα-helixtrans-64.9-32.217700000113.2M363 Q369M363-A365 PolarHBondContact O-N 3.37Å; M363-A365 VanDerWaalsContact O-N 3.17Å; A365-Q369 WeakPolarHBondContact O-CB 3.37Å; A365-Q369 PolarHBondContact O-N 3.27Å; A365-Q369 VanDerWaalsContact O-N 3.15Å
366Y89.5Confident88.1Confident31 Ų3167 Ų6712%0.12238%0.383CS..Hα-helixtrans-71.4-49.8174.7177.6-101.2000110.5F313 I317 V356 E361 M363 A364 E368 Q369 M370F313-Y366 HydrophobicContact CE2-CD2 4.32Å; I317-Y366 HydrophobicContact CD1-CD2 3.53Å; I317-Y366 HydrophobicContact CD1-CE2 4.05Å; I317-Y366 HydrophobicContact CG1-CD2 3.99Å; I317-Y366 HydrophobicContact CG1-CE2 4.14Å; V356-Y366 HydrophobicContact CB-CE2 4.41Å; V356-Y366 HydrophobicContact CG1-CE2 4.49Å; V356-Y366 HydrophobicContact CG2-CE2 4.01Å; E361-Y366 HydrophobicContact CB-CD1 4.31Å; E361-Y366 HydrophobicContact CB-CE1 4.13Å; E361-Y366 HydrophobicContact CG-CE1 4.09Å; E361-Y366 WeakPolarHBondContact O-CD1 3.45Å; M363-Y366 WeakPolarHBondContact O-CB 3.49Å; M363-Y366 PolarHBondContact O-N 2.99Å; A364-Y366 VanDerWaalsContact C-N 3.3Å; A364-Y366 PolarHBondContact O-N 3.17Å; Y366-E368 VanDerWaalsContact C-N 3.33Å; Y366-E368 PolarHBondContact O-N 3.17Å; Y366-Q369 PolarHBondContact O-N 3.02Å; Y366-M370 HydrophobicContact CD1-CG 4.04Å; Y366-M370 HydrophobicContact CD2-CE 4.19Å; Y366-M370 HydrophobicContact CD2-CG 4.24Å; Y366-M370 HydrophobicContact CE1-CG 3.65Å; Y366-M370 HydrophobicContact CE2-CE 3.71Å; Y366-M370 HydrophobicContact CE2-CG 3.85Å; Y366-M370 HydrophobicContact CE2-SD 4.09Å; Y366-M370 HydrophobicContact CG-CG 4.35Å; Y366-M370 WeakPolarHBondContact O-CB 3.34Å; Y366-M370 WeakPolarHBondContact O-CG 3.39Å; Y366-M370 PolarHBondContact O-N 3.18Å
367E88.6Confident88.6Confident121 Ų12168.4 Ų68.457%0.56539%0.386SS*.Hα-helixtrans-58.4-44178.3-67-177.4170.100111.8M363 A364 M370 S371M363-E367 PolarHBondContact O-N 3.36Å; M363-E367 VanDerWaalsContact O-N 3.12Å; A364-E367 PolarHBondContact O-N 3.4Å; E367-M370 PolarHBondContact O-N 3.44Å; E367-S371 WeakPolarHBondContact O-CB 3.36Å; E367-S371 PolarHBondContact O-N 2.84Å
368E90.5Very high89.1Confident141 Ų14170.1 Ų70.166%0.65939%0.388SS*.Hα-helixtrans-61.2-46.8175.9-173.5-178177.400111.3A364 Y366 M370 S371 V372A364-E368 WeakPolarHBondContact O-CB 3.39Å; A364-E368 PolarHBondContact O-N 2.89Å; Y366-E368 VanDerWaalsContact C-N 3.33Å; Y366-E368 PolarHBondContact O-N 3.17Å; E368-M370 PolarHBondContact O-N 2.98Å; E368-S371 WeakPolarHBondContact O-CB 3.33Å; E368-S371 PolarHBondContact O-N 3.09Å; E368-V372 WeakPolarHBondContact O-CG2 3.37Å; E368-V372 PolarHBondContact O-N 3.41Å
369Q90.3Very high89.5Confident44 Ų4470.2 Ų70.221%0.20638%0.378CS..Hα-helixtrans-65.4-41.9178-168.191.1-63.600112.1I317 A365 Y366 S371 V372 F373I317-Q369 HydrophobicContact CG2-CB 3.68Å; I317-Q369 HydrophobicContact CG2-CG 3.47Å; I317-Q369 VanDerWaalsContact CG2-CG 3.47Å; I317-Q369 PolarHBondContact O-NE2 2.98Å; A365-Q369 WeakPolarHBondContact O-CB 3.37Å; A365-Q369 PolarHBondContact O-N 3.27Å; A365-Q369 VanDerWaalsContact O-N 3.15Å; Y366-Q369 PolarHBondContact O-N 3.02Å; Q369-S371 VanDerWaalsContact C-N 3.26Å; Q369-S371 PolarHBondContact O-N 3.26Å; Q369-V372 WeakPolarHBondContact O-CB 3.49Å; Q369-V372 PolarHBondContact O-N 2.91Å; Q369-V372 VanDerWaalsContact O-N 3.13Å; Q369-F373 HydrophobicContact CG-CD1 4.27Å; Q369-F373 HydrophobicContact CG-CD2 4.03Å; Q369-F373 HydrophobicContact CG-CE1 3.83Å; Q369-F373 HydrophobicContact CG-CE2 3.52Å; Q369-F373 HydrophobicContact CG-CG 4.38Å; Q369-F373 HydrophobicContact CG-CZ 3.43Å; Q369-F373 VanDerWaalsContact CG-CZ 3.43Å; Q369-F373 WeakPolarHBondContact O-CG 3.49Å; Q369-F373 PolarHBondContact O-N 3.38Å
370M90.4Very high90Very high27 Ų2767.6 Ų67.613%0.13335%0.351CS..Hα-helixtrans-63-34.7177.4-71.9-54.5113.100111.9I317 Y366 E367 E368 F373 S374I317-M370 HydrophobicContact CG1-CE 4.47Å; I317-M370 HydrophobicContact CG2-CE 4.13Å; Y366-M370 HydrophobicContact CD1-CG 4.04Å; Y366-M370 HydrophobicContact CD2-CE 4.19Å; Y366-M370 HydrophobicContact CD2-CG 4.24Å; Y366-M370 HydrophobicContact CE1-CG 3.65Å; Y366-M370 HydrophobicContact CE2-CE 3.71Å; Y366-M370 HydrophobicContact CE2-CG 3.85Å; Y366-M370 HydrophobicContact CE2-SD 4.09Å; Y366-M370 HydrophobicContact CG-CG 4.35Å; Y366-M370 WeakPolarHBondContact O-CB 3.34Å; Y366-M370 WeakPolarHBondContact O-CG 3.39Å; Y366-M370 PolarHBondContact O-N 3.18Å; E367-M370 PolarHBondContact O-N 3.44Å; E368-M370 PolarHBondContact O-N 2.98Å; M370-F373 HydrophobicContact CE-CD2 3.35Å; M370-F373 HydrophobicContact CE-CE2 3.51Å; M370-F373 PolarHBondContact O-N 3.12Å; M370-F373 HydrophobicContact SD-CD2 4.04Å; M370-S374 VanDerWaalsContact O-CB 3.32Å; M370-S374 WeakPolarHBondContact O-CB 3.32Å; M370-S374 PolarHBondContact O-N 3.24Å; M370-S374 PolarHBondContact O-OG 3.37Å
371S91.1Very high90.5Very high79 Ų7966.2 Ų66.255%0.55235%0.345SS*.Hα-helixtrans-62.3-47170.9-178.20000111.4E367 E368 Q369 F373 S374 H375E367-S371 WeakPolarHBondContact O-CB 3.36Å; E367-S371 PolarHBondContact O-N 2.84Å; E368-S371 WeakPolarHBondContact O-CB 3.33Å; E368-S371 PolarHBondContact O-N 3.09Å; Q369-S371 VanDerWaalsContact C-N 3.26Å; Q369-S371 PolarHBondContact O-N 3.26Å; S371-F373 VanDerWaalsContact C-N 3.34Å; S371-F373 PolarHBondContact O-N 2.93Å; S371-S374 PolarHBondContact O-N 3.45Å; S371-H375 WeakPolarHBondContact O-CB 2.93Å; S371-H375 PolarHBondContact O-N 2.93Å
372V91.7Very high90.9Very high57 Ų5768.1 Ų68.135%0.34535%0.354SS..Hα-helixtrans-60.9-42.41761750000111.8E368 Q369 H375 L376E368-V372 WeakPolarHBondContact O-CG2 3.37Å; E368-V372 PolarHBondContact O-N 3.41Å; Q369-V372 WeakPolarHBondContact O-CB 3.49Å; Q369-V372 PolarHBondContact O-N 2.91Å; Q369-V372 VanDerWaalsContact O-N 3.13Å; V372-H375 PolarHBondContact O-N 3.42Å; V372-L376 WeakPolarHBondContact O-CB 3.45Å; V372-L376 PolarHBondContact O-N 2.59Å
373F93.3Very high91.3Very high0 Ų065.7 Ų65.70%034%0.34CS..Hα-helixtrans-65.6-41.9176.9-70-16.2000112.7I317 L319 L348 C351 I352 Q369 M370 S371 L376 R377I317-F373 HydrophobicContact CG2-CE2 4.39Å; I317-F373 VanDerWaalsContact O-CZ 3.24Å; I317-F373 WeakPolarHBondContact O-CZ 3.38Å; L319-F373 HydrophobicContact CB-CE1 3.7Å; L319-F373 HydrophobicContact CB-CZ 3.97Å; L319-F373 HydrophobicContact CD2-CE1 4.27Å; L348-F373 HydrophobicContact CD1-CB 3.69Å; L348-F373 HydrophobicContact CD1-CD1 3.67Å; L348-F373 HydrophobicContact CD1-CE1 4.4Å; L348-F373 HydrophobicContact CD1-CG 3.72Å; C351-F373 HydrophobicContact CB-CD2 4.19Å; C351-F373 HydrophobicContact CB-CE2 3.61Å; C351-F373 HydrophobicContact CB-CZ 4.01Å; I352-F373 HydrophobicContact CD1-CB 4.15Å; I352-F373 HydrophobicContact CG1-CB 3.84Å; I352-F373 HydrophobicContact CG1-CD2 4.27Å; I352-F373 HydrophobicContact CG1-CG 4.43Å; Q369-F373 HydrophobicContact CG-CD1 4.27Å; Q369-F373 HydrophobicContact CG-CD2 4.03Å; Q369-F373 HydrophobicContact CG-CE1 3.83Å; Q369-F373 HydrophobicContact CG-CE2 3.52Å; Q369-F373 HydrophobicContact CG-CG 4.38Å; Q369-F373 HydrophobicContact CG-CZ 3.43Å; Q369-F373 VanDerWaalsContact CG-CZ 3.43Å; Q369-F373 WeakPolarHBondContact O-CG 3.49Å; Q369-F373 PolarHBondContact O-N 3.38Å; M370-F373 HydrophobicContact CE-CD2 3.35Å; M370-F373 HydrophobicContact CE-CE2 3.51Å; M370-F373 PolarHBondContact O-N 3.12Å; M370-F373 HydrophobicContact SD-CD2 4.04Å; S371-F373 VanDerWaalsContact C-N 3.34Å; S371-F373 PolarHBondContact O-N 2.93Å; F373-L376 PolarHBondContact O-N 3.21Å; F373-R377 VanDerWaalsContact O-CB 3.3Å; F373-R377 WeakPolarHBondContact O-CB 3.34Å; F373-R377 PolarHBondContact O-N 2.94Å
374S91.9Very high91.6Very high40 Ų4061.8 Ų61.828%0.2832%0.321SS..Hα-helixtrans-62.8-44.9176.5-61.50000111.1M370 S371 L376 R377 E378M370-S374 VanDerWaalsContact O-CB 3.32Å; M370-S374 WeakPolarHBondContact O-CB 3.32Å; M370-S374 PolarHBondContact O-N 3.24Å; M370-S374 PolarHBondContact O-OG 3.37Å; S371-S374 PolarHBondContact O-N 3.45Å; S374-L376 PolarHBondContact O-N 2.88Å; S374-R377 WeakPolarHBondContact O-CB 3.33Å; S374-R377 PolarHBondContact O-N 3.39Å; S374-E378 WeakPolarHBondContact O-CB 3.15Å; S374-E378 WeakPolarHBondContact O-CG 2.92Å; S374-E378 PolarHBondContact O-N 3.18Å
375H93.3Very high91.7Very high98 Ų9859 Ų5945%0.45430%0.296SS..Hα-helixtrans-62.9-42175.8-17257.9000112.8S371 V372 E378 K379S371-H375 WeakPolarHBondContact O-CB 2.93Å; S371-H375 PolarHBondContact O-N 2.93Å; V372-H375 PolarHBondContact O-N 3.42Å; H375-E378 PolarHBondContact O-N 3.29Å; H375-K379 WeakPolarHBondContact CE1-CE 3.35Å; H375-K379 VanDerWaalsContact NE2-CE 3.3Å; H375-K379 WeakPolarHBondContact NE2-CE 3.47Å; H375-K379 PolarHBondContact NE2-NZ 2.9Å; H375-K379 WeakPolarHBondContact O-CB 3.01Å; H375-K379 WeakPolarHBondContact O-CG 3.24Å; H375-K379 PolarHBondContact O-N 2.94Å
376L92.8Very high91.9Very high16 Ų1658.7 Ų58.78%0.08429%0.293CS..Hα-helixtrans-65.4-43.2177.5-172.164.2000111.1L319 R324 L327 T328 L348 V372 F373 S374 F380L319-L376 HydrophobicContact CD2-CD2 3.93Å; R324-L376 HydrophobicContact CG-CD2 4.44Å; L327-L376 HydrophobicContact CB-CD1 3.83Å; L327-L376 HydrophobicContact CB-CD2 4.06Å; L327-L376 HydrophobicContact CB-CG 3.96Å; L327-L376 HydrophobicContact CD1-CD2 3.67Å; L327-L376 HydrophobicContact CD1-CG 4.11Å; T328-L376 WeakPolarHBondContact OG1-CD1 2.89Å; L348-L376 HydrophobicContact CD1-CD2 4.42Å; L348-L376 HydrophobicContact CD2-CB 4.39Å; L348-L376 HydrophobicContact CD2-CD2 4.28Å; L348-L376 HydrophobicContact CD2-CG 4.26Å; V372-L376 WeakPolarHBondContact O-CB 3.45Å; V372-L376 PolarHBondContact O-N 2.59Å; F373-L376 PolarHBondContact O-N 3.21Å; S374-L376 PolarHBondContact O-N 2.88Å; L376-F380 VanDerWaalsContact O-CB 3.27Å; L376-F380 WeakPolarHBondContact O-CB 3.47Å; L376-F380 PolarHBondContact O-N 2.62Å
377R94.1Very high92Very high52 Ų5259.8 Ų59.820%0.19630%0.3CS..Hα-helixtrans-58.9-49175.5-179.8-172.966.1-173.1-2.2111L348 I352 F373 S374 S381 W444 V449L348-R377 HydrophobicContact CD2-CB 3.98Å; I352-R377 HydrophobicContact CD1-CB 4.41Å; F373-R377 VanDerWaalsContact O-CB 3.3Å; F373-R377 WeakPolarHBondContact O-CB 3.34Å; F373-R377 PolarHBondContact O-N 2.94Å; S374-R377 WeakPolarHBondContact O-CB 3.33Å; S374-R377 PolarHBondContact O-N 3.39Å; R377-S381 VanDerWaalsContact O-CB 3.26Å; R377-S381 WeakPolarHBondContact O-CB 3.45Å; R377-S381 PolarHBondContact O-N 3.11Å; R377-S381 PolarHBondContact O-OG 3.05Å; R377-W444 HydrophobicContact CG-CH2 4.13Å; R377-W444 HydrophobicContact CG-CZ2 3.95Å; R377-V449 HydrophobicContact CG-CG2 3.81Å
378E92.3Very high92.1Very high96 Ų9654 Ų5445%0.44927%0.273SS..Hα-helixtrans-62.6-53.6-179.7-75.8176.5-174.300111.3S374 H375 F380 S381 E382S374-E378 WeakPolarHBondContact O-CB 3.15Å; S374-E378 WeakPolarHBondContact O-CG 2.92Å; S374-E378 PolarHBondContact O-N 3.18Å; H375-E378 PolarHBondContact O-N 3.29Å; E378-F380 VanDerWaalsContact C-N 3.33Å; E378-F380 PolarHBondContact O-N 2.8Å; E378-S381 WeakPolarHBondContact CA-OG 3.37Å; E378-S381 PolarHBondContact O-N 3Å; E378-S381 VanDerWaalsContact O-N 3.1Å; E378-S381 PolarHBondContact O-OG 2.73Å; E378-E382 WeakPolarHBondContact O-CG 3.43Å; E378-E382 PolarHBondContact O-N 2.91Å
379K92Very high92.1Very high97 Ų9748.7 Ų48.742%0.42225%0.25SC..Hα-helixtrans-57.9-42.8178.3-78.3-177.1167.1177.20113.4H375 R383H375-K379 WeakPolarHBondContact CE1-CE 3.35Å; H375-K379 VanDerWaalsContact NE2-CE 3.3Å; H375-K379 WeakPolarHBondContact NE2-CE 3.47Å; H375-K379 PolarHBondContact NE2-NZ 2.9Å; H375-K379 WeakPolarHBondContact O-CB 3.01Å; H375-K379 WeakPolarHBondContact O-CG 3.24Å; H375-K379 PolarHBondContact O-N 2.94Å; K379-R383 VanDerWaalsContact O-CG 3.31Å; K379-R383 WeakPolarHBondContact O-CG 3Å; K379-R383 PolarHBondContact O-N 3.33Å; K379-R383 VanDerWaalsContact O-N 3.15Å
380F93.9Very high92Very high1 Ų149.3 Ų49.30%0.00426%0.259CS..Hα-helixtrans-66-43.7177176.4-101.3000110.9L327 C330 C341 A345 L376 E378 E382 R383 F384 L441 W444L327-F380 HydrophobicContact CB-CD2 4.45Å; L327-F380 HydrophobicContact CD2-CB 4.43Å; L327-F380 HydrophobicContact CD2-CD1 4.05Å; L327-F380 HydrophobicContact CD2-CD2 3.61Å; L327-F380 HydrophobicContact CD2-CE1 4.2Å; L327-F380 HydrophobicContact CD2-CE2 3.75Å; L327-F380 HydrophobicContact CD2-CG 3.76Å; L327-F380 HydrophobicContact CD2-CZ 4.06Å; C330-F380 HydrophobicContact CB-CD2 4.06Å; C330-F380 HydrophobicContact CB-CE2 4.15Å; C330-F380 WeakPolarHBondContact SG-CE2 3.33Å; C341-F380 HydrophobicContact CB-CE2 4.08Å; C341-F380 HydrophobicContact CB-CZ 4.09Å; A345-F380 HydrophobicContact CB-CE1 3.91Å; A345-F380 HydrophobicContact CB-CZ 4.37Å; L376-F380 VanDerWaalsContact O-CB 3.27Å; L376-F380 WeakPolarHBondContact O-CB 3.47Å; L376-F380 PolarHBondContact O-N 2.62Å; E378-F380 VanDerWaalsContact C-N 3.33Å; E378-F380 PolarHBondContact O-N 2.8Å; F380-E382 PolarHBondContact O-N 3.46Å; F380-R383 PolarHBondContact O-N 3.21Å; F380-F384 VanDerWaalsContact O-CB 3.31Å; F380-F384 WeakPolarHBondContact O-CB 3.4Å; F380-F384 PolarHBondContact O-N 2.61Å; F380-L441 HydrophobicContact CE1-CD2 3.99Å; F380-L441 HydrophobicContact CZ-CD2 3.81Å; F380-W444 HydrophobicContact CD1-CE3 4.38Å; F380-W444 AromaticContact CD1-CH2 3.46Å; F380-W444 HydrophobicContact CD1-CH2 3.46Å; F380-W444 VanDerWaalsContact CD1-CH2 3.46Å; F380-W444 HydrophobicContact CD1-CZ2 4.15Å; F380-W444 AromaticContact CD1-CZ3 3.57Å; F380-W444 HydrophobicContact CD1-CZ3 3.57Å; F380-W444 HydrophobicContact CE1-CE3 4.05Å; F380-W444 AromaticContact CE1-CH2 3.95Å; F380-W444 HydrophobicContact CE1-CH2 3.95Å; F380-W444 AromaticContact CE1-CZ3 3.66Å; F380-W444 HydrophobicContact CE1-CZ3 3.66Å
381S93.2Very high91.9Very high6 Ų650.3 Ų50.34%0.04226%0.264CS..Hα-helixtrans-61.3-42.4177.873.90000112.7R377 E378 F384 V385R377-S381 VanDerWaalsContact O-CB 3.26Å; R377-S381 WeakPolarHBondContact O-CB 3.45Å; R377-S381 PolarHBondContact O-N 3.11Å; R377-S381 PolarHBondContact O-OG 3.05Å; E378-S381 WeakPolarHBondContact CA-OG 3.37Å; E378-S381 PolarHBondContact O-N 3Å; E378-S381 VanDerWaalsContact O-N 3.1Å; E378-S381 PolarHBondContact O-OG 2.73Å; S381-F384 PolarHBondContact O-N 3.29Å; S381-V385 WeakPolarHBondContact O-CB 3.19Å; S381-V385 VanDerWaalsContact O-CG2 3.25Å; S381-V385 WeakPolarHBondContact O-CG2 3.36Å; S381-V385 PolarHBondContact O-N 3Å
382E92.8Very high91.7Very high131 Ų13146.8 Ų46.861%0.61224%0.239SC*.Hα-helixtrans-62.6-45.7177-73.1178170.100111.5E378 F380 V385 A386E378-E382 WeakPolarHBondContact O-CG 3.43Å; E378-E382 PolarHBondContact O-N 2.91Å; F380-E382 PolarHBondContact O-N 3.46Å; E382-V385 PolarHBondContact O-N 3.45Å; E382-A386 VanDerWaalsContact O-CB 3.28Å; E382-A386 WeakPolarHBondContact O-CB 3.31Å; E382-A386 PolarHBondContact O-N 2.7Å
383R91.6Very high91.3Very high121 Ų12149.8 Ų49.846%0.45724%0.244SC..Hα-helixtrans-65.1-41.5177.1-72.2179.5-177.5-171.66.6112.3T328 K379 F380 A386 H387T328-R383 PolarHBondContact O-NH1 3.04Å; K379-R383 VanDerWaalsContact O-CG 3.31Å; K379-R383 WeakPolarHBondContact O-CG 3Å; K379-R383 PolarHBondContact O-N 3.33Å; K379-R383 VanDerWaalsContact O-N 3.15Å; F380-R383 PolarHBondContact O-N 3.21Å; R383-A386 PolarHBondContact O-N 3.37Å; R383-H387 VanDerWaalsContact O-CB 3.32Å; R383-H387 WeakPolarHBondContact O-CB 3.27Å; R383-H387 PolarHBondContact O-N 2.85Å
384F93.4Very high90.8Very high0 Ų052.7 Ų52.70%026%0.264CS..Hα-helixtrans-63.1-48.3177176.9-117.1000111.3L332 F380 S381 A386 H387 L388 F438 L441 V442 L445L332-F384 HydrophobicContact CD1-CD2 3.92Å; F380-F384 VanDerWaalsContact O-CB 3.31Å; F380-F384 WeakPolarHBondContact O-CB 3.4Å; F380-F384 PolarHBondContact O-N 2.61Å; S381-F384 PolarHBondContact O-N 3.29Å; F384-A386 VanDerWaalsContact C-N 3.33Å; F384-A386 PolarHBondContact O-N 3.4Å; F384-H387 PolarHBondContact O-N 3.46Å; F384-L388 HydrophobicContact CE2-CD1 4.04Å; F384-L388 HydrophobicContact CZ-CD1 4.14Å; F384-L388 WeakPolarHBondContact O-CB 3.38Å; F384-L388 PolarHBondContact O-N 2.97Å; F384-F438 HydrophobicContact CE2-CB 4.46Å; F384-F438 AromaticContact CE2-CD1 3.86Å; F384-F438 HydrophobicContact CE2-CD1 3.86Å; F384-F438 HydrophobicContact CZ-CB 4.44Å; F384-L441 HydrophobicContact CD2-CB 4.46Å; F384-L441 HydrophobicContact CD2-CD1 4.09Å; F384-L441 HydrophobicContact CE1-CB 4.01Å; F384-L441 HydrophobicContact CE2-CB 3.74Å; F384-L441 HydrophobicContact CE2-CD1 3.75Å; F384-L441 HydrophobicContact CE2-CG 4.38Å; F384-L441 HydrophobicContact CZ-CB 3.47Å; F384-L441 VanDerWaalsContact CZ-CB 3.47Å; F384-L441 HydrophobicContact CZ-CD1 4.37Å; F384-V442 HydrophobicContact CE1-CG2 4.23Å; F384-V442 HydrophobicContact CZ-CG2 3.99Å; F384-L445 HydrophobicContact CD1-CD1 4.48Å; F384-L445 HydrophobicContact CD1-CD2 4.1Å; F384-L445 HydrophobicContact CE1-CB 4.33Å; F384-L445 HydrophobicContact CE1-CD2 4.08Å
385V92.6Very high90.1Very high15 Ų1551.6 Ų51.69%0.09126%0.256CS..Hα-helixtrans-61.3-42.3176.6171.10000111S381 E382 T389 L445 I455S381-V385 WeakPolarHBondContact O-CB 3.19Å; S381-V385 VanDerWaalsContact O-CG2 3.25Å; S381-V385 WeakPolarHBondContact O-CG2 3.36Å; S381-V385 PolarHBondContact O-N 3Å; E382-V385 PolarHBondContact O-N 3.45Å; V385-T389 WeakPolarHBondContact O-CB 3.26Å; V385-T389 PolarHBondContact O-N 3.32Å; V385-T389 PolarHBondContact O-OG1 3.37Å; V385-L445 HydrophobicContact CG2-CD1 4.27Å; V385-L445 HydrophobicContact CG2-CD2 3.79Å; V385-I455 HydrophobicContact CG1-CG2 3.96Å
386A91.2Very high89.1Confident59 Ų5947.9 Ų47.949%0.48824%0.239SC..Hα-helixtrans-63.8-43.7176.800000112.3E382 R383 F384 S390E382-A386 VanDerWaalsContact O-CB 3.28Å; E382-A386 WeakPolarHBondContact O-CB 3.31Å; E382-A386 PolarHBondContact O-N 2.7Å; R383-A386 PolarHBondContact O-N 3.37Å; F384-A386 VanDerWaalsContact C-N 3.33Å; F384-A386 PolarHBondContact O-N 3.4Å; A386-S390 WeakPolarHBondContact O-CB 3.48Å; A386-S390 PolarHBondContact O-N 3.06Å
387H91.3Very high88.1Confident55 Ų5551 Ų5126%0.25525%0.254SS..Hα-helixtrans-62.9-51.8177.5-178.878.1000111.4L332 R383 F384 T389 S390 L391 F438L332-H387 WeakPolarHBondContact CB-NE2 3.34Å; L332-H387 HydrophobicContact CD1-CB 3.71Å; R383-H387 VanDerWaalsContact O-CB 3.32Å; R383-H387 WeakPolarHBondContact O-CB 3.27Å; R383-H387 PolarHBondContact O-N 2.85Å; F384-H387 PolarHBondContact O-N 3.46Å; H387-T389 VanDerWaalsContact C-N 3.31Å; H387-T389 PolarHBondContact O-N 2.9Å; H387-S390 CarbonylContact O-C 3.59Å; H387-S390 WeakPolarHBondContact O-CA 3.26Å; H387-S390 WeakPolarHBondContact O-CB 3.3Å; H387-S390 PolarHBondContact O-N 3.1Å; H387-L391 WeakPolarHBondContact NE2-CD1 3.46Å; H387-L391 WeakPolarHBondContact O-CG 3.15Å; H387-L391 PolarHBondContact O-N 2.88Å; H387-F438 AromaticContact NE2-CZ 3.92Å
388L91.1Very high86.9Confident0 Ų052.3 Ų52.30%026%0.264CS..Hα-helixtrans-64.5-37-179.3-14889.5000111.6F384 S390 L391 F392 F438 V442 L456 F557F384-L388 HydrophobicContact CE2-CD1 4.04Å; F384-L388 HydrophobicContact CZ-CD1 4.14Å; F384-L388 WeakPolarHBondContact O-CB 3.38Å; F384-L388 PolarHBondContact O-N 2.97Å; L388-S390 VanDerWaalsContact C-N 3.33Å; L388-S390 PolarHBondContact O-N 3.48Å; L388-L391 HydrophobicContact CD1-CD1 4.42Å; L388-L391 WeakPolarHBondContact O-CB 3.43Å; L388-L391 PolarHBondContact O-N 3.49Å; L388-F392 HydrophobicContact CD2-CE1 3.75Å; L388-F392 HydrophobicContact CD2-CE2 3.9Å; L388-F392 HydrophobicContact CD2-CZ 3.22Å; L388-F392 HydrophobicContact CG-CE1 3.84Å; L388-F392 HydrophobicContact CG-CE2 4.31Å; L388-F392 HydrophobicContact CG-CZ 3.75Å; L388-F392 WeakPolarHBondContact O-CD1 3.32Å; L388-F392 WeakPolarHBondContact O-CD2 3.49Å; L388-F392 WeakPolarHBondContact O-CG 3.38Å; L388-F392 PolarHBondContact O-N 2.98Å; L388-F438 HydrophobicContact CD1-CB 3.81Å; L388-F438 HydrophobicContact CD1-CD1 3.98Å; L388-F438 HydrophobicContact CD1-CD2 3.91Å; L388-F438 HydrophobicContact CD1-CE2 4.47Å; L388-F438 HydrophobicContact CD1-CG 3.63Å; L388-V442 HydrophobicContact CD2-CG2 4.33Å; L388-L456 HydrophobicContact CB-CD1 3.78Å; L388-L456 HydrophobicContact CD2-CD1 3.42Å; L388-L456 VanDerWaalsContact CD2-CD1 3.42Å; L388-L456 HydrophobicContact CD2-CD2 3.48Å; L388-L456 VanDerWaalsContact CD2-CD2 3.48Å; L388-L456 HydrophobicContact CD2-CG 3.79Å; L388-L456 HydrophobicContact CG-CD1 4.17Å; L388-F557 HydrophobicContact CD2-CE1 4.37Å; L388-F557 HydrophobicContact CD2-CZ 4.14Å
389T90.4Very high85.6Confident29 Ų2949.5 Ų49.518%0.17826%0.257CS..Hα-helixtrans-60.7-42171.9-65.30000111.9V385 H387 F392 R393 R459V385-T389 WeakPolarHBondContact O-CB 3.26Å; V385-T389 PolarHBondContact O-N 3.32Å; V385-T389 PolarHBondContact O-OG1 3.37Å; H387-T389 VanDerWaalsContact C-N 3.31Å; H387-T389 PolarHBondContact O-N 2.9Å; T389-F392 PolarHBondContact O-N 3.27Å; T389-R393 PolarHBondContact O-N 3.49Å; T389-R393 VanDerWaalsContact O-N 3.12Å; T389-R459 HydrophobicContact CG2-CG 3.52Å
390S87.8Confident84.2Confident56 Ų5649.5 Ų49.539%0.39226%0.257SS..Hα-helixtrans-66.8-38.9175.5-171.80000111.6A386 H387 L388 R393 S394A386-S390 WeakPolarHBondContact O-CB 3.48Å; A386-S390 PolarHBondContact O-N 3.06Å; H387-S390 CarbonylContact O-C 3.59Å; H387-S390 WeakPolarHBondContact O-CA 3.26Å; H387-S390 WeakPolarHBondContact O-CB 3.3Å; H387-S390 PolarHBondContact O-N 3.1Å; L388-S390 VanDerWaalsContact C-N 3.33Å; L388-S390 PolarHBondContact O-N 3.48Å; S390-R393 PolarHBondContact O-N 2.93Å; S390-S394 WeakPolarHBondContact O-CB 3.47Å; S390-S394 PolarHBondContact O-N 3.34Å
391L87.5Confident82.4Confident48 Ų4857.7 Ų57.725%0.25129%0.293SS..Hα-helixtrans-62-47.6173.7-72.5179.7000111.1H387 L388 R393 S394 L395 F438H387-L391 WeakPolarHBondContact NE2-CD1 3.46Å; H387-L391 WeakPolarHBondContact O-CG 3.15Å; H387-L391 PolarHBondContact O-N 2.88Å; L388-L391 HydrophobicContact CD1-CD1 4.42Å; L388-L391 WeakPolarHBondContact O-CB 3.43Å; L388-L391 PolarHBondContact O-N 3.49Å; L391-R393 VanDerWaalsContact C-N 3.32Å; L391-R393 PolarHBondContact O-N 3.36Å; L391-S394 PolarHBondContact O-N 2.93Å; L391-S394 VanDerWaalsContact O-N 3.11Å; L391-L395 WeakPolarHBondContact O-CB 3.43Å; L391-L395 WeakPolarHBondContact O-CG 3.35Å; L391-L395 PolarHBondContact O-N 3.41Å; L391-F438 HydrophobicContact CD1-CD2 4.45Å; L391-F438 HydrophobicContact CD1-CE1 4.49Å; L391-F438 HydrophobicContact CD1-CE2 3.58Å; L391-F438 HydrophobicContact CD1-CZ 3.58Å
392F87.4Confident80.3Confident6 Ų658.3 Ų58.33%0.02630%0.301CS..Hα-helixtrans-54.8-48.3176.4-62.7-24.1000111.5L388 T389 S394 L395 V396 L435 L456 Y460 C463 F557 F558L388-F392 HydrophobicContact CD2-CE1 3.75Å; L388-F392 HydrophobicContact CD2-CE2 3.9Å; L388-F392 HydrophobicContact CD2-CZ 3.22Å; L388-F392 HydrophobicContact CG-CE1 3.84Å; L388-F392 HydrophobicContact CG-CE2 4.31Å; L388-F392 HydrophobicContact CG-CZ 3.75Å; L388-F392 WeakPolarHBondContact O-CD1 3.32Å; L388-F392 WeakPolarHBondContact O-CD2 3.49Å; L388-F392 WeakPolarHBondContact O-CG 3.38Å; L388-F392 PolarHBondContact O-N 2.98Å; T389-F392 PolarHBondContact O-N 3.27Å; F392-S394 PolarHBondContact O-N 3.28Å; F392-L395 PolarHBondContact O-N 3.18Å; F392-V396 VanDerWaalsContact O-CG2 3.24Å; F392-V396 WeakPolarHBondContact O-CG2 3.22Å; F392-V396 PolarHBondContact O-N 3.41Å; F392-L435 HydrophobicContact CD1-CD1 4.19Å; F392-L435 HydrophobicContact CD1-CD2 3.93Å; F392-L435 HydrophobicContact CE1-CD1 3.73Å; F392-L435 HydrophobicContact CE1-CD2 3.57Å; F392-L435 HydrophobicContact CE1-CG 4.31Å; F392-L456 HydrophobicContact CE2-CD1 3.77Å; F392-L456 HydrophobicContact CE2-CG 4.04Å; F392-L456 HydrophobicContact CZ-CD1 4.26Å; F392-L456 HydrophobicContact CZ-CG 4.34Å; F392-Y460 HydrophobicContact CD1-CD2 4.13Å; F392-Y460 HydrophobicContact CD2-CD2 4.43Å; F392-Y460 AromaticContact CE1-CD2 3.77Å; F392-Y460 HydrophobicContact CE1-CD2 3.77Å; F392-Y460 HydrophobicContact CE1-CE2 4.43Å; F392-Y460 HydrophobicContact CE2-CD2 4.09Å; F392-Y460 HydrophobicContact CE2-CG 4.4Å; F392-Y460 HydrophobicContact CG-CD2 4.44Å; F392-Y460 AromaticContact CZ-CD2 3.72Å; F392-Y460 HydrophobicContact CZ-CD2 3.72Å; F392-Y460 HydrophobicContact CZ-CG 4.32Å; F392-C463 HydrophobicContact CB-CB 4.21Å; F392-F557 HydrophobicContact CZ-CE1 4.46Å; F392-F558 HydrophobicContact CZ-CZ 4.23Å
393R84.6Confident77.7Confident120 Ų12055.7 Ų55.745%0.45330%0.295SS..Hα-helixtrans-61.9-42.2176.4-177.2179.459.783.42.3112.5T389 S390 L391 L395 V396 E397T389-R393 PolarHBondContact O-N 3.49Å; T389-R393 VanDerWaalsContact O-N 3.12Å; S390-R393 PolarHBondContact O-N 2.93Å; L391-R393 VanDerWaalsContact C-N 3.32Å; L391-R393 PolarHBondContact O-N 3.36Å; R393-L395 VanDerWaalsContact C-N 3.32Å; R393-L395 PolarHBondContact O-N 3.12Å; R393-V396 WeakPolarHBondContact O-CB 3.33Å; R393-V396 PolarHBondContact O-N 2.92Å; R393-E397 IonicContact CZ-OE1 3.89Å; R393-E397 IonicContact NH1-OE1 3.1Å; R393-E397 PolarHBondContact NH1-OE1 3.47Å; R393-E397 IonicContact NH1-OE2 3.83Å; R393-E397 WeakPolarHBondContact O-CG 3.32Å; R393-E397 PolarHBondContact O-N 2.86Å
394S80.8Confident75.4Confident60 Ų6055 Ų5542%0.4231%0.307SS..Hα-helixtrans-65.6-35.9177.8-177.30000112.1S390 L391 F392 E397 L398S390-S394 WeakPolarHBondContact O-CB 3.47Å; S390-S394 PolarHBondContact O-N 3.34Å; L391-S394 PolarHBondContact O-N 2.93Å; L391-S394 VanDerWaalsContact O-N 3.11Å; F392-S394 PolarHBondContact O-N 3.28Å; S394-E397 PolarHBondContact O-N 2.87Å; S394-L398 WeakPolarHBondContact O-CB 3.35Å; S394-L398 PolarHBondContact O-N 2.93Å
395L77.3Confident72.9Confident18 Ų1860 Ų609%0.09433%0.333CS..Hα-helixtrans-67.4-39.1175-67.9168.1000111.4L391 F392 R393 L398 A399 I431 L434 L435L391-L395 WeakPolarHBondContact O-CB 3.43Å; L391-L395 WeakPolarHBondContact O-CG 3.35Å; L391-L395 PolarHBondContact O-N 3.41Å; F392-L395 PolarHBondContact O-N 3.18Å; R393-L395 VanDerWaalsContact C-N 3.32Å; R393-L395 PolarHBondContact O-N 3.12Å; L395-L398 PolarHBondContact O-N 2.98Å; L395-A399 WeakPolarHBondContact O-CB 3.17Å; L395-A399 PolarHBondContact O-N 3.15Å; L395-I431 HydrophobicContact CD1-CG2 4.03Å; L395-L434 HydrophobicContact CD2-CB 4.24Å; L395-L434 HydrophobicContact CD2-CD1 3.41Å; L395-L434 VanDerWaalsContact CD2-CD1 3.41Å; L395-L434 HydrophobicContact CD2-CG 4.46Å; L395-L435 HydrophobicContact CD1-CD1 4.43Å; L395-L435 HydrophobicContact CD1-CD2 3.91Å; L395-L435 HydrophobicContact CD1-CG 4.05Å
396V72.9Confident70.7Confident19 Ų1963.6 Ų63.612%0.11536%0.355CS..Hα-helixtrans-60.2-52.1170.4176.20000109.7F392 R393 L398 A399 F400 C463 V467F392-V396 VanDerWaalsContact O-CG2 3.24Å; F392-V396 WeakPolarHBondContact O-CG2 3.22Å; F392-V396 PolarHBondContact O-N 3.41Å; R393-V396 WeakPolarHBondContact O-CB 3.33Å; R393-V396 PolarHBondContact O-N 2.92Å; V396-L398 VanDerWaalsContact C-N 3.29Å; V396-L398 PolarHBondContact O-N 2.97Å; V396-A399 WeakPolarHBondContact O-CA 3.28Å; V396-A399 WeakPolarHBondContact O-CB 3.47Å; V396-A399 PolarHBondContact O-N 3.41Å; V396-F400 HydrophobicContact CG1-CD2 3.53Å; V396-F400 HydrophobicContact CG1-CE2 3.53Å; V396-F400 VanDerWaalsContact O-CD2 3.26Å; V396-F400 WeakPolarHBondContact O-CD2 3.48Å; V396-F400 PolarHBondContact O-N 2.83Å; V396-C463 HydrophobicContact CG2-CB 3.59Å; V396-V467 HydrophobicContact CB-CG2 4.25Å; V396-V467 HydrophobicContact CG1-CG2 4.12Å; V396-V467 HydrophobicContact CG2-CG2 3.82Å
397E72.7Confident68.4Low82 Ų8263.7 Ų63.738%0.38334%0.343SS..Hα-helixtrans-58.5-38.6178-75.4170.1-165.600112.5R393 S394 F400 F401R393-E397 IonicContact CZ-OE1 3.89Å; R393-E397 IonicContact NH1-OE1 3.1Å; R393-E397 PolarHBondContact NH1-OE1 3.47Å; R393-E397 IonicContact NH1-OE2 3.83Å; R393-E397 WeakPolarHBondContact O-CG 3.32Å; R393-E397 PolarHBondContact O-N 2.86Å; S394-E397 PolarHBondContact O-N 2.87Å; E397-F400 PolarHBondContact O-N 3.5Å; E397-F401 HydrophobicContact CB-CD2 4.48Å; E397-F401 WeakPolarHBondContact O-CB 3.08Å; E397-F401 PolarHBondContact O-N 3.24Å
398L68.2Low66.1Low80 Ų8062.3 Ų62.342%0.41934%0.34SS..Hα-helixtrans-66.4-37.3174.8-16096.8000111.8S394 L395 V396 F400 G402 M430S394-L398 WeakPolarHBondContact O-CB 3.35Å; S394-L398 PolarHBondContact O-N 2.93Å; L395-L398 PolarHBondContact O-N 2.98Å; V396-L398 VanDerWaalsContact C-N 3.29Å; V396-L398 PolarHBondContact O-N 2.97Å; L398-F400 VanDerWaalsContact C-N 3.34Å; L398-G402 WeakPolarHBondContact O-CA 3.35Å; L398-G402 PolarHBondContact O-N 2.79Å; L398-M430 HydrophobicContact CD2-CE 4.46Å
399A65.2Low63.7Low37 Ų3767.4 Ų67.431%0.30637%0.366SS..Hα-helixtrans-69.5-30.1175.300000112.7L395 V396 V467L395-A399 WeakPolarHBondContact O-CB 3.17Å; L395-A399 PolarHBondContact O-N 3.15Å; V396-A399 WeakPolarHBondContact O-CA 3.28Å; V396-A399 WeakPolarHBondContact O-CB 3.47Å; V396-A399 PolarHBondContact O-N 3.41Å; A399-V467 HydrophobicContact CB-CG2 4.48Å
400F61.8Low61.3Low96 Ų9673.3 Ų73.342%0.42139%0.386SS..Hα-helixtrans-88.4-48.8179.8-85.6-83000114.1V396 E397 L398 D466 S470V396-F400 HydrophobicContact CG1-CD2 3.53Å; V396-F400 HydrophobicContact CG1-CE2 3.53Å; V396-F400 VanDerWaalsContact O-CD2 3.26Å; V396-F400 WeakPolarHBondContact O-CD2 3.48Å; V396-F400 PolarHBondContact O-N 2.83Å; E397-F400 PolarHBondContact O-N 3.5Å; L398-F400 VanDerWaalsContact C-N 3.34Å; F400-D466 HydrophobicContact CE2-CB 4.42Å; F400-D466 WeakPolarHBondContact CZ-O 3.43Å; F400-S470 WeakPolarHBondContact CE1-OG 3.39Å; F400-S470 VanDerWaalsContact CZ-CB 3.43Å
401F56.2Low59.2Low173 Ų17373.1 Ų73.176%0.75938%0.383SS*.Hα-helixtrans-111.4-2.5-171.6-60.8-76.7000113.7E397 P403E397-F401 HydrophobicContact CB-CD2 4.48Å; E397-F401 WeakPolarHBondContact O-CB 3.08Å; E397-F401 PolarHBondContact O-N 3.24Å; F401-P403 VanDerWaalsContact O-N 3.14Å
402G50.1Low56.7Low20 Ų2075.8 Ų75.821%0.20639%0.394CS..SBendtrans-45.1126.517800000108.9L398L398-G402 WeakPolarHBondContact O-CA 3.35Å; L398-G402 PolarHBondContact O-N 2.79Å
403P38.6Very low54.7Low75 Ų7579.2 Ų79.249%0.48742%0.423SS..  trans-50.1137.7-172.817.2-29.8000107.7F401 N405 V406F401-P403 VanDerWaalsContact O-N 3.14Å; P403-N405 PolarHBondContact O-N 3.17Å; P403-V406 HydrophobicContact CG-CG2 4.01Å; P403-V406 PolarHBondContact O-N 3.03Å
404P41.5Very low52.5Low108 Ų10880.6 Ų80.670%0.70144%0.435SS*.THydrogen-bonded Turntrans-64.319.9-174.625.3-33.7000113.5S408P404-S408 WeakPolarHBondContact O-CB 3.12Å; P404-S408 PolarHBondContact O-OG 3.34Å
405N41.3Very low50.5Low104 Ų10480.4 Ų80.456%0.55643%0.427SS*.THydrogen-bonded Turntrans-120.9-18.1173.7-71.3-1.8000114.2P403 S408 L409P403-N405 PolarHBondContact O-N 3.17Å; N405-S408 WeakPolarHBondContact CA-OG 3.14Å; N405-L409 HydrophobicContact CB-CD1 4.21Å; N405-L409 HydrophobicContact CB-CG 4.48Å; N405-L409 WeakPolarHBondContact O-CA 3.16Å; N405-L409 WeakPolarHBondContact O-CB 3.4Å; N405-L409 WeakPolarHBondContact O-CD1 3.47Å; N405-L409 WeakPolarHBondContact O-CG 3.41Å; N405-L409 PolarHBondContact O-N 2.79Å
406V46.4Very low48.6Very low90 Ų9083.6 Ų83.655%0.54546%0.457SS..Hα-helixtrans-89.3-50.1177.5-179.60000110.8P403 S408 L409 Y410P403-V406 HydrophobicContact CG-CG2 4.01Å; P403-V406 PolarHBondContact O-N 3.03Å; V406-S408 VanDerWaalsContact C-N 3.31Å; V406-L409 PolarHBondContact O-N 3.14Å; V406-Y410 PolarHBondContact O-N 3.48Å; V406-Y410 VanDerWaalsContact O-N 3.11Å
407Y42.6Very low47.1Very low62 Ų6289.8 Ų89.824%0.24349%0.487CS..Hα-helixtrans-66.5-39.2172.4-135.4-88.3000110.3V411 P426 M430Y407-V411 HydrophobicContact CD1-CG2 4.03Å; Y407-V411 HydrophobicContact CE1-CG2 4.32Å; Y407-V411 WeakPolarHBondContact O-CB 3.42Å; Y407-V411 WeakPolarHBondContact O-CG2 3.19Å; Y407-V411 PolarHBondContact O-N 3.4Å; Y407-P426 HydrophobicContact CE1-CB 4.45Å; Y407-M430 HydrophobicContact CD2-CE 3.99Å; Y407-M430 HydrophobicContact CE2-CE 3.99Å
408S44.5Very low45Very low25 Ų2593.1 Ų93.118%0.17550%0.503CS..Hα-helixtrans-75.1-32.3175.590.60000113.1P404 N405 V406 Q412P404-S408 WeakPolarHBondContact O-CB 3.12Å; P404-S408 PolarHBondContact O-OG 3.34Å; N405-S408 WeakPolarHBondContact CA-OG 3.14Å; V406-S408 VanDerWaalsContact C-N 3.31Å; S408-Q412 VanDerWaalsContact O-CA 3.24Å; S408-Q412 WeakPolarHBondContact O-CA 3.45Å; S408-Q412 WeakPolarHBondContact O-CB 3.28Å; S408-Q412 WeakPolarHBondContact O-CG 3.49Å; S408-Q412 PolarHBondContact O-N 2.9Å
409L40.8Very low43.5Very low107 Ų10794 Ų9456%0.5652%0.516SS*.Hα-helixtrans-74.1-31.3176.6-73.9167000111.5N405 V406 A413N405-L409 HydrophobicContact CB-CD1 4.21Å; N405-L409 HydrophobicContact CB-CG 4.48Å; N405-L409 WeakPolarHBondContact O-CA 3.16Å; N405-L409 WeakPolarHBondContact O-CB 3.4Å; N405-L409 WeakPolarHBondContact O-CD1 3.47Å; N405-L409 WeakPolarHBondContact O-CG 3.41Å; N405-L409 PolarHBondContact O-N 2.79Å; V406-L409 PolarHBondContact O-N 3.14Å; L409-A413 WeakPolarHBondContact O-CA 3.47Å; L409-A413 WeakPolarHBondContact O-CB 3.31Å; L409-A413 PolarHBondContact O-N 3.12Å
410Y39.7Very low42.2Very low153 Ų15397.6 Ų97.660%0.654%0.536SS*.Hα-helixtrans-71.7-43.7173.5-150.8-88.3000111.1V406 Q414V406-Y410 PolarHBondContact O-N 3.48Å; V406-Y410 VanDerWaalsContact O-N 3.11Å; Y410-Q414 PolarHBondContact O-N 3.32Å
411V43.7Very low41.2Very low52 Ų5299 Ų9932%0.31555%0.547SS..Hα-helixtrans-70.7-41.9177173.40000111.5Y407 Q414 E415Y407-V411 HydrophobicContact CD1-CG2 4.03Å; Y407-V411 HydrophobicContact CE1-CG2 4.32Å; Y407-V411 WeakPolarHBondContact O-CB 3.42Å; Y407-V411 WeakPolarHBondContact O-CG2 3.19Å; Y407-V411 PolarHBondContact O-N 3.4Å; V411-Q414 CarbonylContact O-C 2.9Å; V411-Q414 PolarHBondContact O-N 3.09Å; V411-E415 HydrophobicContact CG1-CG 3.95Å; V411-E415 WeakPolarHBondContact CG1-OE1 3.32Å; V411-E415 WeakPolarHBondContact CG1-OE2 3.3Å; V411-E415 WeakPolarHBondContact O-CB 3.3Å; V411-E415 VanDerWaalsContact O-CG 3.26Å; V411-E415 WeakPolarHBondContact O-CG 3.49Å; V411-E415 PolarHBondContact O-N 2.83Å
412Q35.7Very low40.8Very low105 Ų10593.7 Ų93.749%0.49153%0.528SS..Hα-helixtrans-73-29.9175.5-67.7172.2-7.500112.7S408 Q414 E415 A416S408-Q412 VanDerWaalsContact O-CA 3.24Å; S408-Q412 WeakPolarHBondContact O-CA 3.45Å; S408-Q412 WeakPolarHBondContact O-CB 3.28Å; S408-Q412 WeakPolarHBondContact O-CG 3.49Å; S408-Q412 PolarHBondContact O-N 2.9Å; Q412-Q414 PolarHBondContact O-N 3.33Å; Q412-E415 PolarHBondContact O-N 3.48Å; Q412-A416 WeakPolarHBondContact O-CA 3.47Å; Q412-A416 WeakPolarHBondContact O-CB 3.49Å; Q412-A416 PolarHBondContact O-N 3.44Å
413A44.6Very low40.9Very low77 Ų7795.3 Ų95.364%0.63653%0.532SS*.Hα-helixtrans-64.2-28.7170.800000111L409L409-A413 WeakPolarHBondContact O-CA 3.47Å; L409-A413 WeakPolarHBondContact O-CB 3.31Å; L409-A413 PolarHBondContact O-N 3.12Å
414Q38.6Very low42Very low149 Ų14998 Ų9870%0.69654%0.536SS*.Hα-helixtrans-92.7-28177.1-140.8154.1-19.200113Y410 V411 Q412Y410-Q414 PolarHBondContact O-N 3.32Å; V411-Q414 CarbonylContact O-C 2.9Å; V411-Q414 PolarHBondContact O-N 3.09Å; Q412-Q414 PolarHBondContact O-N 3.33Å
415E38.7Very low43.1Very low56 Ų5693.1 Ų93.126%0.26251%0.505SS..Hα-helixtrans-92.4-12.9177.9-72.6178.9-177.100113.8V411 Q412 I417 E418 T422V411-E415 HydrophobicContact CG1-CG 3.95Å; V411-E415 WeakPolarHBondContact CG1-OE1 3.32Å; V411-E415 WeakPolarHBondContact CG1-OE2 3.3Å; V411-E415 WeakPolarHBondContact O-CB 3.3Å; V411-E415 VanDerWaalsContact O-CG 3.26Å; V411-E415 WeakPolarHBondContact O-CG 3.49Å; V411-E415 PolarHBondContact O-N 2.83Å; Q412-E415 PolarHBondContact O-N 3.48Å; E415-I417 PolarHBondContact O-N 3.42Å; E415-E418 CarbonylContact O-C 3.5Å; E415-E418 VanDerWaalsContact O-C 3.23Å; E415-E418 PolarHBondContact O-N 3.05Å; E415-E418 VanDerWaalsContact O-O 3.05Å; E415-T422 HydrophobicContact CG-CG2 3.93Å; E415-T422 WeakPolarHBondContact OE1-CG2 3.08Å; E415-T422 PolarHBondContact OE1-OG1 3.19Å; E415-T422 VanDerWaalsContact OE1-OG1 3.07Å
416A37.2Very low44.3Very low86 Ų8690.7 Ų90.771%0.71149%0.494SS*.THydrogen-bonded Turntrans-64.4-7.7174.300000112.8Q412Q412-A416 WeakPolarHBondContact O-CA 3.47Å; Q412-A416 WeakPolarHBondContact O-CB 3.49Å; Q412-A416 PolarHBondContact O-N 3.44Å
417I40.7Very low45.4Very low149 Ų14991.7 Ų91.776%0.76449%0.491SS*.THydrogen-bonded Turntrans-91.6-17.5171.3-63.2178.1000112.1E415E415-I417 PolarHBondContact O-N 3.42Å
418E29.1Very low46.7Very low151 Ų15188.8 Ų88.871%0.70648%0.48SS*.SBendtrans-147.3103.7173.9-68.5-175.1168.800111.5E415E415-E418 CarbonylContact O-C 3.5Å; E415-E418 VanDerWaalsContact O-C 3.23Å; E415-E418 PolarHBondContact O-N 3.05Å; E415-E418 VanDerWaalsContact O-O 3.05Å
419S35.8Very low48.1Very low98 Ų9893.7 Ų93.769%0.68550%0.5SS*.  trans27.2138.7156.760.40000121.4
420P38Very low49.5Very low113 Ų11392 Ų9273%0.73449%0.49SS*.SBendtrans-75.8147-163.634.3-35000113.5
421I41.2Very low51.3Low127 Ų12785.1 Ų85.165%0.65146%0.464SS*.SBendtrans81.173.7176.9-43.2163.2000111.9D423 F478I421-D423 PolarHBondContact O-N 2.65Å; I421-F478 HydrophobicContact CG2-CD2 4.45Å; I421-F478 HydrophobicContact CG2-CE2 3.87Å; I421-F478 HydrophobicContact CG2-CZ 4.38Å
422T47.8Very low53.2Low60 Ų6084.2 Ų84.237%0.36846%0.455SS..  trans-69.7130.5177.257.60000111.9E415 K424E415-T422 HydrophobicContact CG-CG2 3.93Å; E415-T422 WeakPolarHBondContact OE1-CG2 3.08Å; E415-T422 PolarHBondContact OE1-OG1 3.19Å; E415-T422 VanDerWaalsContact OE1-OG1 3.07Å; T422-K424 PolarHBondContact O-N 2.93Å
423D53.2Low55.3Low55 Ų5581.2 Ų81.229%0.29445%0.453SS..SBendtrans-6124.2169.4-70-22.8000114.7I421 F475 F478 R538I421-D423 PolarHBondContact O-N 2.65Å; D423-F475 WeakPolarHBondContact O-CE2 3.45Å; D423-F478 WeakPolarHBondContact OD1-CE1 3.35Å; D423-R538 IonicContact OD2-CZ 2.78Å; D423-R538 IonicContact OD2-NH1 3.16Å; D423-R538 PolarHBondContact OD2-NH1 3.21Å
424K61.4Low57Low130 Ų13082.3 Ų82.357%0.56545%0.447SS*.SBendtrans-118.7143.3-169.6-65-177.4-179.9171.30111.4T422T422-K424 PolarHBondContact O-N 2.93Å
425L64.9Low59.4Low7 Ų775.2 Ų75.24%0.03741%0.414CS..PPolyproline II helixtrans-69.1136.8170.8-93.380.7000109.4K427 I472 F475 E542L425-K427 PolarHBondContact O-N 2.51Å; L425-I472 HydrophobicContact CD2-CG1 3.92Å; L425-F475 HydrophobicContact CD1-CB 4.17Å; L425-F475 HydrophobicContact CD1-CD1 3.5Å; L425-F475 VanDerWaalsContact CD1-CD1 3.5Å; L425-F475 HydrophobicContact CD1-CD2 3.85Å; L425-F475 HydrophobicContact CD1-CE1 3.63Å; L425-F475 HydrophobicContact CD1-CE2 4.02Å; L425-F475 HydrophobicContact CD1-CG 3.58Å; L425-F475 HydrophobicContact CD1-CZ 3.9Å; L425-E542 HydrophobicContact CD1-CB 3.86Å
426P65.9Low61.6Low53 Ų5378.9 Ų78.934%0.34443%0.429SS..PPolyproline II helixtrans-62.6126.9176.5-11.123.3000110Y407 Q471Y407-P426 HydrophobicContact CE1-CB 4.45Å; P426-Q471 HydrophobicContact CG-CG 4.12Å
427K69.5Low64Low111 Ų11177.2 Ų77.248%0.48341%0.411SS..PPolyproline II helixtrans-79142176.8-61.2-174.4-176-179.50110.9L425 E429L425-K427 PolarHBondContact O-N 2.51Å; K427-E429 HydrophobicContact CB-CG 4.14Å; K427-E429 PolarHBondContact O-N 3Å; K427-E429 VanDerWaalsContact O-N 3.12Å
428Q70.4Confident66.4Low1 Ų170.5 Ų70.51%0.00538%0.376CS..  trans-8626.9-173.6-53.6-65-7.200113.6M430 I431 Y432 M464 Q471Q428-M430 VanDerWaalsContact C-N 3.26Å; Q428-M430 PolarHBondContact O-N 2.62Å; Q428-I431 HydrophobicContact CB-CB 4.35Å; Q428-I431 HydrophobicContact CB-CD1 4.43Å; Q428-I431 WeakPolarHBondContact O-CB 3.46Å; Q428-I431 PolarHBondContact O-N 2.83Å; Q428-Y432 HydrophobicContact CB-CD1 4.33Å; Q428-Y432 HydrophobicContact CB-CD2 4.44Å; Q428-Y432 HydrophobicContact CB-CE1 3.81Å; Q428-Y432 HydrophobicContact CB-CE2 3.93Å; Q428-Y432 WeakPolarHBondContact O-CD2 3.15Å; Q428-Y432 VanDerWaalsContact O-CG 3.29Å; Q428-Y432 PolarHBondContact O-N 3.35Å; Q428-M464 HydrophobicContact CG-CE 3.94Å; Q428-Q471 VanDerWaalsContact NE2-OE1 3.11Å
429E72.4Confident69.3Low128 Ų12863.7 Ų63.760%0.59835%0.345SS*.Hα-helixtrans-57.7-36.3-172.5-67.7177.7-171.200112.8K427 Y432 G433K427-E429 HydrophobicContact CB-CG 4.14Å; K427-E429 PolarHBondContact O-N 3Å; K427-E429 VanDerWaalsContact O-N 3.12Å; E429-Y432 PolarHBondContact O-N 2.81Å; E429-G433 PolarHBondContact O-N 3.48Å
430M70.8Confident71.9Confident70 Ų7064 Ų6435%0.34534%0.339SS..Hα-helixtrans-66.8-41.7175.5-68.4-133.1-63.300112.8L398 Y407 Q428 Y432 G433 L434L398-M430 HydrophobicContact CD2-CE 4.46Å; Y407-M430 HydrophobicContact CD2-CE 3.99Å; Y407-M430 HydrophobicContact CE2-CE 3.99Å; Q428-M430 VanDerWaalsContact C-N 3.26Å; Q428-M430 PolarHBondContact O-N 2.62Å; M430-Y432 VanDerWaalsContact C-N 3.34Å; M430-G433 PolarHBondContact O-N 2.97Å; M430-L434 WeakPolarHBondContact O-CG 3.25Å; M430-L434 PolarHBondContact O-N 3.35Å
431I78.5Confident74.4Confident10 Ų1058.6 Ų58.65%0.05130%0.304CS..Hα-helixtrans-62-48176.5-59.7-172.4000108.7L395 Q428 G433 L434 L435 M464L395-I431 HydrophobicContact CD1-CG2 4.03Å; Q428-I431 HydrophobicContact CB-CB 4.35Å; Q428-I431 HydrophobicContact CB-CD1 4.43Å; Q428-I431 WeakPolarHBondContact O-CB 3.46Å; Q428-I431 PolarHBondContact O-N 2.83Å; I431-G433 VanDerWaalsContact C-N 3.33Å; I431-G433 PolarHBondContact O-N 3.26Å; I431-L434 PolarHBondContact O-N 2.84Å; I431-L435 HydrophobicContact CG2-CD1 3.99Å; I431-L435 WeakPolarHBondContact O-CG 3.48Å; I431-L435 PolarHBondContact O-N 3.24Å; I431-M464 HydrophobicContact CD1-SD 4.42Å
432Y83.5Confident76.8Confident32 Ų3252.5 Ų52.513%0.12527%0.273CS..Hα-helixtrans-62.1-40.7179-56.6-24.5000112.1Q428 E429 M430 L435 K436 E550 F553Q428-Y432 HydrophobicContact CB-CD1 4.33Å; Q428-Y432 HydrophobicContact CB-CD2 4.44Å; Q428-Y432 HydrophobicContact CB-CE1 3.81Å; Q428-Y432 HydrophobicContact CB-CE2 3.93Å; Q428-Y432 WeakPolarHBondContact O-CD2 3.15Å; Q428-Y432 VanDerWaalsContact O-CG 3.29Å; Q428-Y432 PolarHBondContact O-N 3.35Å; E429-Y432 PolarHBondContact O-N 2.81Å; M430-Y432 VanDerWaalsContact C-N 3.34Å; Y432-L435 PolarHBondContact O-N 2.92Å; Y432-K436 PolarHBondContact O-N 3.43Å; Y432-E550 PolarHBondContact OH-OE2 3.22Å; Y432-F553 HydrophobicContact CD1-CB 4.1Å; Y432-F553 AromaticContact CD1-CD1 3.6Å; Y432-F553 HydrophobicContact CD1-CD1 3.6Å; Y432-F553 AromaticContact CD1-CD2 3.32Å; Y432-F553 HydrophobicContact CD1-CD2 3.32Å; Y432-F553 AromaticContact CD1-CE1 3.8Å; Y432-F553 HydrophobicContact CD1-CE1 3.8Å; Y432-F553 AromaticContact CD1-CE2 3.54Å; Y432-F553 HydrophobicContact CD1-CE2 3.54Å; Y432-F553 AromaticContact CD1-CG 3.35Å; Y432-F553 HydrophobicContact CD1-CG 3.35Å; Y432-F553 AromaticContact CD1-CZ 3.78Å; Y432-F553 HydrophobicContact CD1-CZ 3.78Å; Y432-F553 HydrophobicContact CD2-CB 4.47Å; Y432-F553 HydrophobicContact CD2-CD2 4.23Å; Y432-F553 HydrophobicContact CD2-CG 4.42Å; Y432-F553 HydrophobicContact CE1-CB 3.83Å; Y432-F553 AromaticContact CE1-CD1 3.51Å; Y432-F553 HydrophobicContact CE1-CD1 3.51Å; Y432-F553 AromaticContact CE1-CD2 3.95Å; Y432-F553 HydrophobicContact CE1-CD2 3.95Å; Y432-F553 HydrophobicContact CE1-CE1 4.06Å; Y432-F553 HydrophobicContact CE1-CE2 4.43Å; Y432-F553 AromaticContact CE1-CG 3.45Å; Y432-F553 HydrophobicContact CE1-CG 3.45Å; Y432-F553 VanDerWaalsContact CE1-CG 3.45Å; Y432-F553 HydrophobicContact CE1-CZ 4.48Å; Y432-F553 HydrophobicContact CE2-CB 4.23Å; Y432-F553 HydrophobicContact CE2-CG 4.49Å; Y432-F553 HydrophobicContact CG-CB 4.41Å; Y432-F553 AromaticContact CG-CD2 3.49Å; Y432-F553 HydrophobicContact CG-CD2 3.49Å; Y432-F553 VanDerWaalsContact CG-CD2 3.49Å; Y432-F553 AromaticContact CG-CE2 3.84Å; Y432-F553 HydrophobicContact CG-CE2 3.84Å; Y432-F553 AromaticContact CG-CG 3.88Å; Y432-F553 HydrophobicContact CG-CG 3.88Å
433G79.4Confident78.8Confident43 Ų4352.1 Ų52.144%0.44327%0.272SS..Hα-helixtrans-61.6-42.7176.600000113.2E429 M430 I431 K436E429-G433 PolarHBondContact O-N 3.48Å; M430-G433 PolarHBondContact O-N 2.97Å; I431-G433 VanDerWaalsContact C-N 3.33Å; I431-G433 PolarHBondContact O-N 3.26Å; G433-K436 WeakPolarHBondContact O-CB 3.18Å; G433-K436 PolarHBondContact O-N 3.11Å
434L80.8Confident80.7Confident100 Ų10049.8 Ų49.852%0.52426%0.259SS..Hα-helixtrans-72.7-29.4179.2-70.1171.2000113L395 M430 I431 P437L395-L434 HydrophobicContact CD2-CB 4.24Å; L395-L434 HydrophobicContact CD2-CD1 3.41Å; L395-L434 VanDerWaalsContact CD2-CD1 3.41Å; L395-L434 HydrophobicContact CD2-CG 4.46Å; M430-L434 WeakPolarHBondContact O-CG 3.25Å; M430-L434 PolarHBondContact O-N 3.35Å; I431-L434 PolarHBondContact O-N 2.84Å; L434-P437 WeakPolarHBondContact O-CD 3.41Å
435L87.4Confident82.1Confident0 Ų043.6 Ų43.60%023%0.232CC..Hα-helixtrans-82.1-22.9176.5-66.5179.4000113.1F392 L395 I431 Y432 P437 F438 Y460 F553 F557F392-L435 HydrophobicContact CD1-CD1 4.19Å; F392-L435 HydrophobicContact CD1-CD2 3.93Å; F392-L435 HydrophobicContact CE1-CD1 3.73Å; F392-L435 HydrophobicContact CE1-CD2 3.57Å; F392-L435 HydrophobicContact CE1-CG 4.31Å; L395-L435 HydrophobicContact CD1-CD1 4.43Å; L395-L435 HydrophobicContact CD1-CD2 3.91Å; L395-L435 HydrophobicContact CD1-CG 4.05Å; I431-L435 HydrophobicContact CG2-CD1 3.99Å; I431-L435 WeakPolarHBondContact O-CG 3.48Å; I431-L435 PolarHBondContact O-N 3.24Å; Y432-L435 PolarHBondContact O-N 2.92Å; L435-P437 VanDerWaalsContact C-N 3.34Å; L435-P437 VanDerWaalsContact O-N 3.14Å; L435-F438 PolarHBondContact O-N 3.06Å; L435-Y460 HydrophobicContact CD1-CE2 4.05Å; L435-F553 HydrophobicContact CB-CZ 3.99Å; L435-F553 HydrophobicContact CD1-CE1 4.22Å; L435-F553 HydrophobicContact CD1-CZ 3.81Å; L435-F557 HydrophobicContact CB-CD2 4.5Å; L435-F557 HydrophobicContact CB-CE2 4.05Å; L435-F557 HydrophobicContact CB-CZ 4.11Å; L435-F557 WeakPolarHBondContact O-CE2 3.27Å
436K86.2Confident83.2Confident133 Ų13345.9 Ų45.958%0.57824%0.242SC*.G310 helixtrans-45.5-45.5-176.3-157.4-175.4-179.3174.60114.8Y432 G433 F438 S439 W556Y432-K436 PolarHBondContact O-N 3.43Å; G433-K436 WeakPolarHBondContact O-CB 3.18Å; G433-K436 PolarHBondContact O-N 3.11Å; K436-F438 PolarHBondContact O-N 3.38Å; K436-F438 VanDerWaalsContact O-N 3.17Å; K436-S439 PolarHBondContact O-N 3.28Å; K436-W556 HydrophobicContact CB-CH2 4.07Å; K436-W556 HydrophobicContact CB-CZ3 4.42Å; K436-W556 HydrophobicContact CD-CH2 4.4Å; K436-W556 HydrophobicContact CG-CH2 3.25Å; K436-W556 HydrophobicContact CG-CZ2 4Å; K436-W556 HydrophobicContact CG-CZ3 3.92Å
437P86.9Confident84.2Confident50 Ų5047.3 Ų47.333%0.32526%0.259SS..G310 helixtrans-64.3-19.7-177.8-22.135.5000114.5P335 I338 L434 L435P335-P437 HydrophobicContact CG-CG 4.49Å; I338-P437 HydrophobicContact CD1-CB 4.06Å; I338-P437 WeakPolarHBondContact CG2-O 3.46Å; L434-P437 WeakPolarHBondContact O-CD 3.41Å; L435-P437 VanDerWaalsContact C-N 3.34Å; L435-P437 VanDerWaalsContact O-N 3.14Å
438F91.2Very high85Confident9 Ų942.8 Ų42.84%0.03924%0.241CC..G310 helixtrans-90.3-4.3-175.6-59.6-77.1000114L332 I338 F384 H387 L388 L391 L435 K436 D440 L441 V442 F557L332-F438 HydrophobicContact CB-CE1 4.23Å; I338-F438 HydrophobicContact CD1-CD1 4.04Å; I338-F438 HydrophobicContact CD1-CE1 3.36Å; I338-F438 HydrophobicContact CD1-CE2 4.08Å; I338-F438 HydrophobicContact CD1-CZ 3.39Å; I338-F438 HydrophobicContact CG1-CD1 4.34Å; I338-F438 HydrophobicContact CG1-CE1 3.74Å; I338-F438 HydrophobicContact CG1-CZ 4.24Å; I338-F438 HydrophobicContact CG2-CD1 4.03Å; I338-F438 HydrophobicContact CG2-CE1 4.28Å; F384-F438 HydrophobicContact CE2-CB 4.46Å; F384-F438 AromaticContact CE2-CD1 3.86Å; F384-F438 HydrophobicContact CE2-CD1 3.86Å; F384-F438 HydrophobicContact CZ-CB 4.44Å; H387-F438 AromaticContact NE2-CZ 3.92Å; L388-F438 HydrophobicContact CD1-CB 3.81Å; L388-F438 HydrophobicContact CD1-CD1 3.98Å; L388-F438 HydrophobicContact CD1-CD2 3.91Å; L388-F438 HydrophobicContact CD1-CE2 4.47Å; L388-F438 HydrophobicContact CD1-CG 3.63Å; L391-F438 HydrophobicContact CD1-CD2 4.45Å; L391-F438 HydrophobicContact CD1-CE1 4.49Å; L391-F438 HydrophobicContact CD1-CE2 3.58Å; L391-F438 HydrophobicContact CD1-CZ 3.58Å; L435-F438 PolarHBondContact O-N 3.06Å; K436-F438 PolarHBondContact O-N 3.38Å; K436-F438 VanDerWaalsContact O-N 3.17Å; F438-D440 VanDerWaalsContact C-N 3.32Å; F438-D440 PolarHBondContact O-N 3.33Å; F438-L441 HydrophobicContact CD1-CD1 4.42Å; F438-L441 PolarHBondContact O-N 2.91Å; F438-L441 VanDerWaalsContact O-N 3.09Å; F438-V442 WeakPolarHBondContact O-CG2 3.45Å; F438-V442 PolarHBondContact O-N 2.9Å; F438-F557 HydrophobicContact CB-CE2 4.05Å; F438-F557 HydrophobicContact CB-CZ 4.26Å
439S89.8Confident85.9Confident7 Ų744 Ų445%0.04925%0.248CC..Hα-helixtrans-53.9-46.3-174.1-166.10000112.6K436 L441 V442 S443 H559K436-S439 PolarHBondContact O-N 3.28Å; S439-L441 VanDerWaalsContact C-N 3.33Å; S439-L441 PolarHBondContact O-N 3.08Å; S439-V442 PolarHBondContact O-N 3.44Å; S439-V442 VanDerWaalsContact O-N 3.15Å; S439-S443 PolarHBondContact O-N 2.87Å; S439-H559 PolarHBondContact O-NE2 2.96Å; S439-H559 PolarHBondContact OG-NE2 3.42Å
440D90.2Very high86.5Confident104 Ų10439.3 Ų39.356%0.55623%0.231SC*.Hα-helixtrans-66.9-35.2-178.5-66.1-28000112.2T342 F438 S443 W444T342-D440 HydrophobicContact CG2-CB 3.59Å; F438-D440 VanDerWaalsContact C-N 3.32Å; F438-D440 PolarHBondContact O-N 3.33Å; D440-S443 WeakPolarHBondContact O-CB 3.46Å; D440-S443 PolarHBondContact O-N 3.15Å; D440-W444 PolarHBondContact O-N 3.49Å
441L91.7Very high87.2Confident0 Ų043.9 Ų43.90%025%0.245CC..Hα-helixtrans-69.1-34.3173.5-77174.2000112.3L332 I338 T342 A345 F380 F384 F438 S439 W444 L445L332-L441 HydrophobicContact CD2-CD1 4.08Å; I338-L441 HydrophobicContact CG2-CD1 3.83Å; T342-L441 WeakPolarHBondContact OG1-CG 3.49Å; A345-L441 HydrophobicContact CB-CD2 4.27Å; F380-L441 HydrophobicContact CE1-CD2 3.99Å; F380-L441 HydrophobicContact CZ-CD2 3.81Å; F384-L441 HydrophobicContact CD2-CB 4.46Å; F384-L441 HydrophobicContact CD2-CD1 4.09Å; F384-L441 HydrophobicContact CE1-CB 4.01Å; F384-L441 HydrophobicContact CE2-CB 3.74Å; F384-L441 HydrophobicContact CE2-CD1 3.75Å; F384-L441 HydrophobicContact CE2-CG 4.38Å; F384-L441 HydrophobicContact CZ-CB 3.47Å; F384-L441 VanDerWaalsContact CZ-CB 3.47Å; F384-L441 HydrophobicContact CZ-CD1 4.37Å; F438-L441 HydrophobicContact CD1-CD1 4.42Å; F438-L441 PolarHBondContact O-N 2.91Å; F438-L441 VanDerWaalsContact O-N 3.09Å; S439-L441 VanDerWaalsContact C-N 3.33Å; S439-L441 PolarHBondContact O-N 3.08Å; L441-W444 PolarHBondContact O-N 2.83Å; L441-L445 WeakPolarHBondContact O-CB 3.44Å; L441-L445 PolarHBondContact O-N 2.91Å
442V91.6Very high87.6Confident0 Ų043.8 Ų43.80%025%0.246CC..Hα-helixtrans-67.2-40.1173.4175.50000110.6F384 L388 F438 S439 L445 K446 Y453 L456 F557 F558F384-V442 HydrophobicContact CE1-CG2 4.23Å; F384-V442 HydrophobicContact CZ-CG2 3.99Å; L388-V442 HydrophobicContact CD2-CG2 4.33Å; F438-V442 WeakPolarHBondContact O-CG2 3.45Å; F438-V442 PolarHBondContact O-N 2.9Å; S439-V442 PolarHBondContact O-N 3.44Å; S439-V442 VanDerWaalsContact O-N 3.15Å; V442-L445 PolarHBondContact O-N 3.07Å; V442-K446 WeakPolarHBondContact O-CB 3.22Å; V442-K446 PolarHBondContact O-N 2.73Å; V442-Y453 HydrophobicContact CG1-CD2 4.26Å; V442-Y453 HydrophobicContact CG1-CE2 4.12Å; V442-L456 HydrophobicContact CG1-CD2 4.39Å; V442-L456 HydrophobicContact CG2-CD2 4.03Å; V442-F557 WeakPolarHBondContact CG1-O 3.49Å; V442-F557 HydrophobicContact CG2-CE1 4.02Å; V442-F557 HydrophobicContact CG2-CE2 4.06Å; V442-F557 HydrophobicContact CG2-CZ 3.62Å; V442-F558 HydrophobicContact CG1-CD1 3.78Å; V442-F558 HydrophobicContact CG1-CE1 4.45Å
443S89.9Confident87.9Confident51 Ų5142.4 Ų42.436%0.35724%0.241SC..Hα-helixtrans-59.2-46.6172-166.70000112S439 D440 L445 K446 A447S439-S443 PolarHBondContact O-N 2.87Å; D440-S443 WeakPolarHBondContact O-CB 3.46Å; D440-S443 PolarHBondContact O-N 3.15Å; S443-L445 PolarHBondContact O-N 3.3Å; S443-K446 WeakPolarHBondContact O-CB 3.32Å; S443-K446 PolarHBondContact O-N 3.22Å; S443-A447 PolarHBondContact O-N 3.19Å; S443-A447 VanDerWaalsContact O-N 3.12Å
444W92.2Very high88.3Confident6 Ų640.5 Ų40.52%0.02322%0.221CC..Hα-helixtrans-58.5-47.6173172.286.8000111.4A345 R377 F380 D440 L441 K446 A447 S448A345-W444 HydrophobicContact CB-CD2 3.94Å; A345-W444 HydrophobicContact CB-CG 4.1Å; A345-W444 HydrophobicContact CB-CZ2 4.25Å; A345-W444 PolarHBondContact O-NE1 2.89Å; R377-W444 HydrophobicContact CG-CH2 4.13Å; R377-W444 HydrophobicContact CG-CZ2 3.95Å; F380-W444 HydrophobicContact CD1-CE3 4.38Å; F380-W444 AromaticContact CD1-CH2 3.46Å; F380-W444 HydrophobicContact CD1-CH2 3.46Å; F380-W444 VanDerWaalsContact CD1-CH2 3.46Å; F380-W444 HydrophobicContact CD1-CZ2 4.15Å; F380-W444 AromaticContact CD1-CZ3 3.57Å; F380-W444 HydrophobicContact CD1-CZ3 3.57Å; F380-W444 HydrophobicContact CE1-CE3 4.05Å; F380-W444 AromaticContact CE1-CH2 3.95Å; F380-W444 HydrophobicContact CE1-CH2 3.95Å; F380-W444 AromaticContact CE1-CZ3 3.66Å; F380-W444 HydrophobicContact CE1-CZ3 3.66Å; D440-W444 PolarHBondContact O-N 3.49Å; L441-W444 PolarHBondContact O-N 2.83Å; W444-K446 VanDerWaalsContact C-N 3.29Å; W444-K446 PolarHBondContact O-N 3.2Å; W444-A447 PolarHBondContact O-N 2.65Å; W444-A447 VanDerWaalsContact O-N 3.14Å; W444-S448 PolarHBondContact NE1-OG 2.7Å; W444-S448 VanDerWaalsContact O-CB 3.22Å; W444-S448 WeakPolarHBondContact O-CB 3.24Å; W444-S448 PolarHBondContact O-N 2.89Å; W444-S448 PolarHBondContact O-OG 3.38Å; W444-S448 VanDerWaalsContact O-OG 3.09Å
445L91.5Very high88.6Confident0 Ų038.5 Ų38.50%021%0.21CC..Hα-helixtrans-59.9-41.3179.8-174.471.7000111.5F384 V385 L441 V442 S443 A447 S448 V449 L456F384-L445 HydrophobicContact CD1-CD1 4.48Å; F384-L445 HydrophobicContact CD1-CD2 4.1Å; F384-L445 HydrophobicContact CE1-CB 4.33Å; F384-L445 HydrophobicContact CE1-CD2 4.08Å; V385-L445 HydrophobicContact CG2-CD1 4.27Å; V385-L445 HydrophobicContact CG2-CD2 3.79Å; L441-L445 WeakPolarHBondContact O-CB 3.44Å; L441-L445 PolarHBondContact O-N 2.91Å; V442-L445 PolarHBondContact O-N 3.07Å; S443-L445 PolarHBondContact O-N 3.3Å; L445-A447 VanDerWaalsContact C-N 3.35Å; L445-A447 PolarHBondContact O-N 2.58Å; L445-S448 PolarHBondContact O-N 3.25Å; L445-V449 HydrophobicContact CD1-CB 4.04Å; L445-V449 CarbonylContact O-C 3.53Å; L445-V449 WeakPolarHBondContact O-CA 3.3Å; L445-V449 PolarHBondContact O-N 2.52Å; L445-L456 HydrophobicContact CD2-CD2 4.06Å
446K88.6Confident88.7Confident55 Ų5538.5 Ų38.524%0.23921%0.21CC..Hα-helixtrans-59.9-43.3176.3-174.9-179.3176.1-173.10112.1V442 S443 W444 Y453 H559V442-K446 WeakPolarHBondContact O-CB 3.22Å; V442-K446 PolarHBondContact O-N 2.73Å; S443-K446 WeakPolarHBondContact O-CB 3.32Å; S443-K446 PolarHBondContact O-N 3.22Å; W444-K446 VanDerWaalsContact C-N 3.29Å; W444-K446 PolarHBondContact O-N 3.2Å; K446-Y453 HydrophobicContact CB-CD2 3.64Å; K446-Y453 HydrophobicContact CB-CE2 3.87Å; K446-Y453 HydrophobicContact CB-CG 4.01Å; K446-Y453 HydrophobicContact CD-CE1 4.38Å; K446-Y453 HydrophobicContact CD-CE2 4.04Å; K446-Y453 HydrophobicContact CG-CD1 4.22Å; K446-Y453 HydrophobicContact CG-CD2 4.08Å; K446-Y453 HydrophobicContact CG-CE1 4.14Å; K446-Y453 HydrophobicContact CG-CE2 3.99Å; K446-Y453 HydrophobicContact CG-CG 4.19Å; K446-H559 HydrophobicContact CD-CB 4.47Å; K446-H559 PolarHBondContact NZ-O 3.3Å
447A86.7Confident88.9Confident84 Ų8432.4 Ų32.469%0.69418%0.184SC*.Hα-helixtrans-77-35.4-179.200000113.1S443 W444 L445S443-A447 PolarHBondContact O-N 3.19Å; S443-A447 VanDerWaalsContact O-N 3.12Å; W444-A447 PolarHBondContact O-N 2.65Å; W444-A447 VanDerWaalsContact O-N 3.14Å; L445-A447 VanDerWaalsContact C-N 3.35Å; L445-A447 PolarHBondContact O-N 2.58Å
448S85.8Confident88.9Confident15 Ų1534.3 Ų34.311%0.10519%0.186CC..Hα-helixtrans-95.9-39.4-169.4-61.60000114Q349 W444 L445Q349-S448 VanDerWaalsContact OE1-CB 3.32Å; Q349-S448 PolarHBondContact OE1-OG 3.47Å; W444-S448 PolarHBondContact NE1-OG 2.7Å; W444-S448 VanDerWaalsContact O-CB 3.22Å; W444-S448 WeakPolarHBondContact O-CB 3.24Å; W444-S448 PolarHBondContact O-N 2.89Å; W444-S448 PolarHBondContact O-OG 3.38Å; W444-S448 VanDerWaalsContact O-OG 3.09Å; L445-S448 PolarHBondContact O-N 3.25Å
449V88.3Confident88.8Confident26 Ų2639.1 Ų39.116%0.15820%0.204CC..  trans-141.678.1-172-169.50000110.3R377 L445 R451 G452 Y453R377-V449 HydrophobicContact CG-CG2 3.81Å; L445-V449 HydrophobicContact CD1-CB 4.04Å; L445-V449 CarbonylContact O-C 3.53Å; L445-V449 WeakPolarHBondContact O-CA 3.3Å; L445-V449 PolarHBondContact O-N 2.52Å; V449-R451 VanDerWaalsContact C-N 3.26Å; V449-R451 PolarHBondContact O-N 3.4Å; V449-R451 VanDerWaalsContact O-N 3.15Å; V449-G452 PolarHBondContact O-N 3.15Å; V449-Y453 PolarHBondContact O-N 2.98Å
450A85.1Confident88.8Confident30 Ų3038.9 Ų38.925%0.24820%0.202CC..Hα-helixtrans-52.3-40.7-17700000113.5G452 Y453 F454A450-G452 PolarHBondContact O-N 2.86Å; A450-Y453 WeakPolarHBondContact O-CB 3.44Å; A450-Y453 PolarHBondContact O-N 3.37Å; A450-F454 HydrophobicContact CB-CE2 4.42Å; A450-F454 WeakPolarHBondContact O-CD2 3.47Å; A450-F454 PolarHBondContact O-N 3.36Å
451R86.4Confident88.7Confident167 Ų16733.9 Ų33.963%0.6318%0.176SC*.Hα-helixtrans-58.9-45177.9-177.9179.4175.4-174.6-0.7112.4V449 Y453 F454 I455 L573V449-R451 VanDerWaalsContact C-N 3.26Å; V449-R451 PolarHBondContact O-N 3.4Å; V449-R451 VanDerWaalsContact O-N 3.15Å; R451-Y453 VanDerWaalsContact C-N 3.32Å; R451-F454 PolarHBondContact O-N 2.83Å; R451-I455 HydrophobicContact CG-CD1 4.12Å; R451-I455 WeakPolarHBondContact O-CD1 3.39Å; R451-I455 WeakPolarHBondContact O-CG1 3.43Å; R451-I455 PolarHBondContact O-N 3.05Å; R451-I455 VanDerWaalsContact O-N 3.17Å; R451-L573 HydrophobicContact CB-CD2 4.35Å; R451-L573 HydrophobicContact CG-CD2 4.29Å
452G87.1Confident88.5Confident8 Ų836.3 Ų36.38%0.08219%0.189CC..Hα-helixtrans-64-39.7178.100000111.7V449 A450 I455 L456V449-G452 PolarHBondContact O-N 3.15Å; A450-G452 PolarHBondContact O-N 2.86Å; G452-I455 PolarHBondContact O-N 3.5Å; G452-L456 WeakPolarHBondContact O-CB 3.48Å; G452-L456 PolarHBondContact O-N 3.35Å
453Y89.2Confident88.3Confident3 Ų337 Ų371%0.01219%0.193CC..Hα-helixtrans-62-44.5176.4173-98.2000113.1V442 K446 V449 A450 R451 L456 L457 F558 V560V442-Y453 HydrophobicContact CG1-CD2 4.26Å; V442-Y453 HydrophobicContact CG1-CE2 4.12Å; K446-Y453 HydrophobicContact CB-CD2 3.64Å; K446-Y453 HydrophobicContact CB-CE2 3.87Å; K446-Y453 HydrophobicContact CB-CG 4.01Å; K446-Y453 HydrophobicContact CD-CE1 4.38Å; K446-Y453 HydrophobicContact CD-CE2 4.04Å; K446-Y453 HydrophobicContact CG-CD1 4.22Å; K446-Y453 HydrophobicContact CG-CD2 4.08Å; K446-Y453 HydrophobicContact CG-CE1 4.14Å; K446-Y453 HydrophobicContact CG-CE2 3.99Å; K446-Y453 HydrophobicContact CG-CG 4.19Å; V449-Y453 PolarHBondContact O-N 2.98Å; A450-Y453 WeakPolarHBondContact O-CB 3.44Å; A450-Y453 PolarHBondContact O-N 3.37Å; R451-Y453 VanDerWaalsContact C-N 3.32Å; Y453-L456 VanDerWaalsContact O-CB 3.32Å; Y453-L456 WeakPolarHBondContact O-CB 3.44Å; Y453-L456 PolarHBondContact O-N 2.98Å; Y453-L457 HydrophobicContact CD1-CD1 4.01Å; Y453-L457 HydrophobicContact CE1-CD1 3.33Å; Y453-L457 HydrophobicContact CE1-CG 4.05Å; Y453-L457 HydrophobicContact CE2-CD1 4.48Å; Y453-L457 HydrophobicContact CE2-CG 4.41Å; Y453-L457 PolarHBondContact O-N 3.07Å; Y453-F558 HydrophobicContact CE2-CB 4.28Å; Y453-F558 HydrophobicContact CE2-CD1 4.32Å; Y453-F558 WeakPolarHBondContact CE2-O 3.45Å; Y453-F558 PolarHBondContact OH-O 3.37Å; Y453-V560 VanDerWaalsContact OH-CG2 3.29Å; Y453-V560 WeakPolarHBondContact OH-CG2 3.28Å
454F86.8Confident88.1Confident3 Ų334.8 Ų34.81%0.01318%0.177CC..Hα-helixtrans-69.1-35.8177.8-73.5-68000113.4A450 R451 L456 L457 K458 F566 V570 L574 F580A450-F454 HydrophobicContact CB-CE2 4.42Å; A450-F454 WeakPolarHBondContact O-CD2 3.47Å; A450-F454 PolarHBondContact O-N 3.36Å; R451-F454 PolarHBondContact O-N 2.83Å; F454-L456 VanDerWaalsContact C-N 3.26Å; F454-L456 PolarHBondContact O-N 2.87Å; F454-L457 HydrophobicContact CD1-CD1 4.11Å; F454-L457 HydrophobicContact CE1-CD1 4.43Å; F454-L457 PolarHBondContact O-N 3.4Å; F454-K458 PolarHBondContact O-N 2.97Å; F454-F566 HydrophobicContact CE1-CZ 4.36Å; F454-F566 HydrophobicContact CE2-CE1 4.46Å; F454-F566 HydrophobicContact CZ-CD1 4.28Å; F454-F566 AromaticContact CZ-CE1 3.84Å; F454-F566 HydrophobicContact CZ-CE1 3.84Å; F454-F566 HydrophobicContact CZ-CE2 4.31Å; F454-F566 AromaticContact CZ-CZ 3.85Å; F454-F566 HydrophobicContact CZ-CZ 3.85Å; F454-V570 HydrophobicContact CE2-CG1 3.53Å; F454-V570 HydrophobicContact CZ-CG1 3.62Å; F454-L574 HydrophobicContact CD1-CD2 4.33Å; F454-L574 HydrophobicContact CE1-CD2 3.56Å; F454-L574 HydrophobicContact CZ-CD2 3.76Å; F454-L574 HydrophobicContact CZ-CG 4.3Å; F454-F580 HydrophobicContact CD1-CD2 4.48Å
455I88.7Confident87.9Confident57 Ų5737.2 Ų37.229%0.29219%0.189SC..Hα-helixtrans-58.5-44.5171.4-69.5163.9000109.7V385 R451 G452 K458 R459 Y577V385-I455 HydrophobicContact CG1-CG2 3.96Å; R451-I455 HydrophobicContact CG-CD1 4.12Å; R451-I455 WeakPolarHBondContact O-CD1 3.39Å; R451-I455 WeakPolarHBondContact O-CG1 3.43Å; R451-I455 PolarHBondContact O-N 3.05Å; R451-I455 VanDerWaalsContact O-N 3.17Å; G452-I455 PolarHBondContact O-N 3.5Å; I455-K458 PolarHBondContact O-N 2.71Å; I455-R459 WeakPolarHBondContact O-CB 3.35Å; I455-R459 PolarHBondContact O-N 2.88Å; I455-Y577 VanDerWaalsContact CG1-OH 3.23Å; I455-Y577 WeakPolarHBondContact CG1-OH 3.26Å
456L89.2Confident87.5Confident0 Ų041 Ų410%021%0.21CC..Hα-helixtrans-62.7-46.9179.5-164.273.1000112.4L388 F392 V442 L445 G452 Y453 F454 K458 R459 Y460 F558L388-L456 HydrophobicContact CB-CD1 3.78Å; L388-L456 HydrophobicContact CD2-CD1 3.42Å; L388-L456 VanDerWaalsContact CD2-CD1 3.42Å; L388-L456 HydrophobicContact CD2-CD2 3.48Å; L388-L456 VanDerWaalsContact CD2-CD2 3.48Å; L388-L456 HydrophobicContact CD2-CG 3.79Å; L388-L456 HydrophobicContact CG-CD1 4.17Å; F392-L456 HydrophobicContact CE2-CD1 3.77Å; F392-L456 HydrophobicContact CE2-CG 4.04Å; F392-L456 HydrophobicContact CZ-CD1 4.26Å; F392-L456 HydrophobicContact CZ-CG 4.34Å; V442-L456 HydrophobicContact CG1-CD2 4.39Å; V442-L456 HydrophobicContact CG2-CD2 4.03Å; L445-L456 HydrophobicContact CD2-CD2 4.06Å; G452-L456 WeakPolarHBondContact O-CB 3.48Å; G452-L456 PolarHBondContact O-N 3.35Å; Y453-L456 VanDerWaalsContact O-CB 3.32Å; Y453-L456 WeakPolarHBondContact O-CB 3.44Å; Y453-L456 PolarHBondContact O-N 2.98Å; F454-L456 VanDerWaalsContact C-N 3.26Å; F454-L456 PolarHBondContact O-N 2.87Å; L456-K458 PolarHBondContact O-N 3.24Å; L456-R459 PolarHBondContact O-N 2.91Å; L456-Y460 WeakPolarHBondContact O-CB 3.25Å; L456-Y460 PolarHBondContact O-N 2.95Å; L456-F558 HydrophobicContact CD2-CE1 3.94Å; L456-F558 HydrophobicContact CG-CE1 4.22Å
457L89.2Confident87.2Confident6 Ų638.5 Ų38.53%0.03120%0.199CC..Hα-helixtrans-57.2-48.3176.4-79.4177.4000111.9Y453 F454 R459 Y460 S461 F558 V560 F580 L589Y453-L457 HydrophobicContact CD1-CD1 4.01Å; Y453-L457 HydrophobicContact CE1-CD1 3.33Å; Y453-L457 HydrophobicContact CE1-CG 4.05Å; Y453-L457 HydrophobicContact CE2-CD1 4.48Å; Y453-L457 HydrophobicContact CE2-CG 4.41Å; Y453-L457 PolarHBondContact O-N 3.07Å; F454-L457 HydrophobicContact CD1-CD1 4.11Å; F454-L457 HydrophobicContact CE1-CD1 4.43Å; F454-L457 PolarHBondContact O-N 3.4Å; L457-R459 VanDerWaalsContact C-N 3.33Å; L457-R459 PolarHBondContact O-N 3.3Å; L457-Y460 PolarHBondContact O-N 3.02Å; L457-S461 PolarHBondContact O-N 3.3Å; L457-S461 PolarHBondContact O-OG 2.97Å; L457-F558 HydrophobicContact CD2-CB 3.84Å; L457-F558 HydrophobicContact CD2-CD1 3.55Å; L457-F558 HydrophobicContact CD2-CD2 3.89Å; L457-F558 HydrophobicContact CD2-CE1 4.03Å; L457-F558 HydrophobicContact CD2-CE2 4.34Å; L457-F558 HydrophobicContact CD2-CG 3.49Å; L457-F558 VanDerWaalsContact CD2-CG 3.49Å; L457-F558 HydrophobicContact CD2-CZ 4.41Å; L457-F558 HydrophobicContact CG-CD1 4.36Å; L457-V560 HydrophobicContact CD2-CG2 4.43Å; L457-F580 HydrophobicContact CB-CE2 4.33Å; L457-F580 HydrophobicContact CB-CZ 4.01Å; L457-L589 HydrophobicContact CD2-CD1 4.31Å; L457-L589 HydrophobicContact CD2-CD2 4.1Å
458K87.3Confident87.1Confident89 Ų8934.7 Ų34.739%0.38717%0.166SC..Hα-helixtrans-61.6-43.6177.7-178.4173.8-177.4172.20111.3F454 I455 L456 Y460 S461 D462 Y577F454-K458 PolarHBondContact O-N 2.97Å; I455-K458 PolarHBondContact O-N 2.71Å; L456-K458 PolarHBondContact O-N 3.24Å; K458-Y460 VanDerWaalsContact C-N 3.34Å; K458-Y460 PolarHBondContact O-N 3.3Å; K458-S461 WeakPolarHBondContact CA-OG 3.47Å; K458-S461 PolarHBondContact O-N 3.12Å; K458-S461 PolarHBondContact O-OG 2.77Å; K458-D462 PolarHBondContact O-N 3.47Å; K458-Y577 HydrophobicContact CB-CE1 4.48Å; K458-Y577 HydrophobicContact CD-CD1 3.84Å; K458-Y577 HydrophobicContact CD-CE1 3.71Å
459R89.1Confident87.1Confident110 Ų11039.7 Ų39.742%0.41518%0.183SC..Hα-helixtrans-68.7-36.9-177.5-162.754.9167.9-176.91.4112.2T389 I455 L456 L457 C463T389-R459 HydrophobicContact CG2-CG 3.52Å; I455-R459 WeakPolarHBondContact O-CB 3.35Å; I455-R459 PolarHBondContact O-N 2.88Å; L456-R459 PolarHBondContact O-N 2.91Å; L457-R459 VanDerWaalsContact C-N 3.33Å; L457-R459 PolarHBondContact O-N 3.3Å; R459-C463 WeakPolarHBondContact O-CB 3.29Å; R459-C463 PolarHBondContact O-N 2.94Å; R459-C463 VanDerWaalsContact O-N 3.1Å; R459-C463 PolarHBondContact O-SG 3.12Å
460Y90.3Very high86.6Confident2 Ų240.9 Ų40.91%0.00819%0.193CC..Hα-helixtrans-62.1-47.7170.6-179.5-98.9000111.4F392 L435 L456 L457 K458 D462 C463 M464 E550 F553 F558 I593F392-Y460 HydrophobicContact CD1-CD2 4.13Å; F392-Y460 HydrophobicContact CD2-CD2 4.43Å; F392-Y460 AromaticContact CE1-CD2 3.77Å; F392-Y460 HydrophobicContact CE1-CD2 3.77Å; F392-Y460 HydrophobicContact CE1-CE2 4.43Å; F392-Y460 HydrophobicContact CE2-CD2 4.09Å; F392-Y460 HydrophobicContact CE2-CG 4.4Å; F392-Y460 HydrophobicContact CG-CD2 4.44Å; F392-Y460 AromaticContact CZ-CD2 3.72Å; F392-Y460 HydrophobicContact CZ-CD2 3.72Å; F392-Y460 HydrophobicContact CZ-CG 4.32Å; L435-Y460 HydrophobicContact CD1-CE2 4.05Å; L456-Y460 WeakPolarHBondContact O-CB 3.25Å; L456-Y460 PolarHBondContact O-N 2.95Å; L457-Y460 PolarHBondContact O-N 3.02Å; K458-Y460 VanDerWaalsContact C-N 3.34Å; K458-Y460 PolarHBondContact O-N 3.3Å; Y460-D462 VanDerWaalsContact C-N 3.33Å; Y460-D462 PolarHBondContact O-N 3.41Å; Y460-C463 PolarHBondContact O-N 2.89Å; Y460-M464 HydrophobicContact CD1-CG 4.09Å; Y460-M464 HydrophobicContact CD2-CG 4.13Å; Y460-M464 HydrophobicContact CE1-CB 4.45Å; Y460-M464 HydrophobicContact CE1-CG 3.59Å; Y460-M464 HydrophobicContact CE2-CG 3.65Å; Y460-M464 HydrophobicContact CE2-SD 4.16Å; Y460-M464 HydrophobicContact CG-CG 4.34Å; Y460-M464 WeakPolarHBondContact O-CG 3.46Å; Y460-M464 PolarHBondContact O-N 3.45Å; Y460-E550 VanDerWaalsContact CE1-OE1 3.26Å; Y460-E550 WeakPolarHBondContact CE1-OE1 3.33Å; Y460-E550 VanDerWaalsContact CZ-OE1 3.27Å; Y460-E550 PolarHBondContact OH-OE1 3.45Å; Y460-F553 HydrophobicContact CE2-CE1 4.06Å; Y460-F553 AromaticContact CZ-CE1 3.76Å; Y460-F553 VanDerWaalsContact OH-CD1 3.3Å; Y460-F553 WeakPolarHBondContact OH-CD1 3.38Å; Y460-F553 VanDerWaalsContact OH-CE1 3.24Å; Y460-F553 WeakPolarHBondContact OH-CE1 3.33Å; Y460-F558 AromaticContact CD1-CE2 3.51Å; Y460-F558 HydrophobicContact CD1-CE2 3.51Å; Y460-F558 AromaticContact CD1-CZ 3.85Å; Y460-F558 HydrophobicContact CD1-CZ 3.85Å; Y460-F558 HydrophobicContact CD2-CE2 4.11Å; Y460-F558 AromaticContact CD2-CZ 3.86Å; Y460-F558 HydrophobicContact CD2-CZ 3.86Å; Y460-F558 AromaticContact CE1-CE2 3.81Å; Y460-F558 HydrophobicContact CE1-CE2 3.81Å; Y460-F558 HydrophobicContact CE1-CZ 4.47Å; Y460-F558 HydrophobicContact CE2-CE2 4.35Å; Y460-F558 HydrophobicContact CE2-CZ 4.47Å; Y460-F558 AromaticContact CG-CE2 3.67Å; Y460-F558 HydrophobicContact CG-CE2 3.67Å; Y460-F558 AromaticContact CG-CZ 3.49Å; Y460-F558 HydrophobicContact CG-CZ 3.49Å; Y460-F558 VanDerWaalsContact CG-CZ 3.49Å; Y460-I593 HydrophobicContact CD1-CD1 4.44Å; Y460-I593 HydrophobicContact CE1-CD1 4.14Å
461S87.8Confident86.3Confident0 Ų040.7 Ų40.70%019%0.186CC..Hα-helixtrans-61.2-41.8-18061.40000112.4L457 K458 Q465L457-S461 PolarHBondContact O-N 3.3Å; L457-S461 PolarHBondContact O-OG 2.97Å; K458-S461 WeakPolarHBondContact CA-OG 3.47Å; K458-S461 PolarHBondContact O-N 3.12Å; K458-S461 PolarHBondContact O-OG 2.77Å; S461-Q465 WeakPolarHBondContact O-CB 3.47Å; S461-Q465 PolarHBondContact O-N 2.81Å
462D88Confident86Confident51 Ų5132.8 Ų32.827%0.27316%0.157SC..Hα-helixtrans-62-46.4176.4-63.5-16000110.8K458 Y460 Q465 D466K458-D462 PolarHBondContact O-N 3.47Å; Y460-D462 VanDerWaalsContact C-N 3.33Å; Y460-D462 PolarHBondContact O-N 3.41Å; D462-Q465 WeakPolarHBondContact O-CB 3.26Å; D462-Q465 PolarHBondContact O-N 2.87Å; D462-D466 PolarHBondContact O-N 3.22Å; D462-D466 VanDerWaalsContact O-N 3.15Å
463C87Confident85.6Confident13 Ų1333.6 Ų33.69%0.08816%0.161CC..Hα-helixtrans-63.7-46.7179.5-70.60000112.2F392 V396 R459 Y460 Q465 D466 V467F392-C463 HydrophobicContact CB-CB 4.21Å; V396-C463 HydrophobicContact CG2-CB 3.59Å; R459-C463 WeakPolarHBondContact O-CB 3.29Å; R459-C463 PolarHBondContact O-N 2.94Å; R459-C463 VanDerWaalsContact O-N 3.1Å; R459-C463 PolarHBondContact O-SG 3.12Å; Y460-C463 PolarHBondContact O-N 2.89Å; C463-Q465 VanDerWaalsContact C-N 3.34Å; C463-D466 PolarHBondContact O-N 3.47Å; C463-V467 WeakPolarHBondContact O-CG2 3.5Å; C463-V467 PolarHBondContact O-N 2.96Å
464M85.8Confident84.9Confident5 Ų542.4 Ų42.43%0.02519%0.194CC..Hα-helixtrans-70-33.4179-69.2-53.9-69.200111.9Q428 I431 Y460 D466 V467 Y468 I593Q428-M464 HydrophobicContact CG-CE 3.94Å; I431-M464 HydrophobicContact CD1-SD 4.42Å; Y460-M464 HydrophobicContact CD1-CG 4.09Å; Y460-M464 HydrophobicContact CD2-CG 4.13Å; Y460-M464 HydrophobicContact CE1-CB 4.45Å; Y460-M464 HydrophobicContact CE1-CG 3.59Å; Y460-M464 HydrophobicContact CE2-CG 3.65Å; Y460-M464 HydrophobicContact CE2-SD 4.16Å; Y460-M464 HydrophobicContact CG-CG 4.34Å; Y460-M464 WeakPolarHBondContact O-CG 3.46Å; Y460-M464 PolarHBondContact O-N 3.45Å; M464-D466 VanDerWaalsContact C-N 3.28Å; M464-D466 PolarHBondContact O-N 3.4Å; M464-V467 PolarHBondContact O-N 2.87Å; M464-Y468 HydrophobicContact CB-CD2 4.26Å; M464-Y468 HydrophobicContact CB-CE2 4.31Å; M464-Y468 HydrophobicContact CE-CD2 4.29Å; M464-Y468 HydrophobicContact CE-CE2 3.57Å; M464-Y468 WeakPolarHBondContact O-CB 3.44Å; M464-Y468 WeakPolarHBondContact O-CD2 3.29Å; M464-Y468 PolarHBondContact O-N 3.48Å; M464-I593 HydrophobicContact CB-CG1 4.33Å; M464-I593 HydrophobicContact CB-CG2 3.99Å
465Q87.5Confident84.4Confident57 Ų5743.1 Ų43.127%0.26620%0.197SC..Hα-helixtrans-57.8-42.7172.2-176.6-176.237.200111S461 D462 C463 R469 Q592 I593 C596S461-Q465 WeakPolarHBondContact O-CB 3.47Å; S461-Q465 PolarHBondContact O-N 2.81Å; D462-Q465 WeakPolarHBondContact O-CB 3.26Å; D462-Q465 PolarHBondContact O-N 2.87Å; C463-Q465 VanDerWaalsContact C-N 3.34Å; Q465-R469 WeakPolarHBondContact O-CA 3.42Å; Q465-R469 WeakPolarHBondContact O-CB 3.43Å; Q465-R469 PolarHBondContact O-N 3.42Å; Q465-Q592 PolarHBondContact NE2-O 3.3Å; Q465-I593 WeakPolarHBondContact CA-O 3.48Å; Q465-C596 HydrophobicContact CG-CB 4.31Å
466D84.1Confident83.8Confident81 Ų8140.9 Ų40.943%0.43319%0.187SC..Hα-helixtrans-63.7-42.8176.6-75.4-30.5000112.4F400 D462 C463 M464 R469 S470F400-D466 HydrophobicContact CE2-CB 4.42Å; F400-D466 WeakPolarHBondContact CZ-O 3.43Å; D462-D466 PolarHBondContact O-N 3.22Å; D462-D466 VanDerWaalsContact O-N 3.15Å; C463-D466 PolarHBondContact O-N 3.47Å; M464-D466 VanDerWaalsContact C-N 3.28Å; M464-D466 PolarHBondContact O-N 3.4Å; D466-R469 PolarHBondContact O-N 3.26Å; D466-S470 PolarHBondContact O-N 2.91Å; D466-S470 VanDerWaalsContact O-N 3.07Å
467V82.8Confident83Confident2 Ų247.4 Ų47.41%0.01221%0.211CC..Hα-helixtrans-63-53.7177.4176.40000110.8V396 A399 C463 M464 R469 S470 Q471V396-V467 HydrophobicContact CB-CG2 4.25Å; V396-V467 HydrophobicContact CG1-CG2 4.12Å; V396-V467 HydrophobicContact CG2-CG2 3.82Å; A399-V467 HydrophobicContact CB-CG2 4.48Å; C463-V467 WeakPolarHBondContact O-CG2 3.5Å; C463-V467 PolarHBondContact O-N 2.96Å; M464-V467 PolarHBondContact O-N 2.87Å; V467-R469 VanDerWaalsContact C-N 3.32Å; V467-R469 PolarHBondContact O-N 3.1Å; V467-S470 PolarHBondContact O-N 3.24Å; V467-Q471 HydrophobicContact CG1-CG 4.47Å; V467-Q471 WeakPolarHBondContact O-CG 3.49Å; V467-Q471 PolarHBondContact O-N 3.41Å
468Y84.5Confident82.1Confident4 Ų450.5 Ų50.52%0.01622%0.224CC..Hα-helixtrans-64.6-36.6179.4-76.5-61.7000111.8M464 S470 Q471 I472 E550 I593 F594M464-Y468 HydrophobicContact CB-CD2 4.26Å; M464-Y468 HydrophobicContact CB-CE2 4.31Å; M464-Y468 HydrophobicContact CE-CD2 4.29Å; M464-Y468 HydrophobicContact CE-CE2 3.57Å; M464-Y468 WeakPolarHBondContact O-CB 3.44Å; M464-Y468 WeakPolarHBondContact O-CD2 3.29Å; M464-Y468 PolarHBondContact O-N 3.48Å; Y468-S470 VanDerWaalsContact C-N 3.31Å; Y468-S470 PolarHBondContact O-N 3.48Å; Y468-Q471 PolarHBondContact O-N 2.97Å; Y468-I472 WeakPolarHBondContact O-CB 3.24Å; Y468-I472 WeakPolarHBondContact O-CG1 3.35Å; Y468-I472 PolarHBondContact O-N 3.03Å; Y468-E550 HydrophobicContact CE2-CG 4.17Å; Y468-E550 WeakPolarHBondContact CE2-OE2 3.31Å; Y468-E550 PolarHBondContact OH-OE2 2.89Å; Y468-I593 HydrophobicContact CD2-CG2 3.39Å; Y468-I593 HydrophobicContact CE2-CG2 3.67Å; Y468-I593 HydrophobicContact CG-CG2 4.5Å; Y468-F594 AromaticContact CD1-CE1 3.81Å; Y468-F594 HydrophobicContact CD1-CE1 3.81Å; Y468-F594 HydrophobicContact CD1-CZ 4.35Å; Y468-F594 AromaticContact CD2-CE1 3.99Å; Y468-F594 HydrophobicContact CD2-CE1 3.99Å; Y468-F594 HydrophobicContact CD2-CZ 4.12Å; Y468-F594 HydrophobicContact CE1-CE1 4.01Å; Y468-F594 HydrophobicContact CE1-CZ 4.13Å; Y468-F594 HydrophobicContact CE2-CE1 4.17Å; Y468-F594 AromaticContact CE2-CZ 3.87Å; Y468-F594 HydrophobicContact CE2-CZ 3.87Å; Y468-F594 HydrophobicContact CG-CD1 4.42Å; Y468-F594 AromaticContact CG-CE1 3.81Å; Y468-F594 HydrophobicContact CG-CE1 3.81Å; Y468-F594 HydrophobicContact CG-CZ 4.36Å; Y468-F594 AromaticContact CZ-CZ 3.88Å
469R84Confident81.2Confident119 Ų11947.3 Ų47.345%0.44921%0.211SC..Hα-helixtrans-57.4-46.8174.2-179.6174.2-177.8-112.1-3.3111Q465 D466 V467 S473 C596 I600Q465-R469 WeakPolarHBondContact O-CA 3.42Å; Q465-R469 WeakPolarHBondContact O-CB 3.43Å; Q465-R469 PolarHBondContact O-N 3.42Å; D466-R469 PolarHBondContact O-N 3.26Å; V467-R469 VanDerWaalsContact C-N 3.32Å; V467-R469 PolarHBondContact O-N 3.1Å; R469-S473 WeakPolarHBondContact O-CB 3.32Å; R469-S473 PolarHBondContact O-N 3.43Å; R469-S473 PolarHBondContact O-OG 3.17Å; R469-C596 HydrophobicContact CB-CB 3.7Å; R469-C596 HydrophobicContact CG-CB 3.96Å; R469-I600 HydrophobicContact CG-CD1 4.31Å
470S78.6Confident80.2Confident52 Ų5242.4 Ų42.436%0.36420%0.195SC..Hα-helixtrans-64.9-48.8178.7-175.60000112.3F400 D466 V467 Y468 S473 R474F400-S470 WeakPolarHBondContact CE1-OG 3.39Å; F400-S470 VanDerWaalsContact CZ-CB 3.43Å; D466-S470 PolarHBondContact O-N 2.91Å; D466-S470 VanDerWaalsContact O-N 3.07Å; V467-S470 PolarHBondContact O-N 3.24Å; Y468-S470 VanDerWaalsContact C-N 3.31Å; Y468-S470 PolarHBondContact O-N 3.48Å; S470-S473 PolarHBondContact O-N 3.44Å; S470-R474 PolarHBondContact O-N 3.05Å
471Q79.6Confident79.1Confident25 Ų2547 Ų4712%0.11722%0.22CC..Hα-helixtrans-65.6-48.9-178.2-68.4-178.9-3.400112.2P426 Q428 V467 Y468 S473 R474 F475P426-Q471 HydrophobicContact CG-CG 4.12Å; Q428-Q471 VanDerWaalsContact NE2-OE1 3.11Å; V467-Q471 HydrophobicContact CG1-CG 4.47Å; V467-Q471 WeakPolarHBondContact O-CG 3.49Å; V467-Q471 PolarHBondContact O-N 3.41Å; Y468-Q471 PolarHBondContact O-N 2.97Å; Q471-S473 VanDerWaalsContact C-N 3.34Å; Q471-S473 PolarHBondContact O-N 3.44Å; Q471-R474 PolarHBondContact O-N 3.23Å; Q471-F475 WeakPolarHBondContact O-CB 3.23Å; Q471-F475 PolarHBondContact O-N 3.03Å
472I79.4Confident78.1Confident1 Ų148.7 Ų48.71%0.00523%0.232CC..Hα-helixtrans-65-39.5178.3-63.3170.8000110L425 Y468 R474 F475 V476 F594 I597 I600L425-I472 HydrophobicContact CD2-CG1 3.92Å; Y468-I472 WeakPolarHBondContact O-CB 3.24Å; Y468-I472 WeakPolarHBondContact O-CG1 3.35Å; Y468-I472 PolarHBondContact O-N 3.03Å; I472-R474 VanDerWaalsContact C-N 3.31Å; I472-R474 PolarHBondContact O-N 3.42Å; I472-F475 PolarHBondContact O-N 3.45Å; I472-V476 HydrophobicContact CG2-CG2 3.91Å; I472-V476 WeakPolarHBondContact O-CB 3.39Å; I472-V476 VanDerWaalsContact O-CG2 3.28Å; I472-V476 WeakPolarHBondContact O-CG2 3.48Å; I472-V476 PolarHBondContact O-N 2.93Å; I472-F594 HydrophobicContact CD1-CD1 4.23Å; I472-F594 HydrophobicContact CD1-CE1 4.47Å; I472-I597 HydrophobicContact CD1-CD1 4.03Å; I472-I597 HydrophobicContact CD1-CG1 3.73Å; I472-I600 HydrophobicContact CB-CD1 3.92Å; I472-I600 HydrophobicContact CG2-CD1 3.82Å; I472-I600 HydrophobicContact CG2-CG2 4.34Å
473S78.7Confident76.9Confident25 Ų2546.7 Ų46.718%0.17522%0.221CC..Hα-helixtrans-61.7-40.1175.1-630000111.9R469 S470 Q471 R477 I600R469-S473 WeakPolarHBondContact O-CB 3.32Å; R469-S473 PolarHBondContact O-N 3.43Å; R469-S473 PolarHBondContact O-OG 3.17Å; S470-S473 PolarHBondContact O-N 3.44Å; Q471-S473 VanDerWaalsContact C-N 3.34Å; Q471-S473 PolarHBondContact O-N 3.44Å; S473-R477 VanDerWaalsContact O-CB 3.27Å; S473-R477 WeakPolarHBondContact O-CB 3.46Å; S473-R477 PolarHBondContact O-N 2.78Å; S473-I600 WeakPolarHBondContact OG-CD1 3.43Å; S473-I600 WeakPolarHBondContact OG-CG1 3.36Å
474R74.5Confident75.7Confident189 Ų18948.6 Ų48.671%0.71324%0.235SC*.Hα-helixtrans-66.7-42.8175.5-174.9176.5-178.5165.2-0.9111.6S470 Q471 I472 R477 F478S470-R474 PolarHBondContact O-N 3.05Å; Q471-R474 PolarHBondContact O-N 3.23Å; I472-R474 VanDerWaalsContact C-N 3.31Å; I472-R474 PolarHBondContact O-N 3.42Å; R474-R477 PolarHBondContact O-N 3.34Å; R474-F478 PolarHBondContact O-N 3.17Å
475F76.3Confident74.3Confident17 Ų1755.8 Ų55.88%0.07527%0.268CS..Hα-helixtrans-63.8-49.4177.6-178.6-115.3000112.1D423 L425 Q471 I472 R477 F478 L479 A539 E542D423-F475 WeakPolarHBondContact O-CE2 3.45Å; L425-F475 HydrophobicContact CD1-CB 4.17Å; L425-F475 HydrophobicContact CD1-CD1 3.5Å; L425-F475 VanDerWaalsContact CD1-CD1 3.5Å; L425-F475 HydrophobicContact CD1-CD2 3.85Å; L425-F475 HydrophobicContact CD1-CE1 3.63Å; L425-F475 HydrophobicContact CD1-CE2 4.02Å; L425-F475 HydrophobicContact CD1-CG 3.58Å; L425-F475 HydrophobicContact CD1-CZ 3.9Å; Q471-F475 WeakPolarHBondContact O-CB 3.23Å; Q471-F475 PolarHBondContact O-N 3.03Å; I472-F475 PolarHBondContact O-N 3.45Å; F475-R477 VanDerWaalsContact C-N 3.32Å; F475-R477 PolarHBondContact O-N 3.05Å; F475-F478 WeakPolarHBondContact O-CB 3.39Å; F475-F478 PolarHBondContact O-N 3.02Å; F475-F478 VanDerWaalsContact O-N 3.15Å; F475-L479 HydrophobicContact CD1-CD1 3.64Å; F475-L479 HydrophobicContact CD1-CG 4.42Å; F475-L479 HydrophobicContact CD2-CD1 4.49Å; F475-L479 HydrophobicContact CE1-CD1 3.3Å; F475-L479 HydrophobicContact CE1-CG 4.23Å; F475-L479 HydrophobicContact CE2-CD1 4.18Å; F475-L479 HydrophobicContact CE2-CD2 4.44Å; F475-L479 HydrophobicContact CE2-CG 4.26Å; F475-L479 HydrophobicContact CG-CD1 4.26Å; F475-L479 HydrophobicContact CZ-CD1 3.6Å; F475-L479 HydrophobicContact CZ-CD2 4.31Å; F475-L479 HydrophobicContact CZ-CG 4.14Å; F475-L479 WeakPolarHBondContact O-CG 3.45Å; F475-L479 PolarHBondContact O-N 2.98Å; F475-A539 HydrophobicContact CE1-CB 3.88Å; F475-A539 HydrophobicContact CZ-CB 4.18Å; F475-E542 HydrophobicContact CZ-CB 4.29Å; F475-E542 HydrophobicContact CZ-CG 4.45Å
476V76Confident72.8Confident11 Ų1154.2 Ų54.27%0.06727%0.265CS..Hα-helixtrans-63.3-36.7177.4172.20000111.3I472 L479 G480 I600 F604I472-V476 HydrophobicContact CG2-CG2 3.91Å; I472-V476 WeakPolarHBondContact O-CB 3.39Å; I472-V476 VanDerWaalsContact O-CG2 3.28Å; I472-V476 WeakPolarHBondContact O-CG2 3.48Å; I472-V476 PolarHBondContact O-N 2.93Å; V476-L479 PolarHBondContact O-N 3.45Å; V476-G480 WeakPolarHBondContact O-CA 3.41Å; V476-G480 PolarHBondContact O-N 2.88Å; V476-I600 HydrophobicContact CB-CG2 3.93Å; V476-I600 HydrophobicContact CG1-CG2 4.06Å; V476-I600 HydrophobicContact CG2-CG2 3.87Å; V476-F604 HydrophobicContact CG1-CB 3.74Å; V476-F604 HydrophobicContact CG1-CD2 3.81Å; V476-F604 HydrophobicContact CG1-CG 3.78Å
477R72.5Confident71.4Confident136 Ų13651.4 Ų51.451%0.51325%0.249SC..Hα-helixtrans-64.8-40.8173.9-167.3-174.2-47.1107.88.9112.1S473 R474 F475 G480 N481S473-R477 VanDerWaalsContact O-CB 3.27Å; S473-R477 WeakPolarHBondContact O-CB 3.46Å; S473-R477 PolarHBondContact O-N 2.78Å; R474-R477 PolarHBondContact O-N 3.34Å; F475-R477 VanDerWaalsContact C-N 3.32Å; F475-R477 PolarHBondContact O-N 3.05Å; R477-G480 PolarHBondContact O-N 3.36Å; R477-N481 PolarHBondContact O-N 3.43Å
478F69.2Low69.8Low71 Ų7154.8 Ų54.831%0.31127%0.271SS..Hα-helixtrans-65.7-46.6176176.3-90.7000111.8I421 D423 R474 F475 G480 N481 S482I421-F478 HydrophobicContact CG2-CD2 4.45Å; I421-F478 HydrophobicContact CG2-CE2 3.87Å; I421-F478 HydrophobicContact CG2-CZ 4.38Å; D423-F478 WeakPolarHBondContact OD1-CE1 3.35Å; R474-F478 PolarHBondContact O-N 3.17Å; F475-F478 WeakPolarHBondContact O-CB 3.39Å; F475-F478 PolarHBondContact O-N 3.02Å; F475-F478 VanDerWaalsContact O-N 3.15Å; F478-G480 VanDerWaalsContact C-N 3.26Å; F478-G480 PolarHBondContact O-N 3.44Å; F478-N481 WeakPolarHBondContact O-CB 3.48Å; F478-N481 PolarHBondContact O-N 3.47Å; F478-S482 PolarHBondContact O-N 3.15Å; F478-S482 PolarHBondContact O-OG 3.01Å
479L69.6Low67.8Low22 Ų2256.2 Ų56.212%0.11528%0.281CS..Hα-helixtrans-60.7-39.2172.1-68.8174.5000111F475 V476 N481 S482 V483 L535 A539F475-L479 HydrophobicContact CD1-CD1 3.64Å; F475-L479 HydrophobicContact CD1-CG 4.42Å; F475-L479 HydrophobicContact CD2-CD1 4.49Å; F475-L479 HydrophobicContact CE1-CD1 3.3Å; F475-L479 HydrophobicContact CE1-CG 4.23Å; F475-L479 HydrophobicContact CE2-CD1 4.18Å; F475-L479 HydrophobicContact CE2-CD2 4.44Å; F475-L479 HydrophobicContact CE2-CG 4.26Å; F475-L479 HydrophobicContact CG-CD1 4.26Å; F475-L479 HydrophobicContact CZ-CD1 3.6Å; F475-L479 HydrophobicContact CZ-CD2 4.31Å; F475-L479 HydrophobicContact CZ-CG 4.14Å; F475-L479 WeakPolarHBondContact O-CG 3.45Å; F475-L479 PolarHBondContact O-N 2.98Å; V476-L479 PolarHBondContact O-N 3.45Å; L479-N481 VanDerWaalsContact C-N 3.31Å; L479-N481 PolarHBondContact O-N 2.89Å; L479-S482 CarbonylContact O-C 3.57Å; L479-S482 WeakPolarHBondContact O-CA 3.18Å; L479-S482 WeakPolarHBondContact O-CB 3.28Å; L479-S482 PolarHBondContact O-N 3.36Å; L479-V483 VanDerWaalsContact O-CG2 3.31Å; L479-V483 WeakPolarHBondContact O-CG2 3.11Å; L479-V483 PolarHBondContact O-N 3.08Å; L479-L535 HydrophobicContact CB-CD2 4.35Å; L479-L535 HydrophobicContact CD2-CD1 4.14Å; L479-L535 HydrophobicContact CD2-CD2 3.86Å; L479-L535 HydrophobicContact CD2-CG 3.81Å; L479-A539 HydrophobicContact CD1-CB 3.33Å
480G67.7Low65.7Low7 Ų752 Ų527%0.07227%0.269CS..Hα-helixtrans-61.2-37.7178.400000113.2V476 R477 F478 V483 S484V476-G480 WeakPolarHBondContact O-CA 3.41Å; V476-G480 PolarHBondContact O-N 2.88Å; R477-G480 PolarHBondContact O-N 3.36Å; F478-G480 VanDerWaalsContact C-N 3.26Å; F478-G480 PolarHBondContact O-N 3.44Å; G480-V483 PolarHBondContact O-N 3.44Å; G480-S484 VanDerWaalsContact O-CB 3.3Å; G480-S484 WeakPolarHBondContact O-CB 3.44Å; G480-S484 PolarHBondContact O-N 2.98Å; G480-S484 PolarHBondContact O-OG 3.37Å
481N67.2Low63.4Low99 Ų9960.6 Ų60.653%0.52929%0.294SS..Hα-helixtrans-63.8-41.7170.4-67.7-15.8000111.5R477 F478 L479 S484 Q485R477-N481 PolarHBondContact O-N 3.43Å; F478-N481 WeakPolarHBondContact O-CB 3.48Å; F478-N481 PolarHBondContact O-N 3.47Å; L479-N481 VanDerWaalsContact C-N 3.31Å; L479-N481 PolarHBondContact O-N 2.89Å; N481-S484 PolarHBondContact O-N 3.19Å; N481-Q485 WeakPolarHBondContact O-CG 3.49Å; N481-Q485 PolarHBondContact O-N 2.95Å; N481-Q485 VanDerWaalsContact O-N 3.12Å
482S66Low61.2Low35 Ų3561.4 Ų61.425%0.24531%0.309CS..Hα-helixtrans-68.3-39.8177.5-55.90000112.3F478 L479 Q485 A486F478-S482 PolarHBondContact O-N 3.15Å; F478-S482 PolarHBondContact O-OG 3.01Å; L479-S482 CarbonylContact O-C 3.57Å; L479-S482 WeakPolarHBondContact O-CA 3.18Å; L479-S482 WeakPolarHBondContact O-CB 3.28Å; L479-S482 PolarHBondContact O-N 3.36Å; S482-Q485 WeakPolarHBondContact O-CB 3.33Å; S482-Q485 PolarHBondContact O-N 2.86Å; S482-A486 PolarHBondContact O-N 3.42Å
483V64.5Low59.1Low9 Ų965.9 Ų65.96%0.05533%0.332CS..Hα-helixtrans-64.9-41.4174.7170.60000110.6L479 G480 Q485 A486 F487 F532 L535 F604 L627L479-V483 VanDerWaalsContact O-CG2 3.31Å; L479-V483 WeakPolarHBondContact O-CG2 3.11Å; L479-V483 PolarHBondContact O-N 3.08Å; G480-V483 PolarHBondContact O-N 3.44Å; V483-Q485 PolarHBondContact O-N 3.35Å; V483-A486 PolarHBondContact O-N 3.32Å; V483-F487 HydrophobicContact CG1-CD2 4.23Å; V483-F487 WeakPolarHBondContact O-CB 3.08Å; V483-F487 PolarHBondContact O-N 2.86Å; V483-F532 HydrophobicContact CB-CE2 4.44Å; V483-F532 HydrophobicContact CG1-CE2 3.84Å; V483-F532 HydrophobicContact CG2-CD2 4.24Å; V483-F532 HydrophobicContact CG2-CE2 3.83Å; V483-L535 HydrophobicContact CG2-CD2 3.49Å; V483-L535 VanDerWaalsContact CG2-CD2 3.49Å; V483-F604 HydrophobicContact CG1-CZ 4.37Å; V483-L627 HydrophobicContact CG1-CD1 3.42Å; V483-L627 VanDerWaalsContact CG1-CD1 3.42Å
484S60.5Low56.7Low53 Ų5367.8 Ų67.837%0.37134%0.34SS..Hα-helixtrans-65.6-28.1176.8-61.30000112.5G480 N481 F487G480-S484 VanDerWaalsContact O-CB 3.3Å; G480-S484 WeakPolarHBondContact O-CB 3.44Å; G480-S484 PolarHBondContact O-N 2.98Å; G480-S484 PolarHBondContact O-OG 3.37Å; N481-S484 PolarHBondContact O-N 3.19Å; S484-F487 CarbonylContact O-C 3.57Å
485Q57.8Low54.4Low156 Ų15662.1 Ų62.173%0.72933%0.329SS*.Hα-helixtrans-76.5-39171.3-71.2178.914.900112.5N481 S482 V483 F487 P488N481-Q485 WeakPolarHBondContact O-CG 3.49Å; N481-Q485 PolarHBondContact O-N 2.95Å; N481-Q485 VanDerWaalsContact O-N 3.12Å; S482-Q485 WeakPolarHBondContact O-CB 3.33Å; S482-Q485 PolarHBondContact O-N 2.86Å; V483-Q485 PolarHBondContact O-N 3.35Å; Q485-F487 VanDerWaalsContact C-N 3.35Å; Q485-P488 WeakPolarHBondContact O-CD 3.5Å
486A55.4Low52.2Low24 Ų2464.7 Ų64.720%0.19835%0.354CS..Hα-helixtrans-71.6-28.4176.100000112.9S482 V483 P488S482-A486 PolarHBondContact O-N 3.42Å; V483-A486 PolarHBondContact O-N 3.32Å; A486-P488 VanDerWaalsContact O-CD 3.27Å; A486-P488 WeakPolarHBondContact O-CD 3.3Å
487F54.5Low50.1Low23 Ų2368.9 Ų68.910%0.10138%0.384CS..SBendtrans-115.868.5174.8-70.5-104.8000110V483 S484 Q485 L524 F532 R626 Y630V483-F487 HydrophobicContact CG1-CD2 4.23Å; V483-F487 WeakPolarHBondContact O-CB 3.08Å; V483-F487 PolarHBondContact O-N 2.86Å; S484-F487 CarbonylContact O-C 3.57Å; Q485-F487 VanDerWaalsContact C-N 3.35Å; F487-L524 HydrophobicContact CD1-CD1 4.24Å; F487-L524 HydrophobicContact CD1-CD2 4.42Å; F487-L524 HydrophobicContact CE1-CD1 3.47Å; F487-L524 VanDerWaalsContact CE1-CD1 3.47Å; F487-L524 HydrophobicContact CE1-CD2 4.4Å; F487-L524 HydrophobicContact CE1-CG 4.47Å; F487-L524 HydrophobicContact CE2-CD1 4.43Å; F487-L524 HydrophobicContact CZ-CD1 3.57Å; F487-F532 HydrophobicContact CD2-CD2 4.09Å; F487-F532 HydrophobicContact CD2-CE2 4.2Å; F487-F532 HydrophobicContact CE2-CB 3.93Å; F487-F532 AromaticContact CE2-CD1 3.85Å; F487-F532 HydrophobicContact CE2-CD1 3.85Å; F487-F532 AromaticContact CE2-CD2 3.29Å; F487-F532 HydrophobicContact CE2-CD2 3.29Å; F487-F532 HydrophobicContact CE2-CE1 4.07Å; F487-F532 AromaticContact CE2-CE2 3.54Å; F487-F532 HydrophobicContact CE2-CE2 3.54Å; F487-F532 AromaticContact CE2-CG 3.41Å; F487-F532 HydrophobicContact CE2-CG 3.41Å; F487-F532 VanDerWaalsContact CE2-CG 3.41Å; F487-F532 AromaticContact CE2-CZ 3.9Å; F487-F532 HydrophobicContact CE2-CZ 3.9Å; F487-F532 HydrophobicContact CZ-CB 4.48Å; F487-F532 AromaticContact CZ-CD1 3.85Å; F487-F532 HydrophobicContact CZ-CD1 3.85Å; F487-F532 HydrophobicContact CZ-CD2 4.12Å; F487-F532 AromaticContact CZ-CE1 3.95Å; F487-F532 HydrophobicContact CZ-CE1 3.95Å; F487-F532 HydrophobicContact CZ-CE2 4.2Å; F487-F532 AromaticContact CZ-CG 3.9Å; F487-F532 HydrophobicContact CZ-CG 3.9Å; F487-F532 HydrophobicContact CZ-CZ 4.09Å; F487-R626 HydrophobicContact CD1-CB 4.34Å; F487-R626 HydrophobicContact CE1-CB 4.05Å; F487-Y630 HydrophobicContact CE1-CD2 4.04Å; F487-Y630 HydrophobicContact CZ-CD2 4.09Å; F487-Y630 HydrophobicContact CZ-CG 4.36Å
488P48.5Very low48Very low72 Ų7267.6 Ų67.647%0.46838%0.383SS..  trans-59.8135.5178.424.6-31000109.3Q485 A486 S490Q485-P488 WeakPolarHBondContact O-CD 3.5Å; A486-P488 VanDerWaalsContact O-CD 3.27Å; A486-P488 WeakPolarHBondContact O-CD 3.3Å; P488-S490 PolarHBondContact O-N 2.75Å; P488-S490 VanDerWaalsContact O-N 3.13Å
489P44Very low46.1Very low35 Ų3568.2 Ų68.223%0.22739%0.393CS..  trans-56.1126.6169.923.5-31.5000106.8R491 L615P489-R491 PolarHBondContact O-N 3.29Å; P489-L615 HydrophobicContact CB-CD1 3.71Å; P489-L615 HydrophobicContact CG-CD1 3.76Å
490S38.9Very low44.2Very low29 Ų2975.3 Ų75.320%0.20342%0.423CS..  trans-51.1104.2-171.2-64.70000110.9P488 G492 Q720P488-S490 PolarHBondContact O-N 2.75Å; P488-S490 VanDerWaalsContact O-N 3.13Å; S490-G492 PolarHBondContact O-N 3.09Å; S490-Q720 PolarHBondContact OG-NE2 2.62Å
491R31.3Very low42.3Very low234 Ų23480 Ų8088%0.88344%0.443SS*.  trans-75.790.2178.4-73.3-172.4178.9-169.81107.7P489P489-R491 PolarHBondContact O-N 3.29Å
492G33.2Very low40.6Very low42 Ų4278 Ų7843%0.43344%0.435SS..  trans170.576.6175.400000111.6S490S490-G492 PolarHBondContact O-N 3.09Å
493L34Very low38.8Very low94 Ų9481.7 Ų81.749%0.49245%0.449SS..  trans-119.7116.3173.4-109.2160.7000110.4I619L493-I619 HydrophobicContact CD1-CD1 3.97Å; L493-I619 HydrophobicContact CD2-CD1 3.65Å; L493-I619 HydrophobicContact CG-CD1 3.77Å
494I28.3Very low37Very low65 Ų6587.9 Ų87.933%0.33348%0.475SS..  trans-49.5128.9167.7-59.7162.3000109.4E498 T499 V502 L717I494-E498 HydrophobicContact CG2-CB 4.05Å; I494-T499 HydrophobicContact CG2-CG2 4.43Å; I494-V502 HydrophobicContact CD1-CG2 4.44Å; I494-L717 HydrophobicContact CD1-CD2 3.63Å; I494-L717 HydrophobicContact CG1-CD2 4.04Å
495S26.4Very low35.4Very low71 Ų7189.6 Ų89.650%0.49748%0.48SS..  trans-67.7144.1168.7176.60000109.7S497 E498S495-S497 PolarHBondContact O-N 2.93Å; S495-E498 PolarHBondContact O-N 3.26Å
496A31.8Very low34Very low71 Ų7184.9 Ų84.959%0.58746%0.461SS*.THydrogen-bonded Turntrans-56.4-19.5-177.400000113.8T499A496-T499 PolarHBondContact O-OG1 3.36Å; A496-T499 VanDerWaalsContact O-OG1 3.08Å
497S30.9Very low32.7Very low99 Ų9991.4 Ų91.469%0.69248%0.481SS*.THydrogen-bonded Turntrans-73.7-25.8175-1700000113.9S495S495-S497 PolarHBondContact O-N 2.93Å
498E28.6Very low31.3Very low108 Ų10894.6 Ų94.651%0.50551%0.506SS..THydrogen-bonded Turntrans-95.3-2-172.1-71.3172165.400113.4I494 S495 K500 E501 V502I494-E498 HydrophobicContact CG2-CB 4.05Å; S495-E498 PolarHBondContact O-N 3.26Å; E498-K500 PolarHBondContact O-N 2.85Å; E498-E501 PolarHBondContact O-N 2.9Å; E498-V502 WeakPolarHBondContact O-CG2 3.46Å; E498-V502 PolarHBondContact O-N 3.14Å
499T28.2Very low30.5Very low84 Ų8497.7 Ų97.752%0.51552%0.523SS..Hα-helixtrans-57.9-29.3171.5520000112.4I494 A496 M503I494-T499 HydrophobicContact CG2-CG2 4.43Å; A496-T499 PolarHBondContact O-OG1 3.36Å; A496-T499 VanDerWaalsContact O-OG1 3.08Å; T499-M503 PolarHBondContact O-N 3.45Å
500K30.7Very low30.2Very low171 Ų171100.9 Ų100.974%0.74354%0.544SS*.Hα-helixtrans-73.8-33.8172.7-80-174.4175.7-179.90113.8E498 K504E498-K500 PolarHBondContact O-N 2.85Å; K500-K504 PolarHBondContact O-N 3.25Å
501E28.1Very low29.6Very low105 Ų105103.2 Ų103.249%0.49157%0.573SS.*Hα-helixtrans-75-39.1177.9-80.4-82.4129.900110.9E498 M503 K504 L505E498-E501 PolarHBondContact O-N 2.9Å; E501-M503 PolarHBondContact O-N 3.13Å; E501-K504 PolarHBondContact O-N 3.42Å; E501-L505 PolarHBondContact O-N 2.98Å
502V30.5Very low29.3Very low59 Ų5997.5 Ų97.536%0.35857%0.568SS.*Hα-helixtrans-59.5-37.5172.91760000110.9I494 E498 K504 L505 V506I494-V502 HydrophobicContact CD1-CG2 4.44Å; E498-V502 WeakPolarHBondContact O-CG2 3.46Å; E498-V502 PolarHBondContact O-N 3.14Å; V502-K504 VanDerWaalsContact C-N 3.31Å; V502-K504 PolarHBondContact O-N 3.07Å; V502-L505 PolarHBondContact O-N 3.5Å; V502-V506 WeakPolarHBondContact O-CG2 3.16Å; V502-V506 PolarHBondContact O-N 3.29Å
503M27.8Very low28.8Very low111 Ų111102.7 Ų102.755%0.54759%0.586SS.*Hα-helixtrans-69.8-21.4173.9-116165.4-167.700114.4T499 E501T499-M503 PolarHBondContact O-N 3.45Å; E501-M503 PolarHBondContact O-N 3.13Å
504K28.3Very low28.3Very low139 Ų139104.4 Ų104.460%0.60460%0.6SS**Hα-helixtrans-85.2-34.3173.8-79.4-176176.9179.30112.6K500 E501 V502 R507K500-K504 PolarHBondContact O-N 3.25Å; E501-K504 PolarHBondContact O-N 3.42Å; V502-K504 VanDerWaalsContact C-N 3.31Å; V502-K504 PolarHBondContact O-N 3.07Å; K504-R507 WeakPolarHBondContact O-CG 3.46Å
505L25.8Very low28.1Very low89 Ų89110 Ų11047%0.46663%0.627SS.*Hα-helixtrans-82.4-12.5-177.9-91.5147.4000114.4E501 V502 R507 F710E501-L505 PolarHBondContact O-N 2.98Å; V502-L505 PolarHBondContact O-N 3.5Å; L505-R507 PolarHBondContact O-N 3.22Å; L505-F710 HydrophobicContact CD1-CZ 4.17Å; L505-F710 HydrophobicContact CD2-CE1 4.32Å; L505-F710 HydrophobicContact CD2-CZ 3.79Å; L505-F710 HydrophobicContact CG-CZ 4.41Å
506V29.1Very low28Very low57 Ų57113.3 Ų113.335%0.34564%0.639SS.*THydrogen-bonded Turntrans-65.3-11.5170.7163.50000113.1V502 R706V502-V506 WeakPolarHBondContact O-CG2 3.16Å; V502-V506 PolarHBondContact O-N 3.29Å; V506-R706 PolarHBondContact O-NH2 3.09Å
507R28.6Very low27.8Very low162 Ų162118 Ų11861%0.61165%0.654SS**THydrogen-bonded Turntrans-87.1-2.9-165.3-56.6-168-171.5-172.7-4.4118.3K504 L505 E880K504-R507 WeakPolarHBondContact O-CG 3.46Å; L505-R507 PolarHBondContact O-N 3.22Å; R507-E880 VanDerWaalsContact CA-OE2 3.24Å; R507-E880 WeakPolarHBondContact CA-OE2 3.37Å; R507-E880 VanDerWaalsContact CD-OE1 3.3Å; R507-E880 WeakPolarHBondContact CD-OE1 3.44Å; R507-E880 VanDerWaalsContact CG-OE1 3.28Å; R507-E880 WeakPolarHBondContact CG-OE1 3.29Å; R507-E880 WeakPolarHBondContact CG-OE2 3.21Å; R507-E880 IonicContact NE-OE1 3.62Å
508S25Very low27.5Very low89 Ų89119.1 Ų119.162%0.62266%0.657SS**  trans-137.5115.9-166.469.20000116.9
509V31.1Very low27.3Very low138 Ų138121.2 Ų121.284%0.83666%0.66SS**  trans99.9126.3146.6-166.10000119.6
510P37.3Very low27.3Very low102 Ų102121.5 Ų121.566%0.66267%0.666SS**  trans-109.8169.1-179.541.4-31000115.3
511G26.7Very low27.4Very low78 Ų78116.8 Ų116.880%0.80467%0.666SS**  trans131.7121.3153.700000118.8
512S24Very low28.2Very low113 Ų113113.4 Ų113.479%0.7965%0.654SS**  trans20.8102.9155.3-149.20000119.8
513L23.9Very low29Very low152 Ų152113.9 Ų113.980%0.79666%0.656SS**  77.58879.8-67.1179.2000116.4
514T23.3Very low30.1Very low129 Ų129109.6 Ų109.679%0.79164%0.636SS**  trans-132.6139.1137.7510000109.2D516T514-D516 PolarHBondContact O-N 2.86Å
515M24.2Very low31.4Very low184 Ų184105.2 Ų105.291%0.90662%0.623SS**  trans-76.8105.7-175.6-67.6-77.4-144.800109.1
516D23.1Very low33.1Very low139 Ų139104.9 Ų104.974%0.74363%0.633SS**  trans-134.1138.1163.9-99.3-30.1000111.9T514 T518T514-D516 PolarHBondContact O-N 2.86Å; D516-T518 VanDerWaalsContact C-N 3.31Å; D516-T518 PolarHBondContact O-N 3.25Å
517N27.9Very low34.8Very low169 Ų169106.8 Ų106.890%0.90464%0.641SS**  trans-88.936-145.7-136.45.9000114.2
518T25Very low36.6Very low123 Ų123102 Ų10276%0.75563%0.627SS**  trans-112.862.1-169.8-3.40000112.5D516D516-T518 VanDerWaalsContact C-N 3.31Å; D516-T518 PolarHBondContact O-N 3.25Å
519W25.6Very low38.5Very low152 Ų15299.3 Ų99.358%0.57661%0.605SS**  trans-128.167.5171.6-86.257.2000110.1K707W519-K707 HydrophobicContact CH2-CB 4.11Å; W519-K707 HydrophobicContact CH2-CG 3.69Å; W519-K707 HydrophobicContact CZ2-CB 4.23Å; W519-K707 HydrophobicContact CZ2-CD 4.37Å; W519-K707 HydrophobicContact CZ2-CG 3.32Å
520S28.3Very low40.3Very low91 Ų9194.6 Ų94.664%0.63658%0.58SS**  trans-108.416.1-178.470.90000114.7S522S520-S522 PolarHBondContact O-N 3.2Å
521G32.1Very low41.8Very low71 Ų7193.1 Ų93.173%0.73257%0.567SS**SBendtrans-87.75.7-167.100000118.3
522S45.5Very low43.9Very low35 Ų3589.4 Ų89.425%0.24553%0.529CS..SBendtrans-155-21.6179-175.70000116.2S520 V718S520-S522 PolarHBondContact O-N 3.2Å; S522-V718 WeakPolarHBondContact OG-CG1 3.2Å
523V47.6Very low46.2Very low68 Ų6886.1 Ų86.141%0.41250%0.5SS..SBendtrans-73128.9159.1-178.70000104.8S525V523-S525 PolarHBondContact O-N 3.48Å; V523-S525 VanDerWaalsContact O-N 3.11Å
524L49.4Very low48.5Very low21 Ų2185 Ų8511%0.1149%0.491CS..  trans-41.7126.2170.8-73.5167000107.9F487 A526 D528 K529 Y630F487-L524 HydrophobicContact CD1-CD1 4.24Å; F487-L524 HydrophobicContact CD1-CD2 4.42Å; F487-L524 HydrophobicContact CE1-CD1 3.47Å; F487-L524 VanDerWaalsContact CE1-CD1 3.47Å; F487-L524 HydrophobicContact CE1-CD2 4.4Å; F487-L524 HydrophobicContact CE1-CG 4.47Å; F487-L524 HydrophobicContact CE2-CD1 4.43Å; F487-L524 HydrophobicContact CZ-CD1 3.57Å; L524-A526 PolarHBondContact O-N 3.44Å; L524-D528 HydrophobicContact CB-CB 4.26Å; L524-D528 HydrophobicContact CD2-CB 4.09Å; L524-K529 HydrophobicContact CB-CD 4.47Å; L524-K529 HydrophobicContact CB-CG 3.57Å; L524-K529 HydrophobicContact CD1-CG 4.25Å; L524-K529 WeakPolarHBondContact O-CE 3.1Å; L524-Y630 HydrophobicContact CD1-CD2 4.06Å; L524-Y630 HydrophobicContact CD1-CE1 4.46Å; L524-Y630 HydrophobicContact CD1-CE2 3.57Å
525S56.5Low50.9Low48 Ų4880.9 Ų80.934%0.33646%0.464SS..  trans-51.1146.7177.2177.30000108V523 N527 D528 K529V523-S525 PolarHBondContact O-N 3.48Å; V523-S525 VanDerWaalsContact O-N 3.11Å; S525-N527 CarbonylContact O-C 3.59Å; S525-N527 PolarHBondContact O-N 2.79Å; S525-N527 PolarHBondContact OG-N 3.01Å; S525-D528 WeakPolarHBondContact CB-OD2 3.38Å; S525-D528 PolarHBondContact N-OD2 3.42Å; S525-D528 VanDerWaalsContact N-OD2 3.14Å; S525-D528 PolarHBondContact O-N 3.21Å; S525-K529 PolarHBondContact O-N 2.8Å
526A62.2Low53.4Low82 Ų8272.4 Ų72.468%0.67842%0.422SS*.Hα-helixtrans-50.7-32.1173.800000110.9L524 A530L524-A526 PolarHBondContact O-N 3.44Å; A526-A530 VanDerWaalsContact O-CB 3.31Å; A526-A530 WeakPolarHBondContact O-CB 3.16Å; A526-A530 PolarHBondContact O-N 3.41Å
527N64.8Low56Low96 Ų9668.8 Ų68.851%0.51340%0.403SS..Hα-helixtrans-66.1-46172.4-16065.2000113.3S525 K529 A530 N531S525-N527 CarbonylContact O-C 3.59Å; S525-N527 PolarHBondContact O-N 2.79Å; S525-N527 PolarHBondContact OG-N 3.01Å; N527-K529 PolarHBondContact O-N 3.38Å; N527-A530 PolarHBondContact O-N 2.99Å; N527-N531 PolarHBondContact ND2-ND2 3.01Å; N527-N531 WeakPolarHBondContact O-CB 3.03Å; N527-N531 PolarHBondContact O-N 3.4Å; N527-N531 PolarHBondContact O-ND2 3.39Å; N527-N531 PolarHBondContact O-OD1 3.35Å
528D65.8Low58.3Low61 Ų6167.1 Ų67.133%0.32638%0.384SS..Hα-helixtrans-65.9-39.6179.5-56.1-30000111.4L524 S525 N531 F532L524-D528 HydrophobicContact CB-CB 4.26Å; L524-D528 HydrophobicContact CD2-CB 4.09Å; S525-D528 WeakPolarHBondContact CB-OD2 3.38Å; S525-D528 PolarHBondContact N-OD2 3.42Å; S525-D528 VanDerWaalsContact N-OD2 3.14Å; S525-D528 PolarHBondContact O-N 3.21Å; D528-N531 PolarHBondContact O-N 2.95Å; D528-F532 WeakPolarHBondContact O-CB 3.44Å; D528-F532 PolarHBondContact O-N 3.45Å
529K64.6Low60.8Low33 Ų3361.6 Ų61.614%0.14335%0.35CS..Hα-helixtrans-60.1-50.4172.7-63.8-175.4-174-166.50110.6L524 S525 N527 N531 F532 F533 Y630 A728L524-K529 HydrophobicContact CB-CD 4.47Å; L524-K529 HydrophobicContact CB-CG 3.57Å; L524-K529 HydrophobicContact CD1-CG 4.25Å; L524-K529 WeakPolarHBondContact O-CE 3.1Å; S525-K529 PolarHBondContact O-N 2.8Å; N527-K529 PolarHBondContact O-N 3.38Å; K529-N531 PolarHBondContact O-N 3.47Å; K529-F532 PolarHBondContact O-N 3.28Å; K529-F533 HydrophobicContact CB-CD2 4.49Å; K529-F533 HydrophobicContact CB-CE2 4.49Å; K529-F533 WeakPolarHBondContact O-CD2 3.17Å; K529-F533 PolarHBondContact O-N 2.86Å; K529-Y630 HydrophobicContact CD-CE1 3.99Å; K529-Y630 WeakPolarHBondContact CE-OH 3.31Å; K529-Y630 HydrophobicContact CG-CE1 4Å; K529-Y630 PolarHBondContact NZ-OH 3.13Å; K529-A728 PolarHBondContact NZ-O 3.24Å
530A68.5Low63.4Low40 Ų4054.5 Ų54.533%0.33132%0.324SS..Hα-helixtrans-60.2-45.4179.400000111.4A526 N527 F532 F533 Q534A526-A530 VanDerWaalsContact O-CB 3.31Å; A526-A530 WeakPolarHBondContact O-CB 3.16Å; A526-A530 PolarHBondContact O-N 3.41Å; N527-A530 PolarHBondContact O-N 2.99Å; A530-F532 VanDerWaalsContact C-N 3.32Å; A530-F532 PolarHBondContact O-N 3.15Å; A530-F533 PolarHBondContact O-N 3.39Å; A530-Q534 WeakPolarHBondContact O-CB 3.49Å; A530-Q534 VanDerWaalsContact O-CG 3.22Å; A530-Q534 WeakPolarHBondContact O-CG 3.5Å; A530-Q534 PolarHBondContact O-N 2.85Å
531N69.7Low65.9Low70 Ų7055 Ų5537%0.37432%0.319SS..Hα-helixtrans-60.3-41.9176.8-68.2-17.3000111.6N527 D528 K529 Q534 L535N527-N531 PolarHBondContact ND2-ND2 3.01Å; N527-N531 WeakPolarHBondContact O-CB 3.03Å; N527-N531 PolarHBondContact O-N 3.4Å; N527-N531 PolarHBondContact O-ND2 3.39Å; N527-N531 PolarHBondContact O-OD1 3.35Å; D528-N531 PolarHBondContact O-N 2.95Å; K529-N531 PolarHBondContact O-N 3.47Å; N531-Q534 PolarHBondContact O-N 2.78Å; N531-L535 VanDerWaalsContact O-CB 3.27Å; N531-L535 WeakPolarHBondContact O-CB 3.5Å; N531-L535 PolarHBondContact O-N 2.93Å
532F69.6Low68.2Low1 Ų153.5 Ų53.50%0.00429%0.293CS..Hα-helixtrans-66.3-46.9176.9-179.7-112.5000112.8V483 F487 D528 K529 A530 Q534 L535 I536 L627 Y630 M631V483-F532 HydrophobicContact CB-CE2 4.44Å; V483-F532 HydrophobicContact CG1-CE2 3.84Å; V483-F532 HydrophobicContact CG2-CD2 4.24Å; V483-F532 HydrophobicContact CG2-CE2 3.83Å; F487-F532 HydrophobicContact CD2-CD2 4.09Å; F487-F532 HydrophobicContact CD2-CE2 4.2Å; F487-F532 HydrophobicContact CE2-CB 3.93Å; F487-F532 AromaticContact CE2-CD1 3.85Å; F487-F532 HydrophobicContact CE2-CD1 3.85Å; F487-F532 AromaticContact CE2-CD2 3.29Å; F487-F532 HydrophobicContact CE2-CD2 3.29Å; F487-F532 HydrophobicContact CE2-CE1 4.07Å; F487-F532 AromaticContact CE2-CE2 3.54Å; F487-F532 HydrophobicContact CE2-CE2 3.54Å; F487-F532 AromaticContact CE2-CG 3.41Å; F487-F532 HydrophobicContact CE2-CG 3.41Å; F487-F532 VanDerWaalsContact CE2-CG 3.41Å; F487-F532 AromaticContact CE2-CZ 3.9Å; F487-F532 HydrophobicContact CE2-CZ 3.9Å; F487-F532 HydrophobicContact CZ-CB 4.48Å; F487-F532 AromaticContact CZ-CD1 3.85Å; F487-F532 HydrophobicContact CZ-CD1 3.85Å; F487-F532 HydrophobicContact CZ-CD2 4.12Å; F487-F532 AromaticContact CZ-CE1 3.95Å; F487-F532 HydrophobicContact CZ-CE1 3.95Å; F487-F532 HydrophobicContact CZ-CE2 4.2Å; F487-F532 AromaticContact CZ-CG 3.9Å; F487-F532 HydrophobicContact CZ-CG 3.9Å; F487-F532 HydrophobicContact CZ-CZ 4.09Å; D528-F532 WeakPolarHBondContact O-CB 3.44Å; D528-F532 PolarHBondContact O-N 3.45Å; K529-F532 PolarHBondContact O-N 3.28Å; A530-F532 VanDerWaalsContact C-N 3.32Å; A530-F532 PolarHBondContact O-N 3.15Å; F532-Q534 VanDerWaalsContact C-N 3.29Å; F532-Q534 PolarHBondContact O-N 3.01Å; F532-L535 PolarHBondContact O-N 3.21Å; F532-I536 HydrophobicContact CD1-CD1 3.6Å; F532-I536 HydrophobicContact CD1-CG1 4.49Å; F532-I536 HydrophobicContact CD2-CD1 4.31Å; F532-I536 HydrophobicContact CD2-CG1 4.44Å; F532-I536 HydrophobicContact CE1-CD1 3.11Å; F532-I536 HydrophobicContact CE1-CG1 4.16Å; F532-I536 HydrophobicContact CE2-CD1 3.93Å; F532-I536 HydrophobicContact CE2-CG1 4.13Å; F532-I536 HydrophobicContact CG-CD1 4.2Å; F532-I536 HydrophobicContact CZ-CD1 3.34Å; F532-I536 HydrophobicContact CZ-CG1 4.01Å; F532-I536 WeakPolarHBondContact O-CG1 3.42Å; F532-I536 PolarHBondContact O-N 3.45Å; F532-L627 HydrophobicContact CE2-CD1 3.72Å; F532-L627 HydrophobicContact CZ-CD1 3.5Å; F532-Y630 HydrophobicContact CD1-CG 4.46Å; F532-Y630 HydrophobicContact CE1-CG 4.42Å; F532-M631 HydrophobicContact CE1-CG 4.42Å; F532-M631 HydrophobicContact CE1-SD 4.39Å; F532-M631 HydrophobicContact CE2-SD 4.38Å; F532-M631 HydrophobicContact CZ-CG 3.87Å; F532-M631 HydrophobicContact CZ-SD 3.68Å
533F72.6Confident70Confident44 Ų4452 Ų5219%0.19328%0.282CS..Hα-helixtrans-60.8-40.5175.6-78-64.1000111.5K529 A530 N537 Y630 C633 A634K529-F533 HydrophobicContact CB-CD2 4.49Å; K529-F533 HydrophobicContact CB-CE2 4.49Å; K529-F533 WeakPolarHBondContact O-CD2 3.17Å; K529-F533 PolarHBondContact O-N 2.86Å; A530-F533 PolarHBondContact O-N 3.39Å; F533-N537 VanDerWaalsContact O-CB 3.23Å; F533-N537 WeakPolarHBondContact O-CB 3.2Å; F533-N537 VanDerWaalsContact O-CG 3.25Å; F533-N537 PolarHBondContact O-N 3.17Å; F533-N537 PolarHBondContact O-ND2 3.46Å; F533-Y630 AromaticContact CE2-CD1 3.78Å; F533-Y630 HydrophobicContact CE2-CD1 3.78Å; F533-Y630 HydrophobicContact CE2-CE1 4.14Å; F533-Y630 AromaticContact CZ-CD1 3.62Å; F533-Y630 HydrophobicContact CZ-CD1 3.62Å; F533-Y630 HydrophobicContact CZ-CE1 4.29Å; F533-C633 HydrophobicContact CE1-CB 4.28Å; F533-C633 HydrophobicContact CZ-CB 4.42Å; F533-A634 HydrophobicContact CD1-CB 3.68Å; F533-A634 HydrophobicContact CE1-CB 3.81Å
534Q73.3Confident71.7Confident127 Ų12750.5 Ų50.559%0.59327%0.271SS*.Hα-helixtrans-62.7-43.6174-75.4176.94.400111.5A530 N531 F532 N537 R538A530-Q534 WeakPolarHBondContact O-CB 3.49Å; A530-Q534 VanDerWaalsContact O-CG 3.22Å; A530-Q534 WeakPolarHBondContact O-CG 3.5Å; A530-Q534 PolarHBondContact O-N 2.85Å; N531-Q534 PolarHBondContact O-N 2.78Å; F532-Q534 VanDerWaalsContact C-N 3.29Å; F532-Q534 PolarHBondContact O-N 3.01Å; Q534-N537 PolarHBondContact O-N 3.03Å; Q534-R538 WeakPolarHBondContact O-CB 3.4Å; Q534-R538 PolarHBondContact O-N 2.95Å
535L73.8Confident73.3Confident44 Ų4451.6 Ų51.623%0.2328%0.281CS..Hα-helixtrans-63.4-45.5179.3-167.8116.9000111.9L479 V483 N531 F532 A539L479-L535 HydrophobicContact CB-CD2 4.35Å; L479-L535 HydrophobicContact CD2-CD1 4.14Å; L479-L535 HydrophobicContact CD2-CD2 3.86Å; L479-L535 HydrophobicContact CD2-CG 3.81Å; V483-L535 HydrophobicContact CG2-CD2 3.49Å; V483-L535 VanDerWaalsContact CG2-CD2 3.49Å; N531-L535 VanDerWaalsContact O-CB 3.27Å; N531-L535 WeakPolarHBondContact O-CB 3.5Å; N531-L535 PolarHBondContact O-N 2.93Å; F532-L535 PolarHBondContact O-N 3.21Å; L535-A539 WeakPolarHBondContact O-CB 3.39Å; L535-A539 PolarHBondContact O-N 3.18Å
536I75.6Confident74.6Confident6 Ų649.7 Ų49.73%0.03127%0.268CS..Hα-helixtrans-63.9-49.9174.5-63.5163.6000110.6F532 R538 A539 F540 M631 A634 L635F532-I536 HydrophobicContact CD1-CD1 3.6Å; F532-I536 HydrophobicContact CD1-CG1 4.49Å; F532-I536 HydrophobicContact CD2-CD1 4.31Å; F532-I536 HydrophobicContact CD2-CG1 4.44Å; F532-I536 HydrophobicContact CE1-CD1 3.11Å; F532-I536 HydrophobicContact CE1-CG1 4.16Å; F532-I536 HydrophobicContact CE2-CD1 3.93Å; F532-I536 HydrophobicContact CE2-CG1 4.13Å; F532-I536 HydrophobicContact CG-CD1 4.2Å; F532-I536 HydrophobicContact CZ-CD1 3.34Å; F532-I536 HydrophobicContact CZ-CG1 4.01Å; F532-I536 WeakPolarHBondContact O-CG1 3.42Å; F532-I536 PolarHBondContact O-N 3.45Å; I536-R538 PolarHBondContact O-N 2.93Å; I536-A539 WeakPolarHBondContact O-CB 3.47Å; I536-A539 PolarHBondContact O-N 2.97Å; I536-A539 VanDerWaalsContact O-N 3.08Å; I536-F540 HydrophobicContact CG2-CD2 3.68Å; I536-F540 HydrophobicContact CG2-CE2 3.89Å; I536-F540 WeakPolarHBondContact O-CD2 3.15Å; I536-F540 PolarHBondContact O-N 3.38Å; I536-M631 HydrophobicContact CD1-CG 4.35Å; I536-M631 HydrophobicContact CD1-SD 3.35Å; I536-M631 WeakPolarHBondContact CD1-SD 3.15Å; I536-M631 HydrophobicContact CG1-SD 3.58Å; I536-M631 VanDerWaalsContact CG1-SD 3.58Å; I536-A634 HydrophobicContact CB-CB 4.41Å; I536-A634 HydrophobicContact CD1-CB 3.77Å; I536-A634 HydrophobicContact CG2-CB 4.03Å; I536-L635 HydrophobicContact CG2-CD2 4.18Å
537N76.9Confident75.8Confident62 Ų6245.9 Ų45.933%0.33224%0.236SC..Hα-helixtrans-60.1-40.2-177.2-79.5-28.4000111.2F533 Q534 L541 R638F533-N537 VanDerWaalsContact O-CB 3.23Å; F533-N537 WeakPolarHBondContact O-CB 3.2Å; F533-N537 VanDerWaalsContact O-CG 3.25Å; F533-N537 PolarHBondContact O-N 3.17Å; F533-N537 PolarHBondContact O-ND2 3.46Å; Q534-N537 PolarHBondContact O-N 3.03Å; N537-L541 WeakPolarHBondContact O-CB 3.46Å; N537-L541 WeakPolarHBondContact O-CD1 3.27Å; N537-L541 WeakPolarHBondContact O-CG 3.49Å; N537-L541 PolarHBondContact O-N 2.94Å; N537-R638 PolarHBondContact O-NH1 2.85Å
538R77Confident76.8Confident134 Ų13445.3 Ų45.351%0.50623%0.232SC..Hα-helixtrans-61.5-47.8172.8-169.1179-141.9173.79.3111.6D423 Q534 I536 F540 L541 E542D423-R538 IonicContact OD2-CZ 2.78Å; D423-R538 IonicContact OD2-NH1 3.16Å; D423-R538 PolarHBondContact OD2-NH1 3.21Å; Q534-R538 WeakPolarHBondContact O-CB 3.4Å; Q534-R538 PolarHBondContact O-N 2.95Å; I536-R538 PolarHBondContact O-N 2.93Å; R538-F540 VanDerWaalsContact C-N 3.33Å; R538-F540 PolarHBondContact O-N 3.18Å; R538-L541 PolarHBondContact O-N 2.94Å; R538-E542 WeakPolarHBondContact O-CG 3.37Å; R538-E542 PolarHBondContact O-N 3.08Å
539A78.4Confident77.7Confident7 Ų744.5 Ų44.56%0.05823%0.227CC..Hα-helixtrans-55.8-47178.700000112.7F475 L479 L535 I536 E542 I543F475-A539 HydrophobicContact CE1-CB 3.88Å; F475-A539 HydrophobicContact CZ-CB 4.18Å; L479-A539 HydrophobicContact CD1-CB 3.33Å; L535-A539 WeakPolarHBondContact O-CB 3.39Å; L535-A539 PolarHBondContact O-N 3.18Å; I536-A539 WeakPolarHBondContact O-CB 3.47Å; I536-A539 PolarHBondContact O-N 2.97Å; I536-A539 VanDerWaalsContact O-N 3.08Å; A539-E542 PolarHBondContact O-N 3.31Å; A539-I543 WeakPolarHBondContact O-CG1 3.38Å; A539-I543 PolarHBondContact O-N 2.83Å; A539-I543 VanDerWaalsContact O-N 3.15Å
540F79.8Confident78.8Confident3 Ų342.9 Ų42.91%0.01322%0.22CC..Hα-helixtrans-75.3-28.6179.3-80.6-93.5000112.9I536 R538 E542 I543 D544 F601 M631 L635 R638 L656I536-F540 HydrophobicContact CG2-CD2 3.68Å; I536-F540 HydrophobicContact CG2-CE2 3.89Å; I536-F540 WeakPolarHBondContact O-CD2 3.15Å; I536-F540 PolarHBondContact O-N 3.38Å; R538-F540 VanDerWaalsContact C-N 3.33Å; R538-F540 PolarHBondContact O-N 3.18Å; F540-E542 VanDerWaalsContact C-N 3.34Å; F540-I543 PolarHBondContact O-N 2.89Å; F540-D544 WeakPolarHBondContact O-CB 3.46Å; F540-D544 PolarHBondContact O-N 2.66Å; F540-F601 HydrophobicContact CE1-CZ 4.14Å; F540-F601 HydrophobicContact CE2-CE1 4.02Å; F540-F601 AromaticContact CE2-CZ 3.63Å; F540-F601 HydrophobicContact CE2-CZ 3.63Å; F540-F601 AromaticContact CZ-CE1 3.76Å; F540-F601 HydrophobicContact CZ-CE1 3.76Å; F540-F601 HydrophobicContact CZ-CE2 4.03Å; F540-F601 AromaticContact CZ-CZ 3.28Å; F540-F601 HydrophobicContact CZ-CZ 3.28Å; F540-M631 HydrophobicContact CE2-CE 4.49Å; F540-L635 HydrophobicContact CD1-CD2 4.09Å; F540-L635 HydrophobicContact CD2-CD2 3.73Å; F540-L635 HydrophobicContact CE1-CD1 4.48Å; F540-L635 HydrophobicContact CE1-CD2 3.78Å; F540-L635 HydrophobicContact CE2-CD1 4.41Å; F540-L635 HydrophobicContact CE2-CD2 3.42Å; F540-L635 VanDerWaalsContact CE2-CD2 3.42Å; F540-L635 HydrophobicContact CE2-CG 4.45Å; F540-L635 HydrophobicContact CG-CD2 4.06Å; F540-L635 HydrophobicContact CZ-CD1 3.88Å; F540-L635 HydrophobicContact CZ-CD2 3.42Å; F540-L635 VanDerWaalsContact CZ-CD2 3.42Å; F540-L635 HydrophobicContact CZ-CG 4.3Å; F540-R638 VanDerWaalsContact CB-NH1 3.31Å; F540-R638 PolarHBondContact O-NH2 2.98Å; F540-L656 HydrophobicContact CE1-CD1 3.62Å; F540-L656 HydrophobicContact CZ-CD1 3.76Å
541L80.6Confident79.6Confident101 Ų10143.9 Ų43.953%0.52922%0.217SC..Hα-helixtrans-65-38171.5-76.5166.9000112.1N537 R538 D544 S545N537-L541 WeakPolarHBondContact O-CB 3.46Å; N537-L541 WeakPolarHBondContact O-CD1 3.27Å; N537-L541 WeakPolarHBondContact O-CG 3.49Å; N537-L541 PolarHBondContact O-N 2.94Å; R538-L541 PolarHBondContact O-N 2.94Å; L541-D544 PolarHBondContact O-N 3.29Å; L541-S545 WeakPolarHBondContact O-CB 3.32Å; L541-S545 PolarHBondContact O-N 2.96Å
542E81.1Confident80.4Confident40 Ų4047 Ų4719%0.18723%0.228CC..Hα-helixtrans-69-39.7175.4-69.1-66.6150.400112L425 F475 R538 A539 F540 S546L425-E542 HydrophobicContact CD1-CB 3.86Å; F475-E542 HydrophobicContact CZ-CB 4.29Å; F475-E542 HydrophobicContact CZ-CG 4.45Å; R538-E542 WeakPolarHBondContact O-CG 3.37Å; R538-E542 PolarHBondContact O-N 3.08Å; A539-E542 PolarHBondContact O-N 3.31Å; F540-E542 VanDerWaalsContact C-N 3.34Å; E542-S546 WeakPolarHBondContact O-CB 3.35Å; E542-S546 PolarHBondContact O-N 2.51Å; E542-S546 PolarHBondContact O-OG 3.47Å
543I82.2Confident81.4Confident3 Ų347.7 Ų47.72%0.01523%0.231CC..Hα-helixtrans-61.2-48171.9-67.5168.8000109.9A539 F540 S545 S546 V547 I597 F601A539-I543 WeakPolarHBondContact O-CG1 3.38Å; A539-I543 PolarHBondContact O-N 2.83Å; A539-I543 VanDerWaalsContact O-N 3.15Å; F540-I543 PolarHBondContact O-N 2.89Å; I543-S545 PolarHBondContact O-N 3.47Å; I543-S546 WeakPolarHBondContact O-CB 3.36Å; I543-S546 PolarHBondContact O-N 3.07Å; I543-S546 VanDerWaalsContact O-N 3.08Å; I543-V547 HydrophobicContact CG2-CG2 4.22Å; I543-V547 VanDerWaalsContact O-CG2 3.28Å; I543-V547 WeakPolarHBondContact O-CG2 3.28Å; I543-V547 PolarHBondContact O-N 3.35Å; I543-I597 HydrophobicContact CG2-CD1 3.76Å; I543-F601 HydrophobicContact CD1-CE2 4.34Å
544D82.7Confident82.1Confident37 Ų3745.6 Ų45.620%0.19822%0.221CC..Hα-helixtrans-63.2-41.5-179.3-72.72000112.2F540 L541 S546 V547 L548 R638 S649F540-D544 WeakPolarHBondContact O-CB 3.46Å; F540-D544 PolarHBondContact O-N 2.66Å; L541-D544 PolarHBondContact O-N 3.29Å; D544-S546 VanDerWaalsContact C-N 3.28Å; D544-S546 PolarHBondContact O-N 3.16Å; D544-V547 PolarHBondContact O-N 2.9Å; D544-L548 WeakPolarHBondContact O-CB 3.39Å; D544-L548 PolarHBondContact O-N 3.4Å; D544-R638 VanDerWaalsContact CG-NH2 3.34Å; D544-R638 IonicContact OD2-CZ 2.92Å; D544-R638 IonicContact OD2-NE 2.68Å; D544-R638 PolarHBondContact OD2-NE 3.34Å; D544-R638 IonicContact OD2-NH2 2.77Å; D544-R638 PolarHBondContact OD2-NH2 3.01Å; D544-S649 VanDerWaalsContact OD1-CB 3.24Å; D544-S649 WeakPolarHBondContact OD1-CB 3.36Å; D544-S649 PolarHBondContact OD1-OG 3.36Å; D544-S649 PolarHBondContact OD2-OG 2.76Å; D544-S649 VanDerWaalsContact OD2-OG 3.09Å
545S84.5Confident82.8Confident44 Ų4442 Ų4231%0.30821%0.21SC..Hα-helixtrans-60-40.4173.2172.60000111.4L541 I543 Q549L541-S545 WeakPolarHBondContact O-CB 3.32Å; L541-S545 PolarHBondContact O-N 2.96Å; I543-S545 PolarHBondContact O-N 3.47Å; S545-Q549 WeakPolarHBondContact O-CB 3.41Å; S545-Q549 VanDerWaalsContact O-CG 3.25Å; S545-Q549 WeakPolarHBondContact O-CG 3.28Å; S545-Q549 PolarHBondContact O-N 3.34Å; S545-Q549 PolarHBondContact OG-NE2 2.85Å
546S83.9Confident83.4Confident8 Ų845.2 Ų45.26%0.05622%0.22CC..Hα-helixtrans-68.4-43.3178.7-560000111.4E542 I543 D544 L548 Q549 E550E542-S546 WeakPolarHBondContact O-CB 3.35Å; E542-S546 PolarHBondContact O-N 2.51Å; E542-S546 PolarHBondContact O-OG 3.47Å; I543-S546 WeakPolarHBondContact O-CB 3.36Å; I543-S546 PolarHBondContact O-N 3.07Å; I543-S546 VanDerWaalsContact O-N 3.08Å; D544-S546 VanDerWaalsContact C-N 3.28Å; D544-S546 PolarHBondContact O-N 3.16Å; S546-L548 VanDerWaalsContact C-N 3.35Å; S546-L548 PolarHBondContact O-N 3.42Å; S546-Q549 PolarHBondContact O-N 2.84Å; S546-E550 WeakPolarHBondContact O-CB 3.22Å; S546-E550 PolarHBondContact O-N 3.4Å
547V86.2Confident84.1Confident3 Ų345 Ų452%0.01822%0.218CC..Hα-helixtrans-60.2-45175174.50000110.9I543 D544 E550 E551 F594 T648 I652I543-V547 HydrophobicContact CG2-CG2 4.22Å; I543-V547 VanDerWaalsContact O-CG2 3.28Å; I543-V547 WeakPolarHBondContact O-CG2 3.28Å; I543-V547 PolarHBondContact O-N 3.35Å; D544-V547 PolarHBondContact O-N 2.9Å; V547-E550 PolarHBondContact O-N 3.42Å; V547-E551 WeakPolarHBondContact O-CB 3.23Å; V547-E551 PolarHBondContact O-N 3.3Å; V547-F594 HydrophobicContact CB-CE2 4.07Å; V547-F594 HydrophobicContact CB-CZ 4.27Å; V547-F594 HydrophobicContact CG1-CE2 4.3Å; V547-F594 HydrophobicContact CG2-CD1 4.13Å; V547-F594 HydrophobicContact CG2-CD2 3.79Å; V547-F594 HydrophobicContact CG2-CE1 3.95Å; V547-F594 HydrophobicContact CG2-CE2 3.63Å; V547-F594 HydrophobicContact CG2-CG 4.05Å; V547-F594 HydrophobicContact CG2-CZ 3.7Å; V547-T648 WeakPolarHBondContact CG1-OG1 3.16Å; V547-I652 HydrophobicContact CG2-CD1 4.25Å
548L85.6Confident84.7Confident83 Ų8342 Ų4244%0.43520%0.202SC..Hα-helixtrans-67.5-37.6179.8-176.965.6000112.7D544 S546 K552D544-L548 WeakPolarHBondContact O-CB 3.39Å; D544-L548 PolarHBondContact O-N 3.4Å; S546-L548 VanDerWaalsContact C-N 3.35Å; S546-L548 PolarHBondContact O-N 3.42Å; L548-K552 WeakPolarHBondContact O-CG 3.4Å; L548-K552 PolarHBondContact O-N 3.02Å
549Q84.7Confident85.1Confident44 Ų4438.2 Ų38.221%0.20619%0.19CC..Hα-helixtrans-64.8-44.1174.4-76.1172.527.600111S545 S546 E551 K552 F553S545-Q549 WeakPolarHBondContact O-CB 3.41Å; S545-Q549 VanDerWaalsContact O-CG 3.25Å; S545-Q549 WeakPolarHBondContact O-CG 3.28Å; S545-Q549 PolarHBondContact O-N 3.34Å; S545-Q549 PolarHBondContact OG-NE2 2.85Å; S546-Q549 PolarHBondContact O-N 2.84Å; Q549-E551 VanDerWaalsContact C-N 3.35Å; Q549-E551 PolarHBondContact O-N 3.25Å; Q549-K552 PolarHBondContact O-N 3.28Å; Q549-F553 WeakPolarHBondContact O-CB 3.49Å; Q549-F553 PolarHBondContact O-N 3.29Å
550E88Confident85Confident0 Ų038.2 Ų38.20%019%0.19CC..Hα-helixtrans-64.3-39.4177.7-163.462.1-142.600111.9Y432 Y460 Y468 S546 V547 F553 C554 L590 I593 F594Y432-E550 PolarHBondContact OH-OE2 3.22Å; Y460-E550 VanDerWaalsContact CE1-OE1 3.26Å; Y460-E550 WeakPolarHBondContact CE1-OE1 3.33Å; Y460-E550 VanDerWaalsContact CZ-OE1 3.27Å; Y460-E550 PolarHBondContact OH-OE1 3.45Å; Y468-E550 HydrophobicContact CE2-CG 4.17Å; Y468-E550 WeakPolarHBondContact CE2-OE2 3.31Å; Y468-E550 PolarHBondContact OH-OE2 2.89Å; S546-E550 WeakPolarHBondContact O-CB 3.22Å; S546-E550 PolarHBondContact O-N 3.4Å; V547-E550 PolarHBondContact O-N 3.42Å; E550-F553 PolarHBondContact O-N 3.47Å; E550-C554 VanDerWaalsContact O-CB 3.29Å; E550-C554 WeakPolarHBondContact O-CB 3.39Å; E550-C554 PolarHBondContact O-N 2.95Å; E550-C554 PolarHBondContact O-SG 3.16Å; E550-L590 HydrophobicContact CB-CD2 4Å; E550-L590 HydrophobicContact CG-CD2 3.89Å; E550-I593 HydrophobicContact CG-CD1 4Å; E550-I593 HydrophobicContact CG-CG2 4.47Å; E550-F594 HydrophobicContact CB-CE2 4.12Å; E550-F594 HydrophobicContact CB-CZ 4.24Å; E550-F594 HydrophobicContact CG-CE2 4.24Å
551E86.7Confident84.4Confident60 Ų6041.6 Ų41.628%0.2821%0.21SC..Hα-helixtrans-60.8-49.7174.3-177.2172.3-171.700111.7V547 Q549 F553 C554 S555 M586 L590V547-E551 WeakPolarHBondContact O-CB 3.23Å; V547-E551 PolarHBondContact O-N 3.3Å; Q549-E551 VanDerWaalsContact C-N 3.35Å; Q549-E551 PolarHBondContact O-N 3.25Å; E551-F553 VanDerWaalsContact C-N 3.33Å; E551-F553 PolarHBondContact O-N 2.53Å; E551-C554 PolarHBondContact O-N 3.16Å; E551-S555 VanDerWaalsContact O-CB 3.28Å; E551-S555 WeakPolarHBondContact O-CB 3.49Å; E551-S555 PolarHBondContact O-N 3.22Å; E551-M586 HydrophobicContact CG-CE 4.21Å; E551-M586 HydrophobicContact CG-CG 4.13Å; E551-M586 HydrophobicContact CG-SD 4.23Å; E551-M586 WeakPolarHBondContact O-CE 3.38Å; E551-L590 HydrophobicContact CB-CD1 3.67Å; E551-L590 HydrophobicContact CB-CD2 4.4Å; E551-L590 HydrophobicContact CG-CD1 3.83Å
552K86.4Confident83.3Confident137 Ų13742 Ų4260%0.59621%0.213SC*.Hα-helixtrans-60.6-43.8177.4-74.3175.8-178.8-179.70111.5L548 Q549 W556L548-K552 WeakPolarHBondContact O-CG 3.4Å; L548-K552 PolarHBondContact O-N 3.02Å; Q549-K552 PolarHBondContact O-N 3.28Å; K552-W556 WeakPolarHBondContact O-CB 3.42Å; K552-W556 PolarHBondContact O-N 2.94Å
553F88.7Confident81.5Confident14 Ų1444.4 Ų44.46%0.06124%0.24CC..Hα-helixtrans-64.7-50177.8176.3-101.3000111.6Y432 L435 Y460 Q549 E550 E551 S555 W556 F557Y432-F553 HydrophobicContact CD1-CB 4.1Å; Y432-F553 AromaticContact CD1-CD1 3.6Å; Y432-F553 HydrophobicContact CD1-CD1 3.6Å; Y432-F553 AromaticContact CD1-CD2 3.32Å; Y432-F553 HydrophobicContact CD1-CD2 3.32Å; Y432-F553 AromaticContact CD1-CE1 3.8Å; Y432-F553 HydrophobicContact CD1-CE1 3.8Å; Y432-F553 AromaticContact CD1-CE2 3.54Å; Y432-F553 HydrophobicContact CD1-CE2 3.54Å; Y432-F553 AromaticContact CD1-CG 3.35Å; Y432-F553 HydrophobicContact CD1-CG 3.35Å; Y432-F553 AromaticContact CD1-CZ 3.78Å; Y432-F553 HydrophobicContact CD1-CZ 3.78Å; Y432-F553 HydrophobicContact CD2-CB 4.47Å; Y432-F553 HydrophobicContact CD2-CD2 4.23Å; Y432-F553 HydrophobicContact CD2-CG 4.42Å; Y432-F553 HydrophobicContact CE1-CB 3.83Å; Y432-F553 AromaticContact CE1-CD1 3.51Å; Y432-F553 HydrophobicContact CE1-CD1 3.51Å; Y432-F553 AromaticContact CE1-CD2 3.95Å; Y432-F553 HydrophobicContact CE1-CD2 3.95Å; Y432-F553 HydrophobicContact CE1-CE1 4.06Å; Y432-F553 HydrophobicContact CE1-CE2 4.43Å; Y432-F553 AromaticContact CE1-CG 3.45Å; Y432-F553 HydrophobicContact CE1-CG 3.45Å; Y432-F553 VanDerWaalsContact CE1-CG 3.45Å; Y432-F553 HydrophobicContact CE1-CZ 4.48Å; Y432-F553 HydrophobicContact CE2-CB 4.23Å; Y432-F553 HydrophobicContact CE2-CG 4.49Å; Y432-F553 HydrophobicContact CG-CB 4.41Å; Y432-F553 AromaticContact CG-CD2 3.49Å; Y432-F553 HydrophobicContact CG-CD2 3.49Å; Y432-F553 VanDerWaalsContact CG-CD2 3.49Å; Y432-F553 AromaticContact CG-CE2 3.84Å; Y432-F553 HydrophobicContact CG-CE2 3.84Å; Y432-F553 AromaticContact CG-CG 3.88Å; Y432-F553 HydrophobicContact CG-CG 3.88Å; L435-F553 HydrophobicContact CB-CZ 3.99Å; L435-F553 HydrophobicContact CD1-CE1 4.22Å; L435-F553 HydrophobicContact CD1-CZ 3.81Å; Y460-F553 HydrophobicContact CE2-CE1 4.06Å; Y460-F553 AromaticContact CZ-CE1 3.76Å; Y460-F553 VanDerWaalsContact OH-CD1 3.3Å; Y460-F553 WeakPolarHBondContact OH-CD1 3.38Å; Y460-F553 VanDerWaalsContact OH-CE1 3.24Å; Y460-F553 WeakPolarHBondContact OH-CE1 3.33Å; Q549-F553 WeakPolarHBondContact O-CB 3.49Å; Q549-F553 PolarHBondContact O-N 3.29Å; E550-F553 PolarHBondContact O-N 3.47Å; E551-F553 VanDerWaalsContact C-N 3.33Å; E551-F553 PolarHBondContact O-N 2.53Å; F553-S555 VanDerWaalsContact C-N 3.27Å; F553-S555 PolarHBondContact O-N 2.84Å; F553-W556 HydrophobicContact CD2-CE3 4.34Å; F553-W556 HydrophobicContact CE2-CE3 4.31Å; F553-W556 HydrophobicContact CE2-CZ3 4.31Å; F553-W556 PolarHBondContact O-N 3.18Å; F553-W556 VanDerWaalsContact O-N 3.17Å; F553-F557 HydrophobicContact CD1-CB 4.49Å; F553-F557 HydrophobicContact CD2-CB 4.4Å; F553-F557 HydrophobicContact CE1-CB 4.02Å; F553-F557 HydrophobicContact CE1-CD1 4.05Å; F553-F557 HydrophobicContact CE1-CG 4.17Å; F553-F557 HydrophobicContact CE2-CB 3.92Å; F553-F557 HydrophobicContact CE2-CG 4.24Å; F553-F557 HydrophobicContact CZ-CB 3.71Å; F553-F557 AromaticContact CZ-CD1 3.91Å; F553-F557 HydrophobicContact CZ-CD1 3.91Å; F553-F557 HydrophobicContact CZ-CD2 4.27Å; F553-F557 AromaticContact CZ-CG 3.69Å; F553-F557 HydrophobicContact CZ-CG 3.69Å; F553-F557 WeakPolarHBondContact O-CB 3.24Å; F553-F557 PolarHBondContact O-N 3.38Å
554C88.8Confident79.7Confident0 Ų049.1 Ų49.10%027%0.269CS..Hα-helixtrans-61.7-37.2179.5-72.50000111.8E550 E551 W556 F558 M586 L589E550-C554 VanDerWaalsContact O-CB 3.29Å; E550-C554 WeakPolarHBondContact O-CB 3.39Å; E550-C554 PolarHBondContact O-N 2.95Å; E550-C554 PolarHBondContact O-SG 3.16Å; E551-C554 PolarHBondContact O-N 3.16Å; C554-W556 VanDerWaalsContact C-N 3.35Å; C554-F558 HydrophobicContact CB-CD2 4.3Å; C554-F558 WeakPolarHBondContact O-CB 3.36Å; C554-F558 PolarHBondContact O-N 3.43Å; C554-M586 HydrophobicContact CB-CE 4.1Å; C554-M586 HydrophobicContact CB-SD 3.98Å; C554-L589 HydrophobicContact CB-CD2 3.83Å
555S86.7Confident77.7Confident51 Ų5151.8 Ų51.836%0.35730%0.296SS..Hα-helixtrans-63.9-44.6176.9-173.60000110.6E551 F553 H559E551-S555 VanDerWaalsContact O-CB 3.28Å; E551-S555 WeakPolarHBondContact O-CB 3.49Å; E551-S555 PolarHBondContact O-N 3.22Å; F553-S555 VanDerWaalsContact C-N 3.27Å; F553-S555 PolarHBondContact O-N 2.84Å; S555-H559 WeakPolarHBondContact O-CA 3.13Å; S555-H559 PolarHBondContact O-N 3.29Å
556W87.6Confident75.9Confident113 Ų11352.3 Ų52.343%0.42829%0.293SS..Hα-helixtrans-71.5-50.2-179.6177.974.4000112.8K436 K552 F553 C554 H559K436-W556 HydrophobicContact CB-CH2 4.07Å; K436-W556 HydrophobicContact CB-CZ3 4.42Å; K436-W556 HydrophobicContact CD-CH2 4.4Å; K436-W556 HydrophobicContact CG-CH2 3.25Å; K436-W556 HydrophobicContact CG-CZ2 4Å; K436-W556 HydrophobicContact CG-CZ3 3.92Å; K552-W556 WeakPolarHBondContact O-CB 3.42Å; K552-W556 PolarHBondContact O-N 2.94Å; F553-W556 HydrophobicContact CD2-CE3 4.34Å; F553-W556 HydrophobicContact CE2-CE3 4.31Å; F553-W556 HydrophobicContact CE2-CZ3 4.31Å; F553-W556 PolarHBondContact O-N 3.18Å; F553-W556 VanDerWaalsContact O-N 3.17Å; C554-W556 VanDerWaalsContact C-N 3.35Å; W556-H559 PolarHBondContact O-CE1 3.12Å; W556-H559 VanDerWaalsContact O-CE1 3.24Å; W556-H559 PolarHBondContact O-ND1 3.4Å
557F90.1Very high74.1Confident0 Ų056.1 Ų56.10%032%0.32CS..Hα-helixtrans-79.5-43.6-171.6-179.6-111.1000113.7L388 F392 L435 F438 V442 F553L388-F557 HydrophobicContact CD2-CE1 4.37Å; L388-F557 HydrophobicContact CD2-CZ 4.14Å; F392-F557 HydrophobicContact CZ-CE1 4.46Å; L435-F557 HydrophobicContact CB-CD2 4.5Å; L435-F557 HydrophobicContact CB-CE2 4.05Å; L435-F557 HydrophobicContact CB-CZ 4.11Å; L435-F557 WeakPolarHBondContact O-CE2 3.27Å; F438-F557 HydrophobicContact CB-CE2 4.05Å; F438-F557 HydrophobicContact CB-CZ 4.26Å; V442-F557 WeakPolarHBondContact CG1-O 3.49Å; V442-F557 HydrophobicContact CG2-CE1 4.02Å; V442-F557 HydrophobicContact CG2-CE2 4.06Å; V442-F557 HydrophobicContact CG2-CZ 3.62Å; F553-F557 HydrophobicContact CD1-CB 4.49Å; F553-F557 HydrophobicContact CD2-CB 4.4Å; F553-F557 HydrophobicContact CE1-CB 4.02Å; F553-F557 HydrophobicContact CE1-CD1 4.05Å; F553-F557 HydrophobicContact CE1-CG 4.17Å; F553-F557 HydrophobicContact CE2-CB 3.92Å; F553-F557 HydrophobicContact CE2-CG 4.24Å; F553-F557 HydrophobicContact CZ-CB 3.71Å; F553-F557 AromaticContact CZ-CD1 3.91Å; F553-F557 HydrophobicContact CZ-CD1 3.91Å; F553-F557 HydrophobicContact CZ-CD2 4.27Å; F553-F557 AromaticContact CZ-CG 3.69Å; F553-F557 HydrophobicContact CZ-CG 3.69Å; F553-F557 WeakPolarHBondContact O-CB 3.24Å; F553-F557 PolarHBondContact O-N 3.38Å
558F89.7Confident72.1Confident0 Ų066.6 Ų66.60%036%0.359CS..Hα-helixtrans-92.1-5.1178.9-65-72.4000112.8F392 V442 Y453 L456 L457 Y460 C554 V560F392-F558 HydrophobicContact CZ-CZ 4.23Å; V442-F558 HydrophobicContact CG1-CD1 3.78Å; V442-F558 HydrophobicContact CG1-CE1 4.45Å; Y453-F558 HydrophobicContact CE2-CB 4.28Å; Y453-F558 HydrophobicContact CE2-CD1 4.32Å; Y453-F558 WeakPolarHBondContact CE2-O 3.45Å; Y453-F558 PolarHBondContact OH-O 3.37Å; L456-F558 HydrophobicContact CD2-CE1 3.94Å; L456-F558 HydrophobicContact CG-CE1 4.22Å; L457-F558 HydrophobicContact CD2-CB 3.84Å; L457-F558 HydrophobicContact CD2-CD1 3.55Å; L457-F558 HydrophobicContact CD2-CD2 3.89Å; L457-F558 HydrophobicContact CD2-CE1 4.03Å; L457-F558 HydrophobicContact CD2-CE2 4.34Å; L457-F558 HydrophobicContact CD2-CG 3.49Å; L457-F558 VanDerWaalsContact CD2-CG 3.49Å; L457-F558 HydrophobicContact CD2-CZ 4.41Å; L457-F558 HydrophobicContact CG-CD1 4.36Å; Y460-F558 AromaticContact CD1-CE2 3.51Å; Y460-F558 HydrophobicContact CD1-CE2 3.51Å; Y460-F558 AromaticContact CD1-CZ 3.85Å; Y460-F558 HydrophobicContact CD1-CZ 3.85Å; Y460-F558 HydrophobicContact CD2-CE2 4.11Å; Y460-F558 AromaticContact CD2-CZ 3.86Å; Y460-F558 HydrophobicContact CD2-CZ 3.86Å; Y460-F558 AromaticContact CE1-CE2 3.81Å; Y460-F558 HydrophobicContact CE1-CE2 3.81Å; Y460-F558 HydrophobicContact CE1-CZ 4.47Å; Y460-F558 HydrophobicContact CE2-CE2 4.35Å; Y460-F558 HydrophobicContact CE2-CZ 4.47Å; Y460-F558 AromaticContact CG-CE2 3.67Å; Y460-F558 HydrophobicContact CG-CE2 3.67Å; Y460-F558 AromaticContact CG-CZ 3.49Å; Y460-F558 HydrophobicContact CG-CZ 3.49Å; Y460-F558 VanDerWaalsContact CG-CZ 3.49Å; C554-F558 HydrophobicContact CB-CD2 4.3Å; C554-F558 WeakPolarHBondContact O-CB 3.36Å; C554-F558 PolarHBondContact O-N 3.43Å; F558-V560 HydrophobicContact CB-CG2 3.79Å; F558-V560 PolarHBondContact O-N 3.24Å
559H84Confident70.1Confident54 Ų5466 Ų6625%0.2537%0.366CS..  trans55.834.6-176.5-53.4-74000112.3S439 K446 S555 W556 T561S439-H559 PolarHBondContact O-NE2 2.96Å; S439-H559 PolarHBondContact OG-NE2 3.42Å; K446-H559 HydrophobicContact CD-CB 4.47Å; K446-H559 PolarHBondContact NZ-O 3.3Å; S555-H559 WeakPolarHBondContact O-CA 3.13Å; S555-H559 PolarHBondContact O-N 3.29Å; W556-H559 PolarHBondContact O-CE1 3.12Å; W556-H559 VanDerWaalsContact O-CE1 3.24Å; W556-H559 PolarHBondContact O-ND1 3.4Å; H559-T561 PolarHBondContact O-N 3.46Å
560V78.1Confident68.4Low8 Ų864.7 Ų64.75%0.04836%0.361CS..  trans-76.3105.8175.7-177.20000107.7Y453 L457 F558 P585 M586Y453-V560 VanDerWaalsContact OH-CG2 3.29Å; Y453-V560 WeakPolarHBondContact OH-CG2 3.28Å; L457-V560 HydrophobicContact CD2-CG2 4.43Å; F558-V560 HydrophobicContact CB-CG2 3.79Å; F558-V560 PolarHBondContact O-N 3.24Å; V560-P585 HydrophobicContact CG1-CB 3.93Å; V560-P585 HydrophobicContact CG1-CG 3.73Å; V560-M586 HydrophobicContact CB-CE 4.2Å; V560-M586 HydrophobicContact CG1-CB 3.96Å; V560-M586 HydrophobicContact CG1-CE 4.47Å
561T66.5Low66.7Low73 Ų7368.6 Ų68.645%0.44838%0.382SS..  trans-104.2144.4172.750.40000109.6H559 A563H559-T561 PolarHBondContact O-N 3.46Å; T561-A563 PolarHBondContact O-N 3.15Å
562D56.6Low65Low109 Ų10973 Ų7358%0.58340%0.402SS*.THydrogen-bonded Turntrans-69.2-3.1-174.4-72-36.6000114.8
563A44.9Very low63.4Low91 Ų9168.2 Ų68.275%0.75238%0.383SS*.THydrogen-bonded Turntrans-126.41.9-159.300000117T561T561-A563 PolarHBondContact O-N 3.15Å
564V42.6Very low61.8Low102 Ų10268.2 Ų68.262%0.61838%0.384SS*.  trans-105.8101.7180-169.90000109.8F566V564-F566 PolarHBondContact O-N 3.11Å
565A42.3Very low60.1Low94 Ų9473.5 Ų73.578%0.77741%0.412SS*.  trans-47.6110163.200000108S567A565-S567 PolarHBondContact O-N 3.1Å
566F45.1Very low58.3Low55 Ų5578 Ų7824%0.24143%0.429CS..  trans-60.1135.5172.9-82.2-82.5000108F454 V564 V570 L574F454-F566 HydrophobicContact CE1-CZ 4.36Å; F454-F566 HydrophobicContact CE2-CE1 4.46Å; F454-F566 HydrophobicContact CZ-CD1 4.28Å; F454-F566 AromaticContact CZ-CE1 3.84Å; F454-F566 HydrophobicContact CZ-CE1 3.84Å; F454-F566 HydrophobicContact CZ-CE2 4.31Å; F454-F566 AromaticContact CZ-CZ 3.85Å; F454-F566 HydrophobicContact CZ-CZ 3.85Å; V564-F566 PolarHBondContact O-N 3.11Å; F566-V570 HydrophobicContact CB-CB 3.72Å; F566-V570 HydrophobicContact CB-CG1 3.56Å; F566-V570 HydrophobicContact CB-CG2 4.32Å; F566-V570 HydrophobicContact CD1-CB 4.17Å; F566-V570 HydrophobicContact CD1-CG1 3.56Å; F566-V570 HydrophobicContact CD1-CG2 4.11Å; F566-V570 HydrophobicContact CE1-CG1 4.34Å; F566-V570 HydrophobicContact CG-CB 4.29Å; F566-V570 HydrophobicContact CG-CG1 3.67Å; F566-L574 HydrophobicContact CB-CD1 4.32Å; F566-L574 HydrophobicContact CD2-CD1 4.43Å
567S46.1Very low56.7Low88 Ų8875 Ų7562%0.61542%0.417SS*.  trans-52148.1177.3172.10000110.9A565 A569 V570A565-S567 PolarHBondContact O-N 3.1Å; S567-A569 PolarHBondContact O-N 3.29Å; S567-V570 WeakPolarHBondContact O-CA 3.34Å; S567-V570 VanDerWaalsContact O-CB 3.3Å; S567-V570 WeakPolarHBondContact O-CB 3.37Å; S567-V570 PolarHBondContact O-N 3.39Å
568R44.7Very low55Low222 Ų22281.1 Ų81.184%0.83845%0.45SS*.Hα-helixtrans-42.4-33.6-179.5-94.4178.5148.3159.2-5.9115.6V570 D571R568-V570 PolarHBondContact O-N 3.04Å; R568-D571 WeakPolarHBondContact O-CB 3.48Å; R568-D571 PolarHBondContact O-N 3.3Å
569A45Very low53.4Low71 Ų7183.2 Ų83.259%0.58747%0.465SS*.Hα-helixtrans-66.4-22.7177.500000113.5S567S567-A569 PolarHBondContact O-N 3.29Å
570V48.9Very low52.1Low17 Ų1780.8 Ų80.810%0.10345%0.454CS..Hα-helixtrans-86.5-25.3176.2178.90000111.2F454 F566 S567 R568 E572 L573 L574F454-V570 HydrophobicContact CE2-CG1 3.53Å; F454-V570 HydrophobicContact CZ-CG1 3.62Å; F566-V570 HydrophobicContact CB-CB 3.72Å; F566-V570 HydrophobicContact CB-CG1 3.56Å; F566-V570 HydrophobicContact CB-CG2 4.32Å; F566-V570 HydrophobicContact CD1-CB 4.17Å; F566-V570 HydrophobicContact CD1-CG1 3.56Å; F566-V570 HydrophobicContact CD1-CG2 4.11Å; F566-V570 HydrophobicContact CE1-CG1 4.34Å; F566-V570 HydrophobicContact CG-CB 4.29Å; F566-V570 HydrophobicContact CG-CG1 3.67Å; S567-V570 WeakPolarHBondContact O-CA 3.34Å; S567-V570 VanDerWaalsContact O-CB 3.3Å; S567-V570 WeakPolarHBondContact O-CB 3.37Å; S567-V570 PolarHBondContact O-N 3.39Å; R568-V570 PolarHBondContact O-N 3.04Å; V570-E572 VanDerWaalsContact C-N 3.29Å; V570-E572 PolarHBondContact O-N 3.41Å; V570-L573 CarbonylContact O-C 3.4Å; V570-L573 WeakPolarHBondContact O-CB 3.48Å; V570-L573 PolarHBondContact O-N 3.31Å; V570-L574 HydrophobicContact CG1-CD1 3.87Å; V570-L574 HydrophobicContact CG1-CG 3.86Å; V570-L574 WeakPolarHBondContact O-CB 3.41Å; V570-L574 VanDerWaalsContact O-CG 3.28Å; V570-L574 WeakPolarHBondContact O-CG 3.31Å; V570-L574 PolarHBondContact O-N 2.84Å
571D51.8Low50.8Low82 Ų8283.2 Ų83.244%0.43947%0.474SS..Hα-helixtrans-58.6-40.2174.8-76.1-26.6000111.6R568 L573 L574 L575R568-D571 WeakPolarHBondContact O-CB 3.48Å; R568-D571 PolarHBondContact O-N 3.3Å; D571-L573 VanDerWaalsContact C-N 3.35Å; D571-L573 PolarHBondContact O-N 3.4Å; D571-L574 PolarHBondContact O-N 3.4Å; D571-L575 VanDerWaalsContact O-CG 3.28Å; D571-L575 WeakPolarHBondContact O-CG 3.28Å; D571-L575 PolarHBondContact O-N 3.22Å
572E51.6Low50Low151 Ų15182.7 Ų82.771%0.70647%0.474SS*.Hα-helixtrans-64.6-37.4174.4-71.5-174.517000112.8V570 L575 M576V570-E572 VanDerWaalsContact C-N 3.29Å; V570-E572 PolarHBondContact O-N 3.41Å; E572-L575 PolarHBondContact O-N 3.15Å; E572-M576 PolarHBondContact O-N 3.05Å; E572-M576 VanDerWaalsContact O-N 3.16Å
573L52.8Low50.1Low38 Ų3885 Ų8520%0.19949%0.486CS..Hα-helixtrans-71.3-37.5175.4-92.8157.7000112.1R451 V570 D571 L575 M576 Y577R451-L573 HydrophobicContact CB-CD2 4.35Å; R451-L573 HydrophobicContact CG-CD2 4.29Å; V570-L573 CarbonylContact O-C 3.4Å; V570-L573 WeakPolarHBondContact O-CB 3.48Å; V570-L573 PolarHBondContact O-N 3.31Å; D571-L573 VanDerWaalsContact C-N 3.35Å; D571-L573 PolarHBondContact O-N 3.4Å; L573-L575 VanDerWaalsContact C-N 3.32Å; L573-M576 WeakPolarHBondContact O-CB 3.36Å; L573-M576 PolarHBondContact O-N 3.46Å; L573-Y577 PolarHBondContact O-N 3.03Å
574L53.1Low51.4Low14 Ų1484.2 Ų84.27%0.07347%0.467CS..Hα-helixtrans-65.8-34.6174.1-73.7169.6000111.3F454 F566 V570 D571 Y577 N578 F580F454-L574 HydrophobicContact CD1-CD2 4.33Å; F454-L574 HydrophobicContact CE1-CD2 3.56Å; F454-L574 HydrophobicContact CZ-CD2 3.76Å; F454-L574 HydrophobicContact CZ-CG 4.3Å; F566-L574 HydrophobicContact CB-CD1 4.32Å; F566-L574 HydrophobicContact CD2-CD1 4.43Å; V570-L574 HydrophobicContact CG1-CD1 3.87Å; V570-L574 HydrophobicContact CG1-CG 3.86Å; V570-L574 WeakPolarHBondContact O-CB 3.41Å; V570-L574 VanDerWaalsContact O-CG 3.28Å; V570-L574 WeakPolarHBondContact O-CG 3.31Å; V570-L574 PolarHBondContact O-N 2.84Å; D571-L574 PolarHBondContact O-N 3.4Å; L574-Y577 CarbonylContact O-C 3.56Å; L574-Y577 PolarHBondContact O-N 2.97Å; L574-N578 PolarHBondContact O-N 2.94Å; L574-F580 HydrophobicContact CD2-CB 3.56Å
575L53.6Low52.9Low111 Ų11180.5 Ų80.558%0.58145%0.445SS*.Hα-helixtrans-65.8-39.7171.2-72.7168.7000111.5D571 E572 L573 Y577 N578D571-L575 VanDerWaalsContact O-CG 3.28Å; D571-L575 WeakPolarHBondContact O-CG 3.28Å; D571-L575 PolarHBondContact O-N 3.22Å; E572-L575 PolarHBondContact O-N 3.15Å; L573-L575 VanDerWaalsContact C-N 3.32Å; L575-Y577 VanDerWaalsContact C-N 3.29Å; L575-Y577 PolarHBondContact O-N 2.76Å; L575-N578 VanDerWaalsContact O-CG 3.32Å; L575-N578 PolarHBondContact O-N 3.25Å; L575-N578 PolarHBondContact O-OD1 2.73Å
576M49.8Very low54.8Low145 Ų14576.3 Ų76.371%0.71441%0.409SS*.Hα-helixtrans-66.2-35175.9-154.8-170.3-55.700111.8E572 L573E572-M576 PolarHBondContact O-N 3.05Å; E572-M576 VanDerWaalsContact O-N 3.16Å; L573-M576 WeakPolarHBondContact O-CB 3.36Å; L573-M576 PolarHBondContact O-N 3.46Å
577Y53.2Low56.4Low49 Ų4976.7 Ų76.719%0.19241%0.411CS..THydrogen-bonded Turntrans-10060.7169.8-74.5-95.5000110I455 K458 L573 L574 L575 S579 F580I455-Y577 VanDerWaalsContact CG1-OH 3.23Å; I455-Y577 WeakPolarHBondContact CG1-OH 3.26Å; K458-Y577 HydrophobicContact CB-CE1 4.48Å; K458-Y577 HydrophobicContact CD-CD1 3.84Å; K458-Y577 HydrophobicContact CD-CE1 3.71Å; L573-Y577 PolarHBondContact O-N 3.03Å; L574-Y577 CarbonylContact O-C 3.56Å; L574-Y577 PolarHBondContact O-N 2.97Å; L575-Y577 VanDerWaalsContact C-N 3.29Å; L575-Y577 PolarHBondContact O-N 2.76Å; Y577-S579 PolarHBondContact O-N 2.62Å; Y577-F580 PolarHBondContact O-N 3Å
578N55.3Low58Low129 Ų12973.4 Ų73.469%0.6939%0.388SS*.G310 helixtrans-34.9-24.9179.4-88.2-33.1000115.9L574 L575L574-N578 PolarHBondContact O-N 2.94Å; L575-N578 VanDerWaalsContact O-CG 3.32Å; L575-N578 PolarHBondContact O-N 3.25Å; L575-N578 PolarHBondContact O-OD1 2.73Å
579S56.3Low59.8Low45 Ų4562.9 Ų62.932%0.31535%0.348SS..G310 helixtrans-64.7-35.3176.9790000113.3Y577 S588 Q592Y577-S579 PolarHBondContact O-N 2.62Å; S579-S588 PolarHBondContact O-OG 3.01Å; S579-Q592 PolarHBondContact OG-NE2 3.49Å; S579-Q592 PolarHBondContact OG-OE1 2.85Å
580F55.3Low61.8Low3 Ų359.5 Ų59.51%0.01332%0.32CS..G310 helixtrans-98.37.9-174.7-64.6-74.8000115.5F454 L457 L574 Y577 S582 L589F454-F580 HydrophobicContact CD1-CD2 4.48Å; L457-F580 HydrophobicContact CB-CE2 4.33Å; L457-F580 HydrophobicContact CB-CZ 4.01Å; L574-F580 HydrophobicContact CD2-CB 3.56Å; Y577-F580 PolarHBondContact O-N 3Å; F580-S582 PolarHBondContact O-N 2.71Å; F580-L589 HydrophobicContact CE1-CB 3.94Å; F580-L589 HydrophobicContact CE1-CD1 3.84Å; F580-L589 HydrophobicContact CZ-CD1 3.85Å
581A50.4Low63.5Low58 Ų5860.7 Ų60.748%0.47933%0.332SS..  trans-65.29.3-173.900000116.4
582S51.1Low65Low63 Ų6358.6 Ų58.644%0.44132%0.319SS..SBendtrans-95.1145.6179.5179.60000110.9F580 Q584F580-S582 PolarHBondContact O-N 2.71Å; S582-Q584 PolarHBondContact O-N 3.47Å; S582-Q584 PolarHBondContact OG-N 2.9Å
583N59.3Low66.7Low157 Ų15751.4 Ų51.484%0.8429%0.286SS*.SBendtrans-56.1-4.1167-70-6.3000113.8
584Q70.4Confident68.3Low75 Ų7549.8 Ų49.835%0.3528%0.277SS..  trans-122.780.4177.1-64.3-177-2300110.3S582 M586 K587 S588S582-Q584 PolarHBondContact O-N 3.47Å; S582-Q584 PolarHBondContact OG-N 2.9Å; Q584-M586 VanDerWaalsContact C-N 3.3Å; Q584-M586 PolarHBondContact O-N 2.96Å; Q584-K587 HydrophobicContact CB-CB 3.81Å; Q584-K587 PolarHBondContact O-N 3.17Å; Q584-S588 PolarHBondContact O-N 3.34Å; Q584-S588 VanDerWaalsContact O-N 3.16Å
585P74.8Confident69.9Low23 Ų2351 Ų5115%0.14929%0.289CS..Hα-helixtrans-62.3-36.3-177.124-33.6000112.5V560 S588 L589V560-P585 HydrophobicContact CG1-CB 3.93Å; V560-P585 HydrophobicContact CG1-CG 3.73Å; P585-S588 PolarHBondContact O-N 3.2Å; P585-L589 WeakPolarHBondContact O-CB 3.42Å; P585-L589 PolarHBondContact O-N 3.35Å
586M81.3Confident71.4Confident6 Ų645.9 Ų45.93%0.0326%0.263CS..Hα-helixtrans-61.1-47.5176.7-17860.590.600111.5E551 C554 V560 Q584 S588 L589 L590E551-M586 HydrophobicContact CG-CE 4.21Å; E551-M586 HydrophobicContact CG-CG 4.13Å; E551-M586 HydrophobicContact CG-SD 4.23Å; E551-M586 WeakPolarHBondContact O-CE 3.38Å; C554-M586 HydrophobicContact CB-CE 4.1Å; C554-M586 HydrophobicContact CB-SD 3.98Å; V560-M586 HydrophobicContact CB-CE 4.2Å; V560-M586 HydrophobicContact CG1-CB 3.96Å; V560-M586 HydrophobicContact CG1-CE 4.47Å; Q584-M586 VanDerWaalsContact C-N 3.3Å; Q584-M586 PolarHBondContact O-N 2.96Å; M586-S588 VanDerWaalsContact C-N 3.29Å; M586-S588 PolarHBondContact O-N 3.35Å; M586-L589 WeakPolarHBondContact O-CB 3.42Å; M586-L589 PolarHBondContact O-N 2.73Å; M586-L590 HydrophobicContact CG-CD1 3.89Å; M586-L590 WeakPolarHBondContact O-CG 3.42Å; M586-L590 PolarHBondContact O-N 3.44Å; M586-L590 HydrophobicContact SD-CD1 3.98Å; M586-L590 HydrophobicContact SD-CG 4.17Å
587K79.2Confident72.9Confident64 Ų6439 Ų3928%0.27823%0.229SC..Hα-helixtrans-61-40.4179.2-172.8172.9-173.7163.40111.9Q584 A591 T648Q584-K587 HydrophobicContact CB-CB 3.81Å; Q584-K587 PolarHBondContact O-N 3.17Å; K587-A591 WeakPolarHBondContact O-CB 3.36Å; K587-A591 PolarHBondContact O-N 3.37Å; K587-T648 HydrophobicContact CB-CG2 4.2Å; K587-T648 HydrophobicContact CG-CG2 3.77Å
588S79.6Confident74.2Confident18 Ų1838.9 Ų38.913%0.12623%0.231CC..Hα-helixtrans-65.8-43.9175.1171.90000112.5S579 Q584 P585 M586 A591 Q592S579-S588 PolarHBondContact O-OG 3.01Å; Q584-S588 PolarHBondContact O-N 3.34Å; Q584-S588 VanDerWaalsContact O-N 3.16Å; P585-S588 PolarHBondContact O-N 3.2Å; M586-S588 VanDerWaalsContact C-N 3.29Å; M586-S588 PolarHBondContact O-N 3.35Å; S588-A591 PolarHBondContact O-N 3.25Å; S588-Q592 WeakPolarHBondContact O-CG 3.35Å; S588-Q592 PolarHBondContact O-N 3.25Å; S588-Q592 PolarHBondContact O-NE2 2.95Å; S588-Q592 PolarHBondContact OG-NE2 3.41Å
589L83.9Confident75.5Confident1 Ų134.8 Ų34.81%0.00521%0.213CC..Hα-helixtrans-58.6-51.4178.9-175.964.5000111L457 C554 F580 P585 M586 A591 Q592 I593L457-L589 HydrophobicContact CD2-CD1 4.31Å; L457-L589 HydrophobicContact CD2-CD2 4.1Å; C554-L589 HydrophobicContact CB-CD2 3.83Å; F580-L589 HydrophobicContact CE1-CB 3.94Å; F580-L589 HydrophobicContact CE1-CD1 3.84Å; F580-L589 HydrophobicContact CZ-CD1 3.85Å; P585-L589 WeakPolarHBondContact O-CB 3.42Å; P585-L589 PolarHBondContact O-N 3.35Å; M586-L589 WeakPolarHBondContact O-CB 3.42Å; M586-L589 PolarHBondContact O-N 2.73Å; L589-A591 VanDerWaalsContact C-N 3.33Å; L589-A591 PolarHBondContact O-N 3.07Å; L589-Q592 WeakPolarHBondContact O-CB 3.28Å; L589-Q592 PolarHBondContact O-N 3.03Å; L589-Q592 VanDerWaalsContact O-N 3.17Å; L589-I593 HydrophobicContact CD1-CD1 4.46Å; L589-I593 HydrophobicContact CG-CD1 4.05Å; L589-I593 WeakPolarHBondContact O-CG1 3.09Å; L589-I593 PolarHBondContact O-N 2.82Å
590L86.2Confident76.7Confident1 Ų133 Ų331%0.00520%0.2CC..Hα-helixtrans-65.3-37.3178.7-67.7171.2000111.8E550 E551 M586 Q592 I593 F594 T648E550-L590 HydrophobicContact CB-CD2 4Å; E550-L590 HydrophobicContact CG-CD2 3.89Å; E551-L590 HydrophobicContact CB-CD1 3.67Å; E551-L590 HydrophobicContact CB-CD2 4.4Å; E551-L590 HydrophobicContact CG-CD1 3.83Å; M586-L590 HydrophobicContact CG-CD1 3.89Å; M586-L590 WeakPolarHBondContact O-CG 3.42Å; M586-L590 PolarHBondContact O-N 3.44Å; M586-L590 HydrophobicContact SD-CD1 3.98Å; M586-L590 HydrophobicContact SD-CG 4.17Å; L590-Q592 VanDerWaalsContact C-N 3.28Å; L590-Q592 PolarHBondContact O-N 3.4Å; L590-I593 PolarHBondContact O-N 3.28Å; L590-F594 HydrophobicContact CD2-CE2 4.19Å; L590-F594 WeakPolarHBondContact O-CD2 3.44Å; L590-F594 PolarHBondContact O-N 3.48Å; L590-T648 HydrophobicContact CB-CG2 3.7Å; L590-T648 HydrophobicContact CD1-CG2 3.85Å; L590-T648 HydrophobicContact CG-CG2 4.43Å
591A84.1Confident77.7Confident42 Ų4233.6 Ų33.635%0.34720%0.202SC..Hα-helixtrans-62.7-33.9174.600000112.6K587 S588 L589 A595K587-A591 WeakPolarHBondContact O-CB 3.36Å; K587-A591 PolarHBondContact O-N 3.37Å; S588-A591 PolarHBondContact O-N 3.25Å; L589-A591 VanDerWaalsContact C-N 3.33Å; L589-A591 PolarHBondContact O-N 3.07Å; A591-A595 WeakPolarHBondContact O-CA 3.39Å; A591-A595 VanDerWaalsContact O-CB 3.28Å; A591-A595 WeakPolarHBondContact O-CB 3.36Å; A591-A595 PolarHBondContact O-N 3.25Å
592Q84.5Confident79Confident37 Ų3734.9 Ų34.917%0.17320%0.198CC..Hα-helixtrans-71.2-47.4174-74.7166.869.700111.5Q465 S579 S588 L589 L590 F594 A595Q465-Q592 PolarHBondContact NE2-O 3.3Å; S579-Q592 PolarHBondContact OG-NE2 3.49Å; S579-Q592 PolarHBondContact OG-OE1 2.85Å; S588-Q592 WeakPolarHBondContact O-CG 3.35Å; S588-Q592 PolarHBondContact O-N 3.25Å; S588-Q592 PolarHBondContact O-NE2 2.95Å; S588-Q592 PolarHBondContact OG-NE2 3.41Å; L589-Q592 WeakPolarHBondContact O-CB 3.28Å; L589-Q592 PolarHBondContact O-N 3.03Å; L589-Q592 VanDerWaalsContact O-N 3.17Å; L590-Q592 VanDerWaalsContact C-N 3.28Å; L590-Q592 PolarHBondContact O-N 3.4Å; Q592-F594 VanDerWaalsContact C-N 3.33Å; Q592-F594 PolarHBondContact O-N 3Å; Q592-A595 WeakPolarHBondContact O-CB 3.35Å; Q592-A595 PolarHBondContact O-N 3.22Å
593I86.4Confident80.3Confident0 Ų036.3 Ų36.30%020%0.198CC..Hα-helixtrans-57.5-46.9178.8-67.2168.3000110.8Y460 M464 Q465 Y468 E550 L589 L590Y460-I593 HydrophobicContact CD1-CD1 4.44Å; Y460-I593 HydrophobicContact CE1-CD1 4.14Å; M464-I593 HydrophobicContact CB-CG1 4.33Å; M464-I593 HydrophobicContact CB-CG2 3.99Å; Q465-I593 WeakPolarHBondContact CA-O 3.48Å; Y468-I593 HydrophobicContact CD2-CG2 3.39Å; Y468-I593 HydrophobicContact CE2-CG2 3.67Å; Y468-I593 HydrophobicContact CG-CG2 4.5Å; E550-I593 HydrophobicContact CG-CD1 4Å; E550-I593 HydrophobicContact CG-CG2 4.47Å; L589-I593 HydrophobicContact CD1-CD1 4.46Å; L589-I593 HydrophobicContact CG-CD1 4.05Å; L589-I593 WeakPolarHBondContact O-CG1 3.09Å; L589-I593 PolarHBondContact O-N 2.82Å; L590-I593 PolarHBondContact O-N 3.28Å
594F87.4Confident81.1Confident4 Ų429.6 Ų29.62%0.01816%0.162CC..THydrogen-bonded Turntrans-94.99.6-176.8-66.4-74.1000114.1Y468 I472 V547 E550 L590 Q592 C596 I597 I652Y468-F594 AromaticContact CD1-CE1 3.81Å; Y468-F594 HydrophobicContact CD1-CE1 3.81Å; Y468-F594 HydrophobicContact CD1-CZ 4.35Å; Y468-F594 AromaticContact CD2-CE1 3.99Å; Y468-F594 HydrophobicContact CD2-CE1 3.99Å; Y468-F594 HydrophobicContact CD2-CZ 4.12Å; Y468-F594 HydrophobicContact CE1-CE1 4.01Å; Y468-F594 HydrophobicContact CE1-CZ 4.13Å; Y468-F594 HydrophobicContact CE2-CE1 4.17Å; Y468-F594 AromaticContact CE2-CZ 3.87Å; Y468-F594 HydrophobicContact CE2-CZ 3.87Å; Y468-F594 HydrophobicContact CG-CD1 4.42Å; Y468-F594 AromaticContact CG-CE1 3.81Å; Y468-F594 HydrophobicContact CG-CE1 3.81Å; Y468-F594 HydrophobicContact CG-CZ 4.36Å; Y468-F594 AromaticContact CZ-CZ 3.88Å; I472-F594 HydrophobicContact CD1-CD1 4.23Å; I472-F594 HydrophobicContact CD1-CE1 4.47Å; V547-F594 HydrophobicContact CB-CE2 4.07Å; V547-F594 HydrophobicContact CB-CZ 4.27Å; V547-F594 HydrophobicContact CG1-CE2 4.3Å; V547-F594 HydrophobicContact CG2-CD1 4.13Å; V547-F594 HydrophobicContact CG2-CD2 3.79Å; V547-F594 HydrophobicContact CG2-CE1 3.95Å; V547-F594 HydrophobicContact CG2-CE2 3.63Å; V547-F594 HydrophobicContact CG2-CG 4.05Å; V547-F594 HydrophobicContact CG2-CZ 3.7Å; E550-F594 HydrophobicContact CB-CE2 4.12Å; E550-F594 HydrophobicContact CB-CZ 4.24Å; E550-F594 HydrophobicContact CG-CE2 4.24Å; L590-F594 HydrophobicContact CD2-CE2 4.19Å; L590-F594 WeakPolarHBondContact O-CD2 3.44Å; L590-F594 PolarHBondContact O-N 3.48Å; Q592-F594 VanDerWaalsContact C-N 3.33Å; Q592-F594 PolarHBondContact O-N 3Å; F594-C596 PolarHBondContact O-N 2.92Å; F594-I597 HydrophobicContact CB-CD1 3.89Å; F594-I597 HydrophobicContact CB-CG1 4.33Å; F594-I597 HydrophobicContact CD1-CD1 3.82Å; F594-I597 HydrophobicContact CD1-CG1 4.44Å; F594-I597 HydrophobicContact CG-CD1 4.23Å; F594-I597 WeakPolarHBondContact O-CB 3.39Å; F594-I597 WeakPolarHBondContact O-CG1 3.39Å; F594-I597 PolarHBondContact O-N 2.95Å; F594-I652 HydrophobicContact CB-CD1 3.89Å; F594-I652 HydrophobicContact CG-CD1 4.44Å
595A85.4Confident81.1Confident39 Ų3926.2 Ų26.232%0.32215%0.146SC..THydrogen-bonded Turntrans-59-22.9176.300000112.8A591 Q592 I597A591-A595 WeakPolarHBondContact O-CA 3.39Å; A591-A595 VanDerWaalsContact O-CB 3.28Å; A591-A595 WeakPolarHBondContact O-CB 3.36Å; A591-A595 PolarHBondContact O-N 3.25Å; Q592-A595 WeakPolarHBondContact O-CB 3.35Å; Q592-A595 PolarHBondContact O-N 3.22Å; A595-I597 PolarHBondContact O-N 2.86Å
596C84.5Confident81Confident4 Ų427.6 Ų27.63%0.02715%0.152CC..Hα-helixtrans-63.8-26.7175.961.60000113.3Q465 R469 F594 D598 S599 I600Q465-C596 HydrophobicContact CG-CB 4.31Å; R469-C596 HydrophobicContact CB-CB 3.7Å; R469-C596 HydrophobicContact CG-CB 3.96Å; F594-C596 PolarHBondContact O-N 2.92Å; C596-D598 VanDerWaalsContact C-N 3.31Å; C596-D598 PolarHBondContact O-N 3.48Å; C596-S599 PolarHBondContact O-N 3.47Å; C596-S599 VanDerWaalsContact O-N 3.17Å; C596-S599 PolarHBondContact O-OG 3.01Å; C596-I600 HydrophobicContact CB-CD1 4.23Å; C596-I600 VanDerWaalsContact O-CG1 3.28Å; C596-I600 WeakPolarHBondContact O-CG1 3.36Å; C596-I600 PolarHBondContact O-N 2.93Å
597I82.9Confident80.3Confident0 Ų032.6 Ų32.60%018%0.176CC..Hα-helixtrans-57.7-45-178.3-65.6-177.7000110.8I472 I543 F594 A595 S599 I600 F601 I652 L656I472-I597 HydrophobicContact CD1-CD1 4.03Å; I472-I597 HydrophobicContact CD1-CG1 3.73Å; I543-I597 HydrophobicContact CG2-CD1 3.76Å; F594-I597 HydrophobicContact CB-CD1 3.89Å; F594-I597 HydrophobicContact CB-CG1 4.33Å; F594-I597 HydrophobicContact CD1-CD1 3.82Å; F594-I597 HydrophobicContact CD1-CG1 4.44Å; F594-I597 HydrophobicContact CG-CD1 4.23Å; F594-I597 WeakPolarHBondContact O-CB 3.39Å; F594-I597 WeakPolarHBondContact O-CG1 3.39Å; F594-I597 PolarHBondContact O-N 2.95Å; A595-I597 PolarHBondContact O-N 2.86Å; I597-S599 VanDerWaalsContact C-N 3.3Å; I597-S599 PolarHBondContact O-N 3.3Å; I597-I600 PolarHBondContact O-N 3.43Å; I597-F601 HydrophobicContact CG2-CD2 3.48Å; I597-F601 VanDerWaalsContact CG2-CD2 3.48Å; I597-F601 HydrophobicContact CG2-CE2 3.67Å; I597-F601 WeakPolarHBondContact O-CD2 3.28Å; I597-F601 PolarHBondContact O-N 3Å; I597-I652 HydrophobicContact CB-CG2 4.37Å; I597-I652 HydrophobicContact CD1-CD1 4.16Å; I597-I652 HydrophobicContact CD1-CG2 4.12Å; I597-I652 HydrophobicContact CG2-CG2 3.78Å; I597-L656 HydrophobicContact CG2-CD1 4.07Å
598D79.6Confident79.6Confident47 Ų4730.2 Ų30.225%0.25117%0.167SC..Hα-helixtrans-56.2-47.8179.6-66.8-26.6000110.4C596 E602 K655C596-D598 VanDerWaalsContact C-N 3.31Å; C596-D598 PolarHBondContact O-N 3.48Å; D598-E602 WeakPolarHBondContact O-CB 3.34Å; D598-E602 PolarHBondContact O-N 3.44Å; D598-K655 WeakPolarHBondContact OD2-CD 3.4Å; D598-K655 IonicContact OD2-NZ 3.66Å; D598-K655 PolarHBondContact OD2-NZ 2.78Å
599S83.3Confident78.6Confident44 Ų4433.1 Ų33.131%0.30818%0.178SC..Hα-helixtrans-67.5-37.4179.272.70000113.5C596 I597 E602 Q603C596-S599 PolarHBondContact O-N 3.47Å; C596-S599 VanDerWaalsContact O-N 3.17Å; C596-S599 PolarHBondContact O-OG 3.01Å; I597-S599 VanDerWaalsContact C-N 3.3Å; I597-S599 PolarHBondContact O-N 3.3Å; S599-E602 PolarHBondContact O-N 3.46Å; S599-Q603 WeakPolarHBondContact O-CB 3.48Å; S599-Q603 VanDerWaalsContact O-CG 3.28Å; S599-Q603 WeakPolarHBondContact O-CG 3.35Å; S599-Q603 PolarHBondContact O-N 3.34Å
600I80.1Confident77.5Confident6 Ų639.3 Ų39.33%0.03121%0.207CC..Hα-helixtrans-70.9-42.8-179.4-66.6164.7000110.2R469 I472 S473 V476 C596 I597 Q603 F604R469-I600 HydrophobicContact CG-CD1 4.31Å; I472-I600 HydrophobicContact CB-CD1 3.92Å; I472-I600 HydrophobicContact CG2-CD1 3.82Å; I472-I600 HydrophobicContact CG2-CG2 4.34Å; S473-I600 WeakPolarHBondContact OG-CD1 3.43Å; S473-I600 WeakPolarHBondContact OG-CG1 3.36Å; V476-I600 HydrophobicContact CB-CG2 3.93Å; V476-I600 HydrophobicContact CG1-CG2 4.06Å; V476-I600 HydrophobicContact CG2-CG2 3.87Å; C596-I600 HydrophobicContact CB-CD1 4.23Å; C596-I600 VanDerWaalsContact O-CG1 3.28Å; C596-I600 WeakPolarHBondContact O-CG1 3.36Å; C596-I600 PolarHBondContact O-N 2.93Å; I597-I600 PolarHBondContact O-N 3.43Å; I600-Q603 PolarHBondContact O-N 3.21Å; I600-F604 WeakPolarHBondContact O-CB 3.27Å; I600-F604 PolarHBondContact O-N 2.98Å
601F76.6Confident75.8Confident16 Ų1644.9 Ų44.97%0.0723%0.233CC..Hα-helixtrans-65.4-39.5175.3-91.8-85.2000111.8F540 I543 I597 F604 L605 M631 L656F540-F601 HydrophobicContact CE1-CZ 4.14Å; F540-F601 HydrophobicContact CE2-CE1 4.02Å; F540-F601 AromaticContact CE2-CZ 3.63Å; F540-F601 HydrophobicContact CE2-CZ 3.63Å; F540-F601 AromaticContact CZ-CE1 3.76Å; F540-F601 HydrophobicContact CZ-CE1 3.76Å; F540-F601 HydrophobicContact CZ-CE2 4.03Å; F540-F601 AromaticContact CZ-CZ 3.28Å; F540-F601 HydrophobicContact CZ-CZ 3.28Å; I543-F601 HydrophobicContact CD1-CE2 4.34Å; I597-F601 HydrophobicContact CG2-CD2 3.48Å; I597-F601 VanDerWaalsContact CG2-CD2 3.48Å; I597-F601 HydrophobicContact CG2-CE2 3.67Å; I597-F601 WeakPolarHBondContact O-CD2 3.28Å; I597-F601 PolarHBondContact O-N 3Å; F601-F604 PolarHBondContact O-N 3.33Å; F601-L605 WeakPolarHBondContact O-CB 3.46Å; F601-L605 VanDerWaalsContact O-CG 3.27Å; F601-L605 WeakPolarHBondContact O-CG 3.3Å; F601-L605 PolarHBondContact O-N 3Å; F601-M631 HydrophobicContact CE1-CE 4.02Å; F601-L656 HydrophobicContact CB-CD2 3.48Å; F601-L656 VanDerWaalsContact CB-CD2 3.48Å; F601-L656 HydrophobicContact CD1-CD2 4.26Å; F601-L656 HydrophobicContact CD2-CD1 3.8Å; F601-L656 HydrophobicContact CD2-CD2 3.81Å; F601-L656 HydrophobicContact CD2-CG 4.49Å; F601-L656 HydrophobicContact CE2-CD1 3.81Å; F601-L656 HydrophobicContact CG-CD1 4.17Å; F601-L656 HydrophobicContact CG-CD2 3.59Å; F601-L656 HydrophobicContact CZ-CD1 4.2Å
602E78.1Confident74Confident85 Ų8544 Ų4440%0.39722%0.222SC..Hα-helixtrans-64-41.9174.6-175.8162.5-152.200112D598 S599 L605 N606 L659 R663D598-E602 WeakPolarHBondContact O-CB 3.34Å; D598-E602 PolarHBondContact O-N 3.44Å; S599-E602 PolarHBondContact O-N 3.46Å; E602-L605 PolarHBondContact O-N 2.79Å; E602-N606 WeakPolarHBondContact O-CB 3.43Å; E602-N606 PolarHBondContact O-N 3.19Å; E602-N606 PolarHBondContact O-ND2 3.43Å; E602-N606 VanDerWaalsContact O-ND2 3.17Å; E602-L659 HydrophobicContact CB-CD2 4.21Å; E602-R663 IonicContact OE1-NH2 3.57Å; E602-R663 PolarHBondContact OE1-NH2 3.48Å
603Q79.1Confident72Confident93 Ų9345.5 Ų45.544%0.43524%0.237SC..Hα-helixtrans-61.3-46.1172.3-76.5178.2-600111.8S599 I600 L605 N606 E607S599-Q603 WeakPolarHBondContact O-CB 3.48Å; S599-Q603 VanDerWaalsContact O-CG 3.28Å; S599-Q603 WeakPolarHBondContact O-CG 3.35Å; S599-Q603 PolarHBondContact O-N 3.34Å; I600-Q603 PolarHBondContact O-N 3.21Å; Q603-L605 VanDerWaalsContact C-N 3.34Å; Q603-L605 PolarHBondContact O-N 2.58Å; Q603-N606 CarbonylContact O-C 3.54Å; Q603-N606 PolarHBondContact O-N 3.35Å; Q603-N606 VanDerWaalsContact O-N 3.15Å; Q603-E607 WeakPolarHBondContact O-CB 3.27Å; Q603-E607 WeakPolarHBondContact O-CG 3.35Å; Q603-E607 PolarHBondContact O-N 3.43Å
604F74.8Confident69.9Low16 Ų1653.2 Ų53.27%0.0728%0.277CS..Hα-helixtrans-58.6-44.6176.8172.1-108.2000112.1V476 V483 I600 F601 E607 C608 L627V476-F604 HydrophobicContact CG1-CB 3.74Å; V476-F604 HydrophobicContact CG1-CD2 3.81Å; V476-F604 HydrophobicContact CG1-CG 3.78Å; V483-F604 HydrophobicContact CG1-CZ 4.37Å; I600-F604 WeakPolarHBondContact O-CB 3.27Å; I600-F604 PolarHBondContact O-N 2.98Å; F601-F604 PolarHBondContact O-N 3.33Å; F604-E607 PolarHBondContact O-N 2.92Å; F604-C608 VanDerWaalsContact CE2-SG 3.51Å; F604-C608 VanDerWaalsContact CZ-SG 3.55Å; F604-C608 WeakPolarHBondContact O-CB 3.48Å; F604-C608 PolarHBondContact O-N 2.82Å; F604-C608 PolarHBondContact O-SG 3.35Å; F604-L627 HydrophobicContact CE1-CD2 4.47Å
605L72.3Confident67.6Low4 Ų457 Ų572%0.02130%0.297CS..Hα-helixtrans-63.4-42.6175.5-69.7172.9000111.3F601 E602 Q603 C608 E609 L659 L660F601-L605 WeakPolarHBondContact O-CB 3.46Å; F601-L605 VanDerWaalsContact O-CG 3.27Å; F601-L605 WeakPolarHBondContact O-CG 3.3Å; F601-L605 PolarHBondContact O-N 3Å; E602-L605 PolarHBondContact O-N 2.79Å; Q603-L605 VanDerWaalsContact C-N 3.34Å; Q603-L605 PolarHBondContact O-N 2.58Å; L605-C608 PolarHBondContact O-N 2.9Å; L605-E609 WeakPolarHBondContact O-CG 3.48Å; L605-E609 PolarHBondContact O-N 3.14Å; L605-L659 HydrophobicContact CD1-CD2 4.13Å; L605-L659 HydrophobicContact CD1-CG 4.42Å; L605-L660 HydrophobicContact CD1-CD2 3.89Å; L605-L660 HydrophobicContact CD2-CD2 3.93Å
606N72Confident65.4Low52 Ų5262.9 Ų62.928%0.27831%0.311SS..Hα-helixtrans-65.5-40.4176.5-69.7-26.4000112.5E602 Q603 E609 Q610 R663E602-N606 WeakPolarHBondContact O-CB 3.43Å; E602-N606 PolarHBondContact O-N 3.19Å; E602-N606 PolarHBondContact O-ND2 3.43Å; E602-N606 VanDerWaalsContact O-ND2 3.17Å; Q603-N606 CarbonylContact O-C 3.54Å; Q603-N606 PolarHBondContact O-N 3.35Å; Q603-N606 VanDerWaalsContact O-N 3.15Å; N606-E609 WeakPolarHBondContact O-CB 3.22Å; N606-E609 PolarHBondContact O-N 3.48Å; N606-Q610 WeakPolarHBondContact O-CB 3.22Å; N606-Q610 WeakPolarHBondContact O-CG 3.26Å; N606-Q610 PolarHBondContact O-N 3.14Å; N606-R663 PolarHBondContact OD1-NH1 3.12Å; N606-R663 PolarHBondContact OD1-NH2 2.77Å
607E67.3Low63.4Low112 Ų11269.3 Ų69.352%0.52334%0.339SS..Hα-helixtrans-63.8-42.9175-76.9-179.3177.800110.8Q603 F604 E609 Q610 H611Q603-E607 WeakPolarHBondContact O-CB 3.27Å; Q603-E607 WeakPolarHBondContact O-CG 3.35Å; Q603-E607 PolarHBondContact O-N 3.43Å; F604-E607 PolarHBondContact O-N 2.92Å; E607-E609 VanDerWaalsContact C-N 3.31Å; E607-E609 PolarHBondContact O-N 2.89Å; E607-Q610 PolarHBondContact O-N 2.8Å; E607-H611 VanDerWaalsContact O-CB 3.26Å; E607-H611 WeakPolarHBondContact O-CB 3.4Å; E607-H611 PolarHBondContact O-N 3.34Å
608C62.5Low61.3Low14 Ų1475.7 Ų75.710%0.09537%0.366CS..Hα-helixtrans-60.2-41.9173-690000110.9F604 L605 N612 M624 L627F604-C608 VanDerWaalsContact CE2-SG 3.51Å; F604-C608 VanDerWaalsContact CZ-SG 3.55Å; F604-C608 WeakPolarHBondContact O-CB 3.48Å; F604-C608 PolarHBondContact O-N 2.82Å; F604-C608 PolarHBondContact O-SG 3.35Å; L605-C608 PolarHBondContact O-N 2.9Å; C608-N612 WeakPolarHBondContact O-CB 3.46Å; C608-N612 PolarHBondContact O-N 3.23Å; C608-N612 PolarHBondContact O-ND2 3.3Å; C608-M624 HydrophobicContact CB-CE 3.64Å; C608-M624 HydrophobicContact CB-SD 3.52Å; C608-M624 VanDerWaalsContact CB-SD 3.52Å; C608-L627 HydrophobicContact CB-CD2 3.92Å
609E60.5Low59.3Low79 Ų7975.8 Ų75.837%0.36937%0.366SS..Hα-helixtrans-63.5-44.9175.4-73.8178.2-175.100112L605 N606 E607 N612 S613 M624 R663L605-E609 WeakPolarHBondContact O-CG 3.48Å; L605-E609 PolarHBondContact O-N 3.14Å; N606-E609 WeakPolarHBondContact O-CB 3.22Å; N606-E609 PolarHBondContact O-N 3.48Å; E607-E609 VanDerWaalsContact C-N 3.31Å; E607-E609 PolarHBondContact O-N 2.89Å; E609-N612 PolarHBondContact O-N 2.96Å; E609-S613 PolarHBondContact O-N 3.48Å; E609-M624 HydrophobicContact CB-CE 4.19Å; E609-M624 HydrophobicContact CG-CE 3.34Å; E609-M624 HydrophobicContact CG-CG 4.31Å; E609-M624 HydrophobicContact CG-SD 4.29Å; E609-M624 PolarHBondContact N-SD 3.03Å; E609-R663 IonicContact OE1-CZ 3.11Å; E609-R663 IonicContact OE1-NH1 2.63Å; E609-R663 PolarHBondContact OE1-NH1 2.78Å; E609-R663 IonicContact OE2-NH1 3.11Å; E609-R663 PolarHBondContact OE2-NH1 2.93Å; E609-R663 VanDerWaalsContact OE2-NH1 3.1Å
610Q59.1Low57.3Low131 Ų13174.2 Ų74.261%0.61236%0.355SS*.Hα-helixtrans-70.7-44.5-177.9-75-178.21400112.9N606 E607 N612 S613 L614N606-Q610 WeakPolarHBondContact O-CB 3.22Å; N606-Q610 WeakPolarHBondContact O-CG 3.26Å; N606-Q610 PolarHBondContact O-N 3.14Å; E607-Q610 PolarHBondContact O-N 2.8Å; Q610-N612 PolarHBondContact O-N 3.11Å; Q610-S613 WeakPolarHBondContact O-CB 3.1Å; Q610-S613 PolarHBondContact O-N 2.9Å; Q610-S613 PolarHBondContact O-OG 3.46Å; Q610-L614 PolarHBondContact O-N 2.84Å
611H51.4Low55.6Low118 Ų11878.6 Ų78.655%0.54637%0.371SS..Hα-helixtrans-58.8-37.2176.8-16680000110.7E607E607-H611 VanDerWaalsContact O-CB 3.26Å; E607-H611 WeakPolarHBondContact O-CB 3.4Å; E607-H611 PolarHBondContact O-N 3.34Å
612N46.1Very low54.3Low22 Ų2278.5 Ų78.512%0.11837%0.373CS..Hα-helixtrans-71.5-32.2172.4-81.9-57.6000112.9C608 E609 Q610 L614 L615 T620 S623 M624C608-N612 WeakPolarHBondContact O-CB 3.46Å; C608-N612 PolarHBondContact O-N 3.23Å; C608-N612 PolarHBondContact O-ND2 3.3Å; E609-N612 PolarHBondContact O-N 2.96Å; Q610-N612 PolarHBondContact O-N 3.11Å; N612-L614 VanDerWaalsContact C-N 3.33Å; N612-L614 PolarHBondContact O-N 2.97Å; N612-L615 CarbonylContact O-C 3.59Å; N612-L615 PolarHBondContact O-N 3.43Å; N612-T620 HydrophobicContact CB-CG2 4.09Å; N612-T620 WeakPolarHBondContact O-CB 3.11Å; N612-T620 WeakPolarHBondContact O-CG2 3.23Å; N612-T620 PolarHBondContact O-OG1 3.06Å; N612-T620 VanDerWaalsContact O-OG1 3.12Å; N612-S623 PolarHBondContact OD1-OG 3.48Å; N612-S623 VanDerWaalsContact OD1-OG 3.06Å; N612-M624 HydrophobicContact CB-CG 4.13Å; N612-M624 PolarHBondContact ND2-SD 2.9Å
613S43.4Very low53.1Low69 Ų6974.9 Ų74.948%0.48336%0.357SS..Hα-helixtrans-64.2-33.4179.378.70000114.3E609 Q610 L615E609-S613 PolarHBondContact O-N 3.48Å; Q610-S613 WeakPolarHBondContact O-CB 3.1Å; Q610-S613 PolarHBondContact O-N 2.9Å; Q610-S613 PolarHBondContact O-OG 3.46Å; S613-L615 VanDerWaalsContact C-N 3.25Å; S613-L615 PolarHBondContact O-N 3.37Å
614L42.5Very low52Low162 Ų16271.2 Ų71.285%0.84834%0.34SS*.Hα-helixtrans-66.4-30.2178.7-124.4146.3000111.4Q610 N612 R616Q610-L614 PolarHBondContact O-N 2.84Å; N612-L614 VanDerWaalsContact C-N 3.33Å; N612-L614 PolarHBondContact O-N 2.97Å; L614-R616 VanDerWaalsContact C-N 3.34Å; L614-R616 PolarHBondContact O-N 3.24Å; L614-R616 VanDerWaalsContact O-N 3.15Å
615L39Very low51.4Low83 Ų8370.7 Ų70.744%0.43534%0.338SS..THydrogen-bonded Turntrans-85.872.5169.8-76.5143.6000110.1P489 N612 S613 T620P489-L615 HydrophobicContact CB-CD1 3.71Å; P489-L615 HydrophobicContact CG-CD1 3.76Å; N612-L615 CarbonylContact O-C 3.59Å; N612-L615 PolarHBondContact O-N 3.43Å; S613-L615 VanDerWaalsContact C-N 3.25Å; S613-L615 PolarHBondContact O-N 3.37Å; L615-T620 HydrophobicContact CB-CG2 3.72Å; L615-T620 WeakPolarHBondContact O-CB 3.49Å; L615-T620 WeakPolarHBondContact O-CG2 3.21Å; L615-T620 PolarHBondContact O-OG1 2.85Å
616R38.6Very low50.9Low164 Ų16471.7 Ų71.762%0.61934%0.341SS*.THydrogen-bonded Turntrans44.975.3159.9-138176.9-156.7-142.33.5116.4L614 K618L614-R616 VanDerWaalsContact C-N 3.34Å; L614-R616 PolarHBondContact O-N 3.24Å; L614-R616 VanDerWaalsContact O-N 3.15Å; R616-K618 VanDerWaalsContact C-N 3.29Å; R616-K618 PolarHBondContact O-N 3.47Å
617K42.1Very low50.6Low139 Ų13969.6 Ų69.660%0.60433%0.33SS*.THydrogen-bonded Turntrans19.8-34.2160.4-68.3-171.5178-175.30123.4
618K39.4Very low50.8Low133 Ų13364.7 Ų64.758%0.57831%0.308SS*.THydrogen-bonded Turntrans-95.2-46.7-171.8-78.2-171.4176.2-173.80114.5R616 M681R616-K618 VanDerWaalsContact C-N 3.29Å; R616-K618 PolarHBondContact O-N 3.47Å; K618-M681 VanDerWaalsContact O-SD 3.39Å
619I37.4Very low51.1Low49 Ų4964.2 Ų64.225%0.25130%0.304SS..SBendtrans-87.8-22.7-175.3-80.3148.2000112.7L493 R621 C622 Q720L493-I619 HydrophobicContact CD1-CD1 3.97Å; L493-I619 HydrophobicContact CD2-CD1 3.65Å; L493-I619 HydrophobicContact CG-CD1 3.77Å; I619-R621 VanDerWaalsContact C-N 3.35Å; I619-R621 PolarHBondContact O-N 3.49Å; I619-C622 WeakPolarHBondContact O-CB 3.35Å; I619-C622 PolarHBondContact O-N 2.89Å; I619-Q720 PolarHBondContact O-OE1 3.22Å
620T39.9Very low51.7Low12 Ų1260.6 Ų60.67%0.07429%0.287CS..Hα-helixtrans-77.4-14.6-175.627.80000115.5N612 L615 C622 S623N612-T620 HydrophobicContact CB-CG2 4.09Å; N612-T620 WeakPolarHBondContact O-CB 3.11Å; N612-T620 WeakPolarHBondContact O-CG2 3.23Å; N612-T620 PolarHBondContact O-OG1 3.06Å; N612-T620 VanDerWaalsContact O-OG1 3.12Å; L615-T620 HydrophobicContact CB-CG2 3.72Å; L615-T620 WeakPolarHBondContact O-CB 3.49Å; L615-T620 WeakPolarHBondContact O-CG2 3.21Å; L615-T620 PolarHBondContact O-OG1 2.85Å; T620-C622 VanDerWaalsContact C-N 3.28Å; T620-S623 PolarHBondContact O-OG 2.89Å
621R44.5Very low52.5Low97 Ų9754.8 Ų54.837%0.36626%0.26SS..Hα-helixtrans-71.1-26.1169.7-94.1179.4166.6156.30.2112.6I619 C625 F667 M681I619-R621 VanDerWaalsContact C-N 3.35Å; I619-R621 PolarHBondContact O-N 3.49Å; R621-C625 PolarHBondContact O-N 3.35Å; R621-F667 HydrophobicContact CB-CE2 4.26Å; R621-F667 WeakPolarHBondContact O-CE2 3.36Å; R621-M681 HydrophobicContact CB-CE 3.59Å
622C50.3Low53.7Low15 Ų1549.2 Ų49.210%0.10123%0.234CC..Hα-helixtrans-73.9-39.7179.2-152.90000111.6I619 T620 M624 C625 R626I619-C622 WeakPolarHBondContact O-CB 3.35Å; I619-C622 PolarHBondContact O-N 2.89Å; T620-C622 VanDerWaalsContact C-N 3.28Å; C622-M624 VanDerWaalsContact C-N 3.31Å; C622-M624 PolarHBondContact O-N 3.23Å; C622-C625 PolarHBondContact O-N 2.99Å; C622-R626 WeakPolarHBondContact O-CG 3.41Å; C622-R626 PolarHBondContact O-N 2.97Å
623S53.6Low55.1Low9 Ų948.3 Ų48.36%0.06323%0.23CC..Hα-helixtrans-60.8-38.4175.151.10000112.6N612 T620 R626 L627N612-S623 PolarHBondContact OD1-OG 3.48Å; N612-S623 VanDerWaalsContact OD1-OG 3.06Å; T620-S623 PolarHBondContact O-OG 2.89Å; S623-R626 WeakPolarHBondContact O-CB 3.26Å; S623-R626 PolarHBondContact O-N 3.28Å; S623-L627 PolarHBondContact O-N 3.29Å; S623-L627 VanDerWaalsContact O-N 3.07Å
624M56.2Low56.6Low16 Ų1645.1 Ų45.18%0.07921%0.208CC..Hα-helixtrans-65.6-43.8173.8-76.3-57.3-59.800112.9C608 E609 N612 C622 R626 L627 V628C608-M624 HydrophobicContact CB-CE 3.64Å; C608-M624 HydrophobicContact CB-SD 3.52Å; C608-M624 VanDerWaalsContact CB-SD 3.52Å; E609-M624 HydrophobicContact CB-CE 4.19Å; E609-M624 HydrophobicContact CG-CE 3.34Å; E609-M624 HydrophobicContact CG-CG 4.31Å; E609-M624 HydrophobicContact CG-SD 4.29Å; E609-M624 PolarHBondContact N-SD 3.03Å; N612-M624 HydrophobicContact CB-CG 4.13Å; N612-M624 PolarHBondContact ND2-SD 2.9Å; C622-M624 VanDerWaalsContact C-N 3.31Å; C622-M624 PolarHBondContact O-N 3.23Å; M624-R626 PolarHBondContact O-N 2.99Å; M624-L627 PolarHBondContact O-N 3.17Å; M624-V628 WeakPolarHBondContact O-CG2 3.49Å; M624-V628 PolarHBondContact O-N 3.49Å
625C60.7Low58.3Low5 Ų537.5 Ų37.53%0.03417%0.168CC..Hα-helixtrans-60.5-38.3176.1-167.70000111.1R621 C622 V628 V629 F667 F722R621-C625 PolarHBondContact O-N 3.35Å; C622-C625 PolarHBondContact O-N 2.99Å; C625-V628 PolarHBondContact O-N 2.83Å; C625-V629 VanDerWaalsContact O-CB 3.31Å; C625-V629 WeakPolarHBondContact O-CB 3.45Å; C625-V629 WeakPolarHBondContact O-CG2 3.38Å; C625-V629 PolarHBondContact O-N 3.32Å; C625-F667 HydrophobicContact CB-CD1 4.09Å; C625-F667 HydrophobicContact CB-CD2 4.36Å; C625-F667 HydrophobicContact CB-CE1 3.62Å; C625-F667 HydrophobicContact CB-CE2 3.91Å; C625-F667 HydrophobicContact CB-CG 4.45Å; C625-F667 HydrophobicContact CB-CZ 3.52Å; C625-F667 VanDerWaalsContact SG-CD1 3.54Å; C625-F667 WeakPolarHBondContact SG-CE1 3.28Å; C625-F722 HydrophobicContact CB-CE2 4.02Å; C625-F722 WeakPolarHBondContact SG-CE2 3.39Å
626R61.7Low60.2Low25 Ų2534.2 Ų34.29%0.09415%0.152CC..Hα-helixtrans-57.2-54.1172.3-63.4168.1-169-167.2-16.9111.3F487 C622 S623 M624 V628 V629 Y630 Q720 E725F487-R626 HydrophobicContact CD1-CB 4.34Å; F487-R626 HydrophobicContact CE1-CB 4.05Å; C622-R626 WeakPolarHBondContact O-CG 3.41Å; C622-R626 PolarHBondContact O-N 2.97Å; S623-R626 WeakPolarHBondContact O-CB 3.26Å; S623-R626 PolarHBondContact O-N 3.28Å; M624-R626 PolarHBondContact O-N 2.99Å; R626-V628 VanDerWaalsContact C-N 3.3Å; R626-V628 PolarHBondContact O-N 3.42Å; R626-V629 PolarHBondContact O-N 3.07Å; R626-Y630 HydrophobicContact CB-CD2 4.4Å; R626-Y630 VanDerWaalsContact O-CD2 3.22Å; R626-Y630 WeakPolarHBondContact O-CD2 3.36Å; R626-Y630 PolarHBondContact O-N 3.43Å; R626-Q720 VanDerWaalsContact NH2-CD 3.34Å; R626-E725 WeakPolarHBondContact CG-OE2 3.38Å; R626-E725 VanDerWaalsContact CZ-CD 3.48Å; R626-E725 IonicContact CZ-OE1 3.66Å; R626-E725 IonicContact CZ-OE2 3.59Å; R626-E725 VanDerWaalsContact NE-CD 3.33Å; R626-E725 IonicContact NE-OE1 3.56Å; R626-E725 PolarHBondContact NE-OE1 3.25Å; R626-E725 IonicContact NE-OE2 2.73Å; R626-E725 PolarHBondContact NE-OE2 2.92Å; R626-E725 IonicContact NH1-OE1 3.69Å; R626-E725 IonicContact NH2-OE1 3.89Å; R626-E725 PolarHBondContact NH2-OE1 3.37Å; R626-E725 IonicContact NH2-OE2 3.88Å; R626-E725 PolarHBondContact NH2-OE2 2.8Å
627L66.7Low61.9Low7 Ų729 Ų294%0.03714%0.136CC..Hα-helixtrans-55.5-48.7-179.2-177.770.2000110.9V483 F532 F604 C608 S623 M624 V629 Y630 M631V483-L627 HydrophobicContact CG1-CD1 3.42Å; V483-L627 VanDerWaalsContact CG1-CD1 3.42Å; F532-L627 HydrophobicContact CE2-CD1 3.72Å; F532-L627 HydrophobicContact CZ-CD1 3.5Å; F604-L627 HydrophobicContact CE1-CD2 4.47Å; C608-L627 HydrophobicContact CB-CD2 3.92Å; S623-L627 PolarHBondContact O-N 3.29Å; S623-L627 VanDerWaalsContact O-N 3.07Å; M624-L627 PolarHBondContact O-N 3.17Å; L627-V629 VanDerWaalsContact C-N 3.35Å; L627-V629 PolarHBondContact O-N 3.2Å; L627-Y630 PolarHBondContact O-N 2.81Å; L627-M631 HydrophobicContact CD1-CG 4.25Å; L627-M631 HydrophobicContact CG-CG 4.27Å; L627-M631 VanDerWaalsContact O-CB 3.26Å; L627-M631 WeakPolarHBondContact O-CB 3.15Å; L627-M631 WeakPolarHBondContact O-CG 3.38Å; L627-M631 PolarHBondContact O-N 2.9Å
628V70.2Confident63.4Low9 Ų924.2 Ų24.26%0.05511%0.114CC..Hα-helixtrans-60.7-43.7179.2173.50000111.4M624 C625 R626 L632 L660 F664M624-V628 WeakPolarHBondContact O-CG2 3.49Å; M624-V628 PolarHBondContact O-N 3.49Å; C625-V628 PolarHBondContact O-N 2.83Å; R626-V628 VanDerWaalsContact C-N 3.3Å; R626-V628 PolarHBondContact O-N 3.42Å; V628-L632 WeakPolarHBondContact O-CB 3.38Å; V628-L632 PolarHBondContact O-N 3.15Å; V628-L660 HydrophobicContact CG1-CD2 4.32Å; V628-F664 HydrophobicContact CG1-CB 3.93Å
629V70.8Confident65.1Low4 Ų419.4 Ų19.42%0.02410%0.099CC..Hα-helixtrans-65-49.9179.8165.70000111.4C625 R626 L627 M631 L632 C633 F664 L726 A729 Y730C625-V629 VanDerWaalsContact O-CB 3.31Å; C625-V629 WeakPolarHBondContact O-CB 3.45Å; C625-V629 WeakPolarHBondContact O-CG2 3.38Å; C625-V629 PolarHBondContact O-N 3.32Å; R626-V629 PolarHBondContact O-N 3.07Å; L627-V629 VanDerWaalsContact C-N 3.35Å; L627-V629 PolarHBondContact O-N 3.2Å; V629-M631 PolarHBondContact O-N 3.38Å; V629-L632 PolarHBondContact O-N 2.93Å; V629-C633 PolarHBondContact O-N 3.42Å; V629-C633 PolarHBondContact O-SG 3.07Å; V629-F664 HydrophobicContact CG2-CD2 3.83Å; V629-F664 HydrophobicContact CG2-CE2 3.57Å; V629-L726 HydrophobicContact CB-CD2 4.47Å; V629-L726 HydrophobicContact CG1-CD2 4.14Å; V629-L726 HydrophobicContact CG2-CD2 3.6Å; V629-A729 HydrophobicContact CG1-CB 3.54Å; V629-Y730 HydrophobicContact CG1-CD2 4.17Å; V629-Y730 HydrophobicContact CG1-CE2 3.57Å
630Y72.4Confident66.7Low4 Ų420.3 Ų20.32%0.01611%0.114CC..Hα-helixtrans-66.7-38.4179.9-77.2-82.5000111.8F487 L524 K529 F532 F533 R626 L627 C633 A634 A729F487-Y630 HydrophobicContact CE1-CD2 4.04Å; F487-Y630 HydrophobicContact CZ-CD2 4.09Å; F487-Y630 HydrophobicContact CZ-CG 4.36Å; L524-Y630 HydrophobicContact CD1-CD2 4.06Å; L524-Y630 HydrophobicContact CD1-CE1 4.46Å; L524-Y630 HydrophobicContact CD1-CE2 3.57Å; K529-Y630 HydrophobicContact CD-CE1 3.99Å; K529-Y630 WeakPolarHBondContact CE-OH 3.31Å; K529-Y630 HydrophobicContact CG-CE1 4Å; K529-Y630 PolarHBondContact NZ-OH 3.13Å; F532-Y630 HydrophobicContact CD1-CG 4.46Å; F532-Y630 HydrophobicContact CE1-CG 4.42Å; F533-Y630 AromaticContact CE2-CD1 3.78Å; F533-Y630 HydrophobicContact CE2-CD1 3.78Å; F533-Y630 HydrophobicContact CE2-CE1 4.14Å; F533-Y630 AromaticContact CZ-CD1 3.62Å; F533-Y630 HydrophobicContact CZ-CD1 3.62Å; F533-Y630 HydrophobicContact CZ-CE1 4.29Å; R626-Y630 HydrophobicContact CB-CD2 4.4Å; R626-Y630 VanDerWaalsContact O-CD2 3.22Å; R626-Y630 WeakPolarHBondContact O-CD2 3.36Å; R626-Y630 PolarHBondContact O-N 3.43Å; L627-Y630 PolarHBondContact O-N 2.81Å; Y630-C633 PolarHBondContact O-N 3.28Å; Y630-A634 WeakPolarHBondContact O-CB 3.29Å; Y630-A634 PolarHBondContact O-N 3.44Å; Y630-A729 HydrophobicContact CD1-CB 4.37Å; Y630-A729 HydrophobicContact CE1-CB 4Å; Y630-A729 HydrophobicContact CE2-CB 4.37Å
631M74.9Confident68.1Low8 Ų825.4 Ų25.44%0.03915%0.145CC..Hα-helixtrans-60.8-45.7171.8-71.6-70.4-62.100111F532 I536 F540 F601 L627 V629 A634 L635 L660F532-M631 HydrophobicContact CE1-CG 4.42Å; F532-M631 HydrophobicContact CE1-SD 4.39Å; F532-M631 HydrophobicContact CE2-SD 4.38Å; F532-M631 HydrophobicContact CZ-CG 3.87Å; F532-M631 HydrophobicContact CZ-SD 3.68Å; I536-M631 HydrophobicContact CD1-CG 4.35Å; I536-M631 HydrophobicContact CD1-SD 3.35Å; I536-M631 WeakPolarHBondContact CD1-SD 3.15Å; I536-M631 HydrophobicContact CG1-SD 3.58Å; I536-M631 VanDerWaalsContact CG1-SD 3.58Å; F540-M631 HydrophobicContact CE2-CE 4.49Å; F601-M631 HydrophobicContact CE1-CE 4.02Å; L627-M631 HydrophobicContact CD1-CG 4.25Å; L627-M631 HydrophobicContact CG-CG 4.27Å; L627-M631 VanDerWaalsContact O-CB 3.26Å; L627-M631 WeakPolarHBondContact O-CB 3.15Å; L627-M631 WeakPolarHBondContact O-CG 3.38Å; L627-M631 PolarHBondContact O-N 2.9Å; V629-M631 PolarHBondContact O-N 3.38Å; M631-A634 PolarHBondContact O-N 3.4Å; M631-L635 WeakPolarHBondContact O-CG 3.41Å; M631-L635 PolarHBondContact O-N 2.76Å; M631-L660 HydrophobicContact CB-CD1 3.74Å; M631-L660 HydrophobicContact CB-CD2 4.18Å
632L76.3Confident69Low1 Ų123 Ų231%0.00514%0.143CC..Hα-helixtrans-62.3-45.2-180-176.664.2000110.8V628 V629 C636 V657 L660 K661 Y730V628-L632 WeakPolarHBondContact O-CB 3.38Å; V628-L632 PolarHBondContact O-N 3.15Å; V629-L632 PolarHBondContact O-N 2.93Å; L632-C636 VanDerWaalsContact O-CB 3.23Å; L632-C636 WeakPolarHBondContact O-CB 3.39Å; L632-C636 PolarHBondContact O-N 3.5Å; L632-C636 PolarHBondContact O-SG 2.93Å; L632-V657 HydrophobicContact CD1-CG1 4.05Å; L632-L660 HydrophobicContact CD1-CB 4.03Å; L632-K661 HydrophobicContact CD1-CB 4.45Å; L632-Y730 WeakPolarHBondContact CD2-OH 3.25Å
633C76Confident69.2Low4 Ų431.4 Ų31.43%0.02718%0.181CC..Hα-helixtrans-58-50.1173.9-68.50000111.6F533 V629 Y630 L635 C636 D637F533-C633 HydrophobicContact CE1-CB 4.28Å; F533-C633 HydrophobicContact CZ-CB 4.42Å; V629-C633 PolarHBondContact O-N 3.42Å; V629-C633 PolarHBondContact O-SG 3.07Å; Y630-C633 PolarHBondContact O-N 3.28Å; C633-L635 PolarHBondContact O-N 3.47Å; C633-C636 PolarHBondContact O-N 3.42Å; C633-D637 VanDerWaalsContact O-CG 3.27Å; C633-D637 PolarHBondContact O-N 3.17Å
634A76Confident69.3Low2 Ų236.4 Ų36.42%0.01721%0.207CC..Hα-helixtrans-59.5-46.1-178.500000112.5F533 I536 Y630 M631 D637 R638F533-A634 HydrophobicContact CD1-CB 3.68Å; F533-A634 HydrophobicContact CE1-CB 3.81Å; I536-A634 HydrophobicContact CB-CB 4.41Å; I536-A634 HydrophobicContact CD1-CB 3.77Å; I536-A634 HydrophobicContact CG2-CB 4.03Å; Y630-A634 WeakPolarHBondContact O-CB 3.29Å; Y630-A634 PolarHBondContact O-N 3.44Å; M631-A634 PolarHBondContact O-N 3.4Å; A634-D637 PolarHBondContact O-N 3.35Å; A634-R638 PolarHBondContact O-N 2.62Å; A634-R638 VanDerWaalsContact O-N 3.12Å
635L78.3Confident69.3Low1 Ų138.4 Ų38.41%0.00523%0.232CC..Hα-helixtrans-73.9-32.5-179.3-62.3-172.1000112.8I536 F540 M631 C633 R638 A639 T653 L656 V657 L660I536-L635 HydrophobicContact CG2-CD2 4.18Å; F540-L635 HydrophobicContact CD1-CD2 4.09Å; F540-L635 HydrophobicContact CD2-CD2 3.73Å; F540-L635 HydrophobicContact CE1-CD1 4.48Å; F540-L635 HydrophobicContact CE1-CD2 3.78Å; F540-L635 HydrophobicContact CE2-CD1 4.41Å; F540-L635 HydrophobicContact CE2-CD2 3.42Å; F540-L635 VanDerWaalsContact CE2-CD2 3.42Å; F540-L635 HydrophobicContact CE2-CG 4.45Å; F540-L635 HydrophobicContact CG-CD2 4.06Å; F540-L635 HydrophobicContact CZ-CD1 3.88Å; F540-L635 HydrophobicContact CZ-CD2 3.42Å; F540-L635 VanDerWaalsContact CZ-CD2 3.42Å; F540-L635 HydrophobicContact CZ-CG 4.3Å; M631-L635 WeakPolarHBondContact O-CG 3.41Å; M631-L635 PolarHBondContact O-N 2.76Å; C633-L635 PolarHBondContact O-N 3.47Å; L635-R638 PolarHBondContact O-N 3.31Å; L635-A639 WeakPolarHBondContact O-CB 3.44Å; L635-A639 PolarHBondContact O-N 3.35Å; L635-T653 HydrophobicContact CB-CG2 4.34Å; L635-L656 HydrophobicContact CD1-CB 4.07Å; L635-V657 HydrophobicContact CB-CG2 3.57Å; L635-L660 HydrophobicContact CD1-CD1 3.63Å; L635-L660 HydrophobicContact CG-CD1 4.45Å
636C77.6Confident69.3Low15 Ų1542.8 Ų42.810%0.10126%0.259CS..Hα-helixtrans-66-40.8172.8-76.60000112.1L632 C633 A639 A640L632-C636 VanDerWaalsContact O-CB 3.23Å; L632-C636 WeakPolarHBondContact O-CB 3.39Å; L632-C636 PolarHBondContact O-N 3.5Å; L632-C636 PolarHBondContact O-SG 2.93Å; C633-C636 PolarHBondContact O-N 3.42Å; C636-A639 PolarHBondContact O-N 2.87Å; C636-A640 PolarHBondContact O-N 2.95Å; C636-A640 VanDerWaalsContact O-N 3.1Å
637D75.1Confident69.7Low54 Ų5443.2 Ų43.229%0.28927%0.266SS..Hα-helixtrans-62.1-45.5174.6-66.2-38.1000110.9C633 A634 A639 A640 V641 K733C633-D637 VanDerWaalsContact O-CG 3.27Å; C633-D637 PolarHBondContact O-N 3.17Å; A634-D637 PolarHBondContact O-N 3.35Å; D637-A639 VanDerWaalsContact C-N 3.34Å; D637-A639 PolarHBondContact O-N 3.4Å; D637-A640 PolarHBondContact O-N 2.79Å; D637-A640 VanDerWaalsContact O-N 3.11Å; D637-V641 WeakPolarHBondContact O-CG2 3.26Å; D637-V641 PolarHBondContact O-N 3.25Å; D637-V641 VanDerWaalsContact O-N 3.15Å; D637-K733 WeakPolarHBondContact OD1-CD 3.46Å; D637-K733 IonicContact OD1-NZ 2.85Å; D637-K733 PolarHBondContact OD1-NZ 3.09Å; D637-K733 VanDerWaalsContact OD1-NZ 3.14Å; D637-K733 WeakPolarHBondContact OD2-CE 3.26Å; D637-K733 IonicContact OD2-NZ 3.71Å; D637-K733 PolarHBondContact OD2-NZ 3.5Å
638R73.4Confident69.9Low38 Ų3843.4 Ų43.414%0.14327%0.267CS..Hα-helixtrans-59.3-45.2177.3-166.7-171.1-169.692.71.6111.8N537 F540 D544 A634 L635 A640 V641 S642N537-R638 PolarHBondContact O-NH1 2.85Å; F540-R638 VanDerWaalsContact CB-NH1 3.31Å; F540-R638 PolarHBondContact O-NH2 2.98Å; D544-R638 VanDerWaalsContact CG-NH2 3.34Å; D544-R638 IonicContact OD2-CZ 2.92Å; D544-R638 IonicContact OD2-NE 2.68Å; D544-R638 PolarHBondContact OD2-NE 3.34Å; D544-R638 IonicContact OD2-NH2 2.77Å; D544-R638 PolarHBondContact OD2-NH2 3.01Å; A634-R638 PolarHBondContact O-N 2.62Å; A634-R638 VanDerWaalsContact O-N 3.12Å; L635-R638 PolarHBondContact O-N 3.31Å; R638-A640 PolarHBondContact O-N 3.18Å; R638-V641 PolarHBondContact O-N 3.17Å; R638-S642 PolarHBondContact O-N 3.35Å
639A74.2Confident70.1Confident32 Ų3243.6 Ų43.626%0.26427%0.269SS..Hα-helixtrans-64.6-24.9178.200000113L635 C636 D637 L650 T653L635-A639 WeakPolarHBondContact O-CB 3.44Å; L635-A639 PolarHBondContact O-N 3.35Å; C636-A639 PolarHBondContact O-N 2.87Å; D637-A639 VanDerWaalsContact C-N 3.34Å; D637-A639 PolarHBondContact O-N 3.4Å; A639-L650 HydrophobicContact CB-CD1 4.22Å; A639-T653 HydrophobicContact CB-CG2 4.3Å
640A71.9Confident70.3Confident69 Ų6945 Ų4557%0.5728%0.276SS*.Hα-helixtrans-82.5-28.4177.300000113.5C636 D637 R638C636-A640 PolarHBondContact O-N 2.95Å; C636-A640 VanDerWaalsContact O-N 3.1Å; D637-A640 PolarHBondContact O-N 2.79Å; D637-A640 VanDerWaalsContact O-N 3.11Å; R638-A640 PolarHBondContact O-N 3.18Å
641V69.1Low70.6Confident119 Ų11947.3 Ų47.372%0.72129%0.293SS*.Hα-helixtrans-79.9-26.1-180175.20000112.4D637 R638 E643D637-V641 WeakPolarHBondContact O-CG2 3.26Å; D637-V641 PolarHBondContact O-N 3.25Å; D637-V641 VanDerWaalsContact O-N 3.15Å; R638-V641 PolarHBondContact O-N 3.17Å; V641-E643 PolarHBondContact O-N 3.27Å; V641-E643 VanDerWaalsContact O-N 3.14Å
642S62.9Low70.7Confident46 Ų4647.6 Ų47.632%0.32229%0.294SS..  trans-73.7103.3-178.9-176.30000111.4R638 D644R638-S642 PolarHBondContact O-N 3.35Å; S642-D644 VanDerWaalsContact C-N 3.29Å; S642-D644 PolarHBondContact O-N 2.87Å
643E55.3Low70.8Confident191 Ų19147.7 Ų47.789%0.89330%0.295SS*.  trans-66.2-30.4176.5-64.4-174162.800112.6V641 G645V641-E643 PolarHBondContact O-N 3.27Å; V641-E643 VanDerWaalsContact O-N 3.14Å; E643-G645 PolarHBondContact O-N 3.47Å; E643-G645 VanDerWaalsContact O-N 3.13Å
644D54.8Low71Confident114 Ų11448.9 Ų48.961%0.6131%0.308SS*.  trans-85.889.7-175.4-65.5-31.7000112S642 T646 S647S642-D644 VanDerWaalsContact C-N 3.29Å; S642-D644 PolarHBondContact O-N 2.87Å; D644-T646 PolarHBondContact O-N 2.94Å; D644-S647 PolarHBondContact O-N 3.46Å
645G57.2Low71.3Confident59 Ų5953.3 Ų53.361%0.60833%0.327SS*.THydrogen-bonded Turntrans-58.8-9.3177.700000115.9E643E643-G645 PolarHBondContact O-N 3.47Å; E643-G645 VanDerWaalsContact O-N 3.13Å
646T60.7Low71.4Confident96 Ų9653.3 Ų53.359%0.58933%0.327SS*.THydrogen-bonded Turntrans-96.2-15.9-17350.60000114.2D644D644-T646 PolarHBondContact O-N 2.94Å
647S69.8Low71.5Confident35 Ų3553.2 Ų53.225%0.24533%0.326CS..  trans-66.9143.5-173.471.90000113.1D644 S649 L650 S651D644-S647 PolarHBondContact O-N 3.46Å; S647-S649 VanDerWaalsContact C-N 3.31Å; S647-L650 PolarHBondContact O-N 3.42Å; S647-L650 VanDerWaalsContact OG-CB 3.29Å; S647-L650 WeakPolarHBondContact OG-CB 3.46Å; S647-L650 PolarHBondContact OG-N 3.17Å; S647-S651 PolarHBondContact O-N 3.38Å
648T71.2Confident71.9Confident10 Ų1054 Ų546%0.06133%0.332CS..Hα-helixtrans-65-36.2176.644.40000111.8V547 K587 L590 L650 S651 I652V547-T648 WeakPolarHBondContact CG1-OG1 3.16Å; K587-T648 HydrophobicContact CB-CG2 4.2Å; K587-T648 HydrophobicContact CG-CG2 3.77Å; L590-T648 HydrophobicContact CB-CG2 3.7Å; L590-T648 HydrophobicContact CD1-CG2 3.85Å; L590-T648 HydrophobicContact CG-CG2 4.43Å; T648-L650 PolarHBondContact O-N 2.84Å; T648-S651 WeakPolarHBondContact O-CB 3.12Å; T648-S651 PolarHBondContact O-N 3.42Å; T648-S651 VanDerWaalsContact O-N 3.16Å; T648-I652 WeakPolarHBondContact O-CG1 3.46Å; T648-I652 PolarHBondContact O-N 3.03Å
649S73.4Confident72.2Confident14 Ų1453.8 Ų53.810%0.09833%0.334CS..Hα-helixtrans-54.8-47.1170.6160.10000112.4D544 S647 S651 I652 T653D544-S649 VanDerWaalsContact OD1-CB 3.24Å; D544-S649 WeakPolarHBondContact OD1-CB 3.36Å; D544-S649 PolarHBondContact OD1-OG 3.36Å; D544-S649 PolarHBondContact OD2-OG 2.76Å; D544-S649 VanDerWaalsContact OD2-OG 3.09Å; S647-S649 VanDerWaalsContact C-N 3.31Å; S649-S651 VanDerWaalsContact C-N 3.27Å; S649-S651 PolarHBondContact O-N 3.32Å; S649-I652 WeakPolarHBondContact O-CB 3.35Å; S649-I652 PolarHBondContact O-N 2.91Å; S649-T653 PolarHBondContact O-N 3.42Å; S649-T653 PolarHBondContact O-OG1 3.34Å
650L76.1Confident72.4Confident33 Ų3352.5 Ų52.517%0.17332%0.323CS..Hα-helixtrans-65.3-35.4178.8-172.667.2000111.2A639 S647 T648 T653 G654A639-L650 HydrophobicContact CB-CD1 4.22Å; S647-L650 PolarHBondContact O-N 3.42Å; S647-L650 VanDerWaalsContact OG-CB 3.29Å; S647-L650 WeakPolarHBondContact OG-CB 3.46Å; S647-L650 PolarHBondContact OG-N 3.17Å; T648-L650 PolarHBondContact O-N 2.84Å; L650-T653 PolarHBondContact O-N 3.12Å; L650-G654 PolarHBondContact O-N 2.93Å
651S77.7Confident72.8Confident53 Ų5352.4 Ų52.437%0.37131%0.309SS..Hα-helixtrans-63.9-42173.7-172.80000112.2S647 T648 S649 G654 K655S647-S651 PolarHBondContact O-N 3.38Å; T648-S651 WeakPolarHBondContact O-CB 3.12Å; T648-S651 PolarHBondContact O-N 3.42Å; T648-S651 VanDerWaalsContact O-N 3.16Å; S649-S651 VanDerWaalsContact C-N 3.27Å; S649-S651 PolarHBondContact O-N 3.32Å; S651-G654 PolarHBondContact O-N 2.9Å; S651-K655 WeakPolarHBondContact O-CG 3.4Å; S651-K655 PolarHBondContact O-N 2.73Å
652I77.7Confident73.2Confident14 Ų1455.2 Ų55.27%0.07231%0.307CS..Hα-helixtrans-62.5-50.3174.5-65.9158.8000109.7V547 F594 I597 T648 S649 G654 K655 L656V547-I652 HydrophobicContact CG2-CD1 4.25Å; F594-I652 HydrophobicContact CB-CD1 3.89Å; F594-I652 HydrophobicContact CG-CD1 4.44Å; I597-I652 HydrophobicContact CB-CG2 4.37Å; I597-I652 HydrophobicContact CD1-CD1 4.16Å; I597-I652 HydrophobicContact CD1-CG2 4.12Å; I597-I652 HydrophobicContact CG2-CG2 3.78Å; T648-I652 WeakPolarHBondContact O-CG1 3.46Å; T648-I652 PolarHBondContact O-N 3.03Å; S649-I652 WeakPolarHBondContact O-CB 3.35Å; S649-I652 PolarHBondContact O-N 2.91Å; I652-G654 VanDerWaalsContact C-N 3.3Å; I652-G654 PolarHBondContact O-N 2.63Å; I652-K655 PolarHBondContact O-N 3.09Å; I652-L656 HydrophobicContact CG2-CD1 3.97Å; I652-L656 WeakPolarHBondContact O-CG 3.4Å; I652-L656 PolarHBondContact O-N 3.07Å
653T78.3Confident73.6Confident3 Ų355.3 Ų55.32%0.01830%0.3CS..Hα-helixtrans-56.9-44.3177.2-580000111.1L635 A639 S649 L650 L656 V657L635-T653 HydrophobicContact CB-CG2 4.34Å; A639-T653 HydrophobicContact CB-CG2 4.3Å; S649-T653 PolarHBondContact O-N 3.42Å; S649-T653 PolarHBondContact O-OG1 3.34Å; L650-T653 PolarHBondContact O-N 3.12Å; T653-L656 PolarHBondContact O-N 3.1Å; T653-V657 HydrophobicContact CG2-CG2 4.46Å; T653-V657 VanDerWaalsContact O-CG2 3.28Å; T653-V657 WeakPolarHBondContact O-CG2 3.04Å; T653-V657 PolarHBondContact O-N 2.67Å
654G80.4Confident74.3Confident29 Ų2946.3 Ų46.330%0.29926%0.258SS..Hα-helixtrans-61.8-44.6177.400000113.2L650 S651 I652 L656 V657 V658L650-G654 PolarHBondContact O-N 2.93Å; S651-G654 PolarHBondContact O-N 2.9Å; I652-G654 VanDerWaalsContact C-N 3.3Å; I652-G654 PolarHBondContact O-N 2.63Å; G654-L656 VanDerWaalsContact C-N 3.35Å; G654-L656 PolarHBondContact O-N 3.13Å; G654-V657 PolarHBondContact O-N 2.82Å; G654-V658 WeakPolarHBondContact O-CG2 3.13Å; G654-V658 PolarHBondContact O-N 3.27Å
655K81.4Confident75.1Confident94 Ų9442.9 Ų42.941%0.40924%0.24SC..Hα-helixtrans-61.1-43.2174.8-74177.3178.9-176.70111.8D598 S651 I652 V658 L659D598-K655 WeakPolarHBondContact OD2-CD 3.4Å; D598-K655 IonicContact OD2-NZ 3.66Å; D598-K655 PolarHBondContact OD2-NZ 2.78Å; S651-K655 WeakPolarHBondContact O-CG 3.4Å; S651-K655 PolarHBondContact O-N 2.73Å; I652-K655 PolarHBondContact O-N 3.09Å; K655-V658 WeakPolarHBondContact O-CB 3.34Å; K655-V658 PolarHBondContact O-N 3.29Å; K655-L659 PolarHBondContact O-N 3Å
656L80.3Confident75.6Confident2 Ų243.2 Ų43.21%0.0124%0.237CC..Hα-helixtrans-67-38.8178.3-67.3173.3000112.2F540 I597 F601 L635 I652 T653 G654 V658 L659 L660F540-L656 HydrophobicContact CE1-CD1 3.62Å; F540-L656 HydrophobicContact CZ-CD1 3.76Å; I597-L656 HydrophobicContact CG2-CD1 4.07Å; F601-L656 HydrophobicContact CB-CD2 3.48Å; F601-L656 VanDerWaalsContact CB-CD2 3.48Å; F601-L656 HydrophobicContact CD1-CD2 4.26Å; F601-L656 HydrophobicContact CD2-CD1 3.8Å; F601-L656 HydrophobicContact CD2-CD2 3.81Å; F601-L656 HydrophobicContact CD2-CG 4.49Å; F601-L656 HydrophobicContact CE2-CD1 3.81Å; F601-L656 HydrophobicContact CG-CD1 4.17Å; F601-L656 HydrophobicContact CG-CD2 3.59Å; F601-L656 HydrophobicContact CZ-CD1 4.2Å; L635-L656 HydrophobicContact CD1-CB 4.07Å; I652-L656 HydrophobicContact CG2-CD1 3.97Å; I652-L656 WeakPolarHBondContact O-CG 3.4Å; I652-L656 PolarHBondContact O-N 3.07Å; T653-L656 PolarHBondContact O-N 3.1Å; G654-L656 VanDerWaalsContact C-N 3.35Å; G654-L656 PolarHBondContact O-N 3.13Å; L656-V658 VanDerWaalsContact C-N 3.32Å; L656-V658 PolarHBondContact O-N 2.98Å; L656-L659 PolarHBondContact O-N 3.06Å; L656-L660 WeakPolarHBondContact O-CB 3.47Å; L656-L660 WeakPolarHBondContact O-CG 3.36Å; L656-L660 PolarHBondContact O-N 3.24Å
657V81.6Confident75.7Confident12 Ų1240.7 Ų40.77%0.07322%0.218CC..Hα-helixtrans-59.8-43.3171.2167.90000110.6L632 L635 T653 G654 L660 K661L632-V657 HydrophobicContact CD1-CG1 4.05Å; L635-V657 HydrophobicContact CB-CG2 3.57Å; T653-V657 HydrophobicContact CG2-CG2 4.46Å; T653-V657 VanDerWaalsContact O-CG2 3.28Å; T653-V657 WeakPolarHBondContact O-CG2 3.04Å; T653-V657 PolarHBondContact O-N 2.67Å; G654-V657 PolarHBondContact O-N 2.82Å; V657-L660 PolarHBondContact O-N 3.1Å; V657-K661 WeakPolarHBondContact O-CB 3.44Å; V657-K661 PolarHBondContact O-N 3.48Å
658V82.5Confident75.4Confident70 Ų7039.3 Ų39.342%0.42421%0.207SC..Hα-helixtrans-64.2-41.7176172.40000111.3G654 K655 L656 K661 R662G654-V658 WeakPolarHBondContact O-CG2 3.13Å; G654-V658 PolarHBondContact O-N 3.27Å; K655-V658 WeakPolarHBondContact O-CB 3.34Å; K655-V658 PolarHBondContact O-N 3.29Å; L656-V658 VanDerWaalsContact C-N 3.32Å; L656-V658 PolarHBondContact O-N 2.98Å; V658-K661 PolarHBondContact O-N 2.84Å; V658-R662 HydrophobicContact CG1-CG 4.45Å; V658-R662 WeakPolarHBondContact O-CB 3.34Å; V658-R662 VanDerWaalsContact O-CG 3.29Å; V658-R662 WeakPolarHBondContact O-CG 3.33Å; V658-R662 PolarHBondContact O-N 2.9Å
659L79.1Confident74.9Confident34 Ų3443 Ų4318%0.17823%0.23CC..Hα-helixtrans-61.7-49.6176.1-178.467.3000111.4E602 L605 K655 L656 K661 R662 R663E602-L659 HydrophobicContact CB-CD2 4.21Å; L605-L659 HydrophobicContact CD1-CD2 4.13Å; L605-L659 HydrophobicContact CD1-CG 4.42Å; K655-L659 PolarHBondContact O-N 3Å; L656-L659 PolarHBondContact O-N 3.06Å; L659-K661 VanDerWaalsContact C-N 3.33Å; L659-K661 PolarHBondContact O-N 3.47Å; L659-R662 PolarHBondContact O-N 3.22Å; L659-R663 WeakPolarHBondContact O-CG 3.25Å; L659-R663 PolarHBondContact O-N 3.23Å
660L79.7Confident74Confident6 Ų642.9 Ų42.93%0.03123%0.231CC..Hα-helixtrans-61.8-40.9176.9-74172.9000111.8L605 V628 M631 L632 L635 L656 V657 R663 F664L605-L660 HydrophobicContact CD1-CD2 3.89Å; L605-L660 HydrophobicContact CD2-CD2 3.93Å; V628-L660 HydrophobicContact CG1-CD2 4.32Å; M631-L660 HydrophobicContact CB-CD1 3.74Å; M631-L660 HydrophobicContact CB-CD2 4.18Å; L632-L660 HydrophobicContact CD1-CB 4.03Å; L635-L660 HydrophobicContact CD1-CD1 3.63Å; L635-L660 HydrophobicContact CG-CD1 4.45Å; L656-L660 WeakPolarHBondContact O-CB 3.47Å; L656-L660 WeakPolarHBondContact O-CG 3.36Å; L656-L660 PolarHBondContact O-N 3.24Å; V657-L660 PolarHBondContact O-N 3.1Å; L660-R663 PolarHBondContact O-N 3.01Å; L660-F664 WeakPolarHBondContact O-CB 3.5Å; L660-F664 PolarHBondContact O-N 2.79Å
661K78.6Confident72.1Confident67 Ų6751.3 Ų51.329%0.29126%0.26SS..Hα-helixtrans-63.6-44.3175.4-178.1170.3-178.1167.90111.7L632 V657 V658 L659 R663 F664 D665 E738L632-K661 HydrophobicContact CD1-CB 4.45Å; V657-K661 WeakPolarHBondContact O-CB 3.44Å; V657-K661 PolarHBondContact O-N 3.48Å; V658-K661 PolarHBondContact O-N 2.84Å; L659-K661 VanDerWaalsContact C-N 3.33Å; L659-K661 PolarHBondContact O-N 3.47Å; K661-R663 VanDerWaalsContact C-N 3.27Å; K661-R663 PolarHBondContact O-N 3.39Å; K661-F664 PolarHBondContact O-N 2.92Å; K661-D665 WeakPolarHBondContact O-CB 3.5Å; K661-D665 PolarHBondContact O-N 3.21Å; K661-E738 IonicContact NZ-OE1 3.39Å; K661-E738 PolarHBondContact NZ-OE1 3.25Å; K661-E738 IonicContact NZ-OE2 3.59Å
662R79.1Confident70.2Confident178 Ų17853.6 Ų53.667%0.67227%0.269SS*.Hα-helixtrans-60.8-37.8174.3-75.4174.6178.61790.9111.7V658 L659 A666V658-R662 HydrophobicContact CG1-CG 4.45Å; V658-R662 WeakPolarHBondContact O-CB 3.34Å; V658-R662 VanDerWaalsContact O-CG 3.29Å; V658-R662 WeakPolarHBondContact O-CG 3.33Å; V658-R662 PolarHBondContact O-N 2.9Å; L659-R662 PolarHBondContact O-N 3.22Å; R662-A666 WeakPolarHBondContact O-CB 3.16Å; R662-A666 PolarHBondContact O-N 2.74Å
663R69.9Low68.6Low48 Ų4854.5 Ų54.518%0.18127%0.271CS..Hα-helixtrans-68.6-43.3175.3-71.2-75.6-179144.40.5111.9E602 N606 E609 L659 L660 K661 A666 F667E602-R663 IonicContact OE1-NH2 3.57Å; E602-R663 PolarHBondContact OE1-NH2 3.48Å; N606-R663 PolarHBondContact OD1-NH1 3.12Å; N606-R663 PolarHBondContact OD1-NH2 2.77Å; E609-R663 IonicContact OE1-CZ 3.11Å; E609-R663 IonicContact OE1-NH1 2.63Å; E609-R663 PolarHBondContact OE1-NH1 2.78Å; E609-R663 IonicContact OE2-NH1 3.11Å; E609-R663 PolarHBondContact OE2-NH1 2.93Å; E609-R663 VanDerWaalsContact OE2-NH1 3.1Å; L659-R663 WeakPolarHBondContact O-CG 3.25Å; L659-R663 PolarHBondContact O-N 3.23Å; L660-R663 PolarHBondContact O-N 3.01Å; K661-R663 VanDerWaalsContact C-N 3.27Å; K661-R663 PolarHBondContact O-N 3.39Å; R663-A666 PolarHBondContact O-N 2.87Å; R663-F667 WeakPolarHBondContact O-CB 3.33Å; R663-F667 PolarHBondContact O-N 3.21Å
664F71.6Confident66.6Low2 Ų257.6 Ų57.61%0.00929%0.293CS..Hα-helixtrans-61.5-51.3173.9-179.3-103.6000110.9V628 V629 L660 K661 A666 F667 M668 L726 W742V628-F664 HydrophobicContact CG1-CB 3.93Å; V629-F664 HydrophobicContact CG2-CD2 3.83Å; V629-F664 HydrophobicContact CG2-CE2 3.57Å; L660-F664 WeakPolarHBondContact O-CB 3.5Å; L660-F664 PolarHBondContact O-N 2.79Å; K661-F664 PolarHBondContact O-N 2.92Å; F664-A666 VanDerWaalsContact C-N 3.34Å; F664-A666 PolarHBondContact O-N 2.91Å; F664-F667 CarbonylContact O-C 3.6Å; F664-F667 WeakPolarHBondContact O-CA 3Å; F664-F667 VanDerWaalsContact O-CB 3.31Å; F664-F667 WeakPolarHBondContact O-CB 3.28Å; F664-F667 PolarHBondContact O-N 3.38Å; F664-F667 VanDerWaalsContact O-N 3.09Å; F664-M668 HydrophobicContact CD1-CG 4.12Å; F664-M668 HydrophobicContact CD2-CG 4.4Å; F664-M668 HydrophobicContact CE1-CG 3.8Å; F664-M668 HydrophobicContact CE2-CG 4.08Å; F664-M668 HydrophobicContact CE2-SD 4.08Å; F664-M668 HydrophobicContact CG-CG 4.42Å; F664-M668 HydrophobicContact CZ-CE 4.19Å; F664-M668 HydrophobicContact CZ-CG 3.78Å; F664-M668 HydrophobicContact CZ-SD 3.98Å; F664-M668 VanDerWaalsContact O-CG 3.25Å; F664-M668 WeakPolarHBondContact O-CG 3.34Å; F664-M668 PolarHBondContact O-N 2.68Å; F664-L726 HydrophobicContact CE2-CD2 4.26Å; F664-W742 AromaticContact CE1-CD1 3.72Å; F664-W742 AromaticContact CE1-NE1 3.85Å
665D71.6Confident64.3Low41 Ų4162.4 Ų62.422%0.21931%0.311CS..Hα-helixtrans-60.7-41.5176.6-72.1-20.1000111.2K661 F667 M668 V669 W742K661-D665 WeakPolarHBondContact O-CB 3.5Å; K661-D665 PolarHBondContact O-N 3.21Å; D665-F667 VanDerWaalsContact C-N 3.3Å; D665-F667 PolarHBondContact O-N 2.83Å; D665-M668 PolarHBondContact O-N 3.32Å; D665-V669 VanDerWaalsContact O-CB 3.25Å; D665-V669 WeakPolarHBondContact O-CB 3.46Å; D665-V669 WeakPolarHBondContact O-CG2 3.18Å; D665-V669 PolarHBondContact O-N 3.14Å; D665-W742 HydrophobicContact CB-CZ2 4.25Å; D665-W742 PolarHBondContact OD1-NE1 3.26Å
666A67.1Low62.1Low67 Ų6761.3 Ų61.355%0.55431%0.31SS*.Hα-helixtrans-62.5-38.1174.900000112.3R662 R663 F664 G670R662-A666 WeakPolarHBondContact O-CB 3.16Å; R662-A666 PolarHBondContact O-N 2.74Å; R663-A666 PolarHBondContact O-N 2.87Å; F664-A666 VanDerWaalsContact C-N 3.34Å; F664-A666 PolarHBondContact O-N 2.91Å; A666-G670 PolarHBondContact O-N 3.42Å
667F63.3Low60.2Low42 Ų4269.5 Ų69.518%0.18435%0.346CS..Hα-helixtrans-63.5-42.5172.9176.7-89.9000111.6R621 C625 R663 F664 D665 W673 F722R621-F667 HydrophobicContact CB-CE2 4.26Å; R621-F667 WeakPolarHBondContact O-CE2 3.36Å; C625-F667 HydrophobicContact CB-CD1 4.09Å; C625-F667 HydrophobicContact CB-CD2 4.36Å; C625-F667 HydrophobicContact CB-CE1 3.62Å; C625-F667 HydrophobicContact CB-CE2 3.91Å; C625-F667 HydrophobicContact CB-CG 4.45Å; C625-F667 HydrophobicContact CB-CZ 3.52Å; C625-F667 VanDerWaalsContact SG-CD1 3.54Å; C625-F667 WeakPolarHBondContact SG-CE1 3.28Å; R663-F667 WeakPolarHBondContact O-CB 3.33Å; R663-F667 PolarHBondContact O-N 3.21Å; F664-F667 CarbonylContact O-C 3.6Å; F664-F667 WeakPolarHBondContact O-CA 3Å; F664-F667 VanDerWaalsContact O-CB 3.31Å; F664-F667 WeakPolarHBondContact O-CB 3.28Å; F664-F667 PolarHBondContact O-N 3.38Å; F664-F667 VanDerWaalsContact O-N 3.09Å; D665-F667 VanDerWaalsContact C-N 3.3Å; D665-F667 PolarHBondContact O-N 2.83Å; F667-W673 WeakPolarHBondContact O-CZ2 3.38Å; F667-F722 AromaticContact CE1-CE2 3.86Å; F667-F722 HydrophobicContact CE1-CE2 3.86Å; F667-F722 AromaticContact CE1-CZ 3.83Å; F667-F722 HydrophobicContact CE1-CZ 3.83Å; F667-F722 HydrophobicContact CZ-CE2 4.29Å
668M62.7Low57.9Low6 Ų674.8 Ų74.83%0.0337%0.374CS..Hα-helixtrans-78.6-36.6-178.4-60.2-59.1-82.400114F664 D665 F722 W742 L746F664-M668 HydrophobicContact CD1-CG 4.12Å; F664-M668 HydrophobicContact CD2-CG 4.4Å; F664-M668 HydrophobicContact CE1-CG 3.8Å; F664-M668 HydrophobicContact CE2-CG 4.08Å; F664-M668 HydrophobicContact CE2-SD 4.08Å; F664-M668 HydrophobicContact CG-CG 4.42Å; F664-M668 HydrophobicContact CZ-CE 4.19Å; F664-M668 HydrophobicContact CZ-CG 3.78Å; F664-M668 HydrophobicContact CZ-SD 3.98Å; F664-M668 VanDerWaalsContact O-CG 3.25Å; F664-M668 WeakPolarHBondContact O-CG 3.34Å; F664-M668 PolarHBondContact O-N 2.68Å; D665-M668 PolarHBondContact O-N 3.32Å; M668-F722 HydrophobicContact CE-CE1 4.44Å; M668-F722 HydrophobicContact CE-CZ 4.47Å; M668-F722 HydrophobicContact SD-CE1 4.49Å; M668-F722 HydrophobicContact SD-CZ 4.02Å; M668-W742 HydrophobicContact CB-CD2 3.44Å; M668-W742 VanDerWaalsContact CB-CD2 3.44Å; M668-W742 HydrophobicContact CB-CE3 3.63Å; M668-W742 HydrophobicContact CB-CG 3.96Å; M668-W742 HydrophobicContact CB-CH2 4.21Å; M668-W742 HydrophobicContact CB-CZ2 3.96Å; M668-W742 HydrophobicContact CB-CZ3 4.01Å; M668-W742 HydrophobicContact CE-CB 3.32Å; M668-W742 HydrophobicContact CE-CD2 4.31Å; M668-W742 HydrophobicContact CE-CG 3.63Å; M668-W742 HydrophobicContact CG-CD2 4.02Å; M668-W742 HydrophobicContact CG-CG 4.01Å; M668-L746 HydrophobicContact CE-CD1 3.64Å; M668-L746 HydrophobicContact CE-CG 4.44Å
669V61.8Low55.7Low89 Ų8972.1 Ų72.154%0.53936%0.358SS..Hα-helixtrans-69-39.5178.5169.50000111.2D665 R671 W742D665-V669 VanDerWaalsContact O-CB 3.25Å; D665-V669 WeakPolarHBondContact O-CB 3.46Å; D665-V669 WeakPolarHBondContact O-CG2 3.18Å; D665-V669 PolarHBondContact O-N 3.14Å; V669-R671 PolarHBondContact O-N 3.38Å; V669-R671 VanDerWaalsContact O-N 3.11Å; V669-W742 HydrophobicContact CB-CH2 4.36Å; V669-W742 HydrophobicContact CG2-CH2 3.31Å; V669-W742 HydrophobicContact CG2-CZ2 4.06Å; V669-W742 HydrophobicContact CG2-CZ3 4.06Å
670G52.7Low53.9Low11 Ų1172.3 Ų72.311%0.11336%0.358CS..  trans46.650166.300000116.5A666 N672 W673A666-G670 PolarHBondContact O-N 3.42Å; G670-N672 PolarHBondContact O-N 3.37Å; G670-W673 VanDerWaalsContact O-CB 3.23Å; G670-W673 WeakPolarHBondContact O-CB 3.08Å; G670-W673 VanDerWaalsContact O-CG 3.31Å; G670-W673 PolarHBondContact O-N 3.4Å
671R37Very low52.2Low210 Ų21073.5 Ų73.579%0.79236%0.364SS*.THydrogen-bonded Turntrans-56-17.8163-118.4-180-163.7154.23.5112.6V669 W673 S674V669-R671 PolarHBondContact O-N 3.38Å; V669-R671 VanDerWaalsContact O-N 3.11Å; R671-W673 VanDerWaalsContact C-N 3.32Å; R671-S674 PolarHBondContact O-OG 3.29Å
672N38.2Very low50.6Low101 Ų10171 Ų7154%0.5435%0.353SS..Hα-helixtrans-84-0.8172.5-71.4-12000113.9G670 S674G670-N672 PolarHBondContact O-N 3.37Å; N672-S674 VanDerWaalsContact C-N 3.33Å
673W43.2Very low48.9Very low33 Ų3364.6 Ų64.613%0.12533%0.333CS..Hα-helixtrans-80.7-17.9173.8-60.77.6000111.8F667 G670 R671 Q680 F682 L746F667-W673 WeakPolarHBondContact O-CZ2 3.38Å; G670-W673 VanDerWaalsContact O-CB 3.23Å; G670-W673 WeakPolarHBondContact O-CB 3.08Å; G670-W673 VanDerWaalsContact O-CG 3.31Å; G670-W673 PolarHBondContact O-N 3.4Å; R671-W673 VanDerWaalsContact C-N 3.32Å; W673-Q680 WeakPolarHBondContact O-CA 2.88Å; W673-Q680 VanDerWaalsContact O-CB 3.28Å; W673-Q680 WeakPolarHBondContact O-CB 3.41Å; W673-Q680 WeakPolarHBondContact O-CG 3.45Å; W673-F682 HydrophobicContact CD2-CD2 4.43Å; W673-F682 AromaticContact CE3-CD2 3.9Å; W673-F682 HydrophobicContact CE3-CD2 3.9Å; W673-F682 AromaticContact CH2-CD2 3.56Å; W673-F682 HydrophobicContact CH2-CD2 3.56Å; W673-F682 AromaticContact CH2-CE2 3.73Å; W673-F682 HydrophobicContact CH2-CE2 3.73Å; W673-F682 HydrophobicContact CZ2-CD2 4.12Å; W673-F682 HydrophobicContact CZ2-CE2 4.12Å; W673-F682 HydrophobicContact CZ3-CB 4.47Å; W673-F682 AromaticContact CZ3-CD2 3.43Å; W673-F682 HydrophobicContact CZ3-CD2 3.43Å; W673-F682 VanDerWaalsContact CZ3-CD2 3.43Å; W673-F682 HydrophobicContact CZ3-CE2 4.11Å; W673-F682 HydrophobicContact CZ3-CG 4.34Å; W673-L746 HydrophobicContact CH2-CD2 3.7Å; W673-L746 HydrophobicContact CZ3-CD2 4.09Å
674S36.1Very low47.9Very low67 Ų6763.5 Ų63.547%0.46933%0.331SS..Hα-helixtrans-106.7-35.6177.863.70000113.8R671 N672 Q680R671-S674 PolarHBondContact O-OG 3.29Å; N672-S674 VanDerWaalsContact C-N 3.33Å; S674-Q680 PolarHBondContact O-NE2 3.13Å
675N33.7Very low46.5Very low130 Ų13068.4 Ų68.470%0.69535%0.354SS*.Hα-helixtrans-94.2-20.8-167-787.2000115.7K677N675-K677 PolarHBondContact O-N 2.86Å
676D35Very low45.4Very low72 Ų7273.6 Ų73.639%0.38537%0.37SS..SBendtrans-90.4103.9176.6-168.319.6000108.3N678 S679D676-N678 PolarHBondContact O-N 2.6Å; D676-S679 PolarHBondContact O-N 2.88Å; D676-S679 VanDerWaalsContact OD2-CB 3.3Å; D676-S679 WeakPolarHBondContact OD2-CB 3.07Å; D676-S679 PolarHBondContact OD2-OG 2.76Å
677K40.3Very low44.4Very low173 Ų17370.9 Ų70.975%0.75235%0.347SS*.THydrogen-bonded Turntrans-51-6.6-176.3-69.2-177176.6-179.60115.1N675N675-K677 PolarHBondContact O-N 2.86Å
678N33.4Very low43.6Very low124 Ų12474.4 Ų74.466%0.66338%0.375SS*.THydrogen-bonded Turntrans-122.30.9-179.5-77.3-35.2000115.1D676D676-N678 PolarHBondContact O-N 2.6Å
679S36.6Very low42.7Very low14 Ų1481.8 Ų81.810%0.09841%0.407CS..  trans-134.827.8-164.5-53.80000115.8D676 M681D676-S679 PolarHBondContact O-N 2.88Å; D676-S679 VanDerWaalsContact OD2-CB 3.3Å; D676-S679 WeakPolarHBondContact OD2-CB 3.07Å; D676-S679 PolarHBondContact OD2-OG 2.76Å; S679-M681 PolarHBondContact O-N 3.33Å
680Q41Very low41.7Very low37 Ų3787.1 Ų87.117%0.17342%0.417CS..  trans-77101.2174.6-45.6-162.1-14.500110.4W673 S674 V683 E685W673-Q680 WeakPolarHBondContact O-CA 2.88Å; W673-Q680 VanDerWaalsContact O-CB 3.28Å; W673-Q680 WeakPolarHBondContact O-CB 3.41Å; W673-Q680 WeakPolarHBondContact O-CG 3.45Å; S674-Q680 PolarHBondContact O-NE2 3.13Å; Q680-V683 HydrophobicContact CB-CB 4.22Å; Q680-V683 WeakPolarHBondContact CB-O 3.33Å; Q680-V683 PolarHBondContact OE1-O 3.02Å; Q680-E685 PolarHBondContact NE2-OE1 3.12Å; Q680-E685 VanDerWaalsContact NE2-OE1 3.14Å; Q680-E685 VanDerWaalsContact OE1-CG 3.25Å
681M43.5Very low41.9Very low31 Ų3190.2 Ų90.215%0.15343%0.43CS..SBendtrans-71.6-39.3-177-16993.589.400112.3K618 R621 S679K618-M681 VanDerWaalsContact O-SD 3.39Å; R621-M681 HydrophobicContact CB-CE 3.59Å; S679-M681 PolarHBondContact O-N 3.33Å
682F45Very low42.7Very low14 Ų1484.4 Ų84.46%0.06141%0.411CS..SBendtrans-118.7-16.5-173.3-61.8-69.6000114.5W673 T698 F702 T749 L750 S753W673-F682 HydrophobicContact CD2-CD2 4.43Å; W673-F682 AromaticContact CE3-CD2 3.9Å; W673-F682 HydrophobicContact CE3-CD2 3.9Å; W673-F682 AromaticContact CH2-CD2 3.56Å; W673-F682 HydrophobicContact CH2-CD2 3.56Å; W673-F682 AromaticContact CH2-CE2 3.73Å; W673-F682 HydrophobicContact CH2-CE2 3.73Å; W673-F682 HydrophobicContact CZ2-CD2 4.12Å; W673-F682 HydrophobicContact CZ2-CE2 4.12Å; W673-F682 HydrophobicContact CZ3-CB 4.47Å; W673-F682 AromaticContact CZ3-CD2 3.43Å; W673-F682 HydrophobicContact CZ3-CD2 3.43Å; W673-F682 VanDerWaalsContact CZ3-CD2 3.43Å; W673-F682 HydrophobicContact CZ3-CE2 4.11Å; W673-F682 HydrophobicContact CZ3-CG 4.34Å; F682-T698 VanDerWaalsContact O-CG2 3.31Å; F682-T698 WeakPolarHBondContact O-CG2 3.39Å; F682-F702 HydrophobicContact CD1-CB 4.12Å; F682-F702 HydrophobicContact CD1-CD2 4.24Å; F682-F702 HydrophobicContact CD1-CG 4.4Å; F682-F702 HydrophobicContact CE1-CB 3.63Å; F682-F702 AromaticContact CE1-CD2 3.48Å; F682-F702 HydrophobicContact CE1-CD2 3.48Å; F682-F702 VanDerWaalsContact CE1-CD2 3.48Å; F682-F702 AromaticContact CE1-CG 3.89Å; F682-F702 HydrophobicContact CE1-CG 3.89Å; F682-F702 AromaticContact CZ-CD2 3.63Å; F682-F702 HydrophobicContact CZ-CD2 3.63Å; F682-F702 HydrophobicContact CZ-CE2 4.39Å; F682-F702 HydrophobicContact CZ-CG 4.48Å; F682-T749 HydrophobicContact CB-CG2 4.41Å; F682-L750 HydrophobicContact CD1-CD2 4.49Å; F682-S753 WeakPolarHBondContact O-CB 3.39Å; F682-S753 PolarHBondContact O-OG 3Å
683V43.2Very low43.6Very low44 Ų4480.4 Ų80.427%0.26739%0.388SS..PPolyproline II helixtrans-90.7129.1176.3-175.60000108.4Q680 T749Q680-V683 HydrophobicContact CB-CB 4.22Å; Q680-V683 WeakPolarHBondContact CB-O 3.33Å; Q680-V683 PolarHBondContact OE1-O 3.02Å; V683-T749 HydrophobicContact CG2-CG2 4.2Å
684I48.9Very low44.5Very low25 Ų2582.2 Ų82.213%0.12840%0.398CS..PPolyproline II helixtrans-91.6119.7176.5-70.3149.1000107.8Y693 L696 T698I684-Y693 HydrophobicContact CG2-CE1 4.04Å; I684-L696 HydrophobicContact CD1-CB 3.8Å; I684-L696 HydrophobicContact CD1-CD1 3.48Å; I684-L696 VanDerWaalsContact CD1-CD1 3.48Å; I684-L696 HydrophobicContact CD1-CD2 3.33Å; I684-L696 HydrophobicContact CD1-CG 3.66Å; I684-T698 HydrophobicContact CD1-CG2 4.08Å; I684-T698 WeakPolarHBondContact CD1-OG1 3.36Å; I684-T698 HydrophobicContact CG1-CG2 3.84Å
685E42.8Very low45.6Very low106 Ų10681 Ų8150%0.49539%0.386SS..PPolyproline II helixtrans-73140.4167-69.1-169.1158.400110.1Q680 S687Q680-E685 PolarHBondContact NE2-OE1 3.12Å; Q680-E685 VanDerWaalsContact NE2-OE1 3.14Å; Q680-E685 VanDerWaalsContact OE1-CG 3.25Å; E685-S687 PolarHBondContact O-N 3.28Å
686R48.9Very low46.9Very low149 Ų14975 Ų7556%0.56235%0.353SS*.PPolyproline II helixtrans-54.7126.6170.6-68.7179.6177.9169.5-2.2109.1D760R686-D760 HydrophobicContact CG-CB 4.33Å
687S45.4Very low48Very low10 Ų1075.5 Ų75.57%0.0736%0.361CS..PPolyproline II helixtrans-78.3132.6-174.364.20000110.1E685 K689 Y693 D760 H762E685-S687 PolarHBondContact O-N 3.28Å; S687-K689 PolarHBondContact O-N 3.3Å; S687-K689 PolarHBondContact OG-O 3.49Å; S687-Y693 WeakPolarHBondContact CB-OH 3.46Å; S687-Y693 PolarHBondContact N-OH 3.02Å; S687-Y693 PolarHBondContact OG-OH 3.26Å; S687-Y693 VanDerWaalsContact OG-OH 3.11Å; S687-D760 PolarHBondContact N-OD2 3.3Å; S687-D760 PolarHBondContact OG-OD2 2.88Å; S687-H762 WeakPolarHBondContact O-CB 3.43Å; S687-H762 PolarHBondContact O-CD2 3.49Å
688P45.4Very low48.8Very low117 Ų11767.7 Ų67.776%0.7633%0.328SS*.SBendtrans-72.51.617728.7-34.4000113
689K44.1Very low49.9Very low161 Ų16161.9 Ų61.970%0.730%0.297SS*.SBendtrans-130.9150.7-175.4-66-175.7-179.9-179.40108.8S687 I691S687-K689 PolarHBondContact O-N 3.3Å; S687-K689 PolarHBondContact OG-O 3.49Å; K689-I691 WeakPolarHBondContact O-CG1 3.31Å; K689-I691 PolarHBondContact O-N 3.39Å
690R42.2Very low50.9Low200 Ų20063.7 Ų63.776%0.75531%0.307SS*.  trans-65110178.2-68.2-173.3179.7-174.6-0.4111.5H762 K764R690-H762 WeakPolarHBondContact CA-O 3.43Å; R690-K764 HydrophobicContact CB-CG 4.02Å; R690-K764 VanDerWaalsContact O-CE 3.24Å; R690-K764 WeakPolarHBondContact O-CE 3.2Å
691I55.2Low51.5Low76 Ų7665.7 Ų65.739%0.3932%0.317SS..BIsolated β-bridgetrans-114.7142.2-178.5-64.7-178.3000110.3K689 Y693 H762 K764K689-I691 WeakPolarHBondContact O-CG1 3.31Å; K689-I691 PolarHBondContact O-N 3.39Å; I691-Y693 HydrophobicContact CB-CE2 4.47Å; I691-Y693 PolarHBondContact O-N 3.48Å; I691-H762 PolarHBondContact N-O 2.96Å; I691-K764 PolarHBondContact O-N 3.21Å
692K54.4Low52Low88 Ų8864.2 Ų64.238%0.38331%0.31SS..  trans-81.4103.5167.2-165.8-173.8180-174.60107E694 K764 C765K692-E694 HydrophobicContact CD-CG 4.32Å; K692-E694 HydrophobicContact CG-CG 4.41Å; K692-E694 PolarHBondContact O-N 3.19Å; K692-K764 HydrophobicContact CB-CB 4.45Å; K692-C765 WeakPolarHBondContact CG-SG 3.27Å
693Y56.5Low52.4Low18 Ų1863.7 Ų63.77%0.07131%0.308CS..  trans-76.9103.6172.9-71.3-78.4000108.1I684 S687 I691 L696 A757 D760 C765I684-Y693 HydrophobicContact CG2-CE1 4.04Å; S687-Y693 WeakPolarHBondContact CB-OH 3.46Å; S687-Y693 PolarHBondContact N-OH 3.02Å; S687-Y693 PolarHBondContact OG-OH 3.26Å; S687-Y693 VanDerWaalsContact OG-OH 3.11Å; I691-Y693 HydrophobicContact CB-CE2 4.47Å; I691-Y693 PolarHBondContact O-N 3.48Å; Y693-L696 HydrophobicContact CD1-CD2 3.93Å; Y693-A757 HydrophobicContact CD1-CB 4.25Å; Y693-A757 HydrophobicContact CE1-CB 4.43Å; Y693-D760 HydrophobicContact CE2-CB 3.95Å; Y693-D760 WeakPolarHBondContact CE2-OD2 3.17Å; Y693-D760 VanDerWaalsContact CZ-OD2 3.3Å; Y693-D760 PolarHBondContact OH-OD2 3.11Å; Y693-C765 PolarHBondContact O-SG 3.49Å
694E62.7Low52.5Low70 Ų7062.6 Ų62.633%0.32730%0.301SS..  trans-87.9-146.1167.4-62.6-179168.400108.6K692 L696 N774K692-E694 HydrophobicContact CD-CG 4.32Å; K692-E694 HydrophobicContact CG-CG 4.41Å; K692-E694 PolarHBondContact O-N 3.19Å; E694-L696 PolarHBondContact O-N 3.4Å; E694-N774 PolarHBondContact O-ND2 3.15Å
695I58.9Low51.6Low42 Ų4266.9 Ų66.922%0.21532%0.317CS..SBendtrans-59.9121.7169.1-59.2171.2000109.1T700 N774 F777I695-T700 HydrophobicContact CG2-CG2 3.87Å; I695-N774 WeakPolarHBondContact CA-OD1 3.25Å; I695-F777 HydrophobicContact CD1-CD2 3.76Å; I695-F777 HydrophobicContact CD1-CE2 3.9Å; I695-F777 HydrophobicContact CD1-CG 4.18Å; I695-F777 HydrophobicContact CD1-CZ 4.38Å; I695-F777 HydrophobicContact CG1-CG 4.49Å; I695-F777 HydrophobicContact CG2-CD1 3.5Å; I695-F777 HydrophobicContact CG2-CD2 4.32Å; I695-F777 HydrophobicContact CG2-CE1 3.44Å; I695-F777 VanDerWaalsContact CG2-CE1 3.44Å; I695-F777 HydrophobicContact CG2-CE2 4.3Å; I695-F777 HydrophobicContact CG2-CG 3.88Å; I695-F777 HydrophobicContact CG2-CZ 3.8Å
696L61.9Low50.9Low3 Ų369 Ų692%0.01632%0.32CS..  trans-60.3128.4-176.7-69.6176.5000110.6I684 Y693 E694 T698 L699 T700 I754 A757 N774I684-L696 HydrophobicContact CD1-CB 3.8Å; I684-L696 HydrophobicContact CD1-CD1 3.48Å; I684-L696 VanDerWaalsContact CD1-CD1 3.48Å; I684-L696 HydrophobicContact CD1-CD2 3.33Å; I684-L696 HydrophobicContact CD1-CG 3.66Å; Y693-L696 HydrophobicContact CD1-CD2 3.93Å; E694-L696 PolarHBondContact O-N 3.4Å; L696-T698 PolarHBondContact O-N 3.36Å; L696-L699 HydrophobicContact CB-CD1 4.07Å; L696-L699 HydrophobicContact CB-CG 4.15Å; L696-L699 WeakPolarHBondContact O-CB 3.15Å; L696-L699 PolarHBondContact O-N 2.68Å; L696-T700 PolarHBondContact O-N 2.74Å; L696-I754 HydrophobicContact CD1-CB 4.39Å; L696-I754 HydrophobicContact CD1-CG1 3.89Å; L696-A757 HydrophobicContact CD1-CB 3.95Å; L696-A757 HydrophobicContact CD2-CB 3.8Å; L696-A757 HydrophobicContact CG-CB 4.44Å; L696-N774 VanDerWaalsContact CG-OD1 3.31Å; L696-N774 WeakPolarHBondContact CG-OD1 3.42Å; L696-N774 PolarHBondContact N-OD1 3.24Å
697P57.9Low50Low83 Ų8366.6 Ų66.654%0.53931%0.314SS..Hα-helixtrans-55.2-28.7178-27.734.5000112.7T700 M701P697-T700 VanDerWaalsContact CA-OG1 3.3Å; P697-T700 WeakPolarHBondContact CA-OG1 3.28Å; P697-T700 CarbonylContact O-C 3.57Å; P697-T700 WeakPolarHBondContact O-CA 3.27Å; P697-T700 PolarHBondContact O-N 3.12Å; P697-T700 VanDerWaalsContact O-N 3.12Å; P697-T700 PolarHBondContact O-OG1 3.47Å; P697-M701 WeakPolarHBondContact O-CB 3.39Å; P697-M701 WeakPolarHBondContact O-CG 3.38Å; P697-M701 PolarHBondContact O-N 3.5Å
698T56.3Low49.3Very low10 Ų1069.7 Ų69.76%0.06133%0.332CS..Hα-helixtrans-65.2-38.9177.553.20000112.3F682 I684 L696 T700 F702F682-T698 VanDerWaalsContact O-CG2 3.31Å; F682-T698 WeakPolarHBondContact O-CG2 3.39Å; I684-T698 HydrophobicContact CD1-CG2 4.08Å; I684-T698 WeakPolarHBondContact CD1-OG1 3.36Å; I684-T698 HydrophobicContact CG1-CG2 3.84Å; L696-T698 PolarHBondContact O-N 3.36Å; T698-T700 VanDerWaalsContact C-N 3.29Å; T698-T700 PolarHBondContact O-N 3.36Å; T698-F702 WeakPolarHBondContact O-CB 3.47Å; T698-F702 PolarHBondContact O-N 3.27Å
699L57.7Low48.5Very low2 Ų270 Ų701%0.0133%0.327CS..Hα-helixtrans-64.9-37.1170.9-64.1170.5000110.9L696 F703 L750 I754 N774 F777 L778L696-L699 HydrophobicContact CB-CD1 4.07Å; L696-L699 HydrophobicContact CB-CG 4.15Å; L696-L699 WeakPolarHBondContact O-CB 3.15Å; L696-L699 PolarHBondContact O-N 2.68Å; L699-F703 PolarHBondContact O-N 3.42Å; L699-L750 HydrophobicContact CD2-CB 3.97Å; L699-L750 HydrophobicContact CD2-CD1 3.9Å; L699-L750 HydrophobicContact CD2-CD2 3.98Å; L699-L750 HydrophobicContact CD2-CG 4.15Å; L699-I754 HydrophobicContact CD1-CD1 4.13Å; L699-I754 HydrophobicContact CD1-CG1 4.24Å; L699-I754 HydrophobicContact CD2-CD1 4.23Å; L699-N774 HydrophobicContact CD1-CB 3.74Å; L699-N774 WeakPolarHBondContact CD1-OD1 3.48Å; L699-F777 HydrophobicContact CB-CD1 3.92Å; L699-F777 HydrophobicContact CB-CE1 3.93Å; L699-F777 HydrophobicContact CD1-CD1 4.24Å; L699-L778 HydrophobicContact CD2-CB 4.17Å; L699-L778 HydrophobicContact CD2-CD1 3.93Å; L699-L778 HydrophobicContact CD2-CD2 4.37Å; L699-L778 HydrophobicContact CD2-CG 4.37Å
700T56.3Low47.8Very low52 Ų5267 Ų6732%0.31931%0.314SS..Hα-helixtrans-71.3-42.6177.4680000114.6I695 L696 P697 T698 F702 F703 V704 F777I695-T700 HydrophobicContact CG2-CG2 3.87Å; L696-T700 PolarHBondContact O-N 2.74Å; P697-T700 VanDerWaalsContact CA-OG1 3.3Å; P697-T700 WeakPolarHBondContact CA-OG1 3.28Å; P697-T700 CarbonylContact O-C 3.57Å; P697-T700 WeakPolarHBondContact O-CA 3.27Å; P697-T700 PolarHBondContact O-N 3.12Å; P697-T700 VanDerWaalsContact O-N 3.12Å; P697-T700 PolarHBondContact O-OG1 3.47Å; T698-T700 VanDerWaalsContact C-N 3.29Å; T698-T700 PolarHBondContact O-N 3.36Å; T700-F702 VanDerWaalsContact C-N 3.35Å; T700-F703 PolarHBondContact O-N 3.24Å; T700-V704 HydrophobicContact CG2-CB 4.34Å; T700-V704 HydrophobicContact CG2-CG2 4.17Å; T700-V704 PolarHBondContact O-N 3.02Å; T700-F777 HydrophobicContact CG2-CE1 4.07Å; T700-F777 HydrophobicContact CG2-CZ 4.04Å
701M53.8Low47.4Very low78 Ų7866.1 Ų66.138%0.38432%0.316SS..Hα-helixtrans-71.7-31.7178.4-72-132.1-8400112.2P697P697-M701 WeakPolarHBondContact O-CB 3.39Å; P697-M701 WeakPolarHBondContact O-CG 3.38Å; P697-M701 PolarHBondContact O-N 3.5Å
702F53.7Low46.4Very low0 Ų070.5 Ų70.50%034%0.34CS..Hα-helixtrans-72-34.4178.1-165.7-126.5000112.1F682 T698 T700 F722 L746 L750F682-F702 HydrophobicContact CD1-CB 4.12Å; F682-F702 HydrophobicContact CD1-CD2 4.24Å; F682-F702 HydrophobicContact CD1-CG 4.4Å; F682-F702 HydrophobicContact CE1-CB 3.63Å; F682-F702 AromaticContact CE1-CD2 3.48Å; F682-F702 HydrophobicContact CE1-CD2 3.48Å; F682-F702 VanDerWaalsContact CE1-CD2 3.48Å; F682-F702 AromaticContact CE1-CG 3.89Å; F682-F702 HydrophobicContact CE1-CG 3.89Å; F682-F702 AromaticContact CZ-CD2 3.63Å; F682-F702 HydrophobicContact CZ-CD2 3.63Å; F682-F702 HydrophobicContact CZ-CE2 4.39Å; F682-F702 HydrophobicContact CZ-CG 4.48Å; T698-F702 WeakPolarHBondContact O-CB 3.47Å; T698-F702 PolarHBondContact O-N 3.27Å; T700-F702 VanDerWaalsContact C-N 3.35Å; F702-F722 HydrophobicContact CD2-CD1 4.07Å; F702-F722 AromaticContact CE2-CD1 3.69Å; F702-F722 HydrophobicContact CE2-CD1 3.69Å; F702-F722 HydrophobicContact CE2-CE1 4.1Å; F702-L746 HydrophobicContact CE1-CB 3.79Å; F702-L746 HydrophobicContact CE2-CB 3.87Å; F702-L746 HydrophobicContact CE2-CD1 3.64Å; F702-L746 HydrophobicContact CE2-CD2 3.91Å; F702-L746 HydrophobicContact CE2-CG 3.99Å; F702-L746 HydrophobicContact CZ-CB 3.24Å; F702-L746 HydrophobicContact CZ-CD1 3.41Å; F702-L746 VanDerWaalsContact CZ-CD1 3.41Å; F702-L746 HydrophobicContact CZ-CD2 4.17Å; F702-L746 HydrophobicContact CZ-CG 3.75Å; F702-L750 HydrophobicContact CB-CD2 4.33Å; F702-L750 HydrophobicContact CD1-CD1 3.32Å; F702-L750 HydrophobicContact CD1-CD2 4.32Å; F702-L750 HydrophobicContact CD1-CG 4.14Å; F702-L750 HydrophobicContact CE1-CD1 3.82Å; F702-L750 HydrophobicContact CG-CD1 4.24Å; F702-L750 HydrophobicContact CG-CD2 4.49Å
703F54.2Low45.3Very low3 Ų368.9 Ų68.91%0.01334%0.34CS..Hα-helixtrans-141.4-16.5-167-71.9-54.5000119.2L699 T700 A723 L750 L778 M781 L782 L785L699-F703 PolarHBondContact O-N 3.42Å; T700-F703 PolarHBondContact O-N 3.24Å; F703-A723 HydrophobicContact CD1-CB 3.43Å; F703-A723 VanDerWaalsContact CD1-CB 3.43Å; F703-A723 HydrophobicContact CE1-CB 3.39Å; F703-L750 HydrophobicContact CD2-CD1 4.15Å; F703-L750 HydrophobicContact CE2-CD1 3.79Å; F703-L778 HydrophobicContact CD2-CD1 4.49Å; F703-L778 HydrophobicContact CE2-CD1 4.24Å; F703-M781 HydrophobicContact CB-CE 4.25Å; F703-M781 HydrophobicContact CB-CG 3.3Å; F703-M781 HydrophobicContact CB-SD 3.62Å; F703-M781 HydrophobicContact CD1-CG 4.41Å; F703-M781 HydrophobicContact CD2-CG 3.83Å; F703-M781 HydrophobicContact CG-CG 3.67Å; F703-M781 HydrophobicContact CG-SD 4.46Å; F703-L782 HydrophobicContact CE2-CD2 4.27Å; F703-L782 HydrophobicContact CZ-CD2 4.22Å; F703-L785 HydrophobicContact CD1-CD1 3.38Å; F703-L785 HydrophobicContact CE1-CD1 3.33Å; F703-L785 HydrophobicContact CG-CD1 4.21Å; F703-L785 HydrophobicContact CZ-CD1 4.11Å
704V45.8Very low44Very low21 Ų2176.2 Ų76.213%0.12738%0.38CS..  trans-94.8122.6-152.2176.60000117.4T700 R706 F777 M781T700-V704 HydrophobicContact CG2-CB 4.34Å; T700-V704 HydrophobicContact CG2-CG2 4.17Å; T700-V704 PolarHBondContact O-N 3.02Å; V704-R706 HydrophobicContact CG1-CB 4.48Å; V704-F777 HydrophobicContact CB-CE1 4.48Å; V704-F777 HydrophobicContact CB-CZ 4.01Å; V704-F777 HydrophobicContact CG1-CE2 4.45Å; V704-F777 HydrophobicContact CG1-CZ 3.79Å; V704-F777 HydrophobicContact CG2-CD1 4.43Å; V704-F777 HydrophobicContact CG2-CE1 3.18Å; V704-F777 HydrophobicContact CG2-CE2 4.13Å; V704-F777 HydrophobicContact CG2-CZ 3.02Å; V704-M781 HydrophobicContact CB-CE 4.04Å; V704-M781 HydrophobicContact CG1-CE 4.37Å; V704-M781 HydrophobicContact CG2-CE 3.26Å
705Y28.6Very low42.2Very low115 Ų11583.4 Ų83.445%0.45140%0.404SS..  trans-78.8114.1154.6171.4-98.3000111
706R28.3Very low40.7Very low150 Ų15086.7 Ų86.757%0.56643%0.428SS*.  trans-125.4117.2160.2-169.9172.4179.3165.2-2.7109V506 V704 T708V506-R706 PolarHBondContact O-NH2 3.09Å; V704-R706 HydrophobicContact CG1-CB 4.48Å; R706-T708 PolarHBondContact O-N 3.41Å
707K30.5Very low39.3Very low100 Ų10091.2 Ų91.244%0.43545%0.452SS..  trans-76.267.4-179.9-158.4-178.4-176.3173.90110.7W519 L709W519-K707 HydrophobicContact CH2-CB 4.11Å; W519-K707 HydrophobicContact CH2-CG 3.69Å; W519-K707 HydrophobicContact CZ2-CB 4.23Å; W519-K707 HydrophobicContact CZ2-CD 4.37Å; W519-K707 HydrophobicContact CZ2-CG 3.32Å; K707-L709 PolarHBondContact O-N 3.09Å; K707-L709 VanDerWaalsContact O-N 3.14Å
708T30.9Very low38Very low75 Ų7589.1 Ų89.146%0.4644%0.438SS..  trans-77.497.4172.423.20000109.5R706 F710R706-T708 PolarHBondContact O-N 3.41Å; T708-F710 VanDerWaalsContact C-N 3.33Å; T708-F710 PolarHBondContact O-N 3.23Å
709L28.5Very low36.8Very low124 Ų12492.2 Ų92.265%0.64947%0.465SS*.  trans-76.581.6178.1-150.3147.1000108.8K707 K711K707-L709 PolarHBondContact O-N 3.09Å; K707-L709 VanDerWaalsContact O-N 3.14Å; L709-K711 HydrophobicContact CD2-CG 4.23Å; L709-K711 PolarHBondContact O-N 3.39Å
710F30.4Very low36Very low96 Ų9693.2 Ų93.242%0.42147%0.469SS..  trans-71.4109.2170.9-114.9-80.2000108.7L505 T708 S713L505-F710 HydrophobicContact CD1-CZ 4.17Å; L505-F710 HydrophobicContact CD2-CE1 4.32Å; L505-F710 HydrophobicContact CD2-CZ 3.79Å; L505-F710 HydrophobicContact CG-CZ 4.41Å; T708-F710 VanDerWaalsContact C-N 3.33Å; T708-F710 PolarHBondContact O-N 3.23Å; F710-S713 WeakPolarHBondContact CD1-OG 3.3Å; F710-S713 WeakPolarHBondContact CE1-OG 3.48Å; F710-S713 WeakPolarHBondContact CG-OG 3.23Å
711K33.9Very low35.9Very low182 Ų18292 Ų9279%0.79146%0.461SS*.SBendtrans-84-5175.5-118.8-179.4-177.4-178.50114.5L709L709-K711 HydrophobicContact CD2-CG 4.23Å; L709-K711 PolarHBondContact O-N 3.39Å
712N33.5Very low36.2Very low168 Ų16888.9 Ų88.990%0.89845%0.446SS*.SBendtrans-145.716.5-174.8-84.6-25.7000116.8
713S31.8Very low36.7Very low54 Ų5488.9 Ų88.938%0.37845%0.446SS..  trans-130.9113.1167.974.60000110.1F710 R715F710-S713 WeakPolarHBondContact CD1-OG 3.3Å; F710-S713 WeakPolarHBondContact CE1-OG 3.48Å; F710-S713 WeakPolarHBondContact CG-OG 3.23Å; S713-R715 PolarHBondContact O-N 3.14Å
714N28.2Very low37Very low173 Ų17392.9 Ų92.993%0.92546%0.463SS*.  trans-79.637.4-170.6-131.910.1000112.4
715R26.1Very low37.8Very low221 Ų22192.4 Ų92.483%0.83446%0.46SS*.  trans-129.197.2180-71.8-166.8179.9-175.82110.4S713 L717S713-R715 PolarHBondContact O-N 3.14Å; R715-L717 PolarHBondContact O-N 2.86Å
716P27.4Very low39.6Very low110 Ų11087.2 Ų87.271%0.71444%0.439SS*.  trans-69.2123.9-175.825.9-31.5000111.1V718P716-V718 PolarHBondContact O-N 2.93Å
717L31.1Very low41.5Very low98 Ų9881.9 Ų81.951%0.51342%0.421SS..  trans-72.3102.5172-80.4123.8000109.5I494 R715 A719I494-L717 HydrophobicContact CD1-CD2 3.63Å; I494-L717 HydrophobicContact CG1-CD2 4.04Å; R715-L717 PolarHBondContact O-N 2.86Å; L717-A719 PolarHBondContact O-N 3.28Å; L717-A719 VanDerWaalsContact O-N 3.09Å
718V30.3Very low43.3Very low39 Ų3978.5 Ų78.524%0.23641%0.412CS..  trans-81.980-177.4-171.70000110.2S522 P716 Q720S522-V718 WeakPolarHBondContact OG-CG1 3.2Å; P716-V718 PolarHBondContact O-N 2.93Å; V718-Q720 PolarHBondContact O-N 3.47Å
719A32.4Very low44.9Very low76 Ų7675.2 Ų75.263%0.62839%0.392SS*.  trans-83.2108.3166.700000109L717L717-A719 PolarHBondContact O-N 3.28Å; L717-A719 VanDerWaalsContact O-N 3.09Å
720Q40.8Very low46.8Very low23 Ų2369.7 Ų69.711%0.10736%0.363CS..  trans-70.4133.3-177.4-65.2178.7-30.300111.6S490 I619 R626 V718S490-Q720 PolarHBondContact OG-NE2 2.62Å; I619-Q720 PolarHBondContact O-OE1 3.22Å; R626-Q720 VanDerWaalsContact NH2-CD 3.34Å; V718-Q720 PolarHBondContact O-N 3.47Å
721V54.5Low48.5Very low25 Ų2571.3 Ų71.315%0.15237%0.372CS..  trans-105.692.3-178.2-171.80000110.6A723 K724 E725V721-A723 PolarHBondContact O-N 3.18Å; V721-K724 HydrophobicContact CB-CB 4.16Å; V721-K724 HydrophobicContact CG1-CB 3.67Å; V721-K724 HydrophobicContact CG1-CD 3.94Å; V721-K724 HydrophobicContact CG1-CG 3.65Å; V721-K724 PolarHBondContact O-N 2.73Å; V721-E725 WeakPolarHBondContact O-CG 3.43Å; V721-E725 PolarHBondContact O-N 3.05Å; V721-E725 VanDerWaalsContact O-N 3.14Å
722F59.8Low49.8Very low13 Ų1370.2 Ų70.26%0.05737%0.374CS..Hα-helixtrans-54.8-49-174.8-177.9-108.8000113.6C625 F667 M668 F702 E725 L726 L746C625-F722 HydrophobicContact CB-CE2 4.02Å; C625-F722 WeakPolarHBondContact SG-CE2 3.39Å; F667-F722 AromaticContact CE1-CE2 3.86Å; F667-F722 HydrophobicContact CE1-CE2 3.86Å; F667-F722 AromaticContact CE1-CZ 3.83Å; F667-F722 HydrophobicContact CE1-CZ 3.83Å; F667-F722 HydrophobicContact CZ-CE2 4.29Å; M668-F722 HydrophobicContact CE-CE1 4.44Å; M668-F722 HydrophobicContact CE-CZ 4.47Å; M668-F722 HydrophobicContact SD-CE1 4.49Å; M668-F722 HydrophobicContact SD-CZ 4.02Å; F702-F722 HydrophobicContact CD2-CD1 4.07Å; F702-F722 AromaticContact CE2-CD1 3.69Å; F702-F722 HydrophobicContact CE2-CD1 3.69Å; F702-F722 HydrophobicContact CE2-CE1 4.1Å; F722-E725 PolarHBondContact O-N 3.01Å; F722-L726 HydrophobicContact CD1-CD1 3.92Å; F722-L726 HydrophobicContact CE1-CD1 3.37Å; F722-L726 HydrophobicContact CE1-CG 4.3Å; F722-L726 HydrophobicContact CE2-CD1 4.33Å; F722-L726 HydrophobicContact CZ-CD1 3.61Å; F722-L726 HydrophobicContact CZ-CG 4.22Å; F722-L726 PolarHBondContact O-N 3.38Å; F722-L746 HydrophobicContact CE1-CD1 4.5Å
723A63.5Low51.4Low0 Ų065.2 Ų65.20%035%0.345CS..Hα-helixtrans-68.7-40-17700000113.6F703 V721 E725 L726 E727 Y743 L785F703-A723 HydrophobicContact CD1-CB 3.43Å; F703-A723 VanDerWaalsContact CD1-CB 3.43Å; F703-A723 HydrophobicContact CE1-CB 3.39Å; V721-A723 PolarHBondContact O-N 3.18Å; A723-E725 PolarHBondContact O-N 3.37Å; A723-L726 PolarHBondContact O-N 3.4Å; A723-E727 WeakPolarHBondContact O-CG 3.39Å; A723-E727 PolarHBondContact O-N 2.78Å; A723-Y743 HydrophobicContact CB-CE1 4.35Å; A723-L785 HydrophobicContact CB-CD1 4.41Å
724K61.3Low52.8Low88 Ų8871.6 Ų71.638%0.38337%0.368SS..Hα-helixtrans-65.3-33176.4-75.9-171179.7-177.90111.7V721 A728 L785V721-K724 HydrophobicContact CB-CB 4.16Å; V721-K724 HydrophobicContact CG1-CB 3.67Å; V721-K724 HydrophobicContact CG1-CD 3.94Å; V721-K724 HydrophobicContact CG1-CG 3.65Å; V721-K724 PolarHBondContact O-N 2.73Å; K724-A728 WeakPolarHBondContact O-CB 3.48Å; K724-A728 PolarHBondContact O-N 3.21Å; K724-L785 HydrophobicContact CG-CD2 4.17Å
725E61.1Low54.6Low11 Ų1168.4 Ų68.45%0.05134%0.343CS..Hα-helixtrans-71.1-40.1176.3-73179162.800112.2R626 V721 F722 A723 A728 A729R626-E725 WeakPolarHBondContact CG-OE2 3.38Å; R626-E725 VanDerWaalsContact CZ-CD 3.48Å; R626-E725 IonicContact CZ-OE1 3.66Å; R626-E725 IonicContact CZ-OE2 3.59Å; R626-E725 VanDerWaalsContact NE-CD 3.33Å; R626-E725 IonicContact NE-OE1 3.56Å; R626-E725 PolarHBondContact NE-OE1 3.25Å; R626-E725 IonicContact NE-OE2 2.73Å; R626-E725 PolarHBondContact NE-OE2 2.92Å; R626-E725 IonicContact NH1-OE1 3.69Å; R626-E725 IonicContact NH2-OE1 3.89Å; R626-E725 PolarHBondContact NH2-OE1 3.37Å; R626-E725 IonicContact NH2-OE2 3.88Å; R626-E725 PolarHBondContact NH2-OE2 2.8Å; V721-E725 WeakPolarHBondContact O-CG 3.43Å; V721-E725 PolarHBondContact O-N 3.05Å; V721-E725 VanDerWaalsContact O-N 3.14Å; F722-E725 PolarHBondContact O-N 3.01Å; A723-E725 PolarHBondContact O-N 3.37Å; E725-A728 PolarHBondContact O-N 3.17Å; E725-A729 VanDerWaalsContact O-CB 3.26Å; E725-A729 WeakPolarHBondContact O-CB 3.42Å; E725-A729 PolarHBondContact O-N 3.1Å
726L66.9Low56.6Low5 Ų562.2 Ų62.23%0.02632%0.32CS..Hα-helixtrans-59.4-50.5170.2-73.9176.9000110.8V629 F664 F722 A723 A728 A729 Y730 V739 Y743V629-L726 HydrophobicContact CB-CD2 4.47Å; V629-L726 HydrophobicContact CG1-CD2 4.14Å; V629-L726 HydrophobicContact CG2-CD2 3.6Å; F664-L726 HydrophobicContact CE2-CD2 4.26Å; F722-L726 HydrophobicContact CD1-CD1 3.92Å; F722-L726 HydrophobicContact CE1-CD1 3.37Å; F722-L726 HydrophobicContact CE1-CG 4.3Å; F722-L726 HydrophobicContact CE2-CD1 4.33Å; F722-L726 HydrophobicContact CZ-CD1 3.61Å; F722-L726 HydrophobicContact CZ-CG 4.22Å; F722-L726 PolarHBondContact O-N 3.38Å; A723-L726 PolarHBondContact O-N 3.4Å; L726-A728 VanDerWaalsContact C-N 3.33Å; L726-A728 PolarHBondContact O-N 2.84Å; L726-A729 PolarHBondContact O-N 3.06Å; L726-Y730 HydrophobicContact CD2-CE2 4.44Å; L726-Y730 WeakPolarHBondContact O-CD2 3.29Å; L726-Y730 PolarHBondContact O-N 3.43Å; L726-V739 HydrophobicContact CB-CG1 4.42Å; L726-V739 HydrophobicContact CD1-CG1 4.13Å; L726-Y743 HydrophobicContact CD1-CE1 4.43Å
727E69.5Low58.7Low38 Ų3860.9 Ų60.918%0.17831%0.313CS..Hα-helixtrans-60-42.3177.7-69.3-57.6119.400112.2A723 A729 Y730 E731 R736 Y743 I787A723-E727 WeakPolarHBondContact O-CG 3.39Å; A723-E727 PolarHBondContact O-N 2.78Å; E727-A729 VanDerWaalsContact C-N 3.3Å; E727-A729 PolarHBondContact O-N 3.11Å; E727-Y730 PolarHBondContact O-N 2.75Å; E727-E731 PolarHBondContact O-N 2.71Å; E727-R736 IonicContact OE2-CZ 3.92Å; E727-R736 IonicContact OE2-NE 2.82Å; E727-R736 IonicContact OE2-NH2 3.43Å; E727-R736 PolarHBondContact OE2-NH2 3.26Å; E727-Y743 WeakPolarHBondContact OE1-CE2 3.47Å; E727-Y743 VanDerWaalsContact OE1-CZ 3.24Å; E727-Y743 PolarHBondContact OE1-OH 2.88Å; E727-I787 HydrophobicContact CG-CD1 4.18Å; E727-I787 HydrophobicContact CG-CG1 4.47Å
728A66.5Low60.5Low30 Ų3057.8 Ų57.825%0.24830%0.296CS..Hα-helixtrans-76.9-12.4179.900000114.2K529 K724 E725 L726K529-A728 PolarHBondContact NZ-O 3.24Å; K724-A728 WeakPolarHBondContact O-CB 3.48Å; K724-A728 PolarHBondContact O-N 3.21Å; E725-A728 PolarHBondContact O-N 3.17Å; L726-A728 VanDerWaalsContact C-N 3.33Å; L726-A728 PolarHBondContact O-N 2.84Å
729A65.5Low62.3Low5 Ų556 Ų564%0.04129%0.285CS..Hα-helixtrans-89.5-34.5171.500000111.4V629 Y630 E725 L726 E727V629-A729 HydrophobicContact CG1-CB 3.54Å; Y630-A729 HydrophobicContact CD1-CB 4.37Å; Y630-A729 HydrophobicContact CE1-CB 4Å; Y630-A729 HydrophobicContact CE2-CB 4.37Å; E725-A729 VanDerWaalsContact O-CB 3.26Å; E725-A729 WeakPolarHBondContact O-CB 3.42Å; E725-A729 PolarHBondContact O-N 3.1Å; L726-A729 PolarHBondContact O-N 3.06Å; E727-A729 VanDerWaalsContact C-N 3.3Å; E727-A729 PolarHBondContact O-N 3.11Å
730Y68.1Low64.4Low8 Ų854 Ų543%0.03126%0.264CS..Hα-helixtrans-96.46.6-179.8-75.3-86.4000114.4V629 L632 L726 E727 N732 K733 V739V629-Y730 HydrophobicContact CG1-CD2 4.17Å; V629-Y730 HydrophobicContact CG1-CE2 3.57Å; L632-Y730 WeakPolarHBondContact CD2-OH 3.25Å; L726-Y730 HydrophobicContact CD2-CE2 4.44Å; L726-Y730 WeakPolarHBondContact O-CD2 3.29Å; L726-Y730 PolarHBondContact O-N 3.43Å; E727-Y730 PolarHBondContact O-N 2.75Å; Y730-N732 PolarHBondContact O-N 3.49Å; Y730-N732 VanDerWaalsContact O-N 3.17Å; Y730-K733 HydrophobicContact CD1-CB 4.29Å; Y730-K733 PolarHBondContact O-N 3.12Å; Y730-V739 HydrophobicContact CD1-CG2 4.15Å; Y730-V739 HydrophobicContact CD2-CG2 3.56Å; Y730-V739 HydrophobicContact CE1-CG2 3.93Å; Y730-V739 HydrophobicContact CE2-CG2 3.3Å; Y730-V739 HydrophobicContact CG-CG2 3.97Å; Y730-V739 VanDerWaalsContact CZ-CG2 3.5Å
731E65.4Low66.2Low131 Ų13161.5 Ų61.561%0.61229%0.291SS*.THydrogen-bonded Turntrans-56120.5176.1-165.9170.6-172.200110.2E727 K733E727-E731 PolarHBondContact O-N 2.71Å; E731-K733 VanDerWaalsContact C-N 3.29Å; E731-K733 PolarHBondContact O-N 3.27Å
732N63.1Low67Low158 Ų15861.5 Ų61.585%0.84529%0.289SS*.THydrogen-bonded Turntrans61.822.1-176.9-54-38000116.3Y730Y730-N732 PolarHBondContact O-N 3.49Å; Y730-N732 VanDerWaalsContact O-N 3.17Å
733K66.7Low67.8Low64 Ų6460.9 Ų60.928%0.27829%0.286SS..  trans-96.1137.4177.7-59.7-62.6-179.4-176.70112.6D637 Y730 E731 R735 R736D637-K733 WeakPolarHBondContact OD1-CD 3.46Å; D637-K733 IonicContact OD1-NZ 2.85Å; D637-K733 PolarHBondContact OD1-NZ 3.09Å; D637-K733 VanDerWaalsContact OD1-NZ 3.14Å; D637-K733 WeakPolarHBondContact OD2-CE 3.26Å; D637-K733 IonicContact OD2-NZ 3.71Å; D637-K733 PolarHBondContact OD2-NZ 3.5Å; Y730-K733 HydrophobicContact CD1-CB 4.29Å; Y730-K733 PolarHBondContact O-N 3.12Å; E731-K733 VanDerWaalsContact C-N 3.29Å; E731-K733 PolarHBondContact O-N 3.27Å; K733-R735 VanDerWaalsContact C-N 3.25Å; K733-R735 PolarHBondContact O-N 3.15Å; K733-R736 PolarHBondContact O-N 2.99Å
734Q61.4Low68.4Low187 Ų18762 Ų6287%0.87429%0.293SS*.THydrogen-bonded Turntrans-61-28-177.9-71.8-174.6-4.800114.1R736Q734-R736 PolarHBondContact O-N 2.95Å
735R66.2Low69Low107 Ų10760.6 Ų60.640%0.40429%0.292SS..THydrogen-bonded Turntrans-93.521.7-175.7-68.6-165.8179.9-1564.9115.3K733 S737 E738K733-R735 VanDerWaalsContact C-N 3.25Å; K733-R735 PolarHBondContact O-N 3.15Å; R735-S737 PolarHBondContact O-N 2.95Å; R735-S737 VanDerWaalsContact O-N 3.09Å; R735-E738 IonicContact NH1-OE1 3.39Å; R735-E738 PolarHBondContact O-N 3.42Å; R735-E738 VanDerWaalsContact O-N 3.1Å
736R67.4Low69.5Low91 Ų9160.4 Ų60.434%0.34329%0.291SS..THydrogen-bonded Turntrans-53.6-30.1177.3-171.1178.1-175.9171.52.4113.7E727 K733 Q734 E738 V739 D740E727-R736 IonicContact OE2-CZ 3.92Å; E727-R736 IonicContact OE2-NE 2.82Å; E727-R736 IonicContact OE2-NH2 3.43Å; E727-R736 PolarHBondContact OE2-NH2 3.26Å; K733-R736 PolarHBondContact O-N 2.99Å; Q734-R736 PolarHBondContact O-N 2.95Å; R736-E738 PolarHBondContact O-N 2.99Å; R736-E738 VanDerWaalsContact O-N 3.12Å; R736-V739 PolarHBondContact O-N 3.15Å; R736-D740 PolarHBondContact O-N 3.29Å; R736-D740 VanDerWaalsContact O-N 3.07Å
737S70.5Confident69.9Low81 Ų8160.1 Ų60.157%0.56629%0.29SS*.Hα-helixtrans-57-26.2177.956.40000114.4R735 R741R735-S737 PolarHBondContact O-N 2.95Å; R735-S737 VanDerWaalsContact O-N 3.09Å; S737-R741 PolarHBondContact O-N 2.9Å
738E69.2Low70.3Confident33 Ų3364.3 Ų64.315%0.15430%0.304CS..Hα-helixtrans-69.5-35.6176.5-63.1-169.4160.900112K661 R735 R736 W742K661-E738 IonicContact NZ-OE1 3.39Å; K661-E738 PolarHBondContact NZ-OE1 3.25Å; K661-E738 IonicContact NZ-OE2 3.59Å; R735-E738 IonicContact NH1-OE1 3.39Å; R735-E738 PolarHBondContact O-N 3.42Å; R735-E738 VanDerWaalsContact O-N 3.1Å; R736-E738 PolarHBondContact O-N 2.99Å; R736-E738 VanDerWaalsContact O-N 3.12Å; E738-W742 VanDerWaalsContact O-CD1 3.28Å
739V69.1Low70.5Confident1 Ų163.9 Ų63.91%0.00630%0.298CS..Hα-helixtrans-78.9-39.4176.2-173.70000110.8L726 Y730 R736 R741 W742 Y743L726-V739 HydrophobicContact CB-CG1 4.42Å; L726-V739 HydrophobicContact CD1-CG1 4.13Å; Y730-V739 HydrophobicContact CD1-CG2 4.15Å; Y730-V739 HydrophobicContact CD2-CG2 3.56Å; Y730-V739 HydrophobicContact CE1-CG2 3.93Å; Y730-V739 HydrophobicContact CE2-CG2 3.3Å; Y730-V739 HydrophobicContact CG-CG2 3.97Å; Y730-V739 VanDerWaalsContact CZ-CG2 3.5Å; R736-V739 PolarHBondContact O-N 3.15Å; V739-R741 PolarHBondContact O-N 2.91Å; V739-R741 VanDerWaalsContact O-N 3.13Å; V739-W742 PolarHBondContact O-N 3.4Å; V739-Y743 HydrophobicContact CB-CE2 4.5Å; V739-Y743 HydrophobicContact CG1-CD2 4.17Å; V739-Y743 HydrophobicContact CG1-CE2 3.57Å; V739-Y743 PolarHBondContact O-N 3.35Å
740D75.6Confident70.9Confident36 Ų3663.7 Ų63.719%0.19330%0.297CS..Hα-helixtrans-56.1-30.7177.4-73-31.8000112.6R736 W742 P744 C789R736-D740 PolarHBondContact O-N 3.29Å; R736-D740 VanDerWaalsContact O-N 3.07Å; D740-W742 VanDerWaalsContact C-N 3.27Å; D740-W742 PolarHBondContact O-N 3.39Å; D740-P744 WeakPolarHBondContact O-CD 3.5Å; D740-C789 HydrophobicContact CB-CB 4.16Å; D740-C789 PolarHBondContact OD1-SG 2.87Å
741R78.8Confident71.5Confident179 Ų17964.6 Ų64.668%0.67530%0.3SS*.THydrogen-bonded Turntrans-62-32.7174.2-177.3-179.3177-170.40.1113.2S737 V739S737-R741 PolarHBondContact O-N 2.9Å; V739-R741 PolarHBondContact O-N 2.91Å; V739-R741 VanDerWaalsContact O-N 3.13Å
742W72.3Confident72.1Confident25 Ų2564.2 Ų64.210%0.09530%0.298CS..THydrogen-bonded Turntrans-90-30.8-173.5-71112.2000113.6F664 D665 M668 V669 E738 V739 D740 T745 L746F664-W742 AromaticContact CE1-CD1 3.72Å; F664-W742 AromaticContact CE1-NE1 3.85Å; D665-W742 HydrophobicContact CB-CZ2 4.25Å; D665-W742 PolarHBondContact OD1-NE1 3.26Å; M668-W742 HydrophobicContact CB-CD2 3.44Å; M668-W742 VanDerWaalsContact CB-CD2 3.44Å; M668-W742 HydrophobicContact CB-CE3 3.63Å; M668-W742 HydrophobicContact CB-CG 3.96Å; M668-W742 HydrophobicContact CB-CH2 4.21Å; M668-W742 HydrophobicContact CB-CZ2 3.96Å; M668-W742 HydrophobicContact CB-CZ3 4.01Å; M668-W742 HydrophobicContact CE-CB 3.32Å; M668-W742 HydrophobicContact CE-CD2 4.31Å; M668-W742 HydrophobicContact CE-CG 3.63Å; M668-W742 HydrophobicContact CG-CD2 4.02Å; M668-W742 HydrophobicContact CG-CG 4.01Å; V669-W742 HydrophobicContact CB-CH2 4.36Å; V669-W742 HydrophobicContact CG2-CH2 3.31Å; V669-W742 HydrophobicContact CG2-CZ2 4.06Å; V669-W742 HydrophobicContact CG2-CZ3 4.06Å; E738-W742 VanDerWaalsContact O-CD1 3.28Å; V739-W742 PolarHBondContact O-N 3.4Å; D740-W742 VanDerWaalsContact C-N 3.27Å; D740-W742 PolarHBondContact O-N 3.39Å; W742-T745 WeakPolarHBondContact O-CB 3.29Å; W742-T745 PolarHBondContact O-N 3.1Å; W742-L746 HydrophobicContact CB-CD1 4.47Å; W742-L746 WeakPolarHBondContact O-CG 3.41Å; W742-L746 PolarHBondContact O-N 3.38Å
743Y75.2Confident72.4Confident1 Ų156.7 Ų56.70%0.00426%0.258CS..Hα-helixtrans-51.8-46.3179.8-79.6-51.6000113.6A723 L726 E727 V739 T745 L746 V747 I787 L790A723-Y743 HydrophobicContact CB-CE1 4.35Å; L726-Y743 HydrophobicContact CD1-CE1 4.43Å; E727-Y743 WeakPolarHBondContact OE1-CE2 3.47Å; E727-Y743 VanDerWaalsContact OE1-CZ 3.24Å; E727-Y743 PolarHBondContact OE1-OH 2.88Å; V739-Y743 HydrophobicContact CB-CE2 4.5Å; V739-Y743 HydrophobicContact CG1-CD2 4.17Å; V739-Y743 HydrophobicContact CG1-CE2 3.57Å; V739-Y743 PolarHBondContact O-N 3.35Å; Y743-T745 VanDerWaalsContact C-N 3.32Å; Y743-T745 PolarHBondContact O-N 3.41Å; Y743-L746 HydrophobicContact CD1-CD1 4.47Å; Y743-L746 PolarHBondContact O-N 2.87Å; Y743-V747 WeakPolarHBondContact O-CG2 3.46Å; Y743-V747 PolarHBondContact O-N 3.04Å; Y743-V747 VanDerWaalsContact O-N 3.09Å; Y743-I787 HydrophobicContact CD2-CG2 4.17Å; Y743-I787 HydrophobicContact CE1-CD1 4.15Å; Y743-I787 HydrophobicContact CE2-CD1 4.15Å; Y743-I787 HydrophobicContact CE2-CG2 4.27Å; Y743-L790 HydrophobicContact CD1-CD1 4.43Å; Y743-L790 HydrophobicContact CG-CD1 4.33Å
744P76.6Confident73Confident22 Ų2253.7 Ų53.714%0.14325%0.245CC..Hα-helixtrans-59.2-39.9175.4-29.137.5000114.1D740 R748 L793D740-P744 WeakPolarHBondContact O-CD 3.5Å; P744-R748 VanDerWaalsContact O-CG 3.26Å; P744-R748 WeakPolarHBondContact O-CG 3.38Å; P744-R748 PolarHBondContact O-N 3.38Å; P744-R748 VanDerWaalsContact O-N 3.1Å; P744-L793 VanDerWaalsContact CA-CD1 3.44Å; P744-L793 HydrophobicContact CB-CD1 3.7Å; P744-L793 HydrophobicContact CG-CD1 4.23Å
745T73.1Confident74.1Confident59 Ų5947 Ų4736%0.36221%0.214SC..Hα-helixtrans-64.1-45179-54.60000110.5W742 Y743 V747 R748 T749W742-T745 WeakPolarHBondContact O-CB 3.29Å; W742-T745 PolarHBondContact O-N 3.1Å; Y743-T745 VanDerWaalsContact C-N 3.32Å; Y743-T745 PolarHBondContact O-N 3.41Å; T745-V747 PolarHBondContact O-N 3.27Å; T745-R748 PolarHBondContact O-N 3.47Å; T745-T749 PolarHBondContact O-N 3.28Å; T745-T749 PolarHBondContact O-OG1 2.87Å
746L71.7Confident74.7Confident7 Ų744.1 Ų44.14%0.03721%0.208CC..Hα-helixtrans-63.6-44.9-179.4-63.2159.3000111.9M668 W673 F702 F722 W742 Y743 R748 T749 L750M668-L746 HydrophobicContact CE-CD1 3.64Å; M668-L746 HydrophobicContact CE-CG 4.44Å; W673-L746 HydrophobicContact CH2-CD2 3.7Å; W673-L746 HydrophobicContact CZ3-CD2 4.09Å; F702-L746 HydrophobicContact CE1-CB 3.79Å; F702-L746 HydrophobicContact CE2-CB 3.87Å; F702-L746 HydrophobicContact CE2-CD1 3.64Å; F702-L746 HydrophobicContact CE2-CD2 3.91Å; F702-L746 HydrophobicContact CE2-CG 3.99Å; F702-L746 HydrophobicContact CZ-CB 3.24Å; F702-L746 HydrophobicContact CZ-CD1 3.41Å; F702-L746 VanDerWaalsContact CZ-CD1 3.41Å; F702-L746 HydrophobicContact CZ-CD2 4.17Å; F702-L746 HydrophobicContact CZ-CG 3.75Å; F722-L746 HydrophobicContact CE1-CD1 4.5Å; W742-L746 HydrophobicContact CB-CD1 4.47Å; W742-L746 WeakPolarHBondContact O-CG 3.41Å; W742-L746 PolarHBondContact O-N 3.38Å; Y743-L746 HydrophobicContact CD1-CD1 4.47Å; Y743-L746 PolarHBondContact O-N 2.87Å; L746-R748 VanDerWaalsContact C-N 3.31Å; L746-R748 PolarHBondContact O-N 3.1Å; L746-T749 WeakPolarHBondContact O-CB 3.3Å; L746-T749 PolarHBondContact O-N 2.79Å; L746-T749 VanDerWaalsContact O-N 3.15Å; L746-L750 WeakPolarHBondContact O-CG 3.47Å; L746-L750 PolarHBondContact O-N 3.25Å
747V75.9Confident75Confident0 Ų039.9 Ų39.90%019%0.192CC..Hα-helixtrans-62.6-39.2176.9175.10000111.3Y743 T745 T749 L750 W751 L782 L790 L793Y743-V747 WeakPolarHBondContact O-CG2 3.46Å; Y743-V747 PolarHBondContact O-N 3.04Å; Y743-V747 VanDerWaalsContact O-N 3.09Å; T745-V747 PolarHBondContact O-N 3.27Å; V747-T749 VanDerWaalsContact C-N 3.34Å; V747-T749 PolarHBondContact O-N 2.82Å; V747-L750 WeakPolarHBondContact O-CB 3.07Å; V747-L750 PolarHBondContact O-N 3.08Å; V747-W751 HydrophobicContact CG1-CZ2 4.42Å; V747-W751 PolarHBondContact O-N 2.7Å; V747-L782 HydrophobicContact CG1-CD1 4.31Å; V747-L782 HydrophobicContact CG2-CD2 4Å; V747-L790 HydrophobicContact CG2-CD1 4.24Å; V747-L790 HydrophobicContact CG2-CD2 3.76Å; V747-L793 HydrophobicContact CB-CD1 4.25Å; V747-L793 HydrophobicContact CG1-CB 4.25Å; V747-L793 HydrophobicContact CG1-CD1 4.42Å
748R78.8Confident75.5Confident125 Ų12536 Ų3647%0.47217%0.166SC..Hα-helixtrans-64.4-37.7174-70.7177.3-167.6116.2-1.1112.3P744 T745 L746 L750 W751 Q752 L793P744-R748 VanDerWaalsContact O-CG 3.26Å; P744-R748 WeakPolarHBondContact O-CG 3.38Å; P744-R748 PolarHBondContact O-N 3.38Å; P744-R748 VanDerWaalsContact O-N 3.1Å; T745-R748 PolarHBondContact O-N 3.47Å; L746-R748 VanDerWaalsContact C-N 3.31Å; L746-R748 PolarHBondContact O-N 3.1Å; R748-L750 VanDerWaalsContact C-N 3.33Å; R748-W751 HydrophobicContact CG-CE3 4.28Å; R748-W751 HydrophobicContact CG-CZ3 4.41Å; R748-W751 WeakPolarHBondContact O-CB 3.2Å; R748-W751 PolarHBondContact O-N 3.32Å; R748-Q752 WeakPolarHBondContact O-CG 3.38Å; R748-Q752 PolarHBondContact O-N 2.68Å; R748-L793 HydrophobicContact CG-CD2 4.39Å
749T69.8Low76Confident21 Ų2138.5 Ų38.513%0.12918%0.18CC..Hα-helixtrans-64.5-37.9173.2-50.10000111.6F682 V683 T745 L746 V747 Q752 S753F682-T749 HydrophobicContact CB-CG2 4.41Å; V683-T749 HydrophobicContact CG2-CG2 4.2Å; T745-T749 PolarHBondContact O-N 3.28Å; T745-T749 PolarHBondContact O-OG1 2.87Å; L746-T749 WeakPolarHBondContact O-CB 3.3Å; L746-T749 PolarHBondContact O-N 2.79Å; L746-T749 VanDerWaalsContact O-N 3.15Å; V747-T749 VanDerWaalsContact C-N 3.34Å; V747-T749 PolarHBondContact O-N 2.82Å; T749-Q752 PolarHBondContact O-N 3.01Å; T749-S753 WeakPolarHBondContact O-CB 3.47Å; T749-S753 PolarHBondContact O-N 3.11Å; T749-S753 PolarHBondContact O-OG 3.18Å
750L74.8Confident76.4Confident2 Ų238.7 Ų38.71%0.0118%0.181CC..Hα-helixtrans-63.9-42.9173.3-64.5173.6000111.6F682 L699 F702 F703 L746 V747 R748 Q752 S753 I754 L778F682-L750 HydrophobicContact CD1-CD2 4.49Å; L699-L750 HydrophobicContact CD2-CB 3.97Å; L699-L750 HydrophobicContact CD2-CD1 3.9Å; L699-L750 HydrophobicContact CD2-CD2 3.98Å; L699-L750 HydrophobicContact CD2-CG 4.15Å; F702-L750 HydrophobicContact CB-CD2 4.33Å; F702-L750 HydrophobicContact CD1-CD1 3.32Å; F702-L750 HydrophobicContact CD1-CD2 4.32Å; F702-L750 HydrophobicContact CD1-CG 4.14Å; F702-L750 HydrophobicContact CE1-CD1 3.82Å; F702-L750 HydrophobicContact CG-CD1 4.24Å; F702-L750 HydrophobicContact CG-CD2 4.49Å; F703-L750 HydrophobicContact CD2-CD1 4.15Å; F703-L750 HydrophobicContact CE2-CD1 3.79Å; L746-L750 WeakPolarHBondContact O-CG 3.47Å; L746-L750 PolarHBondContact O-N 3.25Å; V747-L750 WeakPolarHBondContact O-CB 3.07Å; V747-L750 PolarHBondContact O-N 3.08Å; R748-L750 VanDerWaalsContact C-N 3.33Å; L750-Q752 VanDerWaalsContact C-N 3.35Å; L750-Q752 PolarHBondContact O-N 2.9Å; L750-S753 WeakPolarHBondContact O-CB 3.31Å; L750-S753 PolarHBondContact O-N 2.93Å; L750-S753 VanDerWaalsContact O-N 3.11Å; L750-I754 VanDerWaalsContact O-CG1 3.3Å; L750-I754 WeakPolarHBondContact O-CG1 3.28Å; L750-I754 PolarHBondContact O-N 2.74Å; L750-L778 HydrophobicContact CB-CD2 4.47Å; L750-L778 HydrophobicContact CD1-CD1 3.82Å
751W80.2Confident76.2Confident26 Ų2641.9 Ų41.910%0.09820%0.204CC..Hα-helixtrans-57.4-48.2173.7-69.8-11000111.9V747 R748 S753 I754 E755 Y775 L778 L793 E796 T797 K800V747-W751 HydrophobicContact CG1-CZ2 4.42Å; V747-W751 PolarHBondContact O-N 2.7Å; R748-W751 HydrophobicContact CG-CE3 4.28Å; R748-W751 HydrophobicContact CG-CZ3 4.41Å; R748-W751 WeakPolarHBondContact O-CB 3.2Å; R748-W751 PolarHBondContact O-N 3.32Å; W751-S753 PolarHBondContact O-N 2.96Å; W751-I754 PolarHBondContact O-N 2.95Å; W751-I754 VanDerWaalsContact O-N 3.15Å; W751-E755 WeakPolarHBondContact O-CG 3.24Å; W751-E755 PolarHBondContact O-N 3.42Å; W751-Y775 AromaticContact CD1-CE1 3.65Å; W751-Y775 HydrophobicContact CG-CE1 4.27Å; W751-L778 VanDerWaalsContact CD1-CD2 3.46Å; W751-L793 HydrophobicContact CH2-CD2 3.35Å; W751-L793 HydrophobicContact CZ2-CD2 3.91Å; W751-L793 HydrophobicContact CZ3-CD2 3.84Å; W751-E796 HydrophobicContact CH2-CB 3.62Å; W751-E796 HydrophobicContact CH2-CG 4.45Å; W751-E796 VanDerWaalsContact CH2-OE2 3.24Å; W751-E796 WeakPolarHBondContact CH2-OE2 3.42Å; W751-E796 HydrophobicContact CZ2-CB 3.92Å; W751-T797 WeakPolarHBondContact CZ2-OG1 3.33Å; W751-T797 PolarHBondContact NE1-OG1 3.33Å; W751-T797 VanDerWaalsContact NE1-OG1 3.1Å; W751-K800 HydrophobicContact CD2-CD 4.32Å; W751-K800 HydrophobicContact CZ2-CD 4.4Å
752Q78Confident75.8Confident123 Ų12337 Ų3758%0.57519%0.188SC*.Hα-helixtrans-57.9-37.2176.1-71.9173.8-10.700111.9R748 T749 L750 E755 T756R748-Q752 WeakPolarHBondContact O-CG 3.38Å; R748-Q752 PolarHBondContact O-N 2.68Å; T749-Q752 PolarHBondContact O-N 3.01Å; L750-Q752 VanDerWaalsContact C-N 3.35Å; L750-Q752 PolarHBondContact O-N 2.9Å; Q752-E755 PolarHBondContact O-N 3.36Å; Q752-T756 VanDerWaalsContact O-CB 3.3Å; Q752-T756 WeakPolarHBondContact O-CB 3.45Å; Q752-T756 PolarHBondContact O-N 2.92Å; Q752-T756 PolarHBondContact O-OG1 2.95Å
753S70.3Confident75.8Confident1 Ų137 Ų371%0.00719%0.192CC..Hα-helixtrans-71.6-35.9179.2-54.40000112.3F682 T749 L750 W751 A757F682-S753 WeakPolarHBondContact O-CB 3.39Å; F682-S753 PolarHBondContact O-OG 3Å; T749-S753 WeakPolarHBondContact O-CB 3.47Å; T749-S753 PolarHBondContact O-N 3.11Å; T749-S753 PolarHBondContact O-OG 3.18Å; L750-S753 WeakPolarHBondContact O-CB 3.31Å; L750-S753 PolarHBondContact O-N 2.93Å; L750-S753 VanDerWaalsContact O-N 3.11Å; W751-S753 PolarHBondContact O-N 2.96Å; S753-A757 WeakPolarHBondContact O-CB 3.23Å; S753-A757 PolarHBondContact O-N 2.97Å
754I79.1Confident75.5Confident0 Ų043.5 Ų43.50%022%0.221CC..Hα-helixtrans-63.4-49.1171.7-65.4169.4000110.2L696 L699 L750 W751 T756 A757 A758 N774 Y775 L778L696-I754 HydrophobicContact CD1-CB 4.39Å; L696-I754 HydrophobicContact CD1-CG1 3.89Å; L699-I754 HydrophobicContact CD1-CD1 4.13Å; L699-I754 HydrophobicContact CD1-CG1 4.24Å; L699-I754 HydrophobicContact CD2-CD1 4.23Å; L750-I754 VanDerWaalsContact O-CG1 3.3Å; L750-I754 WeakPolarHBondContact O-CG1 3.28Å; L750-I754 PolarHBondContact O-N 2.74Å; W751-I754 PolarHBondContact O-N 2.95Å; W751-I754 VanDerWaalsContact O-N 3.15Å; I754-T756 PolarHBondContact O-N 3.25Å; I754-A757 PolarHBondContact O-N 3.02Å; I754-A758 WeakPolarHBondContact O-CB 3.48Å; I754-A758 PolarHBondContact O-N 3.45Å; I754-N774 HydrophobicContact CD1-CB 3.98Å; I754-N774 HydrophobicContact CG1-CB 3.86Å; I754-N774 HydrophobicContact CG2-CB 3.97Å; I754-Y775 HydrophobicContact CD1-CD1 3.91Å; I754-Y775 HydrophobicContact CD1-CE1 3.9Å; I754-Y775 HydrophobicContact CD1-CG 4.49Å; I754-Y775 HydrophobicContact CG2-CD2 4.17Å; I754-Y775 HydrophobicContact CG2-CE1 4.41Å; I754-Y775 HydrophobicContact CG2-CE2 3.82Å; I754-L778 HydrophobicContact CD1-CD2 3.92Å
755E83.9Confident75.2Confident47 Ų4742.9 Ų42.922%0.2222%0.216CC..Hα-helixtrans-64-41.9178.8-63.3-55.7157.800111.7W751 Q752 A757 A758 D759 R771 Y775 K800W751-E755 WeakPolarHBondContact O-CG 3.24Å; W751-E755 PolarHBondContact O-N 3.42Å; Q752-E755 PolarHBondContact O-N 3.36Å; E755-A757 VanDerWaalsContact C-N 3.29Å; E755-A757 PolarHBondContact O-N 3.19Å; E755-A758 PolarHBondContact O-N 2.82Å; E755-D759 WeakPolarHBondContact O-CB 3.44Å; E755-D759 PolarHBondContact O-N 2.73Å; E755-R771 IonicContact OE2-CZ 3.79Å; E755-R771 IonicContact OE2-NE 3.84Å; E755-R771 PolarHBondContact OE2-NE 2.87Å; E755-R771 IonicContact OE2-NH2 2.98Å; E755-R771 PolarHBondContact OE2-NH2 3.43Å; E755-R771 VanDerWaalsContact OE2-NH2 3.11Å; E755-Y775 WeakPolarHBondContact OE1-CE2 3.21Å; E755-Y775 PolarHBondContact OE1-OH 3.36Å; E755-K800 IonicContact OE1-NZ 2.71Å
756T77.7Confident75.4Confident47 Ų4742.2 Ų42.229%0.28821%0.213SC..Hα-helixtrans-62.3-37.8177.9-56.50000112Q752 I754 D760Q752-T756 VanDerWaalsContact O-CB 3.3Å; Q752-T756 WeakPolarHBondContact O-CB 3.45Å; Q752-T756 PolarHBondContact O-N 2.92Å; Q752-T756 PolarHBondContact O-OG1 2.95Å; I754-T756 PolarHBondContact O-N 3.25Å; T756-D760 PolarHBondContact O-N 3.4Å
757A75.4Confident75.9Confident1 Ų144.8 Ų44.81%0.00823%0.23CC..Hα-helixtrans-73.5-36.7176.100000112.4Y693 L696 S753 I754 E755 D760 V770Y693-A757 HydrophobicContact CD1-CB 4.25Å; Y693-A757 HydrophobicContact CE1-CB 4.43Å; L696-A757 HydrophobicContact CD1-CB 3.95Å; L696-A757 HydrophobicContact CD2-CB 3.8Å; L696-A757 HydrophobicContact CG-CB 4.44Å; S753-A757 WeakPolarHBondContact O-CB 3.23Å; S753-A757 PolarHBondContact O-N 2.97Å; I754-A757 PolarHBondContact O-N 3.02Å; E755-A757 VanDerWaalsContact C-N 3.29Å; E755-A757 PolarHBondContact O-N 3.19Å; A757-D760 PolarHBondContact O-N 2.82Å; A757-V770 HydrophobicContact CB-CG1 4.26Å
758A79.6Confident76.2Confident1 Ų145 Ų451%0.00823%0.232CC..Hα-helixtrans-67.7-37.617700000112I754 E755 D760 P767 V770 R771I754-A758 WeakPolarHBondContact O-CB 3.48Å; I754-A758 PolarHBondContact O-N 3.45Å; E755-A758 PolarHBondContact O-N 2.82Å; A758-D760 VanDerWaalsContact C-N 3.27Å; A758-D760 PolarHBondContact O-N 2.96Å; A758-P767 HydrophobicContact CB-CB 4.44Å; A758-P767 WeakPolarHBondContact O-CB 3.24Å; A758-P767 WeakPolarHBondContact O-CG 3.35Å; A758-V770 HydrophobicContact CB-CB 4.21Å; A758-V770 HydrophobicContact CB-CG1 4.14Å; A758-R771 HydrophobicContact CB-CG 3.71Å
759D80.8Confident76.4Confident84 Ų8439 Ų3945%0.44921%0.21SC..THydrogen-bonded Turntrans-86.29.7179-63.1-23.9000113.3E755 P761 R771E755-D759 WeakPolarHBondContact O-CB 3.44Å; E755-D759 PolarHBondContact O-N 2.73Å; D759-P761 VanDerWaalsContact O-CD 3.26Å; D759-P761 WeakPolarHBondContact O-CD 3.3Å; D759-R771 IonicContact OD1-CZ 3.59Å; D759-R771 IonicContact OD1-NH2 3.71Å; D759-R771 PolarHBondContact OD1-NH2 2.98Å; D759-R771 IonicContact OD2-NH2 3.83Å
760D77.4Confident76.9Confident6 Ų638 Ų383%0.03220%0.204CC..  trans-74.3114.9176.3-172.7-3.3000110.3R686 S687 Y693 T756 A757 A758 H762 S763R686-D760 HydrophobicContact CG-CB 4.33Å; S687-D760 PolarHBondContact N-OD2 3.3Å; S687-D760 PolarHBondContact OG-OD2 2.88Å; Y693-D760 HydrophobicContact CE2-CB 3.95Å; Y693-D760 WeakPolarHBondContact CE2-OD2 3.17Å; Y693-D760 VanDerWaalsContact CZ-OD2 3.3Å; Y693-D760 PolarHBondContact OH-OD2 3.11Å; T756-D760 PolarHBondContact O-N 3.4Å; A757-D760 PolarHBondContact O-N 2.82Å; A758-D760 VanDerWaalsContact C-N 3.27Å; A758-D760 PolarHBondContact O-N 2.96Å; D760-H762 PolarHBondContact O-N 3.46Å; D760-H762 IonicContact OD1-CD2 2.62Å; D760-H762 IonicContact OD1-CG 3.36Å; D760-H762 PolarHBondContact OD1-N 3.21Å; D760-S763 WeakPolarHBondContact O-CB 3.46Å; D760-S763 PolarHBondContact O-N 3.01Å
761P70.6Confident77.4Confident102 Ų10240.8 Ų40.866%0.66221%0.214SC*.THydrogen-bonded Turntrans-62.3-14.6178.226.5-35.9000113.5D759D759-P761 VanDerWaalsContact O-CD 3.26Å; D759-P761 WeakPolarHBondContact O-CD 3.3Å
762H71.6Confident77.6Confident76 Ų7639.5 Ų39.535%0.35221%0.209SC..THydrogen-bonded Turntrans-91.80.5176-59.2-60.4000113.7S687 R690 I691 D760 K764S687-H762 WeakPolarHBondContact O-CB 3.43Å; S687-H762 PolarHBondContact O-CD2 3.49Å; R690-H762 WeakPolarHBondContact CA-O 3.43Å; I691-H762 PolarHBondContact N-O 2.96Å; D760-H762 PolarHBondContact O-N 3.46Å; D760-H762 IonicContact OD1-CD2 2.62Å; D760-H762 IonicContact OD1-CG 3.36Å; D760-H762 PolarHBondContact OD1-N 3.21Å; H762-K764 PolarHBondContact O-N 3.37Å
763S71.7Confident77.8Confident25 Ų2533.8 Ų33.818%0.17518%0.182CC..BIsolated β-bridgetrans-62.2132.3174.9-178.70000111.6D760 C765D760-S763 WeakPolarHBondContact O-CB 3.46Å; D760-S763 PolarHBondContact O-N 3.01Å; S763-C765 VanDerWaalsContact C-N 3.3Å; S763-C765 PolarHBondContact OG-N 2.96Å; S763-C765 PolarHBondContact OG-O 2.92Å
764K68.3Low78.4Confident139 Ų13933.7 Ų33.760%0.60418%0.182SC*.SBendtrans-78.3-17.3167.8-68.6-177176176.60112.6R690 I691 K692 H762R690-K764 HydrophobicContact CB-CG 4.02Å; R690-K764 VanDerWaalsContact O-CE 3.24Å; R690-K764 WeakPolarHBondContact O-CE 3.2Å; I691-K764 PolarHBondContact O-N 3.21Å; K692-K764 HydrophobicContact CB-CB 4.45Å; H762-K764 PolarHBondContact O-N 3.37Å
765C71.3Confident78.7Confident8 Ų833.8 Ų33.85%0.05418%0.182CC..SBendtrans-96.4140.3178.3-63.50000109.5K692 Y693 S763 V770K692-C765 WeakPolarHBondContact CG-SG 3.27Å; Y693-C765 PolarHBondContact O-SG 3.49Å; S763-C765 VanDerWaalsContact C-N 3.3Å; S763-C765 PolarHBondContact OG-N 2.96Å; S763-C765 PolarHBondContact OG-O 2.92Å; C765-V770 HydrophobicContact CB-CG2 3.72Å
766P76.1Confident78.7Confident45 Ų4532.9 Ų32.929%0.29218%0.178SC..  trans-53.7143169.7-23.232.4000111.4A768 V769 V770P766-A768 PolarHBondContact O-N 2.9Å; P766-V769 HydrophobicContact CB-CG2 4.1Å; P766-V769 HydrophobicContact CG-CG2 4.06Å; P766-V769 WeakPolarHBondContact O-CB 3.38Å; P766-V769 PolarHBondContact O-N 3.5Å; P766-V770 PolarHBondContact O-N 3.4Å
767P81.9Confident78.7Confident61 Ų6131.7 Ų31.740%0.39617%0.168SC..Hα-helixtrans-54-37.4179.4-2835.2000113.5A758 V769 V770 R771A758-P767 HydrophobicContact CB-CB 4.44Å; A758-P767 WeakPolarHBondContact O-CB 3.24Å; A758-P767 WeakPolarHBondContact O-CG 3.35Å; P767-V769 PolarHBondContact O-N 2.94Å; P767-V770 PolarHBondContact O-N 3.38Å; P767-R771 WeakPolarHBondContact O-CG 3.29Å; P767-R771 PolarHBondContact O-N 3.43Å
768A83.1Confident78.9Confident5 Ų531.7 Ų31.74%0.04117%0.168CC..Hα-helixtrans-61.1-41.2177.100000112.4P766 R771 L772 Y808P766-A768 PolarHBondContact O-N 2.9Å; A768-R771 PolarHBondContact O-N 3.13Å; A768-L772 WeakPolarHBondContact O-CB 3.29Å; A768-L772 PolarHBondContact O-N 3.49Å; A768-Y808 HydrophobicContact CB-CD2 4.15Å
769V82.5Confident79Confident0 Ų033.1 Ų33.10%018%0.175CC..Hα-helixtrans-64.7-46.7176.5178.20000110.5P766 P767 R771 L772 E773 Y808 Q877 L878P766-V769 HydrophobicContact CB-CG2 4.1Å; P766-V769 HydrophobicContact CG-CG2 4.06Å; P766-V769 WeakPolarHBondContact O-CB 3.38Å; P766-V769 PolarHBondContact O-N 3.5Å; P767-V769 PolarHBondContact O-N 2.94Å; V769-R771 VanDerWaalsContact C-N 3.31Å; V769-R771 PolarHBondContact O-N 2.91Å; V769-L772 PolarHBondContact O-N 3.1Å; V769-E773 HydrophobicContact CG1-CG 4.24Å; V769-E773 WeakPolarHBondContact O-CG 3.3Å; V769-E773 PolarHBondContact O-N 3.06Å; V769-Y808 HydrophobicContact CG2-CD2 3.72Å; V769-Y808 HydrophobicContact CG2-CE2 3.2Å; V769-Q877 HydrophobicContact CG2-CB 4.35Å; V769-L878 HydrophobicContact CG1-CD2 4.4Å
770V81.5Confident79Confident0 Ų031 Ų310%017%0.167CC..Hα-helixtrans-59.2-45.1179.3-1800000110.4A757 A758 C765 P766 P767 N774A757-V770 HydrophobicContact CB-CG1 4.26Å; A758-V770 HydrophobicContact CB-CB 4.21Å; A758-V770 HydrophobicContact CB-CG1 4.14Å; C765-V770 HydrophobicContact CB-CG2 3.72Å; P766-V770 PolarHBondContact O-N 3.4Å; P767-V770 PolarHBondContact O-N 3.38Å; V770-N774 VanDerWaalsContact O-CB 3.25Å; V770-N774 WeakPolarHBondContact O-CB 3.28Å; V770-N774 PolarHBondContact O-N 2.93Å; V770-N774 PolarHBondContact O-ND2 3.02Å
771R85.5Confident78.8Confident59 Ų5931.2 Ų31.222%0.22317%0.168CC..Hα-helixtrans-62.7-48.2175.6-71.5-177.4-178.598.88.2111.5E755 A758 D759 P767 A768 V769 Y775 A804E755-R771 IonicContact OE2-CZ 3.79Å; E755-R771 IonicContact OE2-NE 3.84Å; E755-R771 PolarHBondContact OE2-NE 2.87Å; E755-R771 IonicContact OE2-NH2 2.98Å; E755-R771 PolarHBondContact OE2-NH2 3.43Å; E755-R771 VanDerWaalsContact OE2-NH2 3.11Å; A758-R771 HydrophobicContact CB-CG 3.71Å; D759-R771 IonicContact OD1-CZ 3.59Å; D759-R771 IonicContact OD1-NH2 3.71Å; D759-R771 PolarHBondContact OD1-NH2 2.98Å; D759-R771 IonicContact OD2-NH2 3.83Å; P767-R771 WeakPolarHBondContact O-CG 3.29Å; P767-R771 PolarHBondContact O-N 3.43Å; A768-R771 PolarHBondContact O-N 3.13Å; V769-R771 VanDerWaalsContact C-N 3.31Å; V769-R771 PolarHBondContact O-N 2.91Å; R771-Y775 HydrophobicContact CB-CD2 3.99Å; R771-Y775 HydrophobicContact CB-CE2 4.18Å; R771-Y775 HydrophobicContact CG-CE2 4.26Å; R771-Y775 VanDerWaalsContact O-CB 3.23Å; R771-Y775 WeakPolarHBondContact O-CB 3.24Å; R771-Y775 WeakPolarHBondContact O-CD2 3.46Å; R771-Y775 PolarHBondContact O-N 3.06Å; R771-A804 HydrophobicContact CB-CB 3.77Å
772L84.3Confident79.1Confident0 Ų026.7 Ų26.70%014%0.138CC..Hα-helixtrans-57.1-55.8-176.5174.560.4000111.9A768 V769 N774 H776 Y801 A804 L805 Y808 L878 L884 V888A768-L772 WeakPolarHBondContact O-CB 3.29Å; A768-L772 PolarHBondContact O-N 3.49Å; V769-L772 PolarHBondContact O-N 3.1Å; L772-N774 PolarHBondContact O-N 3.17Å; L772-H776 WeakPolarHBondContact O-CB 3.48Å; L772-H776 PolarHBondContact O-N 3.14Å; L772-Y801 HydrophobicContact CD1-CD2 3.9Å; L772-Y801 HydrophobicContact CD1-CE2 3.52Å; L772-A804 HydrophobicContact CB-CB 4.42Å; L772-L805 HydrophobicContact CD1-CB 3.68Å; L772-L805 HydrophobicContact CD1-CD1 3.77Å; L772-L805 HydrophobicContact CD1-CG 4.31Å; L772-L805 HydrophobicContact CD2-CD1 4.25Å; L772-Y808 HydrophobicContact CD2-CD1 3.4Å; L772-Y808 VanDerWaalsContact CD2-CD1 3.4Å; L772-Y808 HydrophobicContact CD2-CE1 4.01Å; L772-Y808 HydrophobicContact CD2-CG 3.97Å; L772-L878 HydrophobicContact CD2-CD2 4.19Å; L772-L884 HydrophobicContact CD1-CD1 4.48Å; L772-V888 HydrophobicContact CD2-CG2 3.76Å
773E80.5Confident79.4Confident2 Ų224.7 Ų24.71%0.00913%0.132CC..Hα-helixtrans-63.2-46.4-177.2-64.2-165.1142.700111.5V769 H776 F777 L878 S879 L884V769-E773 HydrophobicContact CG1-CG 4.24Å; V769-E773 WeakPolarHBondContact O-CG 3.3Å; V769-E773 PolarHBondContact O-N 3.06Å; E773-H776 PolarHBondContact O-N 3.41Å; E773-F777 VanDerWaalsContact O-CB 3.23Å; E773-F777 WeakPolarHBondContact O-CB 3.43Å; E773-F777 PolarHBondContact O-N 3.3Å; E773-L878 HydrophobicContact CG-CD2 4.3Å; E773-L878 WeakPolarHBondContact OE1-CA 3.38Å; E773-S879 VanDerWaalsContact CD-OG 3.26Å; E773-S879 WeakPolarHBondContact OE1-CB 3.49Å; E773-S879 PolarHBondContact OE1-N 3.46Å; E773-S879 PolarHBondContact OE1-OG 3.41Å; E773-L884 HydrophobicContact CB-CD2 4.42Å; E773-L884 HydrophobicContact CG-CD2 3.84Å
774N83Confident79.4Confident0 Ų029.2 Ų29.20%015%0.151CC..Hα-helixtrans-72.8-37.1-174.7-75-71.2000112.7E694 I695 L696 L699 I754 V770 L772 L778E694-N774 PolarHBondContact O-ND2 3.15Å; I695-N774 WeakPolarHBondContact CA-OD1 3.25Å; L696-N774 VanDerWaalsContact CG-OD1 3.31Å; L696-N774 WeakPolarHBondContact CG-OD1 3.42Å; L696-N774 PolarHBondContact N-OD1 3.24Å; L699-N774 HydrophobicContact CD1-CB 3.74Å; L699-N774 WeakPolarHBondContact CD1-OD1 3.48Å; I754-N774 HydrophobicContact CD1-CB 3.98Å; I754-N774 HydrophobicContact CG1-CB 3.86Å; I754-N774 HydrophobicContact CG2-CB 3.97Å; V770-N774 VanDerWaalsContact O-CB 3.25Å; V770-N774 WeakPolarHBondContact O-CB 3.28Å; V770-N774 PolarHBondContact O-N 2.93Å; V770-N774 PolarHBondContact O-ND2 3.02Å; L772-N774 PolarHBondContact O-N 3.17Å; N774-L778 VanDerWaalsContact O-CB 3.24Å; N774-L778 WeakPolarHBondContact O-CB 3.34Å; N774-L778 PolarHBondContact O-N 2.68Å
775Y87.1Confident79.5Confident2 Ų224.3 Ų24.31%0.00813%0.131CC..Hα-helixtrans-72.4-35.9173.3-76.4-57000112.4W751 I754 E755 R771 F777 L778 H779 T797 K800W751-Y775 AromaticContact CD1-CE1 3.65Å; W751-Y775 HydrophobicContact CG-CE1 4.27Å; I754-Y775 HydrophobicContact CD1-CD1 3.91Å; I754-Y775 HydrophobicContact CD1-CE1 3.9Å; I754-Y775 HydrophobicContact CD1-CG 4.49Å; I754-Y775 HydrophobicContact CG2-CD2 4.17Å; I754-Y775 HydrophobicContact CG2-CE1 4.41Å; I754-Y775 HydrophobicContact CG2-CE2 3.82Å; E755-Y775 WeakPolarHBondContact OE1-CE2 3.21Å; E755-Y775 PolarHBondContact OE1-OH 3.36Å; R771-Y775 HydrophobicContact CB-CD2 3.99Å; R771-Y775 HydrophobicContact CB-CE2 4.18Å; R771-Y775 HydrophobicContact CG-CE2 4.26Å; R771-Y775 VanDerWaalsContact O-CB 3.23Å; R771-Y775 WeakPolarHBondContact O-CB 3.24Å; R771-Y775 WeakPolarHBondContact O-CD2 3.46Å; R771-Y775 PolarHBondContact O-N 3.06Å; Y775-F777 VanDerWaalsContact C-N 3.32Å; Y775-F777 PolarHBondContact O-N 3.21Å; Y775-L778 PolarHBondContact O-N 3.03Å; Y775-H779 VanDerWaalsContact O-CB 3.27Å; Y775-H779 WeakPolarHBondContact O-CB 3.31Å; Y775-H779 PolarHBondContact O-N 2.76Å; Y775-T797 HydrophobicContact CD1-CG2 4.11Å; Y775-K800 HydrophobicContact CD1-CB 4.05Å; Y775-K800 HydrophobicContact CD2-CB 4.2Å; Y775-K800 HydrophobicContact CE1-CB 3.96Å; Y775-K800 HydrophobicContact CE1-CD 3.78Å; Y775-K800 HydrophobicContact CE1-CG 4.44Å; Y775-K800 HydrophobicContact CE2-CB 4.14Å; Y775-K800 HydrophobicContact CG-CB 4.18Å; Y775-K800 PolarHBondContact OH-NZ 3.31Å
776H83.5Confident79.5Confident27 Ų2731.6 Ų31.613%0.12516%0.162CC..Hα-helixtrans-56.8-51.7171.7-178.465000110.3L772 E773 H779 S780 Y801 E881 L884L772-H776 WeakPolarHBondContact O-CB 3.48Å; L772-H776 PolarHBondContact O-N 3.14Å; E773-H776 PolarHBondContact O-N 3.41Å; H776-H779 PolarHBondContact O-N 2.66Å; H776-S780 WeakPolarHBondContact O-CB 3.47Å; H776-S780 PolarHBondContact O-N 3.23Å; H776-S780 PolarHBondContact O-OG 3.47Å; H776-Y801 HydrophobicContact CB-CD2 3.66Å; H776-Y801 HydrophobicContact CB-CE2 3.5Å; H776-Y801 AromaticContact CG-CE2 3.85Å; H776-Y801 AromaticContact ND1-CE2 3.5Å; H776-Y801 AromaticContact ND1-CZ 3.53Å; H776-E881 IonicContact CD2-OE2 3.71Å; H776-L884 HydrophobicContact CB-CD1 4.1Å
777F76.9Confident79.4Confident22 Ų2229.8 Ų29.810%0.09615%0.149CC..Hα-helixtrans-63.3-45.5-178.6-173.1-107.3000112.6I695 L699 T700 V704 E773 Y775 H779 S780 M781I695-F777 HydrophobicContact CD1-CD2 3.76Å; I695-F777 HydrophobicContact CD1-CE2 3.9Å; I695-F777 HydrophobicContact CD1-CG 4.18Å; I695-F777 HydrophobicContact CD1-CZ 4.38Å; I695-F777 HydrophobicContact CG1-CG 4.49Å; I695-F777 HydrophobicContact CG2-CD1 3.5Å; I695-F777 HydrophobicContact CG2-CD2 4.32Å; I695-F777 HydrophobicContact CG2-CE1 3.44Å; I695-F777 VanDerWaalsContact CG2-CE1 3.44Å; I695-F777 HydrophobicContact CG2-CE2 4.3Å; I695-F777 HydrophobicContact CG2-CG 3.88Å; I695-F777 HydrophobicContact CG2-CZ 3.8Å; L699-F777 HydrophobicContact CB-CD1 3.92Å; L699-F777 HydrophobicContact CB-CE1 3.93Å; L699-F777 HydrophobicContact CD1-CD1 4.24Å; T700-F777 HydrophobicContact CG2-CE1 4.07Å; T700-F777 HydrophobicContact CG2-CZ 4.04Å; V704-F777 HydrophobicContact CB-CE1 4.48Å; V704-F777 HydrophobicContact CB-CZ 4.01Å; V704-F777 HydrophobicContact CG1-CE2 4.45Å; V704-F777 HydrophobicContact CG1-CZ 3.79Å; V704-F777 HydrophobicContact CG2-CD1 4.43Å; V704-F777 HydrophobicContact CG2-CE1 3.18Å; V704-F777 HydrophobicContact CG2-CE2 4.13Å; V704-F777 HydrophobicContact CG2-CZ 3.02Å; E773-F777 VanDerWaalsContact O-CB 3.23Å; E773-F777 WeakPolarHBondContact O-CB 3.43Å; E773-F777 PolarHBondContact O-N 3.3Å; Y775-F777 VanDerWaalsContact C-N 3.32Å; Y775-F777 PolarHBondContact O-N 3.21Å; F777-H779 VanDerWaalsContact C-N 3.35Å; F777-H779 PolarHBondContact O-N 2.66Å; F777-S780 PolarHBondContact O-N 3.49Å; F777-M781 VanDerWaalsContact O-CB 3.29Å; F777-M781 WeakPolarHBondContact O-CB 3.16Å; F777-M781 PolarHBondContact O-N 2.95Å
778L79.5Confident79.3Confident1 Ų130.5 Ų30.51%0.00516%0.156CC..Hα-helixtrans-61.5-42.7175.7-179.258.6000111.4L699 F703 L750 W751 I754 N774 Y775 M781 L782 T797L699-L778 HydrophobicContact CD2-CB 4.17Å; L699-L778 HydrophobicContact CD2-CD1 3.93Å; L699-L778 HydrophobicContact CD2-CD2 4.37Å; L699-L778 HydrophobicContact CD2-CG 4.37Å; F703-L778 HydrophobicContact CD2-CD1 4.49Å; F703-L778 HydrophobicContact CE2-CD1 4.24Å; L750-L778 HydrophobicContact CB-CD2 4.47Å; L750-L778 HydrophobicContact CD1-CD1 3.82Å; W751-L778 VanDerWaalsContact CD1-CD2 3.46Å; I754-L778 HydrophobicContact CD1-CD2 3.92Å; N774-L778 VanDerWaalsContact O-CB 3.24Å; N774-L778 WeakPolarHBondContact O-CB 3.34Å; N774-L778 PolarHBondContact O-N 2.68Å; Y775-L778 PolarHBondContact O-N 3.03Å; L778-M781 WeakPolarHBondContact O-CB 3.23Å; L778-M781 PolarHBondContact O-N 3.15Å; L778-L782 HydrophobicContact CD1-CD1 4.18Å; L778-L782 HydrophobicContact CD1-CG 4.12Å; L778-L782 HydrophobicContact CG-CD1 4.09Å; L778-L782 HydrophobicContact CG-CG 4.44Å; L778-L782 WeakPolarHBondContact O-CB 3.25Å; L778-L782 VanDerWaalsContact O-CG 3.25Å; L778-L782 WeakPolarHBondContact O-CG 3.39Å; L778-L782 PolarHBondContact O-N 3.45Å; L778-T797 HydrophobicContact CB-CG2 4.11Å; L778-T797 HydrophobicContact CD2-CG2 3.92Å; L778-T797 HydrophobicContact CG-CG2 3.84Å
779H83Confident79.1Confident32 Ų3232.3 Ų32.315%0.14817%0.168CC..Hα-helixtrans-65.2-45.6177.8-179.264000112.2Y775 H776 F777 M781 L782 S783 R794 T797Y775-H779 VanDerWaalsContact O-CB 3.27Å; Y775-H779 WeakPolarHBondContact O-CB 3.31Å; Y775-H779 PolarHBondContact O-N 2.76Å; H776-H779 PolarHBondContact O-N 2.66Å; F777-H779 VanDerWaalsContact C-N 3.35Å; F777-H779 PolarHBondContact O-N 2.66Å; H779-M781 VanDerWaalsContact C-N 3.25Å; H779-M781 PolarHBondContact O-N 3.27Å; H779-L782 PolarHBondContact O-N 2.87Å; H779-S783 VanDerWaalsContact O-CB 3.27Å; H779-S783 WeakPolarHBondContact O-CB 3.5Å; H779-S783 PolarHBondContact O-N 2.86Å; H779-S783 PolarHBondContact O-OG 3.02Å; H779-R794 PolarHBondContact ND1-O 2.79Å; H779-T797 HydrophobicContact CB-CG2 3.96Å
780S80.1Confident79.1Confident39 Ų3932.6 Ų32.627%0.27317%0.169SC..Hα-helixtrans-57.5-42.5175.1-71.70000110.8H776 F777 S783 Q784H776-S780 WeakPolarHBondContact O-CB 3.47Å; H776-S780 PolarHBondContact O-N 3.23Å; H776-S780 PolarHBondContact O-OG 3.47Å; F777-S780 PolarHBondContact O-N 3.49Å; S780-S783 PolarHBondContact O-N 2.9Å; S780-Q784 WeakPolarHBondContact O-CG 3.31Å; S780-Q784 PolarHBondContact O-N 3.49Å; S780-Q784 VanDerWaalsContact O-N 3.1Å
781M72.4Confident79.3Confident11 Ų1135.2 Ų35.25%0.05418%0.183CC..Hα-helixtrans-64.6-51.4177.4-171.457.156.900113.3F703 V704 F777 L778 H779 S783 Q784 L785F703-M781 HydrophobicContact CB-CE 4.25Å; F703-M781 HydrophobicContact CB-CG 3.3Å; F703-M781 HydrophobicContact CB-SD 3.62Å; F703-M781 HydrophobicContact CD1-CG 4.41Å; F703-M781 HydrophobicContact CD2-CG 3.83Å; F703-M781 HydrophobicContact CG-CG 3.67Å; F703-M781 HydrophobicContact CG-SD 4.46Å; V704-M781 HydrophobicContact CB-CE 4.04Å; V704-M781 HydrophobicContact CG1-CE 4.37Å; V704-M781 HydrophobicContact CG2-CE 3.26Å; F777-M781 VanDerWaalsContact O-CB 3.29Å; F777-M781 WeakPolarHBondContact O-CB 3.16Å; F777-M781 PolarHBondContact O-N 2.95Å; L778-M781 WeakPolarHBondContact O-CB 3.23Å; L778-M781 PolarHBondContact O-N 3.15Å; H779-M781 VanDerWaalsContact C-N 3.25Å; H779-M781 PolarHBondContact O-N 3.27Å; M781-S783 PolarHBondContact O-N 2.87Å; M781-Q784 PolarHBondContact O-N 3.36Å; M781-Q784 VanDerWaalsContact O-N 3.1Å; M781-L785 HydrophobicContact CG-CD1 4.42Å; M781-L785 PolarHBondContact O-N 2.53Å; M781-L785 VanDerWaalsContact O-N 3.17Å
782L76.7Confident79.5Confident6 Ų637 Ų373%0.03120%0.197CC..Hα-helixtrans-59.5-33.8177.2-69.6175000111.5F703 V747 L778 H779 K786 L790 R794 T797F703-L782 HydrophobicContact CE2-CD2 4.27Å; F703-L782 HydrophobicContact CZ-CD2 4.22Å; V747-L782 HydrophobicContact CG1-CD1 4.31Å; V747-L782 HydrophobicContact CG2-CD2 4Å; L778-L782 HydrophobicContact CD1-CD1 4.18Å; L778-L782 HydrophobicContact CD1-CG 4.12Å; L778-L782 HydrophobicContact CG-CD1 4.09Å; L778-L782 HydrophobicContact CG-CG 4.44Å; L778-L782 WeakPolarHBondContact O-CB 3.25Å; L778-L782 VanDerWaalsContact O-CG 3.25Å; L778-L782 WeakPolarHBondContact O-CG 3.39Å; L778-L782 PolarHBondContact O-N 3.45Å; H779-L782 PolarHBondContact O-N 2.87Å; L782-K786 PolarHBondContact O-N 3.46Å; L782-L790 HydrophobicContact CD2-CD1 3.84Å; L782-R794 HydrophobicContact CB-CB 4.19Å; L782-R794 HydrophobicContact CB-CG 4.04Å; L782-R794 HydrophobicContact CD1-CB 4.42Å; L782-T797 HydrophobicContact CD1-CG2 4.37Å
783S78.9Confident79.6Confident34 Ų3437.4 Ų37.424%0.23820%0.199CC..Hα-helixtrans-70.8-31.5177.5-62.50000113.4H779 S780 M781 K786H779-S783 VanDerWaalsContact O-CB 3.27Å; H779-S783 WeakPolarHBondContact O-CB 3.5Å; H779-S783 PolarHBondContact O-N 2.86Å; H779-S783 PolarHBondContact O-OG 3.02Å; S780-S783 PolarHBondContact O-N 2.9Å; M781-S783 PolarHBondContact O-N 2.87Å; S783-K786 VanDerWaalsContact O-CG 3.28Å; S783-K786 WeakPolarHBondContact O-CG 3.47Å
784Q72.3Confident79.9Confident121 Ų12140.5 Ų40.557%0.56521%0.211SC*.Hα-helixtrans-74.5-39.9176.3-73.2175.917.200112.6S780 M781S780-Q784 WeakPolarHBondContact O-CG 3.31Å; S780-Q784 PolarHBondContact O-N 3.49Å; S780-Q784 VanDerWaalsContact O-N 3.1Å; M781-Q784 PolarHBondContact O-N 3.36Å; M781-Q784 VanDerWaalsContact O-N 3.1Å
785L68.6Low80.2Confident36 Ų3648.5 Ų48.519%0.18824%0.241CC..Hα-helixtrans-71.4-30.7-177.7-70.6169.4000113.4F703 A723 K724 M781 I787F703-L785 HydrophobicContact CD1-CD1 3.38Å; F703-L785 HydrophobicContact CE1-CD1 3.33Å; F703-L785 HydrophobicContact CG-CD1 4.21Å; F703-L785 HydrophobicContact CZ-CD1 4.11Å; A723-L785 HydrophobicContact CB-CD1 4.41Å; K724-L785 HydrophobicContact CG-CD2 4.17Å; M781-L785 HydrophobicContact CG-CD1 4.42Å; M781-L785 PolarHBondContact O-N 2.53Å; M781-L785 VanDerWaalsContact O-N 3.17Å; L785-I787 HydrophobicContact CB-CD1 4.14Å; L785-I787 HydrophobicContact CB-CG1 4.12Å; L785-I787 HydrophobicContact CD1-CD1 4.42Å; L785-I787 PolarHBondContact O-N 3.36Å; L785-I787 VanDerWaalsContact O-N 3.12Å
786K73Confident80.5Confident161 Ų16152.8 Ų52.870%0.726%0.261SS*.  trans5232.4178-60.1-176.6179.3178.70114.6L782 S783 S788L782-K786 PolarHBondContact O-N 3.46Å; S783-K786 VanDerWaalsContact O-CG 3.28Å; S783-K786 WeakPolarHBondContact O-CG 3.47Å; K786-S788 PolarHBondContact O-N 2.84Å
787I73.6Confident80.8Confident7 Ų751.5 Ų51.54%0.03626%0.255CS..  trans-70.7128175.3-59.5167.1000109.2E727 Y743 L785 C789 L790E727-I787 HydrophobicContact CG-CD1 4.18Å; E727-I787 HydrophobicContact CG-CG1 4.47Å; Y743-I787 HydrophobicContact CD2-CG2 4.17Å; Y743-I787 HydrophobicContact CE1-CD1 4.15Å; Y743-I787 HydrophobicContact CE2-CD1 4.15Å; Y743-I787 HydrophobicContact CE2-CG2 4.27Å; L785-I787 HydrophobicContact CB-CD1 4.14Å; L785-I787 HydrophobicContact CB-CG1 4.12Å; L785-I787 HydrophobicContact CD1-CD1 4.42Å; L785-I787 PolarHBondContact O-N 3.36Å; L785-I787 VanDerWaalsContact O-N 3.12Å; I787-C789 WeakPolarHBondContact CG2-SG 3.14Å; I787-C789 PolarHBondContact O-N 3.16Å; I787-L790 HydrophobicContact CB-CD1 4.21Å; I787-L790 HydrophobicContact CB-CG 4.44Å; I787-L790 HydrophobicContact CD1-CD1 4.17Å; I787-L790 HydrophobicContact CG2-CD1 4.46Å; I787-L790 HydrophobicContact CG2-CG 4.39Å; I787-L790 PolarHBondContact O-N 3.46Å
788S78.8Confident81.5Confident76 Ų7655.9 Ų55.953%0.53127%0.274SS..G310 helixtrans-64.3-41.7-17153.90000113.9K786 L790 N791K786-S788 PolarHBondContact O-N 2.84Å; S788-L790 PolarHBondContact O-N 3.14Å; S788-N791 WeakPolarHBondContact O-CB 3.46Å; S788-N791 PolarHBondContact O-N 3.02Å; S788-N791 PolarHBondContact O-ND2 2.82Å
789C79.9Confident82.1Confident43 Ų4360.6 Ų60.629%0.29130%0.299SS..G310 helixtrans-68-12.7-18066.30000113.7D740 I787D740-C789 HydrophobicContact CB-CB 4.16Å; D740-C789 PolarHBondContact OD1-SG 2.87Å; I787-C789 WeakPolarHBondContact CG2-SG 3.14Å; I787-C789 PolarHBondContact O-N 3.16Å
790L82.9Confident82.4Confident6 Ų662.1 Ų62.13%0.03130%0.304CS..G310 helixtrans-98.94.3177.9-67.8-179.6000113.4Y743 V747 L782 I787 S788 D792 L793 R794Y743-L790 HydrophobicContact CD1-CD1 4.43Å; Y743-L790 HydrophobicContact CG-CD1 4.33Å; V747-L790 HydrophobicContact CG2-CD1 4.24Å; V747-L790 HydrophobicContact CG2-CD2 3.76Å; L782-L790 HydrophobicContact CD2-CD1 3.84Å; I787-L790 HydrophobicContact CB-CD1 4.21Å; I787-L790 HydrophobicContact CB-CG 4.44Å; I787-L790 HydrophobicContact CD1-CD1 4.17Å; I787-L790 HydrophobicContact CG2-CD1 4.46Å; I787-L790 HydrophobicContact CG2-CG 4.39Å; I787-L790 PolarHBondContact O-N 3.46Å; S788-L790 PolarHBondContact O-N 3.14Å; L790-D792 PolarHBondContact O-N 2.86Å; L790-L793 HydrophobicContact CD2-CD1 3.62Å; L790-L793 PolarHBondContact O-N 3.26Å; L790-R794 VanDerWaalsContact O-CB 3.28Å; L790-R794 WeakPolarHBondContact O-CB 3.49Å; L790-R794 PolarHBondContact O-N 3.49Å
791N85.8Confident83Confident55 Ų5561.4 Ų61.429%0.29430%0.296SS..Hα-helixtrans-59.3-44.2-175.7-84-37.8000113.7S788 R794 R795S788-N791 WeakPolarHBondContact O-CB 3.46Å; S788-N791 PolarHBondContact O-N 3.02Å; S788-N791 PolarHBondContact O-ND2 2.82Å; N791-R794 WeakPolarHBondContact O-CB 3.4Å; N791-R794 PolarHBondContact O-N 3.15Å; N791-R794 PolarHBondContact OD1-NH2 2.86Å; N791-R795 WeakPolarHBondContact O-CG 3.31Å; N791-R795 PolarHBondContact O-N 3.25Å; N791-R795 VanDerWaalsContact O-N 3.11Å
792D88.1Confident83.8Confident97 Ų9763.2 Ų63.252%0.51931%0.308SS..Hα-helixtrans-70-44.6179.9-62.2-37.9000110.9L790 R794 R795 E796L790-D792 PolarHBondContact O-N 2.86Å; D792-R794 PolarHBondContact O-N 3.43Å; D792-R795 WeakPolarHBondContact O-CA 3.36Å; D792-R795 WeakPolarHBondContact O-CB 3.46Å; D792-R795 PolarHBondContact O-N 2.84Å; D792-R795 IonicContact OD1-NH1 3.85Å; D792-E796 PolarHBondContact O-N 3.39Å
793L86.7Confident84.5Confident8 Ų868.5 Ų68.54%0.04233%0.334CS..Hα-helixtrans-61.1-33.2174-71.3165.6000112.6P744 V747 R748 W751 L790 T797P744-L793 VanDerWaalsContact CA-CD1 3.44Å; P744-L793 HydrophobicContact CB-CD1 3.7Å; P744-L793 HydrophobicContact CG-CD1 4.23Å; V747-L793 HydrophobicContact CB-CD1 4.25Å; V747-L793 HydrophobicContact CG1-CB 4.25Å; V747-L793 HydrophobicContact CG1-CD1 4.42Å; R748-L793 HydrophobicContact CG-CD2 4.39Å; W751-L793 HydrophobicContact CH2-CD2 3.35Å; W751-L793 HydrophobicContact CZ2-CD2 3.91Å; W751-L793 HydrophobicContact CZ3-CD2 3.84Å; L790-L793 HydrophobicContact CD2-CD1 3.62Å; L790-L793 PolarHBondContact O-N 3.26Å; L793-T797 VanDerWaalsContact O-CB 3.29Å; L793-T797 WeakPolarHBondContact O-CB 3.3Å; L793-T797 PolarHBondContact O-N 3.3Å; L793-T797 PolarHBondContact O-OG1 2.96Å
794R87Confident84.9Confident66 Ų6667.2 Ų67.225%0.24933%0.325CS..Hα-helixtrans-67-39.3173.5179.6178.461.7162.8-3.7111.6H779 L782 L790 N791 D792 K798H779-R794 PolarHBondContact ND1-O 2.79Å; L782-R794 HydrophobicContact CB-CB 4.19Å; L782-R794 HydrophobicContact CB-CG 4.04Å; L782-R794 HydrophobicContact CD1-CB 4.42Å; L790-R794 VanDerWaalsContact O-CB 3.28Å; L790-R794 WeakPolarHBondContact O-CB 3.49Å; L790-R794 PolarHBondContact O-N 3.49Å; N791-R794 WeakPolarHBondContact O-CB 3.4Å; N791-R794 PolarHBondContact O-N 3.15Å; N791-R794 PolarHBondContact OD1-NH2 2.86Å; D792-R794 PolarHBondContact O-N 3.43Å; R794-K798 PolarHBondContact O-N 2.8Å
795R90.3Very high85.7Confident168 Ų16861.9 Ų61.963%0.63430%0.301SS*.Hα-helixtrans-65.9-45.8173.8-69.6172.2179.2167.2-4.1110.8N791 D792 T797 K798 I799N791-R795 WeakPolarHBondContact O-CG 3.31Å; N791-R795 PolarHBondContact O-N 3.25Å; N791-R795 VanDerWaalsContact O-N 3.11Å; D792-R795 WeakPolarHBondContact O-CA 3.36Å; D792-R795 WeakPolarHBondContact O-CB 3.46Å; D792-R795 PolarHBondContact O-N 2.84Å; D792-R795 IonicContact OD1-NH1 3.85Å; R795-T797 PolarHBondContact O-N 3.34Å; R795-K798 VanDerWaalsContact O-CB 3.29Å; R795-K798 WeakPolarHBondContact O-CB 3.42Å; R795-K798 PolarHBondContact O-N 3.33Å; R795-K798 VanDerWaalsContact O-N 3.13Å; R795-I799 WeakPolarHBondContact O-CG1 3.3Å; R795-I799 PolarHBondContact O-N 3.41Å
796E92.2Very high86.6Confident92 Ų9265.3 Ų65.343%0.4332%0.316SS..Hα-helixtrans-62.7-41.3176-72179.5-132.400112.3W751 D792 K798 I799 K800W751-E796 HydrophobicContact CH2-CB 3.62Å; W751-E796 HydrophobicContact CH2-CG 4.45Å; W751-E796 VanDerWaalsContact CH2-OE2 3.24Å; W751-E796 WeakPolarHBondContact CH2-OE2 3.42Å; W751-E796 HydrophobicContact CZ2-CB 3.92Å; D792-E796 PolarHBondContact O-N 3.39Å; E796-K798 VanDerWaalsContact C-N 3.26Å; E796-K798 PolarHBondContact O-N 3.27Å; E796-I799 PolarHBondContact O-N 3.39Å; E796-I799 VanDerWaalsContact O-N 3.17Å; E796-K800 PolarHBondContact O-N 2.52Å
797T89.5Confident87.3Confident0 Ų060.1 Ų60.10%030%0.299CS..Hα-helixtrans-61.7-37.2174.1-56.30000110.8W751 Y775 L778 H779 L782 L793 R795 K800 Y801W751-T797 WeakPolarHBondContact CZ2-OG1 3.33Å; W751-T797 PolarHBondContact NE1-OG1 3.33Å; W751-T797 VanDerWaalsContact NE1-OG1 3.1Å; Y775-T797 HydrophobicContact CD1-CG2 4.11Å; L778-T797 HydrophobicContact CB-CG2 4.11Å; L778-T797 HydrophobicContact CD2-CG2 3.92Å; L778-T797 HydrophobicContact CG-CG2 3.84Å; H779-T797 HydrophobicContact CB-CG2 3.96Å; L782-T797 HydrophobicContact CD1-CG2 4.37Å; L793-T797 VanDerWaalsContact O-CB 3.29Å; L793-T797 WeakPolarHBondContact O-CB 3.3Å; L793-T797 PolarHBondContact O-N 3.3Å; L793-T797 PolarHBondContact O-OG1 2.96Å; R795-T797 PolarHBondContact O-N 3.34Å; T797-K800 PolarHBondContact O-N 3.01Å; T797-Y801 WeakPolarHBondContact O-CB 3.33Å; T797-Y801 PolarHBondContact O-N 3.11Å
798K91.2Very high88Confident114 Ų11459.9 Ų59.950%0.49630%0.298SS..Hα-helixtrans-63.7-43.5174.7-167.9-178.4176.3-1770111.4R794 R795 E796 Y801 T802R794-K798 PolarHBondContact O-N 2.8Å; R795-K798 VanDerWaalsContact O-CB 3.29Å; R795-K798 WeakPolarHBondContact O-CB 3.42Å; R795-K798 PolarHBondContact O-N 3.33Å; R795-K798 VanDerWaalsContact O-N 3.13Å; E796-K798 VanDerWaalsContact C-N 3.26Å; E796-K798 PolarHBondContact O-N 3.27Å; K798-Y801 WeakPolarHBondContact O-CB 3.41Å; K798-Y801 PolarHBondContact O-N 3.42Å; K798-T802 PolarHBondContact O-N 3.38Å; K798-T802 PolarHBondContact O-OG1 3.49Å; K798-T802 VanDerWaalsContact O-OG1 3.06Å
799I92.7Very high88.3Confident101 Ų10156.4 Ų56.452%0.51827%0.274SS..Hα-helixtrans-61.1-48.4176.7-64.9166.4000109.8R795 E796 Y801 T802 M803R795-I799 WeakPolarHBondContact O-CG1 3.3Å; R795-I799 PolarHBondContact O-N 3.41Å; E796-I799 PolarHBondContact O-N 3.39Å; E796-I799 VanDerWaalsContact O-N 3.17Å; I799-Y801 VanDerWaalsContact C-N 3.32Å; I799-Y801 PolarHBondContact O-N 3.39Å; I799-T802 PolarHBondContact O-N 2.98Å; I799-T802 VanDerWaalsContact O-N 3.16Å; I799-M803 HydrophobicContact CG2-CG 4.35Å; I799-M803 HydrophobicContact CG2-SD 3.97Å; I799-M803 WeakPolarHBondContact O-CG 3.32Å; I799-M803 PolarHBondContact O-N 3.2Å
800K90.6Very high88.5Confident63 Ų6360.3 Ų60.327%0.27429%0.288SS..Hα-helixtrans-58.7-40.9175.7-77.7169.6159.2-79.80112.7W751 E755 Y775 E796 T797 A804W751-K800 HydrophobicContact CD2-CD 4.32Å; W751-K800 HydrophobicContact CZ2-CD 4.4Å; E755-K800 IonicContact OE1-NZ 2.71Å; Y775-K800 HydrophobicContact CD1-CB 4.05Å; Y775-K800 HydrophobicContact CD2-CB 4.2Å; Y775-K800 HydrophobicContact CE1-CB 3.96Å; Y775-K800 HydrophobicContact CE1-CD 3.78Å; Y775-K800 HydrophobicContact CE1-CG 4.44Å; Y775-K800 HydrophobicContact CE2-CB 4.14Å; Y775-K800 HydrophobicContact CG-CB 4.18Å; Y775-K800 PolarHBondContact OH-NZ 3.31Å; E796-K800 PolarHBondContact O-N 2.52Å; T797-K800 PolarHBondContact O-N 3.01Å; K800-A804 VanDerWaalsContact O-CB 3.31Å; K800-A804 WeakPolarHBondContact O-CB 3.3Å; K800-A804 PolarHBondContact O-N 3.35Å
801Y91.1Very high88.6Confident24 Ų2463.7 Ų63.79%0.09431%0.306CS..Hα-helixtrans-61.7-48.5172.9163.1-109.7000111.9L772 H776 T797 K798 I799 M803 A804 L805 L884 V887L772-Y801 HydrophobicContact CD1-CD2 3.9Å; L772-Y801 HydrophobicContact CD1-CE2 3.52Å; H776-Y801 HydrophobicContact CB-CD2 3.66Å; H776-Y801 HydrophobicContact CB-CE2 3.5Å; H776-Y801 AromaticContact CG-CE2 3.85Å; H776-Y801 AromaticContact ND1-CE2 3.5Å; H776-Y801 AromaticContact ND1-CZ 3.53Å; T797-Y801 WeakPolarHBondContact O-CB 3.33Å; T797-Y801 PolarHBondContact O-N 3.11Å; K798-Y801 WeakPolarHBondContact O-CB 3.41Å; K798-Y801 PolarHBondContact O-N 3.42Å; I799-Y801 VanDerWaalsContact C-N 3.32Å; I799-Y801 PolarHBondContact O-N 3.39Å; Y801-M803 PolarHBondContact O-N 2.96Å; Y801-A804 PolarHBondContact O-N 3.34Å; Y801-L805 HydrophobicContact CE1-CD2 4.48Å; Y801-L805 WeakPolarHBondContact O-CB 3.46Å; Y801-L805 PolarHBondContact O-N 3.2Å; Y801-L884 HydrophobicContact CE2-CD1 4.31Å; Y801-V887 WeakPolarHBondContact OH-CG1 3.05Å
802T89.8Confident88.4Confident50 Ų5061.4 Ų61.431%0.30729%0.293SS..Hα-helixtrans-62.3-43.7178.9-57.20000111.5K798 I799 A804 L805 E806K798-T802 PolarHBondContact O-N 3.38Å; K798-T802 PolarHBondContact O-OG1 3.49Å; K798-T802 VanDerWaalsContact O-OG1 3.06Å; I799-T802 PolarHBondContact O-N 2.98Å; I799-T802 VanDerWaalsContact O-N 3.16Å; T802-A804 VanDerWaalsContact C-N 3.35Å; T802-A804 PolarHBondContact O-N 2.9Å; T802-L805 WeakPolarHBondContact O-CB 3.43Å; T802-L805 PolarHBondContact O-N 3.49Å; T802-E806 HydrophobicContact CG2-CG 4.45Å; T802-E806 WeakPolarHBondContact O-CG 3.45Å; T802-E806 PolarHBondContact O-N 2.82Å
803M90.8Very high88.1Confident117 Ų11757 Ų5758%0.57627%0.27SS*.Hα-helixtrans-62.2-41.2175.5-69.2176.67200112I799 Y801 L805 E806 S807I799-M803 HydrophobicContact CG2-CG 4.35Å; I799-M803 HydrophobicContact CG2-SD 3.97Å; I799-M803 WeakPolarHBondContact O-CG 3.32Å; I799-M803 PolarHBondContact O-N 3.2Å; Y801-M803 PolarHBondContact O-N 2.96Å; M803-L805 VanDerWaalsContact C-N 3.32Å; M803-E806 PolarHBondContact O-N 3Å; M803-S807 VanDerWaalsContact O-CB 3.27Å; M803-S807 WeakPolarHBondContact O-CB 3.43Å; M803-S807 PolarHBondContact O-N 3.47Å
804A89.1Confident87.6Confident7 Ų760 Ų606%0.05829%0.286CS..Hα-helixtrans-66.5-35.417600000112.1R771 L772 K800 Y801 T802 Y808R771-A804 HydrophobicContact CB-CB 3.77Å; L772-A804 HydrophobicContact CB-CB 4.42Å; K800-A804 VanDerWaalsContact O-CB 3.31Å; K800-A804 WeakPolarHBondContact O-CB 3.3Å; K800-A804 PolarHBondContact O-N 3.35Å; Y801-A804 PolarHBondContact O-N 3.34Å; T802-A804 VanDerWaalsContact C-N 3.35Å; T802-A804 PolarHBondContact O-N 2.9Å; A804-Y808 VanDerWaalsContact O-CB 3.28Å; A804-Y808 WeakPolarHBondContact O-CB 3.27Å; A804-Y808 PolarHBondContact O-N 3.21Å
805L88Confident87Confident9 Ų963 Ų635%0.04731%0.307CS..Hα-helixtrans-67.5-47174.917966.8000111.7L772 Y801 T802 M803 Y808 V809 V887 V888L772-L805 HydrophobicContact CD1-CB 3.68Å; L772-L805 HydrophobicContact CD1-CD1 3.77Å; L772-L805 HydrophobicContact CD1-CG 4.31Å; L772-L805 HydrophobicContact CD2-CD1 4.25Å; Y801-L805 HydrophobicContact CE1-CD2 4.48Å; Y801-L805 WeakPolarHBondContact O-CB 3.46Å; Y801-L805 PolarHBondContact O-N 3.2Å; T802-L805 WeakPolarHBondContact O-CB 3.43Å; T802-L805 PolarHBondContact O-N 3.49Å; M803-L805 VanDerWaalsContact C-N 3.32Å; L805-Y808 PolarHBondContact O-N 2.83Å; L805-V809 HydrophobicContact CD1-CG2 4.38Å; L805-V809 WeakPolarHBondContact O-CB 3.2Å; L805-V809 WeakPolarHBondContact O-CG2 3.5Å; L805-V809 PolarHBondContact O-N 3.43Å; L805-V887 HydrophobicContact CD2-CG1 4.41Å; L805-V888 HydrophobicContact CD1-CB 4.44Å; L805-V888 HydrophobicContact CD1-CG2 3.7Å
806E87.8Confident86.3Confident108 Ų10855.1 Ų55.151%0.50528%0.277SS..Hα-helixtrans-61.3-49.1176.7-73.8171173.700110.8T802 M803 Y808 V809 E810T802-E806 HydrophobicContact CG2-CG 4.45Å; T802-E806 WeakPolarHBondContact O-CG 3.45Å; T802-E806 PolarHBondContact O-N 2.82Å; M803-E806 PolarHBondContact O-N 3Å; E806-Y808 VanDerWaalsContact C-N 3.34Å; E806-Y808 PolarHBondContact O-N 3.18Å; E806-V809 PolarHBondContact O-N 2.92Å; E806-E810 WeakPolarHBondContact O-CB 3.21Å; E806-E810 WeakPolarHBondContact O-CG 3.28Å; E806-E810 PolarHBondContact O-N 3.05Å
807S87.6Confident85.6Confident51 Ų5151.4 Ų51.436%0.35726%0.261SS..Hα-helixtrans-59-42.2175.9172.90000112.4M803 E810 D811M803-S807 VanDerWaalsContact O-CB 3.27Å; M803-S807 WeakPolarHBondContact O-CB 3.43Å; M803-S807 PolarHBondContact O-N 3.47Å; S807-E810 PolarHBondContact O-N 3.04Å; S807-D811 WeakPolarHBondContact O-CB 3.21Å; S807-D811 PolarHBondContact O-N 3.11Å
808Y87.1Confident85Confident3 Ų357.8 Ų57.81%0.01229%0.291CS..Hα-helixtrans-66.2-41.2177.1-179.8-122.9000112.5A768 V769 L772 A804 L805 E806 D811 I812 Q877 L878 V888A768-Y808 HydrophobicContact CB-CD2 4.15Å; V769-Y808 HydrophobicContact CG2-CD2 3.72Å; V769-Y808 HydrophobicContact CG2-CE2 3.2Å; L772-Y808 HydrophobicContact CD2-CD1 3.4Å; L772-Y808 VanDerWaalsContact CD2-CD1 3.4Å; L772-Y808 HydrophobicContact CD2-CE1 4.01Å; L772-Y808 HydrophobicContact CD2-CG 3.97Å; A804-Y808 VanDerWaalsContact O-CB 3.28Å; A804-Y808 WeakPolarHBondContact O-CB 3.27Å; A804-Y808 PolarHBondContact O-N 3.21Å; L805-Y808 PolarHBondContact O-N 2.83Å; E806-Y808 VanDerWaalsContact C-N 3.34Å; E806-Y808 PolarHBondContact O-N 3.18Å; Y808-D811 PolarHBondContact O-N 3.18Å; Y808-I812 HydrophobicContact CD1-CD1 3.77Å; Y808-I812 HydrophobicContact CD2-CD1 3.97Å; Y808-I812 HydrophobicContact CD2-CG1 4.29Å; Y808-I812 HydrophobicContact CE1-CD1 3.3Å; Y808-I812 HydrophobicContact CE2-CD1 3.47Å; Y808-I812 VanDerWaalsContact CE2-CD1 3.47Å; Y808-I812 HydrophobicContact CE2-CG1 3.87Å; Y808-I812 HydrophobicContact CG-CD1 4.11Å; Y808-I812 WeakPolarHBondContact O-CG1 3.44Å; Y808-I812 PolarHBondContact O-N 3.38Å; Y808-I812 WeakPolarHBondContact OH-CD1 3.42Å; Y808-Q877 VanDerWaalsContact CE2-OE1 3.31Å; Y808-Q877 PolarHBondContact OH-OE1 2.92Å; Y808-L878 HydrophobicContact CE1-CD2 4.24Å; Y808-V888 HydrophobicContact CD1-CG1 4.05Å; Y808-V888 HydrophobicContact CE1-CG1 3.85Å
809V86.5Confident84.5Confident3 Ų358.4 Ų58.42%0.01829%0.293CS..Hα-helixtrans-65.9-41177.2171.40000110.3L805 E806 I812 M813 N891 V892 S895L805-V809 HydrophobicContact CD1-CG2 4.38Å; L805-V809 WeakPolarHBondContact O-CB 3.2Å; L805-V809 WeakPolarHBondContact O-CG2 3.5Å; L805-V809 PolarHBondContact O-N 3.43Å; E806-V809 PolarHBondContact O-N 2.92Å; V809-I812 PolarHBondContact O-N 3.3Å; V809-M813 HydrophobicContact CG1-CG 4.08Å; V809-M813 WeakPolarHBondContact O-CB 3.32Å; V809-M813 WeakPolarHBondContact O-CG 3.4Å; V809-M813 PolarHBondContact O-N 3.46Å; V809-N891 HydrophobicContact CG2-CB 3.92Å; V809-V892 HydrophobicContact CG1-CG2 4.18Å; V809-V892 HydrophobicContact CG2-CG2 4.04Å; V809-S895 WeakPolarHBondContact CG1-OG 3.49Å
810E84.4Confident84Confident124 Ų12453.8 Ų53.858%0.57927%0.269SS*.Hα-helixtrans-61.2-48173.7-74.9178.1175.100111.6E806 S807 I812 M813 D814E806-E810 WeakPolarHBondContact O-CB 3.21Å; E806-E810 WeakPolarHBondContact O-CG 3.28Å; E806-E810 PolarHBondContact O-N 3.05Å; S807-E810 PolarHBondContact O-N 3.04Å; E810-I812 VanDerWaalsContact C-N 3.29Å; E810-I812 PolarHBondContact O-N 3.3Å; E810-M813 PolarHBondContact O-N 3.32Å; E810-D814 VanDerWaalsContact O-CB 3.28Å; E810-D814 WeakPolarHBondContact O-CB 3.32Å; E810-D814 VanDerWaalsContact O-CG 3.29Å; E810-D814 PolarHBondContact O-N 2.93Å
811D83.4Confident83.5Confident77 Ų7752.2 Ų52.241%0.41226%0.262SS..Hα-helixtrans-58.4-39.1178.2-74-12.1000112.5S807 Y808 N815S807-D811 WeakPolarHBondContact O-CB 3.21Å; S807-D811 PolarHBondContact O-N 3.11Å; Y808-D811 PolarHBondContact O-N 3.18Å; D811-N815 PolarHBondContact O-ND2 2.93Å
812I82.7Confident83.2Confident7 Ų754.7 Ų54.74%0.03628%0.28CS..Hα-helixtrans-73.1-45.9176.8-68.8164.8000111Y808 V809 E810 D814 N815 L870 I874Y808-I812 HydrophobicContact CD1-CD1 3.77Å; Y808-I812 HydrophobicContact CD2-CD1 3.97Å; Y808-I812 HydrophobicContact CD2-CG1 4.29Å; Y808-I812 HydrophobicContact CE1-CD1 3.3Å; Y808-I812 HydrophobicContact CE2-CD1 3.47Å; Y808-I812 VanDerWaalsContact CE2-CD1 3.47Å; Y808-I812 HydrophobicContact CE2-CG1 3.87Å; Y808-I812 HydrophobicContact CG-CD1 4.11Å; Y808-I812 WeakPolarHBondContact O-CG1 3.44Å; Y808-I812 PolarHBondContact O-N 3.38Å; Y808-I812 WeakPolarHBondContact OH-CD1 3.42Å; V809-I812 PolarHBondContact O-N 3.3Å; E810-I812 VanDerWaalsContact C-N 3.29Å; E810-I812 PolarHBondContact O-N 3.3Å; I812-D814 PolarHBondContact O-N 2.84Å; I812-N815 PolarHBondContact O-N 3.01Å; I812-L870 HydrophobicContact CG2-CD2 3.47Å; I812-L870 VanDerWaalsContact CG2-CD2 3.47Å; I812-I874 HydrophobicContact CD1-CD1 4.26Å; I812-I874 HydrophobicContact CD1-CG1 3.65Å
813M80.7Confident82.9Confident4 Ų452.9 Ų52.92%0.0227%0.268CS..Hα-helixtrans-65.2-28.2-178.9-73.1-65.2-58.100111.8V809 E810 N815 S816 V892 F896V809-M813 HydrophobicContact CG1-CG 4.08Å; V809-M813 WeakPolarHBondContact O-CB 3.32Å; V809-M813 WeakPolarHBondContact O-CG 3.4Å; V809-M813 PolarHBondContact O-N 3.46Å; E810-M813 PolarHBondContact O-N 3.32Å; M813-N815 PolarHBondContact O-N 2.96Å; M813-S816 WeakPolarHBondContact CA-OG 3.27Å; M813-S816 PolarHBondContact O-N 3.49Å; M813-S816 PolarHBondContact O-OG 3.46Å; M813-V892 HydrophobicContact SD-CG1 4.07Å; M813-F896 HydrophobicContact CE-CB 4.05Å; M813-F896 HydrophobicContact CE-CD2 3.8Å; M813-F896 HydrophobicContact CE-CG 4.29Å; M813-F896 HydrophobicContact SD-CB 4.46Å; M813-F896 HydrophobicContact SD-CD2 4.28Å
814D77.7Confident82.6Confident72 Ų7247.3 Ų47.339%0.38524%0.241SC..Hα-helixtrans-65.3-26.3177.1-87.811.9000113.5E810 I812 K821 R899E810-D814 VanDerWaalsContact O-CB 3.28Å; E810-D814 WeakPolarHBondContact O-CB 3.32Å; E810-D814 VanDerWaalsContact O-CG 3.29Å; E810-D814 PolarHBondContact O-N 2.93Å; I812-D814 PolarHBondContact O-N 2.84Å; D814-K821 IonicContact OD1-NZ 3.36Å; D814-K821 PolarHBondContact OD1-NZ 3.37Å; D814-K821 IonicContact OD2-NZ 2.92Å; D814-K821 PolarHBondContact OD2-NZ 3.21Å; D814-K821 VanDerWaalsContact OD2-NZ 3.09Å; D814-R899 IonicContact OD1-NH1 3.29Å
815N73.8Confident82.5Confident129 Ų12949.8 Ų49.869%0.6925%0.253SS*.THydrogen-bonded Turntrans-88.2-5.3173.9-64-52.1000113.2D811 I812 M813D811-N815 PolarHBondContact O-ND2 2.93Å; I812-N815 PolarHBondContact O-N 3.01Å; M813-N815 PolarHBondContact O-N 2.96Å
816S75.6Confident82.3Confident2 Ų251.1 Ų51.11%0.01426%0.263CS..SBendtrans-100.4140.8-178.373.70000111.7M813 E818M813-S816 WeakPolarHBondContact CA-OG 3.27Å; M813-S816 PolarHBondContact O-N 3.49Å; M813-S816 PolarHBondContact O-OG 3.46Å; S816-E818 PolarHBondContact O-N 2.77Å
817L77.3Confident82.1Confident15 Ų1546 Ų468%0.07924%0.239CC..SBendtrans5337.7177.4-54.8175000113.3K819 L820 K821 Y858 E866 F896L817-K819 PolarHBondContact O-N 2.9Å; L817-L820 HydrophobicContact CB-CB 4.13Å; L817-L820 HydrophobicContact CB-CD2 4.31Å; L817-L820 HydrophobicContact CD1-CD2 4.05Å; L817-L820 WeakPolarHBondContact O-CA 3.34Å; L817-L820 WeakPolarHBondContact O-CB 3.47Å; L817-L820 PolarHBondContact O-N 3.39Å; L817-K821 PolarHBondContact O-N 3.04Å; L817-Y858 HydrophobicContact CD2-CD1 3.48Å; L817-Y858 VanDerWaalsContact CD2-CD1 3.48Å; L817-Y858 HydrophobicContact CD2-CE1 3.68Å; L817-Y858 HydrophobicContact CD2-CG 4.19Å; L817-E866 HydrophobicContact CD2-CG 4.4Å; L817-F896 HydrophobicContact CD1-CE2 3.71Å; L817-F896 HydrophobicContact CD1-CZ 3.67Å; L817-F896 HydrophobicContact CG-CE2 4.39Å
818E77.8Confident81.9Confident134 Ų13444.5 Ų44.563%0.62623%0.229SC*.Hα-helixtrans-48.4-51.9-168.3-171.6-176.7-177.300113S816 L820 K821 T822S816-E818 PolarHBondContact O-N 2.77Å; E818-L820 VanDerWaalsContact C-N 3.33Å; E818-L820 PolarHBondContact O-N 2.94Å; E818-K821 CarbonylContact O-C 3.59Å; E818-K821 WeakPolarHBondContact O-CB 3.48Å; E818-K821 PolarHBondContact O-N 3.34Å; E818-T822 PolarHBondContact O-N 2.85Å; E818-T822 PolarHBondContact O-OG1 2.89Å
819K80.3Confident81.8Confident127 Ų12749.5 Ų49.555%0.55225%0.252SS*.Hα-helixtrans-63.2-38.2-179.1-58.8-180-179.9173.70113.3L817 F823 Y858L817-K819 PolarHBondContact O-N 2.9Å; K819-F823 WeakPolarHBondContact O-CB 3.4Å; K819-F823 PolarHBondContact O-N 3.46Å; K819-F823 VanDerWaalsContact O-N 3.13Å; K819-Y858 HydrophobicContact CB-CE2 4.21Å; K819-Y858 WeakPolarHBondContact CB-OH 3.24Å; K819-Y858 PolarHBondContact N-OH 2.95Å
820L80.8Confident81.6Confident3 Ų350 Ų502%0.01626%0.256CS..Hα-helixtrans-67.1-43.9177.9-16974.1000109.5L817 E818 F823 F824 I854 Y858 Y903 M918L817-L820 HydrophobicContact CB-CB 4.13Å; L817-L820 HydrophobicContact CB-CD2 4.31Å; L817-L820 HydrophobicContact CD1-CD2 4.05Å; L817-L820 WeakPolarHBondContact O-CA 3.34Å; L817-L820 WeakPolarHBondContact O-CB 3.47Å; L817-L820 PolarHBondContact O-N 3.39Å; E818-L820 VanDerWaalsContact C-N 3.33Å; E818-L820 PolarHBondContact O-N 2.94Å; L820-F823 PolarHBondContact O-N 3.39Å; L820-F824 HydrophobicContact CD1-CD2 4.13Å; L820-F824 HydrophobicContact CD1-CE2 3.56Å; L820-F824 HydrophobicContact CG-CD2 3.95Å; L820-F824 HydrophobicContact CG-CE2 3.84Å; L820-F824 VanDerWaalsContact O-CD2 3.22Å; L820-F824 WeakPolarHBondContact O-CD2 3.39Å; L820-F824 PolarHBondContact O-N 2.88Å; L820-I854 HydrophobicContact CD1-CG2 3.66Å; L820-Y858 HydrophobicContact CB-CD2 4Å; L820-Y858 HydrophobicContact CB-CE2 3.74Å; L820-Y858 HydrophobicContact CD1-CD2 4.23Å; L820-Y903 HydrophobicContact CD2-CD2 3.92Å; L820-Y903 HydrophobicContact CD2-CE2 3.99Å; L820-Y903 HydrophobicContact CG-CD2 4.24Å; L820-Y903 HydrophobicContact CG-CE2 4.19Å; L820-M918 HydrophobicContact CD2-CE 4.05Å
821K80.5Confident81.5Confident30 Ų3046 Ų4613%0.1324%0.238CC..Hα-helixtrans-59.2-55174.5171.6-176.9170.4-176.90111.6D814 L817 E818 F823 F824 D825 R899 Y903D814-K821 IonicContact OD1-NZ 3.36Å; D814-K821 PolarHBondContact OD1-NZ 3.37Å; D814-K821 IonicContact OD2-NZ 2.92Å; D814-K821 PolarHBondContact OD2-NZ 3.21Å; D814-K821 VanDerWaalsContact OD2-NZ 3.09Å; L817-K821 PolarHBondContact O-N 3.04Å; E818-K821 CarbonylContact O-C 3.59Å; E818-K821 WeakPolarHBondContact O-CB 3.48Å; E818-K821 PolarHBondContact O-N 3.34Å; K821-F823 PolarHBondContact O-N 2.85Å; K821-F824 PolarHBondContact O-N 2.88Å; K821-D825 WeakPolarHBondContact CE-OD2 3.45Å; K821-D825 WeakPolarHBondContact CG-OD2 3.31Å; K821-D825 VanDerWaalsContact O-CB 3.22Å; K821-D825 WeakPolarHBondContact O-CB 3.39Å; K821-D825 PolarHBondContact O-N 3.06Å; K821-R899 VanDerWaalsContact CG-NH2 3.3Å; K821-Y903 VanDerWaalsContact CA-OH 3.3Å; K821-Y903 WeakPolarHBondContact CA-OH 3.3Å
822T84.4Confident81.5Confident77 Ų7748.9 Ų48.947%0.47225%0.253SS..Hα-helixtrans-57.8-38-178.6-42.50000111.5E818 S826E818-T822 PolarHBondContact O-N 2.85Å; E818-T822 PolarHBondContact O-OG1 2.89Å; T822-S826 VanDerWaalsContact O-CB 3.25Å; T822-S826 WeakPolarHBondContact O-CB 3.24Å; T822-S826 PolarHBondContact O-N 3.39Å; T822-S826 PolarHBondContact O-OG 3.12Å
823F84.7Confident81.6Confident12 Ų1255.1 Ų55.15%0.05328%0.282CS..Hα-helixtrans-63.5-54.1176.5-176.4-99.9000112.1K819 L820 K821 S826 I827 Y846 E850 L851 I854K819-F823 WeakPolarHBondContact O-CB 3.4Å; K819-F823 PolarHBondContact O-N 3.46Å; K819-F823 VanDerWaalsContact O-N 3.13Å; L820-F823 PolarHBondContact O-N 3.39Å; K821-F823 PolarHBondContact O-N 2.85Å; F823-S826 PolarHBondContact O-N 3.34Å; F823-I827 HydrophobicContact CD1-CD1 3.69Å; F823-I827 HydrophobicContact CE1-CD1 3.28Å; F823-I827 HydrophobicContact CE1-CG1 4.46Å; F823-I827 HydrophobicContact CG-CD1 4.47Å; F823-I827 HydrophobicContact CZ-CD1 3.79Å; F823-I827 WeakPolarHBondContact O-CG1 3.2Å; F823-I827 PolarHBondContact O-N 3.42Å; F823-Y846 AromaticContact CD2-CD1 3.88Å; F823-Y846 HydrophobicContact CD2-CD1 3.88Å; F823-Y846 HydrophobicContact CD2-CE1 4.45Å; F823-Y846 AromaticContact CE2-CD1 3.67Å; F823-Y846 HydrophobicContact CE2-CD1 3.67Å; F823-Y846 HydrophobicContact CE2-CG 4.44Å; F823-Y846 HydrophobicContact CZ-CD1 4.32Å; F823-E850 HydrophobicContact CE2-CG 4.17Å; F823-L851 HydrophobicContact CE1-CB 4.34Å; F823-L851 HydrophobicContact CE1-CD1 3.63Å; F823-L851 HydrophobicContact CZ-CB 4.12Å; F823-L851 HydrophobicContact CZ-CD1 4.28Å; F823-I854 HydrophobicContact CB-CD1 3.83Å; F823-I854 HydrophobicContact CD1-CD1 4.23Å; F823-I854 HydrophobicContact CD2-CD1 3.15Å; F823-I854 HydrophobicContact CE2-CD1 3.63Å; F823-I854 HydrophobicContact CG-CD1 3.48Å; F823-I854 VanDerWaalsContact CG-CD1 3.48Å; F823-I854 HydrophobicContact CZ-CD1 4.36Å
824F85.2Confident81.6Confident0 Ų058 Ų580%031%0.312CS..Hα-helixtrans-72.9-29.7-179.1-74.6-63.3000114.3L820 K821 S826 I827 S828 L851 Y903 L906 I907L820-F824 HydrophobicContact CD1-CD2 4.13Å; L820-F824 HydrophobicContact CD1-CE2 3.56Å; L820-F824 HydrophobicContact CG-CD2 3.95Å; L820-F824 HydrophobicContact CG-CE2 3.84Å; L820-F824 VanDerWaalsContact O-CD2 3.22Å; L820-F824 WeakPolarHBondContact O-CD2 3.39Å; L820-F824 PolarHBondContact O-N 2.88Å; K821-F824 PolarHBondContact O-N 2.88Å; F824-S826 VanDerWaalsContact C-N 3.32Å; F824-I827 HydrophobicContact CD1-CD1 4.03Å; F824-I827 HydrophobicContact CE1-CD1 4.31Å; F824-I827 PolarHBondContact O-N 2.97Å; F824-S828 WeakPolarHBondContact O-CB 3.23Å; F824-S828 PolarHBondContact O-N 3.06Å; F824-S828 PolarHBondContact O-OG 2.73Å; F824-L851 HydrophobicContact CE1-CD1 4.26Å; F824-L851 HydrophobicContact CZ-CD1 3.93Å; F824-Y903 HydrophobicContact CB-CD1 3.4Å; F824-Y903 VanDerWaalsContact CB-CD1 3.4Å; F824-Y903 HydrophobicContact CB-CE1 3.28Å; F824-Y903 HydrophobicContact CB-CG 4.26Å; F824-Y903 HydrophobicContact CD1-CD1 4.17Å; F824-Y903 AromaticContact CD2-CD1 3.46Å; F824-Y903 HydrophobicContact CD2-CD1 3.46Å; F824-Y903 VanDerWaalsContact CD2-CD1 3.46Å; F824-Y903 AromaticContact CD2-CD2 3.71Å; F824-Y903 HydrophobicContact CD2-CD2 3.71Å; F824-Y903 AromaticContact CD2-CE1 3.84Å; F824-Y903 HydrophobicContact CD2-CE1 3.84Å; F824-Y903 HydrophobicContact CD2-CE2 4.06Å; F824-Y903 AromaticContact CD2-CG 3.38Å; F824-Y903 HydrophobicContact CD2-CG 3.38Å; F824-Y903 HydrophobicContact CE2-CD1 4.27Å; F824-Y903 HydrophobicContact CE2-CD2 4.08Å; F824-Y903 AromaticContact CE2-CG 3.8Å; F824-Y903 HydrophobicContact CE2-CG 3.8Å; F824-Y903 AromaticContact CG-CD1 3.41Å; F824-Y903 HydrophobicContact CG-CD1 3.41Å; F824-Y903 VanDerWaalsContact CG-CD1 3.41Å; F824-Y903 HydrophobicContact CG-CD2 4.5Å; F824-Y903 AromaticContact CG-CE1 3.78Å; F824-Y903 HydrophobicContact CG-CE1 3.78Å; F824-Y903 AromaticContact CG-CG 3.82Å; F824-Y903 HydrophobicContact CG-CG 3.82Å; F824-L906 HydrophobicContact CB-CD1 4.19Å; F824-L906 HydrophobicContact CD1-CB 4.14Å; F824-L906 HydrophobicContact CD1-CD1 4.05Å; F824-L906 HydrophobicContact CE1-CB 4.42Å; F824-L906 HydrophobicContact CG-CD1 4.48Å; F824-I907 HydrophobicContact CE1-CD1 4.32Å; F824-I907 HydrophobicContact CE1-CG1 3.71Å; F824-I907 HydrophobicContact CZ-CD1 3.78Å; F824-I907 HydrophobicContact CZ-CG1 3.67Å
825D85Confident81.6Confident58 Ų5857.1 Ų57.131%0.3131%0.307SS..Hα-helixtrans-67.6-38.2173.3-71-1.9000109.6K821 S828 H829 R899K821-D825 WeakPolarHBondContact CE-OD2 3.45Å; K821-D825 WeakPolarHBondContact CG-OD2 3.31Å; K821-D825 VanDerWaalsContact O-CB 3.22Å; K821-D825 WeakPolarHBondContact O-CB 3.39Å; K821-D825 PolarHBondContact O-N 3.06Å; D825-S828 PolarHBondContact O-N 3.26Å; D825-H829 VanDerWaalsContact O-CB 3.32Å; D825-H829 WeakPolarHBondContact O-CB 3.36Å; D825-H829 PolarHBondContact O-N 3.42Å; D825-R899 IonicContact OD1-NH2 3.4Å; D825-R899 IonicContact OD2-NH2 2.58Å
826S83.7Confident81.8Confident37 Ų3757.5 Ų57.526%0.25930%0.303SS..Hα-helixtrans-67.3-41173.6-57.60000112.1T822 F823 F824 H829 C830 Y846T822-S826 VanDerWaalsContact O-CB 3.25Å; T822-S826 WeakPolarHBondContact O-CB 3.24Å; T822-S826 PolarHBondContact O-N 3.39Å; T822-S826 PolarHBondContact O-OG 3.12Å; F823-S826 PolarHBondContact O-N 3.34Å; F824-S826 VanDerWaalsContact C-N 3.32Å; S826-H829 WeakPolarHBondContact O-CB 3.46Å; S826-H829 PolarHBondContact O-N 2.97Å; S826-C830 PolarHBondContact O-N 3.18Å; S826-C830 PolarHBondContact O-SG 2.73Å; S826-Y846 VanDerWaalsContact CB-OH 3.32Å; S826-Y846 WeakPolarHBondContact CB-OH 3.48Å
827I84.2Confident81.8Confident0 Ų058.7 Ų58.70%031%0.31CS..Hα-helixtrans-59.2-49.7171.6-72.1171.8000110.4F823 F824 H829 C830 I831 I840 Y846 L906 Y911F823-I827 HydrophobicContact CD1-CD1 3.69Å; F823-I827 HydrophobicContact CE1-CD1 3.28Å; F823-I827 HydrophobicContact CE1-CG1 4.46Å; F823-I827 HydrophobicContact CG-CD1 4.47Å; F823-I827 HydrophobicContact CZ-CD1 3.79Å; F823-I827 WeakPolarHBondContact O-CG1 3.2Å; F823-I827 PolarHBondContact O-N 3.42Å; F824-I827 HydrophobicContact CD1-CD1 4.03Å; F824-I827 HydrophobicContact CE1-CD1 4.31Å; F824-I827 PolarHBondContact O-N 2.97Å; I827-H829 VanDerWaalsContact C-N 3.25Å; I827-H829 PolarHBondContact O-N 3.43Å; I827-C830 WeakPolarHBondContact O-CB 3.34Å; I827-C830 PolarHBondContact O-N 3.02Å; I827-C830 VanDerWaalsContact O-N 3.12Å; I827-I831 HydrophobicContact CG2-CD1 4.06Å; I827-I831 WeakPolarHBondContact O-CG1 3.26Å; I827-I831 PolarHBondContact O-N 2.99Å; I827-I840 HydrophobicContact CG1-CG2 4.03Å; I827-I840 HydrophobicContact CG2-CD1 4.06Å; I827-I840 HydrophobicContact CG2-CG2 4.21Å; I827-Y846 HydrophobicContact CG1-CD1 4.02Å; I827-Y846 HydrophobicContact CG1-CG 4.11Å; I827-L906 HydrophobicContact CG2-CD2 4.42Å; I827-Y911 HydrophobicContact CD1-CE2 4.18Å
828S83.8Confident81.7Confident20 Ų2063 Ų6314%0.1433%0.33CS..Hα-helixtrans-59.8-38.7178-58.70000111.4F824 D825 I831 N832 L906F824-S828 WeakPolarHBondContact O-CB 3.23Å; F824-S828 PolarHBondContact O-N 3.06Å; F824-S828 PolarHBondContact O-OG 2.73Å; D825-S828 PolarHBondContact O-N 3.26Å; S828-I831 PolarHBondContact O-N 3.03Å; S828-N832 WeakPolarHBondContact O-CB 3.29Å; S828-N832 PolarHBondContact O-N 3.06Å; S828-N832 PolarHBondContact O-ND2 3.36Å; S828-L906 VanDerWaalsContact OG-CD1 3.31Å; S828-L906 WeakPolarHBondContact OG-CD1 3.24Å
829H85.1Confident81.8Confident108 Ų10860.4 Ų60.450%0.532%0.32SS..Hα-helixtrans-64.6-43.2174.9-17069.6000111.9D825 S826 I827 I831 N832 Q833D825-H829 VanDerWaalsContact O-CB 3.32Å; D825-H829 WeakPolarHBondContact O-CB 3.36Å; D825-H829 PolarHBondContact O-N 3.42Å; S826-H829 WeakPolarHBondContact O-CB 3.46Å; S826-H829 PolarHBondContact O-N 2.97Å; I827-H829 VanDerWaalsContact C-N 3.25Å; I827-H829 PolarHBondContact O-N 3.43Å; H829-I831 PolarHBondContact O-N 2.97Å; H829-N832 PolarHBondContact O-N 3.36Å; H829-Q833 PolarHBondContact CD2-NE2 2.94Å; H829-Q833 VanDerWaalsContact CD2-NE2 3.34Å; H829-Q833 PolarHBondContact NE2-NE2 3.26Å; H829-Q833 WeakPolarHBondContact O-CG 3.35Å; H829-Q833 PolarHBondContact O-N 3.28Å
830C82.9Confident81.6Confident14 Ų1454.3 Ų54.310%0.09529%0.294CS..Hα-helixtrans-60.3-44.1173.8-70.10000111.8S826 I827 N832 Q833 M835 I840S826-C830 PolarHBondContact O-N 3.18Å; S826-C830 PolarHBondContact O-SG 2.73Å; I827-C830 WeakPolarHBondContact O-CB 3.34Å; I827-C830 PolarHBondContact O-N 3.02Å; I827-C830 VanDerWaalsContact O-N 3.12Å; C830-N832 VanDerWaalsContact C-N 3.33Å; C830-N832 PolarHBondContact O-N 3.06Å; C830-Q833 PolarHBondContact O-N 3.43Å; C830-M835 HydrophobicContact CB-CB 4.45Å; C830-M835 HydrophobicContact CB-CG 4.22Å; C830-M835 WeakPolarHBondContact O-CB 3.44Å; C830-M835 WeakPolarHBondContact O-CG 3.24Å; C830-M835 PolarHBondContact O-N 3.28Å; C830-I840 HydrophobicContact CB-CD1 4.28Å
831I82.2Confident81.3Confident41 Ų4154.8 Ų54.821%0.2130%0.297CS..Hα-helixtrans-59.4-45.8174.7-63.2170.8000110.4I827 S828 H829 Q833 G834 I840 L906I827-I831 HydrophobicContact CG2-CD1 4.06Å; I827-I831 WeakPolarHBondContact O-CG1 3.26Å; I827-I831 PolarHBondContact O-N 2.99Å; S828-I831 PolarHBondContact O-N 3.03Å; H829-I831 PolarHBondContact O-N 2.97Å; I831-Q833 VanDerWaalsContact C-N 3.27Å; I831-Q833 PolarHBondContact O-N 3.22Å; I831-G834 WeakPolarHBondContact O-CA 3.41Å; I831-G834 PolarHBondContact O-N 2.97Å; I831-I840 HydrophobicContact CD1-CD1 4.01Å; I831-I840 HydrophobicContact CG1-CD1 3.27Å; I831-L906 HydrophobicContact CD1-CD2 3.56Å
832N82.9Confident81.2Confident136 Ų13662 Ų6273%0.72733%0.325SS*.Hα-helixtrans-66.2-26.6179.3-71.8-23.7000113.3S828 H829 C830 G834S828-N832 WeakPolarHBondContact O-CB 3.29Å; S828-N832 PolarHBondContact O-N 3.06Å; S828-N832 PolarHBondContact O-ND2 3.36Å; H829-N832 PolarHBondContact O-N 3.36Å; C830-N832 VanDerWaalsContact C-N 3.33Å; C830-N832 PolarHBondContact O-N 3.06Å; N832-G834 PolarHBondContact O-N 3.4Å
833Q84.2Confident80.8Confident138 Ų13861.3 Ų61.365%0.64532%0.317SS*.THydrogen-bonded Turntrans-74.50.4170.5-71.9-174.6-100113.3H829 C830 I831H829-Q833 PolarHBondContact CD2-NE2 2.94Å; H829-Q833 VanDerWaalsContact CD2-NE2 3.34Å; H829-Q833 PolarHBondContact NE2-NE2 3.26Å; H829-Q833 WeakPolarHBondContact O-CG 3.35Å; H829-Q833 PolarHBondContact O-N 3.28Å; C830-Q833 PolarHBondContact O-N 3.43Å; I831-Q833 VanDerWaalsContact C-N 3.27Å; I831-Q833 PolarHBondContact O-N 3.22Å
834G80.3Confident80.5Confident64 Ų6469.1 Ų69.166%0.6635%0.353SS*.THydrogen-bonded Turntrans92.79.5176.700000114.4I831 N832 K836I831-G834 WeakPolarHBondContact O-CA 3.41Å; I831-G834 PolarHBondContact O-N 2.97Å; N832-G834 PolarHBondContact O-N 3.4Å; G834-K836 PolarHBondContact O-N 3.26Å
835M78.5Confident80.2Confident54 Ų5471.9 Ų71.927%0.26638%0.376SS..  trans-63.5133.4169.8-68.2-87.7-60.100109.3C830 D839 I840 Q843C830-M835 HydrophobicContact CB-CB 4.45Å; C830-M835 HydrophobicContact CB-CG 4.22Å; C830-M835 WeakPolarHBondContact O-CB 3.44Å; C830-M835 WeakPolarHBondContact O-CG 3.24Å; C830-M835 PolarHBondContact O-N 3.28Å; M835-D839 HydrophobicContact CE-CB 4.24Å; M835-I840 HydrophobicContact CB-CG1 4.41Å; M835-I840 HydrophobicContact CE-CG1 4.43Å; M835-Q843 HydrophobicContact CE-CG 3.92Å
836K78.9Confident80Confident138 Ų13871.1 Ų71.160%0.637%0.369SS*.  trans-66.5139172.6-66.4-176.8178.8177.70109.3G834 E838 D839G834-K836 PolarHBondContact O-N 3.26Å; K836-E838 WeakPolarHBondContact CB-OE2 3.35Å; K836-E838 PolarHBondContact O-N 3.49Å; K836-E838 VanDerWaalsContact O-N 3.14Å; K836-D839 WeakPolarHBondContact O-CB 3.46Å; K836-D839 PolarHBondContact O-N 2.98Å
837P74.3Confident79.9Confident27 Ų2771.5 Ų71.518%0.17537%0.368CS..Hα-helixtrans-56.9-33.1-176.2-23.532.4000113.4D839 I840 L909 C910P837-D839 VanDerWaalsContact C-N 3.3Å; P837-D839 PolarHBondContact O-N 2.73Å; P837-I840 PolarHBondContact O-N 2.83Å; P837-L909 HydrophobicContact CB-CD1 4.45Å; P837-L909 HydrophobicContact CB-CD2 3.74Å; P837-L909 HydrophobicContact CB-CG 3.57Å; P837-L909 HydrophobicContact CG-CD1 4.43Å; P837-L909 HydrophobicContact CG-CD2 3.65Å; P837-L909 HydrophobicContact CG-CG 3.86Å; P837-C910 WeakPolarHBondContact O-CA 3.35Å
838E76Confident79.6Confident106 Ų10675.3 Ų75.350%0.49538%0.382SS..Hα-helixtrans-68-30.4179.8-54.285.6-179.200112.6K836 I840 S841K836-E838 WeakPolarHBondContact CB-OE2 3.35Å; K836-E838 PolarHBondContact O-N 3.49Å; K836-E838 VanDerWaalsContact O-N 3.14Å; E838-I840 VanDerWaalsContact C-N 3.3Å; E838-I840 PolarHBondContact O-N 3.42Å; E838-S841 PolarHBondContact O-OG 2.95Å
839D79.1Confident79.4Confident78 Ų7881.2 Ų81.242%0.41741%0.408SS..Hα-helixtrans-74.7-22.8-176.2-67.9-24.7000112.4M835 K836 P837 S841 Y842M835-D839 HydrophobicContact CE-CB 4.24Å; K836-D839 WeakPolarHBondContact O-CB 3.46Å; K836-D839 PolarHBondContact O-N 2.98Å; P837-D839 VanDerWaalsContact C-N 3.3Å; P837-D839 PolarHBondContact O-N 2.73Å; D839-S841 PolarHBondContact O-N 2.89Å; D839-Y842 PolarHBondContact O-N 3.45Å; D839-Y842 VanDerWaalsContact O-N 3.14Å
840I76.9Confident79.2Confident0 Ų078.8 Ų78.80%040%0.396CS..Hα-helixtrans-62.3-34.8-179.3-63179.8000110.8I827 C830 I831 M835 P837 E838 Y842 Q843 Y846 C910I827-I840 HydrophobicContact CG1-CG2 4.03Å; I827-I840 HydrophobicContact CG2-CD1 4.06Å; I827-I840 HydrophobicContact CG2-CG2 4.21Å; C830-I840 HydrophobicContact CB-CD1 4.28Å; I831-I840 HydrophobicContact CD1-CD1 4.01Å; I831-I840 HydrophobicContact CG1-CD1 3.27Å; M835-I840 HydrophobicContact CB-CG1 4.41Å; M835-I840 HydrophobicContact CE-CG1 4.43Å; P837-I840 PolarHBondContact O-N 2.83Å; E838-I840 VanDerWaalsContact C-N 3.3Å; E838-I840 PolarHBondContact O-N 3.42Å; I840-Y842 PolarHBondContact O-N 3.2Å; I840-Y842 VanDerWaalsContact O-N 3.12Å; I840-Q843 PolarHBondContact O-N 3.06Å; I840-Q843 VanDerWaalsContact O-N 3.07Å; I840-Y846 HydrophobicContact CG2-CD2 4.5Å; I840-Y846 HydrophobicContact CG2-CG 4.5Å; I840-C910 HydrophobicContact CB-CB 4.48Å
841S73.7Confident79Confident13 Ų1378.1 Ų78.19%0.09139%0.392CS..THydrogen-bonded Turntrans-64-17.7179.572.50000114.5E838 D839E838-S841 PolarHBondContact O-OG 2.95Å; D839-S841 PolarHBondContact O-N 2.89Å
842Y78.2Confident78.9Confident180 Ų18082 Ų8271%0.70640%0.404SS*.THydrogen-bonded Turntrans-95.1-12.7177.2-58.7-77.8000113.5D839 I840 Q844D839-Y842 PolarHBondContact O-N 3.45Å; D839-Y842 VanDerWaalsContact O-N 3.14Å; I840-Y842 PolarHBondContact O-N 3.2Å; I840-Y842 VanDerWaalsContact O-N 3.12Å; Y842-Q844 PolarHBondContact O-N 3.42Å
843Q77.4Confident78.8Confident64 Ų6481.9 Ų81.930%0.29939%0.393SS..SBendtrans-68.8131.1175.9-69.4-155.4-22.800110.2M835 I840 A845 Y846 N847M835-Q843 HydrophobicContact CE-CG 3.92Å; I840-Q843 PolarHBondContact O-N 3.06Å; I840-Q843 VanDerWaalsContact O-N 3.07Å; Q843-A845 PolarHBondContact O-N 3.01Å; Q843-A845 VanDerWaalsContact O-N 3.17Å; Q843-Y846 HydrophobicContact CB-CD2 3.94Å; Q843-Y846 CarbonylContact O-C 3.33Å; Q843-Y846 PolarHBondContact O-N 2.93Å; Q843-Y846 VanDerWaalsContact OE1-CE2 3.25Å; Q843-N847 PolarHBondContact O-N 2.9Å
844Q77.9Confident78.6Confident176 Ų17676 Ų7682%0.82237%0.366SS*.G310 helixtrans-57.1-37-174.8-170.8177.28.100112.9Y842 Y846 N847Y842-Q844 PolarHBondContact O-N 3.42Å; Q844-Y846 VanDerWaalsContact C-N 3.32Å; Q844-Y846 PolarHBondContact O-N 3.39Å; Q844-N847 PolarHBondContact O-ND2 2.92Å
845A78.8Confident78.6Confident57 Ų5773.8 Ų73.847%0.47134%0.34SS..G310 helixtrans-72.7-21.8179.100000114Q843Q843-A845 PolarHBondContact O-N 3.01Å; Q843-A845 VanDerWaalsContact O-N 3.17Å
846Y81.5Confident78.7Confident43 Ų4376.6 Ų76.617%0.16935%0.352CS..G310 helixtrans-126.827.9-175.2-43.4-65000111.3F823 S826 I827 I840 Q843 Q844 Y911F823-Y846 AromaticContact CD2-CD1 3.88Å; F823-Y846 HydrophobicContact CD2-CD1 3.88Å; F823-Y846 HydrophobicContact CD2-CE1 4.45Å; F823-Y846 AromaticContact CE2-CD1 3.67Å; F823-Y846 HydrophobicContact CE2-CD1 3.67Å; F823-Y846 HydrophobicContact CE2-CG 4.44Å; F823-Y846 HydrophobicContact CZ-CD1 4.32Å; S826-Y846 VanDerWaalsContact CB-OH 3.32Å; S826-Y846 WeakPolarHBondContact CB-OH 3.48Å; I827-Y846 HydrophobicContact CG1-CD1 4.02Å; I827-Y846 HydrophobicContact CG1-CG 4.11Å; I840-Y846 HydrophobicContact CG2-CD2 4.5Å; I840-Y846 HydrophobicContact CG2-CG 4.5Å; Q843-Y846 HydrophobicContact CB-CD2 3.94Å; Q843-Y846 CarbonylContact O-C 3.33Å; Q843-Y846 PolarHBondContact O-N 2.93Å; Q843-Y846 VanDerWaalsContact OE1-CE2 3.25Å; Q844-Y846 VanDerWaalsContact C-N 3.32Å; Q844-Y846 PolarHBondContact O-N 3.39Å; Y846-Y911 WeakPolarHBondContact O-CE1 3.35Å; Y846-Y911 PolarHBondContact O-OH 3.47Å
847N81.2Confident78.8Confident44 Ų4473.4 Ų73.424%0.23534%0.342CS..  trans-69.6167.4-178.273.833.2000110.9Q843 Q844 Q849 E850 L851Q843-N847 PolarHBondContact O-N 2.9Å; Q844-N847 PolarHBondContact O-ND2 2.92Å; N847-Q849 PolarHBondContact O-N 2.8Å; N847-Q849 VanDerWaalsContact O-N 3.17Å; N847-Q849 WeakPolarHBondContact OD1-CA 3.46Å; N847-Q849 WeakPolarHBondContact OD1-CB 3.22Å; N847-Q849 PolarHBondContact OD1-N 3.34Å; N847-E850 PolarHBondContact O-N 3.49Å; N847-E850 PolarHBondContact OD1-N 3.08Å; N847-L851 PolarHBondContact O-N 3.31Å
848R78.5Confident79Confident81 Ų8173.7 Ų73.731%0.30634%0.339SS..Hα-helixtrans-60-26.2-179.7-64.1-178.9-170.8-175.32114.2R852 Y911R848-R852 PolarHBondContact O-N 3.38Å; R848-R852 PolarHBondContact O-NE 3.48Å; R848-Y911 HydrophobicContact CG-CD1 3.99Å; R848-Y911 HydrophobicContact CG-CE1 4.39Å
849Q79.5Confident79.2Confident143 Ų14373.1 Ų73.167%0.66834%0.337SS*.Hα-helixtrans-77.2-40.7178.7-64.9179.2-0.800110.7N847 R852 R853N847-Q849 PolarHBondContact O-N 2.8Å; N847-Q849 VanDerWaalsContact O-N 3.17Å; N847-Q849 WeakPolarHBondContact OD1-CA 3.46Å; N847-Q849 WeakPolarHBondContact OD1-CB 3.22Å; N847-Q849 PolarHBondContact OD1-N 3.34Å; Q849-R852 PolarHBondContact O-N 2.89Å; Q849-R853 WeakPolarHBondContact O-CB 3.17Å; Q849-R853 PolarHBondContact O-N 2.99Å
850E79.7Confident79.1Confident57 Ų5772.6 Ų72.627%0.26633%0.334SS..Hα-helixtrans-69.1-38.6177.1-165.959.3-155.900111.2F823 N847 R852 R853 I854F823-E850 HydrophobicContact CE2-CG 4.17Å; N847-E850 PolarHBondContact O-N 3.49Å; N847-E850 PolarHBondContact OD1-N 3.08Å; E850-R852 VanDerWaalsContact C-N 3.34Å; E850-R852 PolarHBondContact O-N 3.33Å; E850-R853 WeakPolarHBondContact O-CB 3.08Å; E850-R853 PolarHBondContact O-N 3.19Å; E850-R853 IonicContact OE1-CZ 3.14Å; E850-R853 IonicContact OE1-NE 3.02Å; E850-R853 PolarHBondContact OE1-NE 3.36Å; E850-R853 IonicContact OE1-NH2 3.55Å; E850-R853 WeakPolarHBondContact OE2-CD 3.39Å; E850-R853 IonicContact OE2-NE 3.47Å; E850-R853 PolarHBondContact OE2-NE 2.92Å; E850-I854 HydrophobicContact CG-CD1 3.96Å; E850-I854 HydrophobicContact CG-CG1 4.48Å; E850-I854 WeakPolarHBondContact O-CB 3.47Å; E850-I854 VanDerWaalsContact O-CG1 3.32Å; E850-I854 WeakPolarHBondContact O-CG1 3.45Å; E850-I854 PolarHBondContact O-N 2.88Å
851L79.4Confident79.3Confident1 Ų176 Ų761%0.00536%0.362CS..Hα-helixtrans-55.2-50.2169.6176.771.4000110.9F823 F824 N847 R853 I854 V855 I907 Y911 A916F823-L851 HydrophobicContact CE1-CB 4.34Å; F823-L851 HydrophobicContact CE1-CD1 3.63Å; F823-L851 HydrophobicContact CZ-CB 4.12Å; F823-L851 HydrophobicContact CZ-CD1 4.28Å; F824-L851 HydrophobicContact CE1-CD1 4.26Å; F824-L851 HydrophobicContact CZ-CD1 3.93Å; N847-L851 PolarHBondContact O-N 3.31Å; L851-R853 VanDerWaalsContact C-N 3.34Å; L851-R853 PolarHBondContact O-N 3.38Å; L851-I854 PolarHBondContact O-N 3.27Å; L851-V855 HydrophobicContact CD1-CG2 4.17Å; L851-V855 HydrophobicContact CG-CG2 4.43Å; L851-V855 VanDerWaalsContact O-CG2 3.32Å; L851-V855 WeakPolarHBondContact O-CG2 3.26Å; L851-V855 PolarHBondContact O-N 3.46Å; L851-I907 HydrophobicContact CD1-CG1 4.21Å; L851-I907 HydrophobicContact CD2-CG2 4.43Å; L851-Y911 HydrophobicContact CD1-CE2 4.44Å; L851-Y911 HydrophobicContact CD2-CD1 4.03Å; L851-Y911 HydrophobicContact CD2-CD2 3.75Å; L851-Y911 HydrophobicContact CD2-CE1 4.26Å; L851-Y911 HydrophobicContact CD2-CE2 4Å; L851-Y911 HydrophobicContact CD2-CG 3.75Å; L851-A916 HydrophobicContact CD2-CB 4.04Å
852R79.2Confident79.7Confident122 Ų12278.7 Ų78.746%0.4638%0.375SS..Hα-helixtrans-59.3-45.6177.7-106.8176.9-79.1162.7-10.2111.7R848 Q849 E850 I854 V855 E856R848-R852 PolarHBondContact O-N 3.38Å; R848-R852 PolarHBondContact O-NE 3.48Å; Q849-R852 PolarHBondContact O-N 2.89Å; E850-R852 VanDerWaalsContact C-N 3.34Å; E850-R852 PolarHBondContact O-N 3.33Å; R852-I854 VanDerWaalsContact C-N 3.29Å; R852-I854 PolarHBondContact O-N 3.28Å; R852-V855 PolarHBondContact O-N 3.32Å; R852-E856 VanDerWaalsContact O-CB 3.29Å; R852-E856 WeakPolarHBondContact O-CB 3.26Å; R852-E856 VanDerWaalsContact O-CG 3.24Å; R852-E856 WeakPolarHBondContact O-CG 3.43Å; R852-E856 PolarHBondContact O-N 3.15Å
853R81.8Confident79.9Confident134 Ų13470.1 Ų70.151%0.50634%0.342SS..Hα-helixtrans-58.5-40.5177.8-162.3-172.797.988.9-2.1112.4Q849 E850 L851 L857Q849-R853 WeakPolarHBondContact O-CB 3.17Å; Q849-R853 PolarHBondContact O-N 2.99Å; E850-R853 WeakPolarHBondContact O-CB 3.08Å; E850-R853 PolarHBondContact O-N 3.19Å; E850-R853 IonicContact OE1-CZ 3.14Å; E850-R853 IonicContact OE1-NE 3.02Å; E850-R853 PolarHBondContact OE1-NE 3.36Å; E850-R853 IonicContact OE1-NH2 3.55Å; E850-R853 WeakPolarHBondContact OE2-CD 3.39Å; E850-R853 IonicContact OE2-NE 3.47Å; E850-R853 PolarHBondContact OE2-NE 2.92Å; L851-R853 VanDerWaalsContact C-N 3.34Å; L851-R853 PolarHBondContact O-N 3.38Å; R853-L857 WeakPolarHBondContact O-CD1 3.44Å; R853-L857 WeakPolarHBondContact O-CG 3.47Å; R853-L857 PolarHBondContact O-N 3.19Å
854I80.5Confident80.2Confident13 Ų1372.6 Ų72.67%0.06735%0.348CS..Hα-helixtrans-75.9-39.3-179.9-67.7170.2000111.4L820 F823 E850 L851 R852 L857 Y858L820-I854 HydrophobicContact CD1-CG2 3.66Å; F823-I854 HydrophobicContact CB-CD1 3.83Å; F823-I854 HydrophobicContact CD1-CD1 4.23Å; F823-I854 HydrophobicContact CD2-CD1 3.15Å; F823-I854 HydrophobicContact CE2-CD1 3.63Å; F823-I854 HydrophobicContact CG-CD1 3.48Å; F823-I854 VanDerWaalsContact CG-CD1 3.48Å; F823-I854 HydrophobicContact CZ-CD1 4.36Å; E850-I854 HydrophobicContact CG-CD1 3.96Å; E850-I854 HydrophobicContact CG-CG1 4.48Å; E850-I854 WeakPolarHBondContact O-CB 3.47Å; E850-I854 VanDerWaalsContact O-CG1 3.32Å; E850-I854 WeakPolarHBondContact O-CG1 3.45Å; E850-I854 PolarHBondContact O-N 2.88Å; L851-I854 PolarHBondContact O-N 3.27Å; R852-I854 VanDerWaalsContact C-N 3.29Å; R852-I854 PolarHBondContact O-N 3.28Å; I854-L857 WeakPolarHBondContact O-CB 3.38Å; I854-L857 PolarHBondContact O-N 2.92Å; I854-Y858 WeakPolarHBondContact O-CD2 3.49Å
855V80.4Confident80.5Confident19 Ų1971.6 Ų71.612%0.11534%0.341CS..Hα-helixtrans-67.3-40.7175.81740000111L851 R852 L857 Y858L851-V855 HydrophobicContact CD1-CG2 4.17Å; L851-V855 HydrophobicContact CG-CG2 4.43Å; L851-V855 VanDerWaalsContact O-CG2 3.32Å; L851-V855 WeakPolarHBondContact O-CG2 3.26Å; L851-V855 PolarHBondContact O-N 3.46Å; R852-V855 PolarHBondContact O-N 3.32Å; V855-L857 PolarHBondContact O-N 3.05Å; V855-Y858 CarbonylContact O-C 3.55Å; V855-Y858 PolarHBondContact O-N 3.27Å
856E80.3Confident80.7Confident112 Ų11272.1 Ų72.152%0.52333%0.334SS..Hα-helixtrans-62.6-24.6176.1-77.1170.8-164.100113.2R852 Y858R852-E856 VanDerWaalsContact O-CB 3.29Å; R852-E856 WeakPolarHBondContact O-CB 3.26Å; R852-E856 VanDerWaalsContact O-CG 3.24Å; R852-E856 WeakPolarHBondContact O-CG 3.43Å; R852-E856 PolarHBondContact O-N 3.15Å; E856-Y858 VanDerWaalsContact C-N 3.29Å
857L79.6Confident80.8Confident72 Ų7270 Ų7038%0.37733%0.326SS..THydrogen-bonded Turntrans-72.6-19.9174.9-80.8162.1000113.4R853 I854 V855R853-L857 WeakPolarHBondContact O-CD1 3.44Å; R853-L857 WeakPolarHBondContact O-CG 3.47Å; R853-L857 PolarHBondContact O-N 3.19Å; I854-L857 WeakPolarHBondContact O-CB 3.38Å; I854-L857 PolarHBondContact O-N 2.92Å; V855-L857 PolarHBondContact O-N 3.05Å
858Y79.3Confident81Confident33 Ų3369.9 Ų69.913%0.12933%0.325CS..SBendtrans-122.362.4-175.4-65.6-76.2000110.9L817 K819 L820 I854 V855 E856 F920L817-Y858 HydrophobicContact CD2-CD1 3.48Å; L817-Y858 VanDerWaalsContact CD2-CD1 3.48Å; L817-Y858 HydrophobicContact CD2-CE1 3.68Å; L817-Y858 HydrophobicContact CD2-CG 4.19Å; K819-Y858 HydrophobicContact CB-CE2 4.21Å; K819-Y858 WeakPolarHBondContact CB-OH 3.24Å; K819-Y858 PolarHBondContact N-OH 2.95Å; L820-Y858 HydrophobicContact CB-CD2 4Å; L820-Y858 HydrophobicContact CB-CE2 3.74Å; L820-Y858 HydrophobicContact CD1-CD2 4.23Å; I854-Y858 WeakPolarHBondContact O-CD2 3.49Å; V855-Y858 CarbonylContact O-C 3.55Å; V855-Y858 PolarHBondContact O-N 3.27Å; E856-Y858 VanDerWaalsContact C-N 3.29Å; Y858-F920 WeakPolarHBondContact O-CE1 3.44Å
859Q80.1Confident81.3Confident94 Ų9467.9 Ų67.944%0.43933%0.326SS..  trans-68.8165.8172.1-64.7-175.1-3.300111.2A861 D862 V863Q859-A861 PolarHBondContact O-N 2.85Å; Q859-D862 PolarHBondContact O-N 3.09Å; Q859-V863 WeakPolarHBondContact O-CG2 3.37Å; Q859-V863 PolarHBondContact O-N 3.03Å
860L77.6Confident81.6Confident67 Ų6761.3 Ų61.335%0.35130%0.295SS..Hα-helixtrans-52.4-34.8-178.8-177.662.7000113.1R864 F920 D924L860-R864 VanDerWaalsContact O-CB 3.28Å; L860-R864 WeakPolarHBondContact O-CB 3.29Å; L860-R864 PolarHBondContact O-N 3.37Å; L860-F920 HydrophobicContact CB-CB 4.34Å; L860-F920 HydrophobicContact CD1-CB 3.9Å; L860-F920 HydrophobicContact CD1-CG 4.38Å; L860-D924 HydrophobicContact CD1-CB 4.03Å; L860-D924 HydrophobicContact CD2-CB 4.38Å
861A80.3Confident81.8Confident72 Ų7259.3 Ų59.360%0.59529%0.285SS*.Hα-helixtrans-66.6-42.5177.100000112.7Q859 R864 K865Q859-A861 PolarHBondContact O-N 2.85Å; A861-R864 PolarHBondContact O-N 3.34Å; A861-K865 PolarHBondContact O-N 3.02Å; A861-K865 VanDerWaalsContact O-N 3.07Å
862D82.9Confident82Confident68 Ų6866.8 Ų66.836%0.36431%0.313SS..Hα-helixtrans-71.2-41.8178.2-59.5-63.7000111.1Q859 R864 K865 E866Q859-D862 PolarHBondContact O-N 3.09Å; D862-R864 VanDerWaalsContact C-N 3.31Å; D862-R864 PolarHBondContact O-N 2.94Å; D862-K865 WeakPolarHBondContact O-CB 3.37Å; D862-K865 PolarHBondContact O-N 3.32Å; D862-K865 VanDerWaalsContact O-N 3.09Å; D862-E866 PolarHBondContact O-N 3.31Å
863V82.9Confident82.1Confident1 Ų164.4 Ų64.41%0.00631%0.309CS..Hα-helixtrans-59.6-43.3173.3174.20000110.8Q859 K865 E866 I867 F896 F920 L925Q859-V863 WeakPolarHBondContact O-CG2 3.37Å; Q859-V863 PolarHBondContact O-N 3.03Å; V863-K865 VanDerWaalsContact C-N 3.29Å; V863-K865 PolarHBondContact O-N 2.91Å; V863-E866 PolarHBondContact O-N 3.09Å; V863-I867 HydrophobicContact CG1-CD1 3.74Å; V863-I867 HydrophobicContact CG1-CG1 4.32Å; V863-I867 VanDerWaalsContact O-CG1 3.24Å; V863-I867 WeakPolarHBondContact O-CG1 3.49Å; V863-I867 PolarHBondContact O-N 3.39Å; V863-F896 HydrophobicContact CG1-CE1 4.32Å; V863-F896 HydrophobicContact CG1-CZ 3.83Å; V863-F920 HydrophobicContact CG2-CE1 3.86Å; V863-F920 HydrophobicContact CG2-CZ 3.9Å; V863-L925 HydrophobicContact CG1-CD2 3.74Å
864R82.6Confident82.1Confident115 Ų11558 Ų5843%0.43429%0.285SS..Hα-helixtrans-62.1-37.3175.4-172.4177.9-175.6-170.53.3112.1L860 A861 D862 N868L860-R864 VanDerWaalsContact O-CB 3.28Å; L860-R864 WeakPolarHBondContact O-CB 3.29Å; L860-R864 PolarHBondContact O-N 3.37Å; A861-R864 PolarHBondContact O-N 3.34Å; D862-R864 VanDerWaalsContact C-N 3.31Å; D862-R864 PolarHBondContact O-N 2.94Å; R864-N868 WeakPolarHBondContact O-CB 3.3Å; R864-N868 PolarHBondContact O-N 3.07Å
865K83.9Confident82.1Confident155 Ų15561.7 Ų61.767%0.67430%0.302SS*.Hα-helixtrans-67-43176.9-172.1-178.1175.7-172.80111.6A861 D862 V863 N868 A869A861-K865 PolarHBondContact O-N 3.02Å; A861-K865 VanDerWaalsContact O-N 3.07Å; D862-K865 WeakPolarHBondContact O-CB 3.37Å; D862-K865 PolarHBondContact O-N 3.32Å; D862-K865 VanDerWaalsContact O-N 3.09Å; V863-K865 VanDerWaalsContact C-N 3.29Å; V863-K865 PolarHBondContact O-N 2.91Å; K865-N868 PolarHBondContact O-N 2.9Å; K865-A869 PolarHBondContact O-N 3.19Å
866E83Confident82Confident68 Ų6865.1 Ų65.132%0.31833%0.327SS..Hα-helixtrans-62.5-47.2173.9-75-65.814000111.7L817 D862 V863 N868 A869 L870L817-E866 HydrophobicContact CD2-CG 4.4Å; D862-E866 PolarHBondContact O-N 3.31Å; V863-E866 PolarHBondContact O-N 3.09Å; E866-N868 VanDerWaalsContact C-N 3.28Å; E866-N868 PolarHBondContact O-N 3.2Å; E866-A869 WeakPolarHBondContact O-CB 3.41Å; E866-A869 PolarHBondContact O-N 3.3Å; E866-A869 VanDerWaalsContact O-N 3.09Å; E866-L870 WeakPolarHBondContact O-CG 3.48Å; E866-L870 PolarHBondContact O-N 3.22Å
867I85.1Confident81.9Confident0 Ų062.5 Ų62.50%031%0.314CS..Hα-helixtrans-60.8-39.2177.1-63.7167000110.7V863 L870 Y871 W889 F896 L925 C928 F929 I932V863-I867 HydrophobicContact CG1-CD1 3.74Å; V863-I867 HydrophobicContact CG1-CG1 4.32Å; V863-I867 VanDerWaalsContact O-CG1 3.24Å; V863-I867 WeakPolarHBondContact O-CG1 3.49Å; V863-I867 PolarHBondContact O-N 3.39Å; I867-L870 WeakPolarHBondContact O-CB 3.37Å; I867-L870 PolarHBondContact O-N 2.93Å; I867-Y871 PolarHBondContact O-N 2.64Å; I867-W889 HydrophobicContact CG2-CH2 3.58Å; I867-W889 HydrophobicContact CG2-CZ2 3.79Å; I867-W889 WeakPolarHBondContact O-CH2 3.5Å; I867-F896 HydrophobicContact CD1-CZ 4.28Å; I867-F896 HydrophobicContact CG1-CE2 4.19Å; I867-F896 HydrophobicContact CG1-CZ 4.33Å; I867-L925 HydrophobicContact CD1-CD2 4.26Å; I867-C928 HydrophobicContact CD1-CB 4.3Å; I867-F929 HydrophobicContact CD1-CD2 4.26Å; I867-F929 HydrophobicContact CD1-CE2 3.77Å; I867-F929 HydrophobicContact CD1-CZ 4.13Å; I867-F929 HydrophobicContact CG1-CE2 4.33Å; I867-F929 HydrophobicContact CG1-CZ 4.19Å; I867-F929 HydrophobicContact CG2-CD1 4.09Å; I867-F929 HydrophobicContact CG2-CE1 3.84Å; I867-F929 HydrophobicContact CG2-CE2 4.42Å; I867-F929 HydrophobicContact CG2-CG 4.47Å; I867-F929 HydrophobicContact CG2-CZ 4Å; I867-I932 HydrophobicContact CB-CD1 3.99Å; I867-I932 HydrophobicContact CG2-CD1 3.45Å; I867-I932 VanDerWaalsContact CG2-CD1 3.45Å
868N84.4Confident81.6Confident40 Ų4059.5 Ų59.521%0.21430%0.299CS..Hα-helixtrans-67.2-38.2175.7-162.6-15.5000111.9R864 K865 E866 Y871 R872 I932R864-N868 WeakPolarHBondContact O-CB 3.3Å; R864-N868 PolarHBondContact O-N 3.07Å; K865-N868 PolarHBondContact O-N 2.9Å; E866-N868 VanDerWaalsContact C-N 3.28Å; E866-N868 PolarHBondContact O-N 3.2Å; N868-Y871 PolarHBondContact O-N 3.33Å; N868-R872 WeakPolarHBondContact O-CG 3.24Å; N868-R872 PolarHBondContact O-N 2.81Å; N868-I932 HydrophobicContact CB-CD1 4.18Å
869A85.2Confident81.1Confident40 Ų4059 Ų5933%0.33130%0.3SS..Hα-helixtrans-62.3-43.4172.700000111.7K865 E866 Y871 R872 I873K865-A869 PolarHBondContact O-N 3.19Å; E866-A869 WeakPolarHBondContact O-CB 3.41Å; E866-A869 PolarHBondContact O-N 3.3Å; E866-A869 VanDerWaalsContact O-N 3.09Å; A869-Y871 PolarHBondContact O-N 2.87Å; A869-R872 PolarHBondContact O-N 3.32Å; A869-I873 VanDerWaalsContact O-CG1 3.3Å; A869-I873 WeakPolarHBondContact O-CG1 3.38Å; A869-I873 PolarHBondContact O-N 2.66Å
870L85.5Confident80.2Confident5 Ų560 Ų603%0.02631%0.305CS..Hα-helixtrans-58.4-47174-71.1-176.4000111.9I812 E866 I867 R872 I873 I874 W889I812-L870 HydrophobicContact CG2-CD2 3.47Å; I812-L870 VanDerWaalsContact CG2-CD2 3.47Å; E866-L870 WeakPolarHBondContact O-CG 3.48Å; E866-L870 PolarHBondContact O-N 3.22Å; I867-L870 WeakPolarHBondContact O-CB 3.37Å; I867-L870 PolarHBondContact O-N 2.93Å; L870-R872 VanDerWaalsContact C-N 3.33Å; L870-R872 PolarHBondContact O-N 2.88Å; L870-I873 PolarHBondContact O-N 2.84Å; L870-I874 WeakPolarHBondContact O-CD1 3.28Å; L870-I874 VanDerWaalsContact O-CG1 3.24Å; L870-I874 WeakPolarHBondContact O-CG1 3.41Å; L870-I874 PolarHBondContact O-N 2.74Å; L870-W889 HydrophobicContact CB-CZ3 4.43Å
871Y84.1Confident79.3Confident14 Ų1459.7 Ų59.76%0.05530%0.301CS..Hα-helixtrans-57-47.1177.1-170.5-89.6000111.5I867 N868 A869 I873 I874 E875 W889 I932 H936I867-Y871 PolarHBondContact O-N 2.64Å; N868-Y871 PolarHBondContact O-N 3.33Å; A869-Y871 PolarHBondContact O-N 2.87Å; Y871-I873 VanDerWaalsContact C-N 3.35Å; Y871-I873 PolarHBondContact O-N 2.92Å; Y871-I874 PolarHBondContact O-N 3.46Å; Y871-E875 HydrophobicContact CE1-CB 4.36Å; Y871-E875 VanDerWaalsContact O-CB 3.3Å; Y871-E875 WeakPolarHBondContact O-CB 3.49Å; Y871-E875 PolarHBondContact O-N 3.37Å; Y871-W889 AromaticContact CD2-CD2 3.71Å; Y871-W889 HydrophobicContact CD2-CD2 3.71Å; Y871-W889 AromaticContact CD2-CE2 3.66Å; Y871-W889 AromaticContact CD2-CE3 3.77Å; Y871-W889 HydrophobicContact CD2-CE3 3.77Å; Y871-W889 HydrophobicContact CD2-CG 4.42Å; Y871-W889 AromaticContact CD2-CH2 3.81Å; Y871-W889 HydrophobicContact CD2-CH2 3.81Å; Y871-W889 AromaticContact CD2-CZ2 3.72Å; Y871-W889 HydrophobicContact CD2-CZ2 3.72Å; Y871-W889 AromaticContact CD2-CZ3 3.84Å; Y871-W889 HydrophobicContact CD2-CZ3 3.84Å; Y871-W889 HydrophobicContact CE2-CD2 4.19Å; Y871-W889 HydrophobicContact CE2-CG 4.45Å; Y871-W889 HydrophobicContact CG-CH2 4.23Å; Y871-W889 HydrophobicContact CG-CZ2 4.44Å; Y871-W889 HydrophobicContact CG-CZ3 4.33Å; Y871-I932 HydrophobicContact CD1-CG2 4.21Å; Y871-I932 HydrophobicContact CD2-CG2 3.73Å; Y871-I932 HydrophobicContact CE2-CG2 4.33Å; Y871-I932 HydrophobicContact CG-CG2 3.65Å; Y871-H936 HydrophobicContact CE1-CB 3.7Å; Y871-H936 AromaticContact CE1-CD2 3.68Å; Y871-H936 AromaticContact CE1-CE1 3.93Å; Y871-H936 AromaticContact CE1-CG 3.41Å; Y871-H936 VanDerWaalsContact CE1-CG 3.41Å; Y871-H936 AromaticContact CE1-ND1 3.58Å; Y871-H936 AromaticContact CZ-CG 3.96Å; Y871-H936 WeakPolarHBondContact OH-CB 3.4Å
872R82.8Confident78.2Confident158 Ų15863.5 Ų63.560%0.59631%0.305SS*.Hα-helixtrans-63.8-36.8178.4-70.6178.6-177.7-172.1-2.1113.2N868 A869 L870 S876N868-R872 WeakPolarHBondContact O-CG 3.24Å; N868-R872 PolarHBondContact O-N 2.81Å; A869-R872 PolarHBondContact O-N 3.32Å; L870-R872 VanDerWaalsContact C-N 3.33Å; L870-R872 PolarHBondContact O-N 2.88Å; R872-S876 VanDerWaalsContact O-CB 3.23Å; R872-S876 WeakPolarHBondContact O-CB 3.28Å; R872-S876 PolarHBondContact O-N 2.92Å
873I82.5Confident77.6Confident73 Ų7366.7 Ų66.737%0.37432%0.317SS..Hα-helixtrans-63.8-48.3175.2-69.3164.8000109.7A869 L870 Y871 S876 Q877A869-I873 VanDerWaalsContact O-CG1 3.3Å; A869-I873 WeakPolarHBondContact O-CG1 3.38Å; A869-I873 PolarHBondContact O-N 2.66Å; L870-I873 PolarHBondContact O-N 2.84Å; Y871-I873 VanDerWaalsContact C-N 3.35Å; Y871-I873 PolarHBondContact O-N 2.92Å; I873-S876 PolarHBondContact O-N 3.49Å; I873-Q877 HydrophobicContact CG2-CG 4.34Å; I873-Q877 WeakPolarHBondContact O-CB 3.42Å; I873-Q877 VanDerWaalsContact O-CG 3.29Å; I873-Q877 WeakPolarHBondContact O-CG 3.36Å; I873-Q877 PolarHBondContact O-N 2.83Å
874I82.1Confident77.3Confident0 Ų066.6 Ų66.60%032%0.317CS..Hα-helixtrans-63-47.3180-64.1162.8000110.5I812 L870 Y871 S876 Q877 L878 L885 V888 W889 V892I812-I874 HydrophobicContact CD1-CD1 4.26Å; I812-I874 HydrophobicContact CD1-CG1 3.65Å; L870-I874 WeakPolarHBondContact O-CD1 3.28Å; L870-I874 VanDerWaalsContact O-CG1 3.24Å; L870-I874 WeakPolarHBondContact O-CG1 3.41Å; L870-I874 PolarHBondContact O-N 2.74Å; Y871-I874 PolarHBondContact O-N 3.46Å; I874-S876 VanDerWaalsContact C-N 3.28Å; I874-S876 PolarHBondContact O-N 3.29Å; I874-Q877 PolarHBondContact O-N 3.19Å; I874-L878 HydrophobicContact CG2-CD1 3.44Å; I874-L878 VanDerWaalsContact CG2-CD1 3.44Å; I874-L878 HydrophobicContact CG2-CG 4.14Å; I874-L878 WeakPolarHBondContact O-CB 3.41Å; I874-L878 WeakPolarHBondContact O-CG 3.35Å; I874-L878 PolarHBondContact O-N 2.92Å; I874-L885 HydrophobicContact CB-CD1 4.36Å; I874-L885 HydrophobicContact CG2-CD1 3.47Å; I874-L885 VanDerWaalsContact CG2-CD1 3.47Å; I874-V888 HydrophobicContact CG2-CG1 3.95Å; I874-W889 HydrophobicContact CD1-CE3 3.69Å; I874-W889 HydrophobicContact CD1-CZ3 3.76Å; I874-V892 HydrophobicContact CD1-CG2 3.87Å
875E80.5Confident77.2Confident89 Ų8962.7 Ų62.742%0.41630%0.304SS..Hα-helixtrans-60.3-36.3177.2-172.9-179.8-148.400112Y871 H936Y871-E875 HydrophobicContact CE1-CB 4.36Å; Y871-E875 VanDerWaalsContact O-CB 3.3Å; Y871-E875 WeakPolarHBondContact O-CB 3.49Å; Y871-E875 PolarHBondContact O-N 3.37Å; E875-H936 IonicContact OE1-ND1 3.88Å; E875-H936 PolarHBondContact OE1-ND1 3.25Å; E875-H936 IonicContact OE2-CE1 2.64Å; E875-H936 IonicContact OE2-ND1 3.09Å
876S78Confident77.1Confident91 Ų9162 Ų6264%0.63630%0.303SS*.Hα-helixtrans-76.2-33.1177.41790000113.7R872 I873 I874R872-S876 VanDerWaalsContact O-CB 3.23Å; R872-S876 WeakPolarHBondContact O-CB 3.28Å; R872-S876 PolarHBondContact O-N 2.92Å; I873-S876 PolarHBondContact O-N 3.49Å; I874-S876 VanDerWaalsContact C-N 3.28Å; I874-S876 PolarHBondContact O-N 3.29Å
877Q77.4Confident77.2Confident57 Ų5761.2 Ų61.227%0.26630%0.303SS..Hα-helixtrans-84.6-41.7-174.3-76-179-8.500112.1V769 Y808 I873 I874V769-Q877 HydrophobicContact CG2-CB 4.35Å; Y808-Q877 VanDerWaalsContact CE2-OE1 3.31Å; Y808-Q877 PolarHBondContact OH-OE1 2.92Å; I873-Q877 HydrophobicContact CG2-CG 4.34Å; I873-Q877 WeakPolarHBondContact O-CB 3.42Å; I873-Q877 VanDerWaalsContact O-CG 3.29Å; I873-Q877 WeakPolarHBondContact O-CG 3.36Å; I873-Q877 PolarHBondContact O-N 2.83Å; I874-Q877 PolarHBondContact O-N 3.19Å
878L73.9Confident77.2Confident10 Ų1061.2 Ų61.25%0.05230%0.303CS..SBendtrans-72.2153.3177.3-64.7175.5000111.6V769 L772 E773 Y808 I874 L884 L885 V888V769-L878 HydrophobicContact CG1-CD2 4.4Å; L772-L878 HydrophobicContact CD2-CD2 4.19Å; E773-L878 HydrophobicContact CG-CD2 4.3Å; E773-L878 WeakPolarHBondContact OE1-CA 3.38Å; Y808-L878 HydrophobicContact CE1-CD2 4.24Å; I874-L878 HydrophobicContact CG2-CD1 3.44Å; I874-L878 VanDerWaalsContact CG2-CD1 3.44Å; I874-L878 HydrophobicContact CG2-CG 4.14Å; I874-L878 WeakPolarHBondContact O-CB 3.41Å; I874-L878 WeakPolarHBondContact O-CG 3.35Å; I874-L878 PolarHBondContact O-N 2.92Å; L878-L884 HydrophobicContact CD2-CD2 4.08Å; L878-L885 HydrophobicContact CD1-CB 4.44Å; L878-L885 HydrophobicContact CD1-CD1 4.14Å; L878-V888 HydrophobicContact CD1-CB 4.23Å; L878-V888 HydrophobicContact CD1-CG1 4.46Å; L878-V888 HydrophobicContact CD1-CG2 4.05Å
879S67.4Low77.3Confident21 Ų2160 Ų6015%0.14730%0.295CS..  trans-73161.7167.659.50000110.4E773 E881E773-S879 VanDerWaalsContact CD-OG 3.26Å; E773-S879 WeakPolarHBondContact OE1-CB 3.49Å; E773-S879 PolarHBondContact OE1-N 3.46Å; E773-S879 PolarHBondContact OE1-OG 3.41Å; S879-E881 PolarHBondContact O-N 3.36Å
880E61.7Low77.4Confident116 Ų11666.2 Ų66.254%0.54231%0.31SS..SBendtrans-66.317.4-172.2-65.4177.8169.100115.3R507 K882R507-E880 VanDerWaalsContact CA-OE2 3.24Å; R507-E880 WeakPolarHBondContact CA-OE2 3.37Å; R507-E880 VanDerWaalsContact CD-OE1 3.3Å; R507-E880 WeakPolarHBondContact CD-OE1 3.44Å; R507-E880 VanDerWaalsContact CG-OE1 3.28Å; R507-E880 WeakPolarHBondContact CG-OE1 3.29Å; R507-E880 WeakPolarHBondContact CG-OE2 3.21Å; R507-E880 IonicContact NE-OE1 3.62Å; E880-K882 PolarHBondContact O-N 3.05Å
881E59.5Low77.4Confident61 Ų6168.1 Ų68.129%0.28532%0.321SS..  trans-74.789.9175.9-156.7171.3-145.600110.2H776 S879 H883 L884 L885H776-E881 IonicContact CD2-OE2 3.71Å; S879-E881 PolarHBondContact O-N 3.36Å; E881-H883 PolarHBondContact O-N 3.06Å; E881-L884 HydrophobicContact CB-CB 4.43Å; E881-L884 PolarHBondContact O-N 3.21Å; E881-L885 PolarHBondContact O-N 2.87Å
882K56.5Low77.5Confident152 Ų15267.5 Ų67.566%0.66132%0.318SS*.Hα-helixtrans-47.9-34-173.9-64.9-168.3175.9-161.10114.7E880 Q886E880-K882 PolarHBondContact O-N 3.05Å; K882-Q886 PolarHBondContact O-N 3.09Å
883H69.6Low77.7Confident134 Ų13462.1 Ų62.162%0.6230%0.3SS*.Hα-helixtrans-72.3-35.2-178.7-51.5-53000112.3E881 Q886 V887E881-H883 PolarHBondContact O-N 3.06Å; H883-Q886 PolarHBondContact O-N 2.92Å; H883-V887 VanDerWaalsContact O-CG2 3.29Å; H883-V887 WeakPolarHBondContact O-CG2 3.11Å; H883-V887 PolarHBondContact O-N 2.96Å
884L78.1Confident78Confident0 Ų061.7 Ų61.70%030%0.298CS..Hα-helixtrans-69-42.1179.4-172.563.3000110.6L772 E773 H776 Y801 L878 E881 Q886 V887 V888L772-L884 HydrophobicContact CD1-CD1 4.48Å; E773-L884 HydrophobicContact CB-CD2 4.42Å; E773-L884 HydrophobicContact CG-CD2 3.84Å; H776-L884 HydrophobicContact CB-CD1 4.1Å; Y801-L884 HydrophobicContact CE2-CD1 4.31Å; L878-L884 HydrophobicContact CD2-CD2 4.08Å; E881-L884 HydrophobicContact CB-CB 4.43Å; E881-L884 PolarHBondContact O-N 3.21Å; L884-Q886 VanDerWaalsContact C-N 3.3Å; L884-Q886 PolarHBondContact O-N 3.19Å; L884-V887 PolarHBondContact O-N 3.34Å; L884-V887 VanDerWaalsContact O-N 3.14Å; L884-V888 HydrophobicContact CD1-CG2 4.32Å; L884-V888 HydrophobicContact CG-CG2 4.26Å; L884-V888 WeakPolarHBondContact O-CB 3.37Å; L884-V888 VanDerWaalsContact O-CG2 3.3Å; L884-V888 WeakPolarHBondContact O-CG2 3.46Å; L884-V888 PolarHBondContact O-N 3.43Å
885L80.2Confident78.1Confident32 Ų3263 Ų6317%0.16831%0.307CS..Hα-helixtrans-54.4-47.3173.8178.662.8000111.2I874 L878 E881 V887 V888 W889I874-L885 HydrophobicContact CB-CD1 4.36Å; I874-L885 HydrophobicContact CG2-CD1 3.47Å; I874-L885 VanDerWaalsContact CG2-CD1 3.47Å; L878-L885 HydrophobicContact CD1-CB 4.44Å; L878-L885 HydrophobicContact CD1-CD1 4.14Å; E881-L885 PolarHBondContact O-N 2.87Å; L885-V887 PolarHBondContact O-N 2.83Å; L885-V888 PolarHBondContact O-N 2.79Å; L885-W889 WeakPolarHBondContact O-CB 3.34Å; L885-W889 PolarHBondContact O-N 2.97Å
886Q82Confident78.3Confident140 Ų14059.1 Ų59.165%0.65429%0.289SS*.Hα-helixtrans-63.9-39.8178.7-169.1178.816.600112.6K882 H883 L884 R890K882-Q886 PolarHBondContact O-N 3.09Å; H883-Q886 PolarHBondContact O-N 2.92Å; L884-Q886 VanDerWaalsContact C-N 3.3Å; L884-Q886 PolarHBondContact O-N 3.19Å; Q886-R890 WeakPolarHBondContact O-CB 3.49Å; Q886-R890 PolarHBondContact O-N 3.19Å
887V84.8Confident78.7Confident53 Ų5355.8 Ų55.832%0.32126%0.264SS..Hα-helixtrans-67.6-46.5178.5172.60000111Y801 L805 H883 L884 L885 R890 N891Y801-V887 WeakPolarHBondContact OH-CG1 3.05Å; L805-V887 HydrophobicContact CD2-CG1 4.41Å; H883-V887 VanDerWaalsContact O-CG2 3.29Å; H883-V887 WeakPolarHBondContact O-CG2 3.11Å; H883-V887 PolarHBondContact O-N 2.96Å; L884-V887 PolarHBondContact O-N 3.34Å; L884-V887 VanDerWaalsContact O-N 3.14Å; L885-V887 PolarHBondContact O-N 2.83Å; V887-R890 PolarHBondContact O-N 3.19Å; V887-N891 PolarHBondContact O-N 3.42Å; V887-N891 VanDerWaalsContact O-N 3.15Å; V887-N891 PolarHBondContact O-ND2 2.89Å
888V85.5Confident79.1Confident0 Ų060.2 Ų60.20%028%0.278CS..Hα-helixtrans-61.4-47.3175.8173.40000109.9L772 L805 Y808 I874 L878 L884 L885 R890 N891 V892L772-V888 HydrophobicContact CD2-CG2 3.76Å; L805-V888 HydrophobicContact CD1-CB 4.44Å; L805-V888 HydrophobicContact CD1-CG2 3.7Å; Y808-V888 HydrophobicContact CD1-CG1 4.05Å; Y808-V888 HydrophobicContact CE1-CG1 3.85Å; I874-V888 HydrophobicContact CG2-CG1 3.95Å; L878-V888 HydrophobicContact CD1-CB 4.23Å; L878-V888 HydrophobicContact CD1-CG1 4.46Å; L878-V888 HydrophobicContact CD1-CG2 4.05Å; L884-V888 HydrophobicContact CD1-CG2 4.32Å; L884-V888 HydrophobicContact CG-CG2 4.26Å; L884-V888 WeakPolarHBondContact O-CB 3.37Å; L884-V888 VanDerWaalsContact O-CG2 3.3Å; L884-V888 WeakPolarHBondContact O-CG2 3.46Å; L884-V888 PolarHBondContact O-N 3.43Å; L885-V888 PolarHBondContact O-N 2.79Å; V888-R890 VanDerWaalsContact C-N 3.3Å; V888-R890 PolarHBondContact O-N 3.26Å; V888-N891 CarbonylContact O-C 3.55Å; V888-N891 WeakPolarHBondContact O-CA 3.43Å; V888-N891 PolarHBondContact O-N 3.49Å; V888-V892 HydrophobicContact CG1-CG2 4.19Å; V888-V892 WeakPolarHBondContact O-CG2 3.3Å; V888-V892 PolarHBondContact O-N 2.91Å
889W86.7Confident79.5Confident13 Ų1362 Ų625%0.04928%0.284CS..Hα-helixtrans-59-40.7-179.3-169.4-120.2000112.6I867 L870 Y871 I874 L885 V892 Q893 F929 I932I867-W889 HydrophobicContact CG2-CH2 3.58Å; I867-W889 HydrophobicContact CG2-CZ2 3.79Å; I867-W889 WeakPolarHBondContact O-CH2 3.5Å; L870-W889 HydrophobicContact CB-CZ3 4.43Å; Y871-W889 AromaticContact CD2-CD2 3.71Å; Y871-W889 HydrophobicContact CD2-CD2 3.71Å; Y871-W889 AromaticContact CD2-CE2 3.66Å; Y871-W889 AromaticContact CD2-CE3 3.77Å; Y871-W889 HydrophobicContact CD2-CE3 3.77Å; Y871-W889 HydrophobicContact CD2-CG 4.42Å; Y871-W889 AromaticContact CD2-CH2 3.81Å; Y871-W889 HydrophobicContact CD2-CH2 3.81Å; Y871-W889 AromaticContact CD2-CZ2 3.72Å; Y871-W889 HydrophobicContact CD2-CZ2 3.72Å; Y871-W889 AromaticContact CD2-CZ3 3.84Å; Y871-W889 HydrophobicContact CD2-CZ3 3.84Å; Y871-W889 HydrophobicContact CE2-CD2 4.19Å; Y871-W889 HydrophobicContact CE2-CG 4.45Å; Y871-W889 HydrophobicContact CG-CH2 4.23Å; Y871-W889 HydrophobicContact CG-CZ2 4.44Å; Y871-W889 HydrophobicContact CG-CZ3 4.33Å; I874-W889 HydrophobicContact CD1-CE3 3.69Å; I874-W889 HydrophobicContact CD1-CZ3 3.76Å; L885-W889 WeakPolarHBondContact O-CB 3.34Å; L885-W889 PolarHBondContact O-N 2.97Å; W889-V892 HydrophobicContact CE3-CB 4.47Å; W889-V892 HydrophobicContact CE3-CG1 4.47Å; W889-V892 HydrophobicContact CZ3-CG1 4.31Å; W889-V892 PolarHBondContact O-N 3.19Å; W889-Q893 WeakPolarHBondContact O-CB 3.31Å; W889-Q893 PolarHBondContact O-N 2.81Å; W889-F929 HydrophobicContact CD2-CD1 4.42Å; W889-F929 AromaticContact CE2-CD1 3.58Å; W889-F929 HydrophobicContact CH2-CD1 4.05Å; W889-F929 AromaticContact CH2-CE1 3.87Å; W889-F929 HydrophobicContact CH2-CE1 3.87Å; W889-F929 AromaticContact CZ2-CD1 3.38Å; W889-F929 HydrophobicContact CZ2-CD1 3.38Å; W889-F929 AromaticContact CZ2-CE1 3.7Å; W889-F929 HydrophobicContact CZ2-CE1 3.7Å; W889-F929 HydrophobicContact CZ2-CG 4.44Å; W889-F929 HydrophobicContact CZ3-CE1 4.42Å; W889-F929 AromaticContact NE1-CD1 3.83Å; W889-I932 HydrophobicContact CZ2-CB 4.49Å; W889-I932 HydrophobicContact CZ2-CG2 4.11Å
890R85.6Confident80.2Confident171 Ų17161.8 Ų61.865%0.64528%0.28SS*.Hα-helixtrans-63.2-40.7173.6-173.3175.8179.91682.4112.4Q886 V887 V888 Q893 D894Q886-R890 WeakPolarHBondContact O-CB 3.49Å; Q886-R890 PolarHBondContact O-N 3.19Å; V887-R890 PolarHBondContact O-N 3.19Å; V888-R890 VanDerWaalsContact C-N 3.3Å; V888-R890 PolarHBondContact O-N 3.26Å; R890-Q893 WeakPolarHBondContact O-CB 3.3Å; R890-Q893 PolarHBondContact O-N 2.85Å; R890-D894 WeakPolarHBondContact O-CB 3.49Å; R890-D894 VanDerWaalsContact O-CG 3.31Å; R890-D894 PolarHBondContact O-N 2.99Å
891N86.8Confident81.3Confident46 Ų4662 Ų6225%0.24628%0.28CS..Hα-helixtrans-69.3-36.1176.8-77-84.2000112.2V809 V887 V888 D894 S895V809-N891 HydrophobicContact CG2-CB 3.92Å; V887-N891 PolarHBondContact O-N 3.42Å; V887-N891 VanDerWaalsContact O-N 3.15Å; V887-N891 PolarHBondContact O-ND2 2.89Å; V888-N891 CarbonylContact O-C 3.55Å; V888-N891 WeakPolarHBondContact O-CA 3.43Å; V888-N891 PolarHBondContact O-N 3.49Å; N891-D894 PolarHBondContact O-N 3.23Å; N891-S895 VanDerWaalsContact O-CB 3.3Å; N891-S895 WeakPolarHBondContact O-CB 3.2Å; N891-S895 PolarHBondContact O-N 3.06Å; N891-S895 PolarHBondContact O-OG 3.36Å; N891-S895 VanDerWaalsContact O-OG 3.12Å
892V86.7Confident82.5Confident0 Ų063.8 Ų63.80%029%0.288CS..Hα-helixtrans-63-45.7172.41730000110.2V809 M813 I874 V888 W889 D894 S895 F896 F929V809-V892 HydrophobicContact CG1-CG2 4.18Å; V809-V892 HydrophobicContact CG2-CG2 4.04Å; M813-V892 HydrophobicContact SD-CG1 4.07Å; I874-V892 HydrophobicContact CD1-CG2 3.87Å; V888-V892 HydrophobicContact CG1-CG2 4.19Å; V888-V892 WeakPolarHBondContact O-CG2 3.3Å; V888-V892 PolarHBondContact O-N 2.91Å; W889-V892 HydrophobicContact CE3-CB 4.47Å; W889-V892 HydrophobicContact CE3-CG1 4.47Å; W889-V892 HydrophobicContact CZ3-CG1 4.31Å; W889-V892 PolarHBondContact O-N 3.19Å; V892-D894 PolarHBondContact O-N 3.35Å; V892-S895 PolarHBondContact O-N 3.13Å; V892-F896 VanDerWaalsContact O-CB 3.26Å; V892-F896 WeakPolarHBondContact O-CB 3.45Å; V892-F896 PolarHBondContact O-N 2.86Å; V892-F929 HydrophobicContact CG1-CE1 4.44Å
893Q87.2Confident83.8Confident46 Ų4656.7 Ų56.722%0.21526%0.257CS..Hα-helixtrans-57.4-49.2173.6177.7-174.5-1700111.6W889 R890 S895 F896 I897 F929W889-Q893 WeakPolarHBondContact O-CB 3.31Å; W889-Q893 PolarHBondContact O-N 2.81Å; R890-Q893 WeakPolarHBondContact O-CB 3.3Å; R890-Q893 PolarHBondContact O-N 2.85Å; Q893-S895 VanDerWaalsContact C-N 3.35Å; Q893-S895 PolarHBondContact O-N 2.91Å; Q893-F896 PolarHBondContact O-N 3.07Å; Q893-I897 HydrophobicContact CG-CD1 3.84Å; Q893-I897 WeakPolarHBondContact O-CB 3.35Å; Q893-I897 VanDerWaalsContact O-CG1 3.24Å; Q893-I897 WeakPolarHBondContact O-CG1 3.22Å; Q893-I897 PolarHBondContact O-N 3.44Å; Q893-F929 HydrophobicContact CB-CD1 3.72Å; Q893-F929 HydrophobicContact CB-CD2 4.44Å; Q893-F929 HydrophobicContact CB-CE1 3.82Å; Q893-F929 HydrophobicContact CB-CG 4.08Å; Q893-F929 HydrophobicContact CB-CZ 4.25Å; Q893-F929 HydrophobicContact CG-CB 4.27Å; Q893-F929 HydrophobicContact CG-CD1 4.02Å; Q893-F929 HydrophobicContact CG-CD2 3.98Å; Q893-F929 HydrophobicContact CG-CE1 4.39Å; Q893-F929 HydrophobicContact CG-CE2 4.36Å; Q893-F929 HydrophobicContact CG-CG 3.83Å
894D87Confident84.4Confident63 Ų6352.2 Ų52.234%0.33724%0.238SC..Hα-helixtrans-64.8-38.2-180-72.6-23.8000111.9R890 N891 V892 R898R890-D894 WeakPolarHBondContact O-CB 3.49Å; R890-D894 VanDerWaalsContact O-CG 3.31Å; R890-D894 PolarHBondContact O-N 2.99Å; N891-D894 PolarHBondContact O-N 3.23Å; V892-D894 PolarHBondContact O-N 3.35Å; D894-R898 WeakPolarHBondContact O-CB 3.47Å; D894-R898 VanDerWaalsContact O-CG 3.29Å; D894-R898 WeakPolarHBondContact O-CG 3.35Å; D894-R898 PolarHBondContact O-N 3.22Å; D894-R898 PolarHBondContact O-NE 3.24Å
895S84.7Confident84.6Confident28 Ų2854 Ų5420%0.19626%0.256CS..Hα-helixtrans-68.7-39174.2-70.10000112.3V809 N891 V892 Q893 R898 R899V809-S895 WeakPolarHBondContact CG1-OG 3.49Å; N891-S895 VanDerWaalsContact O-CB 3.3Å; N891-S895 WeakPolarHBondContact O-CB 3.2Å; N891-S895 PolarHBondContact O-N 3.06Å; N891-S895 PolarHBondContact O-OG 3.36Å; N891-S895 VanDerWaalsContact O-OG 3.12Å; V892-S895 PolarHBondContact O-N 3.13Å; Q893-S895 VanDerWaalsContact C-N 3.35Å; Q893-S895 PolarHBondContact O-N 2.91Å; S895-R898 PolarHBondContact O-N 2.98Å; S895-R898 PolarHBondContact OG-NH2 3.34Å; S895-R898 VanDerWaalsContact OG-NH2 3.08Å; S895-R899 WeakPolarHBondContact O-CB 3.28Å; S895-R899 PolarHBondContact O-N 3.3Å
896F85.4Confident84.7Confident7 Ų753.3 Ų53.33%0.03125%0.253CS..Hα-helixtrans-63.6-44.8174.5-163.4-77.4000111.3M813 L817 V863 I867 V892 Q893 R899 Y900 L925 F929M813-F896 HydrophobicContact CE-CB 4.05Å; M813-F896 HydrophobicContact CE-CD2 3.8Å; M813-F896 HydrophobicContact CE-CG 4.29Å; M813-F896 HydrophobicContact SD-CB 4.46Å; M813-F896 HydrophobicContact SD-CD2 4.28Å; L817-F896 HydrophobicContact CD1-CE2 3.71Å; L817-F896 HydrophobicContact CD1-CZ 3.67Å; L817-F896 HydrophobicContact CG-CE2 4.39Å; V863-F896 HydrophobicContact CG1-CE1 4.32Å; V863-F896 HydrophobicContact CG1-CZ 3.83Å; I867-F896 HydrophobicContact CD1-CZ 4.28Å; I867-F896 HydrophobicContact CG1-CE2 4.19Å; I867-F896 HydrophobicContact CG1-CZ 4.33Å; V892-F896 VanDerWaalsContact O-CB 3.26Å; V892-F896 WeakPolarHBondContact O-CB 3.45Å; V892-F896 PolarHBondContact O-N 2.86Å; Q893-F896 PolarHBondContact O-N 3.07Å; F896-R899 PolarHBondContact O-N 3.32Å; F896-Y900 WeakPolarHBondContact O-CB 3.35Å; F896-Y900 PolarHBondContact O-N 3.02Å; F896-L925 HydrophobicContact CD1-CD1 3.98Å; F896-L925 HydrophobicContact CD1-CD2 4.25Å; F896-L925 HydrophobicContact CE1-CD1 3.82Å; F896-L925 HydrophobicContact CE1-CD2 3.54Å; F896-L925 HydrophobicContact CE1-CG 4.3Å; F896-L925 HydrophobicContact CZ-CD2 4.34Å; F896-F929 HydrophobicContact CB-CE2 4.14Å; F896-F929 HydrophobicContact CB-CZ 3.81Å; F896-F929 HydrophobicContact CD1-CE2 4.03Å; F896-F929 HydrophobicContact CD1-CZ 4.36Å; F896-F929 HydrophobicContact CD2-CZ 4.25Å; F896-F929 HydrophobicContact CG-CE2 4.03Å; F896-F929 AromaticContact CG-CZ 3.89Å; F896-F929 HydrophobicContact CG-CZ 3.89Å
897I85.9Confident84.6Confident21 Ų2146.8 Ų46.811%0.10822%0.222CC..Hα-helixtrans-64.1-41.6175.9-67.6165.5000111Q893 Y900 K901 I922 L926Q893-I897 HydrophobicContact CG-CD1 3.84Å; Q893-I897 WeakPolarHBondContact O-CB 3.35Å; Q893-I897 VanDerWaalsContact O-CG1 3.24Å; Q893-I897 WeakPolarHBondContact O-CG1 3.22Å; Q893-I897 PolarHBondContact O-N 3.44Å; I897-Y900 PolarHBondContact O-N 2.82Å; I897-K901 HydrophobicContact CG2-CD 4.37Å; I897-K901 WeakPolarHBondContact O-CG 3.32Å; I897-K901 PolarHBondContact O-N 2.78Å; I897-I922 HydrophobicContact CG2-CG2 4.3Å; I897-L926 HydrophobicContact CD1-CD2 3.67Å
898R85.7Confident84.4Confident151 Ų15148.2 Ų48.257%0.5723%0.228SC*.Hα-helixtrans-61-44.7175.4-81.3-177.9-72.8-164.83.7111.6D894 S895 K901 Q902D894-R898 WeakPolarHBondContact O-CB 3.47Å; D894-R898 VanDerWaalsContact O-CG 3.29Å; D894-R898 WeakPolarHBondContact O-CG 3.35Å; D894-R898 PolarHBondContact O-N 3.22Å; D894-R898 PolarHBondContact O-NE 3.24Å; S895-R898 PolarHBondContact O-N 2.98Å; S895-R898 PolarHBondContact OG-NH2 3.34Å; S895-R898 VanDerWaalsContact OG-NH2 3.08Å; R898-K901 PolarHBondContact O-N 2.83Å; R898-Q902 PolarHBondContact O-N 3.33Å
899R81.8Confident84.1Confident46 Ų4652.5 Ų52.517%0.17425%0.251CS..Hα-helixtrans-66.4-41.2179-150.9165.8-170.2133.518.2111.7D814 K821 D825 S895 F896 K901 Q902 Y903D814-R899 IonicContact OD1-NH1 3.29Å; K821-R899 VanDerWaalsContact CG-NH2 3.3Å; D825-R899 IonicContact OD1-NH2 3.4Å; D825-R899 IonicContact OD2-NH2 2.58Å; S895-R899 WeakPolarHBondContact O-CB 3.28Å; S895-R899 PolarHBondContact O-N 3.3Å; F896-R899 PolarHBondContact O-N 3.32Å; R899-K901 PolarHBondContact O-N 3.12Å; R899-Q902 WeakPolarHBondContact O-CB 3.41Å; R899-Q902 PolarHBondContact O-N 3.27Å; R899-Y903 HydrophobicContact CG-CD2 4.47Å; R899-Y903 HydrophobicContact CG-CE1 4.14Å; R899-Y903 HydrophobicContact CG-CE2 3.75Å; R899-Y903 PolarHBondContact NE-OH 2.65Å; R899-Y903 WeakPolarHBondContact O-CD2 3.42Å; R899-Y903 VanDerWaalsContact O-CG 3.24Å; R899-Y903 PolarHBondContact O-N 3.22Å
900Y83.4Confident83.7Confident17 Ų1751.9 Ų51.97%0.06725%0.248CC..Hα-helixtrans-56.4-50.3170.6176.6-84.3000111.5F896 I897 Q902 Y903 D904 M918 F920 I922 L925F896-Y900 WeakPolarHBondContact O-CB 3.35Å; F896-Y900 PolarHBondContact O-N 3.02Å; I897-Y900 PolarHBondContact O-N 2.82Å; Y900-Q902 VanDerWaalsContact C-N 3.29Å; Y900-Q902 PolarHBondContact O-N 3.39Å; Y900-Y903 PolarHBondContact O-N 3.4Å; Y900-D904 HydrophobicContact CE1-CB 4.24Å; Y900-D904 WeakPolarHBondContact O-CB 3.25Å; Y900-D904 PolarHBondContact O-N 3.42Å; Y900-M918 HydrophobicContact CD2-CE 4.17Å; Y900-M918 HydrophobicContact CD2-CG 4.39Å; Y900-M918 HydrophobicContact CE2-CB 3.56Å; Y900-M918 HydrophobicContact CE2-CE 4.37Å; Y900-M918 HydrophobicContact CE2-CG 3.7Å; Y900-M918 HydrophobicContact CE2-SD 4.47Å; Y900-M918 WeakPolarHBondContact OH-CB 3.22Å; Y900-F920 HydrophobicContact CD2-CD2 4.32Å; Y900-F920 AromaticContact CD2-CE2 3.53Å; Y900-F920 HydrophobicContact CD2-CE2 3.53Å; Y900-F920 HydrophobicContact CD2-CZ 4.17Å; Y900-F920 AromaticContact CE2-CD2 3.81Å; Y900-F920 HydrophobicContact CE2-CD2 3.81Å; Y900-F920 AromaticContact CE2-CE2 3.38Å; Y900-F920 HydrophobicContact CE2-CE2 3.38Å; Y900-F920 HydrophobicContact CE2-CZ 4.04Å; Y900-F920 PolarHBondContact OH-O 3.26Å; Y900-I922 HydrophobicContact CD1-CD1 4.29Å; Y900-I922 HydrophobicContact CD1-CG1 3.75Å; Y900-I922 HydrophobicContact CE1-CD1 4.25Å; Y900-I922 HydrophobicContact CE1-CG1 3.62Å; Y900-L925 HydrophobicContact CD2-CD1 3.83Å; Y900-L925 HydrophobicContact CE2-CD1 4.42Å; Y900-L925 HydrophobicContact CG-CD1 3.96Å
901K84.8Confident83.5Confident121 Ų12144 Ų4453%0.52622%0.218SC..Hα-helixtrans-62.1-36.4178.3-74.1179.4179.7-176.20112.7I897 R898 R899 G905 I922I897-K901 HydrophobicContact CG2-CD 4.37Å; I897-K901 WeakPolarHBondContact O-CG 3.32Å; I897-K901 PolarHBondContact O-N 2.78Å; R898-K901 PolarHBondContact O-N 2.83Å; R899-K901 PolarHBondContact O-N 3.12Å; K901-G905 PolarHBondContact O-N 2.88Å; K901-I922 HydrophobicContact CG-CD1 4.12Å
902Q83.4Confident82.5Confident98 Ų9846 Ų4646%0.45823%0.234SC..Hα-helixtrans-64.9-45.3175.2-177.2-177.7-3.900111R898 R899 Y900 G905 L906R898-Q902 PolarHBondContact O-N 3.33Å; R899-Q902 WeakPolarHBondContact O-CB 3.41Å; R899-Q902 PolarHBondContact O-N 3.27Å; Y900-Q902 VanDerWaalsContact C-N 3.29Å; Y900-Q902 PolarHBondContact O-N 3.39Å; Q902-G905 PolarHBondContact O-N 2.93Å; Q902-L906 HydrophobicContact CG-CD1 4.29Å; Q902-L906 WeakPolarHBondContact O-CB 3.47Å; Q902-L906 VanDerWaalsContact O-CG 3.3Å; Q902-L906 WeakPolarHBondContact O-CG 3.09Å; Q902-L906 PolarHBondContact O-N 2.92Å
903Y84.4Confident81.6Confident4 Ų453.4 Ų53.42%0.01627%0.269CS..Hα-helixtrans-66.6-44.7178.1-62.6-18.1000111.8L820 K821 F824 R899 Y900 G905 L906 I907 M918L820-Y903 HydrophobicContact CD2-CD2 3.92Å; L820-Y903 HydrophobicContact CD2-CE2 3.99Å; L820-Y903 HydrophobicContact CG-CD2 4.24Å; L820-Y903 HydrophobicContact CG-CE2 4.19Å; K821-Y903 VanDerWaalsContact CA-OH 3.3Å; K821-Y903 WeakPolarHBondContact CA-OH 3.3Å; F824-Y903 HydrophobicContact CB-CD1 3.4Å; F824-Y903 VanDerWaalsContact CB-CD1 3.4Å; F824-Y903 HydrophobicContact CB-CE1 3.28Å; F824-Y903 HydrophobicContact CB-CG 4.26Å; F824-Y903 HydrophobicContact CD1-CD1 4.17Å; F824-Y903 AromaticContact CD2-CD1 3.46Å; F824-Y903 HydrophobicContact CD2-CD1 3.46Å; F824-Y903 VanDerWaalsContact CD2-CD1 3.46Å; F824-Y903 AromaticContact CD2-CD2 3.71Å; F824-Y903 HydrophobicContact CD2-CD2 3.71Å; F824-Y903 AromaticContact CD2-CE1 3.84Å; F824-Y903 HydrophobicContact CD2-CE1 3.84Å; F824-Y903 HydrophobicContact CD2-CE2 4.06Å; F824-Y903 AromaticContact CD2-CG 3.38Å; F824-Y903 HydrophobicContact CD2-CG 3.38Å; F824-Y903 HydrophobicContact CE2-CD1 4.27Å; F824-Y903 HydrophobicContact CE2-CD2 4.08Å; F824-Y903 AromaticContact CE2-CG 3.8Å; F824-Y903 HydrophobicContact CE2-CG 3.8Å; F824-Y903 AromaticContact CG-CD1 3.41Å; F824-Y903 HydrophobicContact CG-CD1 3.41Å; F824-Y903 VanDerWaalsContact CG-CD1 3.41Å; F824-Y903 HydrophobicContact CG-CD2 4.5Å; F824-Y903 AromaticContact CG-CE1 3.78Å; F824-Y903 HydrophobicContact CG-CE1 3.78Å; F824-Y903 AromaticContact CG-CG 3.82Å; F824-Y903 HydrophobicContact CG-CG 3.82Å; R899-Y903 HydrophobicContact CG-CD2 4.47Å; R899-Y903 HydrophobicContact CG-CE1 4.14Å; R899-Y903 HydrophobicContact CG-CE2 3.75Å; R899-Y903 PolarHBondContact NE-OH 2.65Å; R899-Y903 WeakPolarHBondContact O-CD2 3.42Å; R899-Y903 VanDerWaalsContact O-CG 3.24Å; R899-Y903 PolarHBondContact O-N 3.22Å; Y900-Y903 PolarHBondContact O-N 3.4Å; Y903-G905 VanDerWaalsContact C-N 3.32Å; Y903-G905 PolarHBondContact O-N 2.93Å; Y903-L906 HydrophobicContact CD1-CD1 4.46Å; Y903-L906 PolarHBondContact O-N 3.24Å; Y903-I907 WeakPolarHBondContact O-CG1 3.32Å; Y903-I907 PolarHBondContact O-N 3.5Å; Y903-M918 HydrophobicContact CD2-CE 4.27Å
904D82.5Confident80.4Confident39 Ų3952.3 Ų52.321%0.20927%0.266CS..Hα-helixtrans-58.9-43.9175.1-155.441.9000111Y900 I907 D908Y900-D904 HydrophobicContact CE1-CB 4.24Å; Y900-D904 WeakPolarHBondContact O-CB 3.25Å; Y900-D904 PolarHBondContact O-N 3.42Å; D904-I907 WeakPolarHBondContact O-CB 3.42Å; D904-I907 PolarHBondContact O-N 3.2Å; D904-D908 PolarHBondContact O-N 3.31Å
905G83.2Confident79.3Confident38 Ų3856.9 Ų56.939%0.39229%0.291SS..Hα-helixtrans-65.4-37.8174.800000114.2K901 Q902 Y903 I907 D908 L909K901-G905 PolarHBondContact O-N 2.88Å; Q902-G905 PolarHBondContact O-N 2.93Å; Y903-G905 VanDerWaalsContact C-N 3.32Å; Y903-G905 PolarHBondContact O-N 2.93Å; G905-I907 VanDerWaalsContact C-N 3.34Å; G905-D908 PolarHBondContact O-N 2.92Å; G905-L909 VanDerWaalsContact O-CB 3.28Å; G905-L909 WeakPolarHBondContact O-CB 3.37Å; G905-L909 PolarHBondContact O-N 2.84Å
906L81.2Confident78.3Confident18 Ų1856.7 Ų56.79%0.09429%0.29CS..Hα-helixtrans-67.8-35.5173.2-74.6171.8000111.6F824 I827 S828 I831 Q902 Y903 L909 C910F824-L906 HydrophobicContact CB-CD1 4.19Å; F824-L906 HydrophobicContact CD1-CB 4.14Å; F824-L906 HydrophobicContact CD1-CD1 4.05Å; F824-L906 HydrophobicContact CE1-CB 4.42Å; F824-L906 HydrophobicContact CG-CD1 4.48Å; I827-L906 HydrophobicContact CG2-CD2 4.42Å; S828-L906 VanDerWaalsContact OG-CD1 3.31Å; S828-L906 WeakPolarHBondContact OG-CD1 3.24Å; I831-L906 HydrophobicContact CD1-CD2 3.56Å; Q902-L906 HydrophobicContact CG-CD1 4.29Å; Q902-L906 WeakPolarHBondContact O-CB 3.47Å; Q902-L906 VanDerWaalsContact O-CG 3.3Å; Q902-L906 WeakPolarHBondContact O-CG 3.09Å; Q902-L906 PolarHBondContact O-N 2.92Å; Y903-L906 HydrophobicContact CD1-CD1 4.46Å; Y903-L906 PolarHBondContact O-N 3.24Å; L906-L909 PolarHBondContact O-N 2.84Å; L906-C910 VanDerWaalsContact O-CB 3.27Å; L906-C910 WeakPolarHBondContact O-CB 3.4Å; L906-C910 PolarHBondContact O-N 3.33Å
907I80.7Confident77.4Confident2 Ų264.8 Ų64.81%0.0132%0.321CS..Hα-helixtrans-64.3-49.6174.5-67.4164.9000109.8F824 L851 Y903 D904 G905 L909 Y911 A916 M918F824-I907 HydrophobicContact CE1-CD1 4.32Å; F824-I907 HydrophobicContact CE1-CG1 3.71Å; F824-I907 HydrophobicContact CZ-CD1 3.78Å; F824-I907 HydrophobicContact CZ-CG1 3.67Å; L851-I907 HydrophobicContact CD1-CG1 4.21Å; L851-I907 HydrophobicContact CD2-CG2 4.43Å; Y903-I907 WeakPolarHBondContact O-CG1 3.32Å; Y903-I907 PolarHBondContact O-N 3.5Å; D904-I907 WeakPolarHBondContact O-CB 3.42Å; D904-I907 PolarHBondContact O-N 3.2Å; G905-I907 VanDerWaalsContact C-N 3.34Å; I907-L909 VanDerWaalsContact C-N 3.27Å; I907-L909 PolarHBondContact O-N 3.48Å; I907-Y911 CarbonylContact O-C 3.59Å; I907-Y911 VanDerWaalsContact O-CA 3.31Å; I907-Y911 WeakPolarHBondContact O-CA 3.31Å; I907-Y911 VanDerWaalsContact O-CB 3.24Å; I907-Y911 WeakPolarHBondContact O-CB 3.27Å; I907-Y911 PolarHBondContact O-N 2.9Å; I907-A916 WeakPolarHBondContact CG2-O 3.34Å; I907-M918 HydrophobicContact CD1-CG 4.26Å
908D80.1Confident76.5Confident84 Ų8464.5 Ų64.545%0.44932%0.319SS..Hα-helixtrans-60.2-38.1178.4-78.5-20.8000112.2D904 G905D904-D908 PolarHBondContact O-N 3.31Å; G905-D908 PolarHBondContact O-N 2.92Å
909L79.8Confident75.7Confident90 Ų9064 Ų6447%0.47132%0.323SS..Hα-helixtrans-75.5-45.9-178.6-16873.9000112.9P837 G905 L906 I907P837-L909 HydrophobicContact CB-CD1 4.45Å; P837-L909 HydrophobicContact CB-CD2 3.74Å; P837-L909 HydrophobicContact CB-CG 3.57Å; P837-L909 HydrophobicContact CG-CD1 4.43Å; P837-L909 HydrophobicContact CG-CD2 3.65Å; P837-L909 HydrophobicContact CG-CG 3.86Å; G905-L909 VanDerWaalsContact O-CB 3.28Å; G905-L909 WeakPolarHBondContact O-CB 3.37Å; G905-L909 PolarHBondContact O-N 2.84Å; L906-L909 PolarHBondContact O-N 2.84Å; I907-L909 VanDerWaalsContact C-N 3.27Å; I907-L909 PolarHBondContact O-N 3.48Å
910C78Confident75.4Confident0 Ų062.3 Ų62.30%032%0.317CS..Hα-helixtrans-87.3-21.6-175.3-66.60000113.4P837 I840 L906 P912P837-C910 WeakPolarHBondContact O-CA 3.35Å; I840-C910 HydrophobicContact CB-CB 4.48Å; L906-C910 VanDerWaalsContact O-CB 3.27Å; L906-C910 WeakPolarHBondContact O-CB 3.4Å; L906-C910 PolarHBondContact O-N 3.33Å; C910-P912 VanDerWaalsContact C-CD 3.48Å
911Y80.3Confident75.2Confident4 Ų463.9 Ų63.92%0.01633%0.331CS..  trans-13543.9-168.4-57.6-81.8000114.4I827 Y846 R848 L851 I907 Q913 S914I827-Y911 HydrophobicContact CD1-CE2 4.18Å; Y846-Y911 WeakPolarHBondContact O-CE1 3.35Å; Y846-Y911 PolarHBondContact O-OH 3.47Å; R848-Y911 HydrophobicContact CG-CD1 3.99Å; R848-Y911 HydrophobicContact CG-CE1 4.39Å; L851-Y911 HydrophobicContact CD1-CE2 4.44Å; L851-Y911 HydrophobicContact CD2-CD1 4.03Å; L851-Y911 HydrophobicContact CD2-CD2 3.75Å; L851-Y911 HydrophobicContact CD2-CE1 4.26Å; L851-Y911 HydrophobicContact CD2-CE2 4Å; L851-Y911 HydrophobicContact CD2-CG 3.75Å; I907-Y911 CarbonylContact O-C 3.59Å; I907-Y911 VanDerWaalsContact O-CA 3.31Å; I907-Y911 WeakPolarHBondContact O-CA 3.31Å; I907-Y911 VanDerWaalsContact O-CB 3.24Å; I907-Y911 WeakPolarHBondContact O-CB 3.27Å; I907-Y911 PolarHBondContact O-N 2.9Å; Y911-Q913 VanDerWaalsContact C-N 3.25Å; Y911-Q913 PolarHBondContact O-N 3.34Å; Y911-S914 VanDerWaalsContact CB-OG 3.3Å; Y911-S914 WeakPolarHBondContact CB-OG 3.45Å; Y911-S914 WeakPolarHBondContact O-CB 3.46Å; Y911-S914 PolarHBondContact O-N 3.21Å; Y911-S914 PolarHBondContact O-OG 3Å
912P67.5Low75Confident90 Ų9060.9 Ų60.958%0.58432%0.32SS*.THydrogen-bonded Turntrans-59.7-27.6-167.522.5-34.3000115.1C910C910-P912 VanDerWaalsContact C-CD 3.48Å
913Q66.2Low74.8Confident155 Ų15561.4 Ų61.472%0.72432%0.322SS*.THydrogen-bonded Turntrans-95.83.5-178.2-64.7-174.5-10.600114.1Y911Y911-Q913 VanDerWaalsContact C-N 3.25Å; Y911-Q913 PolarHBondContact O-N 3.34Å
914S62.1Low74.8Confident22 Ų2263.9 Ų63.915%0.15434%0.336CS..SBendtrans-83-15.4-167.1-480000113.4Y911 A916Y911-S914 VanDerWaalsContact CB-OG 3.3Å; Y911-S914 WeakPolarHBondContact CB-OG 3.45Å; Y911-S914 WeakPolarHBondContact O-CB 3.46Å; Y911-S914 PolarHBondContact O-N 3.21Å; Y911-S914 PolarHBondContact O-OG 3Å; S914-A916 PolarHBondContact O-N 3.03Å
915N64.9Low74.8Confident160 Ų16062 Ų6286%0.85633%0.326SS*.  trans47.312.6-163.3-79.3-8.3000113.5R917N915-R917 PolarHBondContact O-N 3.37Å
916A63.3Low74.8Confident23 Ų2362.6 Ų62.619%0.1932%0.32CS..  trans-78.6105.6177.500000105.7L851 I907 S914L851-A916 HydrophobicContact CD2-CB 4.04Å; I907-A916 WeakPolarHBondContact CG2-O 3.34Å; S914-A916 PolarHBondContact O-N 3.03Å
917R66.9Low74.9Confident178 Ų17865.4 Ų65.467%0.67234%0.335SS*.  trans-114.9157.4167.8-70.6-173.4173.8177.2-1.1107.7N915 E919N915-R917 PolarHBondContact O-N 3.37Å; R917-E919 PolarHBondContact O-N 3.34Å
918M66.6Low75.1Confident15 Ų1565.9 Ų65.97%0.07434%0.338CS..  trans-56.8130.2164.2-67.9-81.5-141.500108.7L820 Y900 Y903 I907 F920L820-M918 HydrophobicContact CD2-CE 4.05Å; Y900-M918 HydrophobicContact CD2-CE 4.17Å; Y900-M918 HydrophobicContact CD2-CG 4.39Å; Y900-M918 HydrophobicContact CE2-CB 3.56Å; Y900-M918 HydrophobicContact CE2-CE 4.37Å; Y900-M918 HydrophobicContact CE2-CG 3.7Å; Y900-M918 HydrophobicContact CE2-SD 4.47Å; Y900-M918 WeakPolarHBondContact OH-CB 3.22Å; Y903-M918 HydrophobicContact CD2-CE 4.27Å; I907-M918 HydrophobicContact CD1-CG 4.26Å; M918-F920 PolarHBondContact O-N 2.9Å; M918-F920 HydrophobicContact SD-CE1 4.28Å; M918-F920 HydrophobicContact SD-CZ 4.1Å
919E68.4Low75.3Confident139 Ų13962 Ų6265%0.6532%0.317SS*.SBendtrans-70.6-11.2-173.5-67.9-169.8152.400114R917R917-E919 PolarHBondContact O-N 3.34Å
920F75.2Confident75.4Confident11 Ų1160 Ų605%0.04831%0.311CS..SBendtrans-117.1139.9-17954.3-90.2000110.7Y858 L860 V863 Y900 M918 D924 L925Y858-F920 WeakPolarHBondContact O-CE1 3.44Å; L860-F920 HydrophobicContact CB-CB 4.34Å; L860-F920 HydrophobicContact CD1-CB 3.9Å; L860-F920 HydrophobicContact CD1-CG 4.38Å; V863-F920 HydrophobicContact CG2-CE1 3.86Å; V863-F920 HydrophobicContact CG2-CZ 3.9Å; Y900-F920 HydrophobicContact CD2-CD2 4.32Å; Y900-F920 AromaticContact CD2-CE2 3.53Å; Y900-F920 HydrophobicContact CD2-CE2 3.53Å; Y900-F920 HydrophobicContact CD2-CZ 4.17Å; Y900-F920 AromaticContact CE2-CD2 3.81Å; Y900-F920 HydrophobicContact CE2-CD2 3.81Å; Y900-F920 AromaticContact CE2-CE2 3.38Å; Y900-F920 HydrophobicContact CE2-CE2 3.38Å; Y900-F920 HydrophobicContact CE2-CZ 4.04Å; Y900-F920 PolarHBondContact OH-O 3.26Å; M918-F920 PolarHBondContact O-N 2.9Å; M918-F920 HydrophobicContact SD-CE1 4.28Å; M918-F920 HydrophobicContact SD-CZ 4.1Å; F920-D924 HydrophobicContact CB-CB 4.27Å; F920-L925 HydrophobicContact CD2-CD1 4.2Å; F920-L925 HydrophobicContact CD2-CD2 3.78Å; F920-L925 HydrophobicContact CD2-CG 3.78Å; F920-L925 HydrophobicContact CE2-CD1 3.94Å; F920-L925 HydrophobicContact CE2-CD2 3.67Å; F920-L925 HydrophobicContact CE2-CG 3.9Å
921S78.9Confident75.7Confident51 Ų5161.2 Ų61.236%0.35732%0.321SS..  trans-81.6163.917972.20000112Q923 D924 L925S921-Q923 PolarHBondContact O-N 3.25Å; S921-Q923 PolarHBondContact OG-N 2.88Å; S921-D924 WeakPolarHBondContact CB-OD2 3.29Å; S921-D924 PolarHBondContact N-OD2 2.86Å; S921-D924 WeakPolarHBondContact O-CB 3.24Å; S921-D924 PolarHBondContact O-N 3.46Å; S921-D924 VanDerWaalsContact OG-CG 3.24Å; S921-D924 PolarHBondContact OG-N 3.44Å; S921-D924 VanDerWaalsContact OG-N 3.15Å; S921-D924 PolarHBondContact OG-OD2 3.34Å; S921-L925 PolarHBondContact O-N 3.28Å
922I80.9Confident75.7Confident57 Ų5761.1 Ų61.129%0.29232%0.321SS..Hα-helixtrans-55.3-33.3168.5-61.8173.5000110.6I897 Y900 K901 L925 L926I897-I922 HydrophobicContact CG2-CG2 4.3Å; Y900-I922 HydrophobicContact CD1-CD1 4.29Å; Y900-I922 HydrophobicContact CD1-CG1 3.75Å; Y900-I922 HydrophobicContact CE1-CD1 4.25Å; Y900-I922 HydrophobicContact CE1-CG1 3.62Å; K901-I922 HydrophobicContact CG-CD1 4.12Å; I922-L925 WeakPolarHBondContact O-CB 3.48Å; I922-L925 PolarHBondContact O-N 3.28Å; I922-L926 HydrophobicContact CG2-CD1 4.37Å; I922-L926 HydrophobicContact CG2-CG 4.46Å; I922-L926 VanDerWaalsContact O-CG 3.31Å; I922-L926 WeakPolarHBondContact O-CG 3.46Å; I922-L926 PolarHBondContact O-N 3.03Å
923Q80.4Confident76.2Confident109 Ų10958.9 Ų58.951%0.50931%0.31SS..Hα-helixtrans-67.6-37.3177.9-16961.237.100112S921 L925 L926 N927S921-Q923 PolarHBondContact O-N 3.25Å; S921-Q923 PolarHBondContact OG-N 2.88Å; Q923-L925 VanDerWaalsContact C-N 3.33Å; Q923-L926 PolarHBondContact O-N 3.49Å; Q923-N927 PolarHBondContact NE2-OD1 3.46Å; Q923-N927 WeakPolarHBondContact O-CB 3.32Å; Q923-N927 PolarHBondContact O-N 2.55Å; Q923-N927 PolarHBondContact O-ND2 3.3Å; Q923-N927 PolarHBondContact O-OD1 3.46Å
924D83.2Confident76.7Confident57 Ų5759.2 Ų59.231%0.30531%0.311SS..Hα-helixtrans-66-38.3176.5-59-49.7000111.4L860 F920 S921 N927 C928L860-D924 HydrophobicContact CD1-CB 4.03Å; L860-D924 HydrophobicContact CD2-CB 4.38Å; F920-D924 HydrophobicContact CB-CB 4.27Å; S921-D924 WeakPolarHBondContact CB-OD2 3.29Å; S921-D924 PolarHBondContact N-OD2 2.86Å; S921-D924 WeakPolarHBondContact O-CB 3.24Å; S921-D924 PolarHBondContact O-N 3.46Å; S921-D924 VanDerWaalsContact OG-CG 3.24Å; S921-D924 PolarHBondContact OG-N 3.44Å; S921-D924 VanDerWaalsContact OG-N 3.15Å; S921-D924 PolarHBondContact OG-OD2 3.34Å; D924-N927 PolarHBondContact O-N 3.28Å; D924-C928 PolarHBondContact O-N 3.18Å; D924-C928 PolarHBondContact O-SG 3.01Å
925L83.1Confident77.3Confident0 Ų064.1 Ų64.10%033%0.332CS..Hα-helixtrans-61.5-49.6171.1-68.2176.4000111.4V863 I867 F896 Y900 F920 S921 I922 Q923 N927 C928 F929V863-L925 HydrophobicContact CG1-CD2 3.74Å; I867-L925 HydrophobicContact CD1-CD2 4.26Å; F896-L925 HydrophobicContact CD1-CD1 3.98Å; F896-L925 HydrophobicContact CD1-CD2 4.25Å; F896-L925 HydrophobicContact CE1-CD1 3.82Å; F896-L925 HydrophobicContact CE1-CD2 3.54Å; F896-L925 HydrophobicContact CE1-CG 4.3Å; F896-L925 HydrophobicContact CZ-CD2 4.34Å; Y900-L925 HydrophobicContact CD2-CD1 3.83Å; Y900-L925 HydrophobicContact CE2-CD1 4.42Å; Y900-L925 HydrophobicContact CG-CD1 3.96Å; F920-L925 HydrophobicContact CD2-CD1 4.2Å; F920-L925 HydrophobicContact CD2-CD2 3.78Å; F920-L925 HydrophobicContact CD2-CG 3.78Å; F920-L925 HydrophobicContact CE2-CD1 3.94Å; F920-L925 HydrophobicContact CE2-CD2 3.67Å; F920-L925 HydrophobicContact CE2-CG 3.9Å; S921-L925 PolarHBondContact O-N 3.28Å; I922-L925 WeakPolarHBondContact O-CB 3.48Å; I922-L925 PolarHBondContact O-N 3.28Å; Q923-L925 VanDerWaalsContact C-N 3.33Å; L925-N927 VanDerWaalsContact C-N 3.25Å; L925-N927 PolarHBondContact O-N 2.92Å; L925-C928 WeakPolarHBondContact O-CA 3.32Å; L925-C928 WeakPolarHBondContact O-CB 3.36Å; L925-C928 PolarHBondContact O-N 3.43Å; L925-F929 VanDerWaalsContact O-CD2 3.26Å; L925-F929 WeakPolarHBondContact O-CD2 3.3Å; L925-F929 PolarHBondContact O-N 2.93Å
926L83Confident77.1Confident49 Ų4962.2 Ų62.226%0.25732%0.318SS..Hα-helixtrans-57.5-39.9177.3-69.2175.3000111.9I897 I922 Q923 F929 S930I897-L926 HydrophobicContact CD1-CD2 3.67Å; I922-L926 HydrophobicContact CG2-CD1 4.37Å; I922-L926 HydrophobicContact CG2-CG 4.46Å; I922-L926 VanDerWaalsContact O-CG 3.31Å; I922-L926 WeakPolarHBondContact O-CG 3.46Å; I922-L926 PolarHBondContact O-N 3.03Å; Q923-L926 PolarHBondContact O-N 3.49Å; L926-F929 PolarHBondContact O-N 3.14Å; L926-S930 WeakPolarHBondContact O-CB 3.33Å; L926-S930 PolarHBondContact O-N 3.46Å; L926-S930 PolarHBondContact O-OG 2.92Å
927N84.4Confident77.8Confident78 Ų7864.2 Ų64.242%0.41732%0.324SS..Hα-helixtrans-65.1-38.2174.8-67.3-16.3000111.5Q923 D924 L925 S930 A931Q923-N927 PolarHBondContact NE2-OD1 3.46Å; Q923-N927 WeakPolarHBondContact O-CB 3.32Å; Q923-N927 PolarHBondContact O-N 2.55Å; Q923-N927 PolarHBondContact O-ND2 3.3Å; Q923-N927 PolarHBondContact O-OD1 3.46Å; D924-N927 PolarHBondContact O-N 3.28Å; L925-N927 VanDerWaalsContact C-N 3.25Å; L925-N927 PolarHBondContact O-N 2.92Å; N927-S930 WeakPolarHBondContact CA-OG 3.2Å; N927-S930 PolarHBondContact O-OG 2.8Å; N927-S930 VanDerWaalsContact O-OG 3.04Å; N927-A931 WeakPolarHBondContact O-CB 3.35Å; N927-A931 PolarHBondContact O-N 3.19Å
928C83.5Confident78.4Confident11 Ų1158.2 Ų58.27%0.07431%0.306CS..Hα-helixtrans-65.7-48.3174.5-69.70000112.3I867 D924 L925 S930 A931 I932I867-C928 HydrophobicContact CD1-CB 4.3Å; D924-C928 PolarHBondContact O-N 3.18Å; D924-C928 PolarHBondContact O-SG 3.01Å; L925-C928 WeakPolarHBondContact O-CA 3.32Å; L925-C928 WeakPolarHBondContact O-CB 3.36Å; L925-C928 PolarHBondContact O-N 3.43Å; C928-S930 VanDerWaalsContact C-N 3.34Å; C928-S930 PolarHBondContact O-N 3.36Å; C928-A931 PolarHBondContact O-N 2.92Å; C928-I932 WeakPolarHBondContact O-CG1 3.47Å; C928-I932 PolarHBondContact O-N 3.17Å
929F85.1Confident79Confident2 Ų260.6 Ų60.61%0.00932%0.319CS..Hα-helixtrans-60.8-42.5178.1-84.8-82.1000112I867 W889 V892 Q893 F896 L925 L926 A933I867-F929 HydrophobicContact CD1-CD2 4.26Å; I867-F929 HydrophobicContact CD1-CE2 3.77Å; I867-F929 HydrophobicContact CD1-CZ 4.13Å; I867-F929 HydrophobicContact CG1-CE2 4.33Å; I867-F929 HydrophobicContact CG1-CZ 4.19Å; I867-F929 HydrophobicContact CG2-CD1 4.09Å; I867-F929 HydrophobicContact CG2-CE1 3.84Å; I867-F929 HydrophobicContact CG2-CE2 4.42Å; I867-F929 HydrophobicContact CG2-CG 4.47Å; I867-F929 HydrophobicContact CG2-CZ 4Å; W889-F929 HydrophobicContact CD2-CD1 4.42Å; W889-F929 AromaticContact CE2-CD1 3.58Å; W889-F929 HydrophobicContact CH2-CD1 4.05Å; W889-F929 AromaticContact CH2-CE1 3.87Å; W889-F929 HydrophobicContact CH2-CE1 3.87Å; W889-F929 AromaticContact CZ2-CD1 3.38Å; W889-F929 HydrophobicContact CZ2-CD1 3.38Å; W889-F929 AromaticContact CZ2-CE1 3.7Å; W889-F929 HydrophobicContact CZ2-CE1 3.7Å; W889-F929 HydrophobicContact CZ2-CG 4.44Å; W889-F929 HydrophobicContact CZ3-CE1 4.42Å; W889-F929 AromaticContact NE1-CD1 3.83Å; V892-F929 HydrophobicContact CG1-CE1 4.44Å; Q893-F929 HydrophobicContact CB-CD1 3.72Å; Q893-F929 HydrophobicContact CB-CD2 4.44Å; Q893-F929 HydrophobicContact CB-CE1 3.82Å; Q893-F929 HydrophobicContact CB-CG 4.08Å; Q893-F929 HydrophobicContact CB-CZ 4.25Å; Q893-F929 HydrophobicContact CG-CB 4.27Å; Q893-F929 HydrophobicContact CG-CD1 4.02Å; Q893-F929 HydrophobicContact CG-CD2 3.98Å; Q893-F929 HydrophobicContact CG-CE1 4.39Å; Q893-F929 HydrophobicContact CG-CE2 4.36Å; Q893-F929 HydrophobicContact CG-CG 3.83Å; F896-F929 HydrophobicContact CB-CE2 4.14Å; F896-F929 HydrophobicContact CB-CZ 3.81Å; F896-F929 HydrophobicContact CD1-CE2 4.03Å; F896-F929 HydrophobicContact CD1-CZ 4.36Å; F896-F929 HydrophobicContact CD2-CZ 4.25Å; F896-F929 HydrophobicContact CG-CE2 4.03Å; F896-F929 AromaticContact CG-CZ 3.89Å; F896-F929 HydrophobicContact CG-CZ 3.89Å; L925-F929 VanDerWaalsContact O-CD2 3.26Å; L925-F929 WeakPolarHBondContact O-CD2 3.3Å; L925-F929 PolarHBondContact O-N 2.93Å; L926-F929 PolarHBondContact O-N 3.14Å; F929-A933 WeakPolarHBondContact O-CB 3.48Å; F929-A933 PolarHBondContact O-N 3.22Å
930S82.5Confident79.7Confident50 Ų5056 Ų5635%0.3530%0.299SS..Hα-helixtrans-70.4-40.1177.654.90000112.8L926 N927 C928 I932 A933 Q934L926-S930 WeakPolarHBondContact O-CB 3.33Å; L926-S930 PolarHBondContact O-N 3.46Å; L926-S930 PolarHBondContact O-OG 2.92Å; N927-S930 WeakPolarHBondContact CA-OG 3.2Å; N927-S930 PolarHBondContact O-OG 2.8Å; N927-S930 VanDerWaalsContact O-OG 3.04Å; C928-S930 VanDerWaalsContact C-N 3.34Å; C928-S930 PolarHBondContact O-N 3.36Å; S930-I932 VanDerWaalsContact C-N 3.35Å; S930-I932 PolarHBondContact O-N 2.94Å; S930-A933 PolarHBondContact O-N 3.49Å; S930-Q934 WeakPolarHBondContact O-CB 3.47Å; S930-Q934 VanDerWaalsContact O-CG 3.31Å; S930-Q934 WeakPolarHBondContact O-CG 3.42Å; S930-Q934 PolarHBondContact O-N 2.98Å
931A83Confident79.9Confident25 Ų2558.8 Ų58.821%0.20732%0.315CS..Hα-helixtrans-62-41.5175.800000112N927 C928 Q934 Q935N927-A931 WeakPolarHBondContact O-CB 3.35Å; N927-A931 PolarHBondContact O-N 3.19Å; C928-A931 PolarHBondContact O-N 2.92Å; A931-Q934 PolarHBondContact O-N 3.17Å; A931-Q935 VanDerWaalsContact O-CG 3.27Å; A931-Q935 WeakPolarHBondContact O-CG 3.37Å; A931-Q935 PolarHBondContact O-N 3.12Å
932I80.9Confident80Confident1 Ų159.3 Ų59.31%0.00531%0.312CS..Hα-helixtrans-66.7-43.8176.4-67.8165.9000110.4I867 N868 Y871 W889 C928 S930 Q934 Q935 H936I867-I932 HydrophobicContact CB-CD1 3.99Å; I867-I932 HydrophobicContact CG2-CD1 3.45Å; I867-I932 VanDerWaalsContact CG2-CD1 3.45Å; N868-I932 HydrophobicContact CB-CD1 4.18Å; Y871-I932 HydrophobicContact CD1-CG2 4.21Å; Y871-I932 HydrophobicContact CD2-CG2 3.73Å; Y871-I932 HydrophobicContact CE2-CG2 4.33Å; Y871-I932 HydrophobicContact CG-CG2 3.65Å; W889-I932 HydrophobicContact CZ2-CB 4.49Å; W889-I932 HydrophobicContact CZ2-CG2 4.11Å; C928-I932 WeakPolarHBondContact O-CG1 3.47Å; C928-I932 PolarHBondContact O-N 3.17Å; S930-I932 VanDerWaalsContact C-N 3.35Å; S930-I932 PolarHBondContact O-N 2.94Å; I932-Q934 PolarHBondContact O-N 3.07Å; I932-Q935 PolarHBondContact O-N 3.14Å; I932-H936 PolarHBondContact O-N 3.45Å
933A76.9Confident79.9Confident43 Ų4359.5 Ų59.536%0.35531%0.313SS..Hα-helixtrans-67.9-18.6177.400000114.4F929 S930 H936F929-A933 WeakPolarHBondContact O-CB 3.48Å; F929-A933 PolarHBondContact O-N 3.22Å; S930-A933 PolarHBondContact O-N 3.49Å; A933-H936 VanDerWaalsContact O-OXT 3.1Å
934Q77.5Confident79.9Confident163 Ų16355.7 Ų55.776%0.76230%0.298SS*.Hα-helixtrans-88.2-22.4173.1-75.8176.3-0.500112.9S930 A931 I932S930-Q934 WeakPolarHBondContact O-CB 3.47Å; S930-Q934 VanDerWaalsContact O-CG 3.31Å; S930-Q934 WeakPolarHBondContact O-CG 3.42Å; S930-Q934 PolarHBondContact O-N 2.98Å; A931-Q934 PolarHBondContact O-N 3.17Å; I932-Q934 PolarHBondContact O-N 3.07Å
935Q74.8Confident79.6Confident124 Ų12455.6 Ų55.658%0.57930%0.298SS*.Hα-helixtrans-78.8-22.5-180-78.9176.5-3.100113.3A931 I932A931-Q935 VanDerWaalsContact O-CG 3.27Å; A931-Q935 WeakPolarHBondContact O-CG 3.37Å; A931-Q935 PolarHBondContact O-N 3.12Å; I932-Q935 PolarHBondContact O-N 3.14Å
936H61.2Low79.3Confident121 Ų12160.6 Ų60.656%0.5633%0.325SS*.  trans-117.30179.7-72.7-102.5000109.9Y871 E875 I932 A933Y871-H936 HydrophobicContact CE1-CB 3.7Å; Y871-H936 AromaticContact CE1-CD2 3.68Å; Y871-H936 AromaticContact CE1-CE1 3.93Å; Y871-H936 AromaticContact CE1-CG 3.41Å; Y871-H936 VanDerWaalsContact CE1-CG 3.41Å; Y871-H936 AromaticContact CE1-ND1 3.58Å; Y871-H936 AromaticContact CZ-CG 3.96Å; Y871-H936 WeakPolarHBondContact OH-CB 3.4Å; E875-H936 IonicContact OE1-ND1 3.88Å; E875-H936 PolarHBondContact OE1-ND1 3.25Å; E875-H936 IonicContact OE2-CE1 2.64Å; E875-H936 IonicContact OE2-ND1 3.09Å; I932-H936 PolarHBondContact O-N 3.45Å; A933-H936 VanDerWaalsContact O-OXT 3.1Å

Retrieved 936 of 936 residues in 317.5 ms (Link to these results)

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