A0A061AJ13_CAEEL Loading...

Calcium-dependent secretion activator

AlphaFold DB , UniProt , Accession A0A061AJ13, Species CAEEL (Caenorhabditis elegans), Gene unc-31, Length 934 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
1M86.8Confident89.5Confident29 Ų2931.3 Ų31.314%0.14317%0.168CC..  0117.20178.4179.77900107.2V3 V26 F49 P56 V58 P84 I114 R115 V116M1-V3 HydrophobicContact CE-CG2 4.11Å; M1-V26 HydrophobicContact CE-CB 4.16Å; M1-V26 HydrophobicContact CE-CG1 3.48Å; M1-V26 VanDerWaalsContact CE-CG1 3.48Å; M1-V26 HydrophobicContact CE-CG2 3.59Å; M1-F49 WeakPolarHBondContact CB-O 3.35Å; M1-F49 HydrophobicContact CE-CB 4.3Å; M1-F49 PolarHBondContact N-O 3.38Å; M1-F49 PolarHBondContact O-N 3.17Å; M1-P56 HydrophobicContact SD-CG 4.13Å; M1-V58 HydrophobicContact CE-CG2 3.58Å; M1-V58 HydrophobicContact SD-CG2 4.29Å; M1-P84 HydrophobicContact SD-CG 4.05Å; M1-I114 HydrophobicContact CG-CG2 4.28Å; M1-I114 HydrophobicContact SD-CG2 4.32Å; M1-R115 CarbonylContact C-O 3.56Å; M1-R115 VanDerWaalsContact CA-O 3.26Å; M1-R115 WeakPolarHBondContact CA-O 3.33Å; M1-V116 HydrophobicContact CG-CG2 4.02Å; M1-V116 HydrophobicContact SD-CG2 3.9Å
2E90.4Very high88.7Confident61 Ų6143.7 Ų43.729%0.28522%0.22SC..EExtended strand (participates in β ladder)trans-94134.2-177.7-38.7177.715400108.2Q46 I114 R115E2-Q46 HydrophobicContact CB-CG 4.4Å; E2-I114 WeakPolarHBondContact O-CA 3.39Å; E2-R115 HydrophobicContact CB-CB 4.16Å; E2-R115 HydrophobicContact CG-CB 4.27Å; E2-R115 PolarHBondContact N-O 3.48Å; E2-R115 PolarHBondContact O-N 3.13Å; E2-R115 WeakPolarHBondContact OE2-CD 3.47Å; E2-R115 IonicContact OE2-CZ 3.35Å; E2-R115 IonicContact OE2-NE 3.57Å; E2-R115 IonicContact OE2-NH1 2.71Å; E2-R115 PolarHBondContact OE2-NH1 3.07Å
3V91.9Very high87.7Confident0 Ų042.9 Ų42.90%022%0.221CC..EExtended strand (participates in β ladder)trans-125.2116.8171.4-179.30000107.6M1 M24 G47 F49 V58 I112 I114M1-V3 HydrophobicContact CE-CG2 4.11Å; V3-M24 HydrophobicContact CB-SD 4.14Å; V3-M24 HydrophobicContact CG1-CG 4.31Å; V3-M24 HydrophobicContact CG1-SD 3.85Å; V3-G47 PolarHBondContact N-O 3.29Å; V3-G47 PolarHBondContact O-N 2.91Å; V3-F49 HydrophobicContact CB-CD2 4.49Å; V3-F49 HydrophobicContact CB-CE2 4.21Å; V3-F49 HydrophobicContact CG2-CD2 4.09Å; V3-F49 HydrophobicContact CG2-CE2 4.18Å; V3-V58 HydrophobicContact CG1-CG1 4.18Å; V3-V58 HydrophobicContact CG2-CG1 4.09Å; V3-V58 HydrophobicContact CG2-CG2 4.33Å; V3-I112 HydrophobicContact CG1-CG2 3.96Å; V3-I114 HydrophobicContact CG1-CG1 4.45Å; V3-I114 HydrophobicContact CG2-CG2 4.4Å
4V92Very high87.2Confident16 Ų1641.6 Ų41.610%0.09722%0.216CC..EExtended strand (participates in β ladder)trans-112.7118.7179.5-171.50000108.9M6 Q46 I112 A113V4-M6 HydrophobicContact CG1-CG 4.34Å; V4-Q46 HydrophobicContact CG2-CB 4.06Å; V4-Q46 HydrophobicContact CG2-CG 4.14Å; V4-I112 WeakPolarHBondContact O-CA 3.49Å; V4-I112 WeakPolarHBondContact O-CG2 3.49Å; V4-A113 HydrophobicContact CB-CB 4.35Å; V4-A113 PolarHBondContact N-O 3.47Å; V4-A113 PolarHBondContact O-N 2.87Å
5V91.7Very high86.7Confident0 Ų047.5 Ų47.50%024%0.242CC..EExtended strand (participates in β ladder)trans-95122.3175.4175.20000108.4C22 M24 T33 W43 T45 V60 I110 I112V5-C22 HydrophobicContact CG1-CB 4.18Å; V5-M24 HydrophobicContact CG2-CG 3.86Å; V5-M24 HydrophobicContact CG2-SD 3.75Å; V5-T33 HydrophobicContact CB-CG2 4.1Å; V5-T33 HydrophobicContact CG1-CG2 4.42Å; V5-T33 HydrophobicContact CG2-CG2 4.44Å; V5-W43 HydrophobicContact CG1-CE3 4.12Å; V5-W43 CarbonylContact O-C 3.34Å; V5-W43 WeakPolarHBondContact O-CB 3.47Å; V5-T45 PolarHBondContact N-O 3.45Å; V5-V60 HydrophobicContact CG2-CG1 3.98Å; V5-V60 HydrophobicContact CG2-CG2 4.45Å; V5-I110 HydrophobicContact CG1-CD1 3.94Å; V5-I110 HydrophobicContact CG1-CG1 4.37Å; V5-I112 HydrophobicContact CG2-CG1 4.45Å
6M92.5Very high86.3Confident50 Ų5049.9 Ų49.925%0.24626%0.262CS..EExtended strand (participates in β ladder)trans-106.3-54.4-170.3-56.1-169.779.100114V4 K42 W43 P92 R111V4-M6 HydrophobicContact CG1-CG 4.34Å; M6-K42 CarbonylContact O-C 3.56Å; M6-K42 WeakPolarHBondContact O-CA 3.5Å; M6-W43 CarbonylContact C-O 3.54Å; M6-W43 VanDerWaalsContact CA-O 3.32Å; M6-W43 WeakPolarHBondContact CA-O 3.46Å; M6-W43 PolarHBondContact O-N 3.48Å; M6-P92 HydrophobicContact SD-CB 3.47Å; M6-P92 WeakPolarHBondContact SD-CB 3.32Å; M6-P92 HydrophobicContact SD-CG 3.52Å; M6-P92 VanDerWaalsContact SD-CG 3.52Å; M6-R111 HydrophobicContact CB-CB 4.27Å; M6-R111 HydrophobicContact CB-CG 4.37Å; M6-R111 PolarHBondContact N-O 3.49Å; M6-R111 HydrophobicContact SD-CG 4.42Å
7E92.8Very high86Confident22 Ų2252.5 Ų52.510%0.10329%0.285CS..EExtended strand (participates in β ladder)trans-161.4150.5-173.947.8178176.600112.6P41 K42 W94 I110 R111E7-P41 WeakPolarHBondContact CA-O 3.39Å; E7-K42 HydrophobicContact CB-CD 4.32Å; E7-K42 HydrophobicContact CB-CG 3.97Å; E7-K42 VanDerWaalsContact OE2-CE 3.29Å; E7-K42 WeakPolarHBondContact OE2-CE 3.26Å; E7-K42 IonicContact OE2-NZ 3.87Å; E7-K42 PolarHBondContact OE2-NZ 3.08Å; E7-W94 HydrophobicContact CG-CH2 3.59Å; E7-W94 HydrophobicContact CG-CZ2 4.09Å; E7-W94 HydrophobicContact CG-CZ3 4.41Å; E7-W94 WeakPolarHBondContact OE1-CZ2 3.44Å; E7-I110 CarbonylContact O-C 3.57Å; E7-I110 WeakPolarHBondContact O-CA 3.34Å; E7-R111 HydrophobicContact CG-CB 3.71Å; E7-R111 HydrophobicContact CG-CG 4.42Å; E7-R111 PolarHBondContact O-N 3.48Å; E7-R111 VanDerWaalsContact OE1-CD 3.26Å; E7-R111 WeakPolarHBondContact OE1-CD 3.26Å; E7-R111 IonicContact OE1-CZ 3.53Å; E7-R111 IonicContact OE1-NE 2.6Å; E7-R111 IonicContact OE1-NH1 2.74Å; E7-R111 PolarHBondContact OE1-NH1 3.21Å
8V91.6Very high86Confident9 Ų953.9 Ų53.96%0.05529%0.288CS..EExtended strand (participates in β ladder)trans-110.2140.6172.6166.20000110.1L11 P41 W43 L62 L108 K109 I110V8-L11 HydrophobicContact CG1-CB 4.32Å; V8-P41 HydrophobicContact CB-CB 4.17Å; V8-P41 HydrophobicContact CB-CG 4Å; V8-P41 HydrophobicContact CG1-CG 4.38Å; V8-P41 PolarHBondContact N-O 3.33Å; V8-W43 HydrophobicContact CB-CZ3 4.2Å; V8-W43 HydrophobicContact CG2-CH2 4.28Å; V8-W43 HydrophobicContact CG2-CZ3 3.77Å; V8-L62 HydrophobicContact CG1-CD2 4.1Å; V8-L62 HydrophobicContact CG2-CD1 4.45Å; V8-L62 HydrophobicContact CG2-CD2 4.3Å; V8-L108 HydrophobicContact CG1-CD1 3.6Å; V8-L108 HydrophobicContact CG1-CG 4.35Å; V8-K109 CarbonylContact C-O 3.5Å; V8-K109 WeakPolarHBondContact CA-O 3.27Å; V8-I110 HydrophobicContact CG2-CB 3.97Å; V8-I110 HydrophobicContact CG2-CD1 3.77Å; V8-I110 HydrophobicContact CG2-CG1 3.68Å
9Q88.9Confident86.2Confident99 Ų9953.6 Ų53.646%0.46329%0.286SS..EExtended strand (participates in β ladder)trans-126.1143.7174.1-77.1-178.78.500110.7W94 L108 K109Q9-W94 HydrophobicContact CB-CH2 4.16Å; Q9-W94 HydrophobicContact CB-CZ3 3.99Å; Q9-W94 HydrophobicContact CG-CH2 3.47Å; Q9-W94 VanDerWaalsContact CG-CH2 3.47Å; Q9-W94 HydrophobicContact CG-CZ2 4.34Å; Q9-W94 HydrophobicContact CG-CZ3 3.83Å; Q9-W94 VanDerWaalsContact NE2-CH2 3.27Å; Q9-W94 VanDerWaalsContact NE2-CZ2 3.31Å; Q9-L108 WeakPolarHBondContact O-CA 3.41Å; Q9-K109 PolarHBondContact N-O 3.3Å; Q9-K109 PolarHBondContact O-N 3.2Å
10G81.9Confident86.4Confident31 Ų3150.9 Ų50.932%0.3227%0.271SS..  trans91.48.5177.100000115.6K12G10-K12 PolarHBondContact O-N 3.37Å
11L84.3Confident86.7Confident27 Ų2749.5 Ų49.514%0.14126%0.262CS..  trans-73.8118.2172.9-175.764.5000110.3V8 V14 V20 A38 L77 L108V8-L11 HydrophobicContact CG1-CB 4.32Å; L11-V14 HydrophobicContact CD1-CB 4.49Å; L11-V14 HydrophobicContact CD1-CG2 4.18Å; L11-V20 HydrophobicContact CD2-CG1 4.19Å; L11-A38 HydrophobicContact CD2-CB 4.09Å; L11-L77 HydrophobicContact CD1-CD1 3.98Å; L11-L108 HydrophobicContact CB-CD1 3.88Å; L11-L108 HydrophobicContact CD1-CD1 4.39Å
12K79.9Confident87Confident180 Ų18048.1 Ų48.178%0.78326%0.256SS*.  trans-134.2-19-179.2-63.8-177.2-179.9-179.70113.4G10 V14 D105G10-K12 PolarHBondContact O-N 3.37Å; K12-V14 PolarHBondContact O-N 3.14Å; K12-D105 WeakPolarHBondContact CA-OD1 3.4Å; K12-D105 PolarHBondContact N-OD1 2.93Å
13S74.8Confident87.1Confident34 Ų3445.3 Ų45.324%0.23824%0.243CC..SBendtrans-76.5-0.1-177.270.30000115.3D105S13-D105 WeakPolarHBondContact CB-OD1 3.43Å; S13-D105 VanDerWaalsContact CB-OD2 3.26Å; S13-D105 WeakPolarHBondContact CB-OD2 3.24Å; S13-D105 PolarHBondContact N-OD1 3.21Å; S13-D105 PolarHBondContact OG-OD2 2.97Å
14V82Confident87.2Confident24 Ų2445.4 Ų45.415%0.14524%0.243CC..SBendtrans-127.2139.8-174.5177.40000109.6L11 K12 K18 A38 T64 L77L11-V14 HydrophobicContact CD1-CB 4.49Å; L11-V14 HydrophobicContact CD1-CG2 4.18Å; K12-V14 PolarHBondContact O-N 3.14Å; V14-K18 HydrophobicContact CG1-CB 3.59Å; V14-K18 HydrophobicContact CG1-CG 4.17Å; V14-A38 HydrophobicContact CB-CB 4.41Å; V14-A38 HydrophobicContact CG1-CB 3.84Å; V14-T64 HydrophobicContact CG2-CG2 4.29Å; V14-L77 HydrophobicContact CG2-CD1 3.9Å; V14-L77 HydrophobicContact CG2-CD2 3.68Å; V14-L77 HydrophobicContact CG2-CG 4.46Å
15Q79Confident87.1Confident130 Ų13047 Ų4761%0.60725%0.249SC*.  trans-63.8140.2178.6-70.6178.8-14.400111.1S17 K18Q15-S17 PolarHBondContact O-N 3.49Å; Q15-S17 VanDerWaalsContact O-N 3.07Å; Q15-K18 HydrophobicContact CB-CG 4.1Å; Q15-K18 WeakPolarHBondContact O-CB 3.47Å; Q15-K18 PolarHBondContact O-N 3.16Å
16P80.5Confident87Confident87 Ų8747.1 Ų47.157%0.56525%0.25SS*.THydrogen-bonded Turntrans-55.9-31.5-173.8-28.935.6000115.6K18 S39P16-K18 VanDerWaalsContact C-N 3.33Å; P16-K18 PolarHBondContact O-N 3.09Å; P16-S39 WeakPolarHBondContact O-CB 3.43Å; P16-S39 PolarHBondContact O-N 3.4Å
17S81.4Confident86.2Confident94 Ų9447.4 Ų47.466%0.65725%0.253SS*.THydrogen-bonded Turntrans-85.24.6-179.755.50000114.8Q15Q15-S17 PolarHBondContact O-N 3.49Å; Q15-S17 VanDerWaalsContact O-N 3.07Å
18K86.6Confident85.4Confident78 Ų7849.1 Ų49.134%0.33928%0.276SS..SBendtrans-85.2148.5175.2-74.7-73.6-176174.90111.1V14 Q15 P16 A38V14-K18 HydrophobicContact CG1-CB 3.59Å; V14-K18 HydrophobicContact CG1-CG 4.17Å; Q15-K18 HydrophobicContact CB-CG 4.1Å; Q15-K18 WeakPolarHBondContact O-CB 3.47Å; Q15-K18 PolarHBondContact O-N 3.16Å; P16-K18 VanDerWaalsContact C-N 3.33Å; P16-K18 PolarHBondContact O-N 3.09Å; K18-A38 WeakPolarHBondContact O-CB 3.42Å; K18-A38 PolarHBondContact O-N 3.15Å
19I88.3Confident84.9Confident47 Ų4754.9 Ų54.924%0.24130%0.303CS..EExtended strand (participates in β ladder)trans-84.1139.5176.8-57.7-56.7000110.4H35 A36 E37 T64 E65I19-H35 HydrophobicContact CG2-CB 3.61Å; I19-A36 WeakPolarHBondContact CA-O 3.21Å; I19-E37 HydrophobicContact CD1-CG 4.47Å; I19-T64 WeakPolarHBondContact O-CA 3.38Å; I19-T64 PolarHBondContact O-OG1 3.04Å; I19-E65 HydrophobicContact CB-CB 4.29Å; I19-E65 PolarHBondContact O-N 3.16Å; I19-E65 VanDerWaalsContact O-N 3.13Å
20V91.6Very high84.9Confident0 Ų056.1 Ų56.10%031%0.307CS..EExtended strand (participates in β ladder)trans-131150.9174.1-70.30000110.4L11 A36 A38 P41 W43 L62 Y63 L77L11-V20 HydrophobicContact CD2-CG1 4.19Å; V20-A36 WeakPolarHBondContact CG2-O 3.21Å; V20-A36 PolarHBondContact N-O 3.05Å; V20-A36 PolarHBondContact O-N 3.28Å; V20-A38 HydrophobicContact CG1-CB 4.17Å; V20-A38 HydrophobicContact CG2-CB 4.48Å; V20-P41 HydrophobicContact CG2-CB 3.99Å; V20-W43 HydrophobicContact CB-CZ2 4.49Å; V20-W43 HydrophobicContact CG2-CH2 4.15Å; V20-W43 HydrophobicContact CG2-CZ2 3.96Å; V20-L62 HydrophobicContact CB-CD1 4.22Å; V20-Y63 VanDerWaalsContact CA-O 3.23Å; V20-Y63 WeakPolarHBondContact CA-O 3.15Å; V20-Y63 WeakPolarHBondContact CB-O 3.46Å; V20-L77 HydrophobicContact CG1-CD1 4.04Å
21Y92.3Very high85.3Confident21 Ų2158.2 Ų58.28%0.08231%0.31CS..EExtended strand (participates in β ladder)trans-148.3160.3174.465.2-95.8000110.2T23 Q32 H35 Y63 D74Y21-T23 HydrophobicContact CD2-CG2 4.04Å; Y21-T23 HydrophobicContact CE2-CG2 3.72Å; Y21-Q32 HydrophobicContact CD2-CG 3.72Å; Y21-Q32 VanDerWaalsContact CD2-NE2 3.26Å; Y21-Q32 HydrophobicContact CE2-CG 4.16Å; Y21-Q32 HydrophobicContact CG-CG 4.45Å; Y21-H35 AromaticContact CD1-CD2 3.77Å; Y21-H35 AromaticContact CD1-NE2 3.67Å; Y21-Y63 AromaticContact CE2-CD2 3.93Å; Y21-Y63 HydrophobicContact CE2-CD2 3.93Å; Y21-Y63 HydrophobicContact CE2-CG 4.04Å; Y21-Y63 PolarHBondContact N-O 2.76Å; Y21-Y63 VanDerWaalsContact N-O 3.1Å; Y21-Y63 PolarHBondContact O-N 3.32Å; Y21-D74 WeakPolarHBondContact CE1-OD2 3.33Å; Y21-D74 PolarHBondContact OH-OD2 3.4Å
22C92.9Very high85.6Confident0 Ų061.4 Ų61.40%032%0.324CS..EExtended strand (participates in β ladder)trans-108.6151.1174.4-74.40000111.5V5 Q32 T33 V60 K61V5-C22 HydrophobicContact CG1-CB 4.18Å; C22-Q32 WeakPolarHBondContact O-CA 3.49Å; C22-T33 HydrophobicContact CB-CG2 3.72Å; C22-T33 PolarHBondContact N-OG1 3.35Å; C22-T33 PolarHBondContact O-N 2.75Å; C22-T33 PolarHBondContact O-OG1 3.04Å; C22-V60 HydrophobicContact CB-CG1 4.14Å; C22-K61 CarbonylContact C-O 3.47Å; C22-K61 WeakPolarHBondContact CA-O 3.38Å
23T92.3Very high86.1Confident3 Ų353.1 Ų53.12%0.01829%0.288CS..EExtended strand (participates in β ladder)trans-121.3131.516871.50000110.1Y21 K30 L31 Q32 V60 K61 Y63Y21-T23 HydrophobicContact CD2-CG2 4.04Å; Y21-T23 HydrophobicContact CE2-CG2 3.72Å; T23-K30 VanDerWaalsContact CG2-CE 3.47Å; T23-K30 WeakPolarHBondContact OG1-CE 3.27Å; T23-L31 CarbonylContact C-O 3.58Å; T23-L31 VanDerWaalsContact CA-O 3.29Å; T23-L31 WeakPolarHBondContact CA-O 3.32Å; T23-Q32 HydrophobicContact CG2-CB 4.48Å; T23-Q32 HydrophobicContact CG2-CG 4.27Å; T23-V60 WeakPolarHBondContact O-CA 3.12Å; T23-K61 PolarHBondContact N-O 2.73Å; T23-K61 PolarHBondContact O-N 2.83Å; T23-Y63 HydrophobicContact CG2-CD2 3.98Å; T23-Y63 HydrophobicContact CG2-CE2 3.97Å
24M93.3Very high86.7Confident1 Ų156.7 Ų56.71%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-103.7118.8179.2-60.4172.8-76.100108.7V3 V5 K30 L31 T33 F49 V60V3-M24 HydrophobicContact CB-SD 4.14Å; V3-M24 HydrophobicContact CG1-CG 4.31Å; V3-M24 HydrophobicContact CG1-SD 3.85Å; V5-M24 HydrophobicContact CG2-CG 3.86Å; V5-M24 HydrophobicContact CG2-SD 3.75Å; M24-K30 CarbonylContact O-C 3.56Å; M24-K30 WeakPolarHBondContact O-CA 3.34Å; M24-L31 HydrophobicContact CE-CB 4.2Å; M24-L31 PolarHBondContact N-O 2.96Å; M24-L31 PolarHBondContact O-N 2.81Å; M24-T33 HydrophobicContact CE-CG2 4.18Å; M24-F49 HydrophobicContact CB-CE2 4.09Å; M24-F49 HydrophobicContact CB-CZ 3.77Å; M24-V60 HydrophobicContact CG-CG2 4.09Å
25E91.3Very high87.1Confident49 Ų4960.9 Ų60.923%0.22932%0.323CS..EExtended strand (participates in β ladder)trans-117.2124.6179.2-169.5-151.6137.200109.9H29 V58 K59E25-H29 CarbonylContact C-O 3.53Å; E25-H29 VanDerWaalsContact CA-O 3.31Å; E25-H29 WeakPolarHBondContact CA-O 3.47Å; E25-V58 WeakPolarHBondContact O-CA 3.38Å; E25-K59 HydrophobicContact CB-CB 4.3Å; E25-K59 PolarHBondContact N-O 2.83Å; E25-K59 PolarHBondContact O-N 2.77Å; E25-K59 WeakPolarHBondContact OE1-CE 3.44Å; E25-K59 IonicContact OE1-NZ 2.68Å; E25-K59 PolarHBondContact OE1-NZ 3.33Å; E25-K59 IonicContact OE2-NZ 3.4Å; E25-K59 PolarHBondContact OE2-NZ 3.44Å
26V88.4Confident87.5Confident3 Ų355.3 Ų55.32%0.01830%0.299CS..EExtended strand (participates in β ladder)trans-128.4116175.4-177.10000108.7M1 G28 H29 F49 P56 V58M1-V26 HydrophobicContact CE-CB 4.16Å; M1-V26 HydrophobicContact CE-CG1 3.48Å; M1-V26 VanDerWaalsContact CE-CG1 3.48Å; M1-V26 HydrophobicContact CE-CG2 3.59Å; V26-G28 PolarHBondContact O-N 2.89Å; V26-H29 PolarHBondContact N-O 3.05Å; V26-H29 PolarHBondContact O-N 3.2Å; V26-F49 HydrophobicContact CB-CB 4.05Å; V26-F49 HydrophobicContact CB-CD1 3.64Å; V26-F49 HydrophobicContact CB-CD2 4.4Å; V26-F49 HydrophobicContact CB-CE1 4.13Å; V26-F49 HydrophobicContact CB-CG 3.78Å; V26-F49 HydrophobicContact CG1-CB 4.19Å; V26-F49 HydrophobicContact CG1-CG 4.45Å; V26-F49 HydrophobicContact CG2-CB 4.06Å; V26-F49 HydrophobicContact CG2-CD1 3.67Å; V26-F49 HydrophobicContact CG2-CD2 3.61Å; V26-F49 HydrophobicContact CG2-CE1 3.91Å; V26-F49 HydrophobicContact CG2-CE2 3.86Å; V26-F49 HydrophobicContact CG2-CG 3.5Å; V26-F49 VanDerWaalsContact CG2-CG 3.5Å; V26-F49 HydrophobicContact CG2-CZ 4Å; V26-P56 HydrophobicContact CG1-CB 4.43Å; V26-V58 HydrophobicContact CG2-CG1 4.33Å; V26-V58 HydrophobicContact CG2-CG2 4.09Å
27D77.2Confident87.9Confident56 Ų5656.3 Ų56.330%0.29930%0.296SS..THydrogen-bonded Turntrans4830.3175.5-61.7-22.9000115.2T51 N53 V57D27-T51 PolarHBondContact OD2-OG1 3.38Å; D27-N53 PolarHBondContact OD2-ND2 3.11Å; D27-V57 PolarHBondContact OD1-N 3.02Å
28G74.2Confident88.1Confident58 Ų5852.4 Ų52.460%0.59827%0.269SS*.THydrogen-bonded Turntrans102.3-16.8-179.900000115.2V26V26-G28 PolarHBondContact O-N 2.89Å
29H82.2Confident87.9Confident131 Ų13151.3 Ų51.361%0.60627%0.272SS*.EExtended strand (participates in β ladder)trans-81.4128.7172.5-69.2-115.2000109.5E25 V26 F49E25-H29 CarbonylContact C-O 3.53Å; E25-H29 VanDerWaalsContact CA-O 3.31Å; E25-H29 WeakPolarHBondContact CA-O 3.47Å; V26-H29 PolarHBondContact N-O 3.05Å; V26-H29 PolarHBondContact O-N 3.2Å; H29-F49 HydrophobicContact CB-CD1 4.11Å; H29-F49 HydrophobicContact CB-CE1 4.35Å
30K89.4Confident87.8Confident125 Ų12556.8 Ų56.854%0.54329%0.294SS..EExtended strand (participates in β ladder)trans-121.6128.1-175.7-172.2-175.2177.3-168.10110.9T23 M24T23-K30 VanDerWaalsContact CG2-CE 3.47Å; T23-K30 WeakPolarHBondContact OG1-CE 3.27Å; M24-K30 CarbonylContact O-C 3.56Å; M24-K30 WeakPolarHBondContact O-CA 3.34Å
31L89.4Confident87.4Confident75 Ų7557.5 Ų57.539%0.39330%0.298SS..EExtended strand (participates in β ladder)trans-117.9162.4168.7-63.2177.1000109.9T23 M24 F49T23-L31 CarbonylContact C-O 3.58Å; T23-L31 VanDerWaalsContact CA-O 3.29Å; T23-L31 WeakPolarHBondContact CA-O 3.32Å; M24-L31 HydrophobicContact CE-CB 4.2Å; M24-L31 PolarHBondContact N-O 2.96Å; M24-L31 PolarHBondContact O-N 2.81Å; L31-F49 HydrophobicContact CB-CE1 4.37Å; L31-F49 HydrophobicContact CB-CZ 3.92Å; L31-F49 HydrophobicContact CD1-CE1 3.92Å; L31-F49 HydrophobicContact CD1-CE2 4.07Å; L31-F49 HydrophobicContact CD1-CZ 3.64Å; L31-F49 HydrophobicContact CG-CE1 3.85Å; L31-F49 HydrophobicContact CG-CZ 3.78Å
32Q90.2Very high87.2Confident94 Ų9462.7 Ų62.744%0.43932%0.321SS..EExtended strand (participates in β ladder)trans-126.9144.4-178.5-175.9174.6-17.200109.4Y21 C22 T23Y21-Q32 HydrophobicContact CD2-CG 3.72Å; Y21-Q32 VanDerWaalsContact CD2-NE2 3.26Å; Y21-Q32 HydrophobicContact CE2-CG 4.16Å; Y21-Q32 HydrophobicContact CG-CG 4.45Å; C22-Q32 WeakPolarHBondContact O-CA 3.49Å; T23-Q32 HydrophobicContact CG2-CB 4.48Å; T23-Q32 HydrophobicContact CG2-CG 4.27Å
33T90.9Very high87.1Confident5 Ų563.8 Ų63.83%0.03133%0.325CS..PPolyproline II helixtrans-82.4167.6171.968.30000110.8V5 C22 M24 W43V5-T33 HydrophobicContact CB-CG2 4.1Å; V5-T33 HydrophobicContact CG1-CG2 4.42Å; V5-T33 HydrophobicContact CG2-CG2 4.44Å; C22-T33 HydrophobicContact CB-CG2 3.72Å; C22-T33 PolarHBondContact N-OG1 3.35Å; C22-T33 PolarHBondContact O-N 2.75Å; C22-T33 PolarHBondContact O-OG1 3.04Å; M24-T33 HydrophobicContact CE-CG2 4.18Å; T33-W43 PolarHBondContact OG1-NE1 2.98Å
34D88.3Confident86.7Confident109 Ų10969.3 Ų69.358%0.58336%0.355SS*.PPolyproline II helixtrans-59.9166.1169-58.6-71.4000112.5W43 T45D34-W43 PolarHBondContact O-NE1 3.41Å; D34-T45 PolarHBondContact N-OG1 3.26Å; D34-T45 PolarHBondContact OD2-OG1 3.39Å
35H88.9Confident86.4Confident112 Ų11270.6 Ų70.652%0.51936%0.363SS..PPolyproline II helixtrans-85.6126.3178.4-70.187.7000109.9I19 Y21I19-H35 HydrophobicContact CG2-CB 3.61Å; Y21-H35 AromaticContact CD1-CD2 3.77Å; Y21-H35 AromaticContact CD1-NE2 3.67Å
36A88.3Confident86.3Confident13 Ų1372.4 Ų72.411%0.10737%0.371CS..EExtended strand (participates in β ladder)trans-124.1157.5179.300000111.4I19 V20 W43I19-A36 WeakPolarHBondContact CA-O 3.21Å; V20-A36 WeakPolarHBondContact CG2-O 3.21Å; V20-A36 PolarHBondContact N-O 3.05Å; V20-A36 PolarHBondContact O-N 3.28Å; A36-W43 HydrophobicContact CB-CZ2 3.93Å
37E88.3Confident86.4Confident109 Ų10972.3 Ų72.351%0.50937%0.371SS..EExtended strand (participates in β ladder)trans-74.8140.8172.4-68.8-172.1-179.400111.8I19 S39 K40I19-E37 HydrophobicContact CD1-CG 4.47Å; E37-S39 WeakPolarHBondContact CB-OG 3.35Å; E37-S39 PolarHBondContact O-N 2.7Å; E37-S39 VanDerWaalsContact O-N 3.13Å; E37-S39 PolarHBondContact OE2-OG 2.7Å; E37-K40 CarbonylContact O-C 3.55Å; E37-K40 PolarHBondContact O-N 3.31Å
38A85.9Confident87Confident11 Ų1174.4 Ų74.49%0.09138%0.382CS..THydrogen-bonded Turntrans-61.6-18.7172.600000113.2L11 V14 K18 V20 K40L11-A38 HydrophobicContact CD2-CB 4.09Å; V14-A38 HydrophobicContact CB-CB 4.41Å; V14-A38 HydrophobicContact CG1-CB 3.84Å; K18-A38 WeakPolarHBondContact O-CB 3.42Å; K18-A38 PolarHBondContact O-N 3.15Å; V20-A38 HydrophobicContact CG1-CB 4.17Å; V20-A38 HydrophobicContact CG2-CB 4.48Å; A38-K40 VanDerWaalsContact C-N 3.33Å
39S82.6Confident87.7Confident56 Ų5672.2 Ų72.239%0.39236%0.356SS..THydrogen-bonded Turntrans-63.4-35.1171.9740000113.2P16 E37P16-S39 WeakPolarHBondContact O-CB 3.43Å; P16-S39 PolarHBondContact O-N 3.4Å; E37-S39 WeakPolarHBondContact CB-OG 3.35Å; E37-S39 PolarHBondContact O-N 2.7Å; E37-S39 VanDerWaalsContact O-N 3.13Å; E37-S39 PolarHBondContact OE2-OG 2.7Å
40K85.1Confident87.8Confident162 Ų16271.5 Ų71.570%0.70437%0.366SS*.SBendtrans-147.972.2-177.7-68.5-179.3-177.21710109.5E37 A38 K42E37-K40 CarbonylContact O-C 3.55Å; E37-K40 PolarHBondContact O-N 3.31Å; A38-K40 VanDerWaalsContact C-N 3.33Å; K40-K42 VanDerWaalsContact C-N 3.3Å; K40-K42 PolarHBondContact O-N 2.8Å
41P85Confident87.5Confident14 Ų1467.8 Ų67.89%0.09135%0.353CS..  trans-74.984.2-175.431.7-35.5000110.2E7 V8 V20 W43E7-P41 WeakPolarHBondContact CA-O 3.39Å; V8-P41 HydrophobicContact CB-CB 4.17Å; V8-P41 HydrophobicContact CB-CG 4Å; V8-P41 HydrophobicContact CG1-CG 4.38Å; V8-P41 PolarHBondContact N-O 3.33Å; V20-P41 HydrophobicContact CG2-CB 3.99Å; P41-W43 HydrophobicContact CB-CH2 3.63Å; P41-W43 HydrophobicContact CB-CZ2 4.43Å; P41-W43 HydrophobicContact CB-CZ3 3.91Å; P41-W43 WeakPolarHBondContact O-CZ3 3.01Å
42K88Confident87.1Confident130 Ų13073.2 Ų73.257%0.56537%0.374SS*.EExtended strand (participates in β ladder)trans-127.5144.4178.9-57.5-153.7-178.3-144.40110.3M6 E7 K40M6-K42 CarbonylContact O-C 3.56Å; M6-K42 WeakPolarHBondContact O-CA 3.5Å; E7-K42 HydrophobicContact CB-CD 4.32Å; E7-K42 HydrophobicContact CB-CG 3.97Å; E7-K42 VanDerWaalsContact OE2-CE 3.29Å; E7-K42 WeakPolarHBondContact OE2-CE 3.26Å; E7-K42 IonicContact OE2-NZ 3.87Å; E7-K42 PolarHBondContact OE2-NZ 3.08Å; K40-K42 VanDerWaalsContact C-N 3.3Å; K40-K42 PolarHBondContact O-N 2.8Å
43W89.4Confident86.7Confident23 Ų2370.4 Ų70.49%0.08736%0.362CS..EExtended strand (participates in β ladder)trans-142166.9-179.6-58.4-85.9000108V5 M6 V8 V20 T33 D34 A36 P41 L62V5-W43 HydrophobicContact CG1-CE3 4.12Å; V5-W43 CarbonylContact O-C 3.34Å; V5-W43 WeakPolarHBondContact O-CB 3.47Å; M6-W43 CarbonylContact C-O 3.54Å; M6-W43 VanDerWaalsContact CA-O 3.32Å; M6-W43 WeakPolarHBondContact CA-O 3.46Å; M6-W43 PolarHBondContact O-N 3.48Å; V8-W43 HydrophobicContact CB-CZ3 4.2Å; V8-W43 HydrophobicContact CG2-CH2 4.28Å; V8-W43 HydrophobicContact CG2-CZ3 3.77Å; V20-W43 HydrophobicContact CB-CZ2 4.49Å; V20-W43 HydrophobicContact CG2-CH2 4.15Å; V20-W43 HydrophobicContact CG2-CZ2 3.96Å; T33-W43 PolarHBondContact OG1-NE1 2.98Å; D34-W43 PolarHBondContact O-NE1 3.41Å; A36-W43 HydrophobicContact CB-CZ2 3.93Å; P41-W43 HydrophobicContact CB-CH2 3.63Å; P41-W43 HydrophobicContact CB-CZ2 4.43Å; P41-W43 HydrophobicContact CB-CZ3 3.91Å; P41-W43 WeakPolarHBondContact O-CZ3 3.01Å; W43-L62 HydrophobicContact CH2-CD1 3.76Å; W43-L62 HydrophobicContact CZ2-CD1 4.36Å
44D84.8Confident86.1Confident120 Ų12071.9 Ų71.964%0.64237%0.372SS*.EExtended strand (participates in β ladder)trans-139.631161.7-153.425.7000109.5Q46D44-Q46 PolarHBondContact O-N 3.38Å
45T87.3Confident85.9Confident28 Ų2867 Ų6717%0.17235%0.346CS..EExtended strand (participates in β ladder)trans-76.9115.9-173.9-41.20000109.5V5 D34V5-T45 PolarHBondContact N-O 3.45Å; D34-T45 PolarHBondContact N-OG1 3.26Å; D34-T45 PolarHBondContact OD2-OG1 3.39Å
46Q89.4Confident85.7Confident86 Ų8662 Ų6240%0.40232%0.323SS..EExtended strand (participates in β ladder)trans-82.6130170.3178.2167.9-30.900110.5E2 V4 D44 D48E2-Q46 HydrophobicContact CB-CG 4.4Å; V4-Q46 HydrophobicContact CG2-CB 4.06Å; V4-Q46 HydrophobicContact CG2-CG 4.14Å; D44-Q46 PolarHBondContact O-N 3.38Å; Q46-D48 PolarHBondContact NE2-OD1 3.34Å; Q46-D48 PolarHBondContact NE2-OD2 2.82Å
47G88.9Confident85.7Confident1 Ų161.9 Ų61.91%0.0132%0.321CS..EExtended strand (participates in β ladder)trans-111.6119.6168.300000110.9V3 F49V3-G47 PolarHBondContact N-O 3.29Å; V3-G47 PolarHBondContact O-N 2.91Å; G47-F49 VanDerWaalsContact O-CD2 3.24Å; G47-F49 WeakPolarHBondContact O-CD2 3.23Å; G47-F49 WeakPolarHBondContact O-CE2 3.29Å
48D90.2Very high85.8Confident100 Ų10056.7 Ų56.754%0.53530%0.297SS..EExtended strand (participates in β ladder)trans-97.6123.8178.6-66.2-39.2000111.8Q46Q46-D48 PolarHBondContact NE2-OD1 3.34Å; Q46-D48 PolarHBondContact NE2-OD2 2.82Å
49F88.9Confident86.1Confident13 Ų1359 Ų596%0.05731%0.305CS..  trans-126.1136.8-175.8-59.5-88.5000111.2M1 V3 M24 V26 H29 L31 G47M1-F49 WeakPolarHBondContact CB-O 3.35Å; M1-F49 HydrophobicContact CE-CB 4.3Å; M1-F49 PolarHBondContact N-O 3.38Å; M1-F49 PolarHBondContact O-N 3.17Å; V3-F49 HydrophobicContact CB-CD2 4.49Å; V3-F49 HydrophobicContact CB-CE2 4.21Å; V3-F49 HydrophobicContact CG2-CD2 4.09Å; V3-F49 HydrophobicContact CG2-CE2 4.18Å; M24-F49 HydrophobicContact CB-CE2 4.09Å; M24-F49 HydrophobicContact CB-CZ 3.77Å; V26-F49 HydrophobicContact CB-CB 4.05Å; V26-F49 HydrophobicContact CB-CD1 3.64Å; V26-F49 HydrophobicContact CB-CD2 4.4Å; V26-F49 HydrophobicContact CB-CE1 4.13Å; V26-F49 HydrophobicContact CB-CG 3.78Å; V26-F49 HydrophobicContact CG1-CB 4.19Å; V26-F49 HydrophobicContact CG1-CG 4.45Å; V26-F49 HydrophobicContact CG2-CB 4.06Å; V26-F49 HydrophobicContact CG2-CD1 3.67Å; V26-F49 HydrophobicContact CG2-CD2 3.61Å; V26-F49 HydrophobicContact CG2-CE1 3.91Å; V26-F49 HydrophobicContact CG2-CE2 3.86Å; V26-F49 HydrophobicContact CG2-CG 3.5Å; V26-F49 VanDerWaalsContact CG2-CG 3.5Å; V26-F49 HydrophobicContact CG2-CZ 4Å; H29-F49 HydrophobicContact CB-CD1 4.11Å; H29-F49 HydrophobicContact CB-CE1 4.35Å; L31-F49 HydrophobicContact CB-CE1 4.37Å; L31-F49 HydrophobicContact CB-CZ 3.92Å; L31-F49 HydrophobicContact CD1-CE1 3.92Å; L31-F49 HydrophobicContact CD1-CE2 4.07Å; L31-F49 HydrophobicContact CD1-CZ 3.64Å; L31-F49 HydrophobicContact CG-CE1 3.85Å; L31-F49 HydrophobicContact CG-CZ 3.78Å; G47-F49 VanDerWaalsContact O-CD2 3.24Å; G47-F49 WeakPolarHBondContact O-CD2 3.23Å; G47-F49 WeakPolarHBondContact O-CE2 3.29Å
50S84.8Confident86.6Confident116 Ų11656.3 Ų56.381%0.81129%0.286SS*.  trans-103.1132.2166.8-172.70000109.4
51T83.5Confident87Confident46 Ų4651.1 Ų51.128%0.28226%0.263SS..  trans-135.2145.9177.8176.70000110.8D27 N53 P56D27-T51 PolarHBondContact OD2-OG1 3.38Å; T51-N53 PolarHBondContact OG1-N 2.77Å; T51-P56 HydrophobicContact CG2-CB 3.87Å; T51-P56 HydrophobicContact CG2-CG 4.15Å
52K81.3Confident87.3Confident189 Ų18950.5 Ų50.582%0.82226%0.259SS*.  trans-96.2-3.6172.6-59.1-176.4-178.1-178.60112.6
53N81.3Confident87.4Confident35 Ų3545.7 Ų45.719%0.18724%0.238CC..  trans-89.2123.8-178.9-66.1-53.8000110.3D27 T51 L55 P56 A164D27-N53 PolarHBondContact OD2-ND2 3.11Å; T51-N53 PolarHBondContact OG1-N 2.77Å; N53-L55 PolarHBondContact O-N 3.03Å; N53-P56 WeakPolarHBondContact O-CD 3.34Å; N53-A164 PolarHBondContact OD1-N 3.09Å
54P77.6Confident87.4Confident37 Ų3745.1 Ų45.124%0.2424%0.237CC..SBendtrans-65.3-16.6175.6-25.737.4000114.5F159P54-F159 HydrophobicContact CB-CD1 4.34Å; P54-F159 HydrophobicContact CB-CD2 4.42Å; P54-F159 HydrophobicContact CB-CG 4.22Å; P54-F159 HydrophobicContact CG-CD1 3.76Å; P54-F159 HydrophobicContact CG-CD2 4.45Å; P54-F159 HydrophobicContact CG-CE1 3.73Å; P54-F159 HydrophobicContact CG-CE2 4.42Å; P54-F159 HydrophobicContact CG-CG 4.13Å; P54-F159 HydrophobicContact CG-CZ 4.08Å
55L84.1Confident87.3Confident7 Ų742.3 Ų42.34%0.03722%0.22CC..SBendtrans-126.779.7171.2-73.7176.5000109N53 T85 F143 Q161N53-L55 PolarHBondContact O-N 3.03Å; L55-T85 HydrophobicContact CD2-CG2 4.25Å; L55-F143 HydrophobicContact CD1-CB 3.7Å; L55-F143 HydrophobicContact CD1-CD1 3.85Å; L55-F143 HydrophobicContact CD1-CG 3.83Å; L55-F143 HydrophobicContact CD2-CD1 3.66Å; L55-F143 HydrophobicContact CD2-CD2 3.95Å; L55-F143 HydrophobicContact CD2-CE1 3.67Å; L55-F143 HydrophobicContact CD2-CE2 3.97Å; L55-F143 HydrophobicContact CD2-CG 3.79Å; L55-F143 HydrophobicContact CD2-CZ 3.82Å; L55-F143 HydrophobicContact CG-CB 4.42Å; L55-F143 HydrophobicContact CG-CD1 3.63Å; L55-F143 HydrophobicContact CG-CE1 3.95Å; L55-F143 HydrophobicContact CG-CG 4Å; L55-Q161 HydrophobicContact CD1-CG 4.22Å
56P86.1Confident86.6Confident7 Ų743.6 Ų43.65%0.04523%0.227CC..  trans-71.8158.1176.331.7-33.1000110.5M1 V26 T51 N53 P84M1-P56 HydrophobicContact SD-CG 4.13Å; V26-P56 HydrophobicContact CG1-CB 4.43Å; T51-P56 HydrophobicContact CG2-CB 3.87Å; T51-P56 HydrophobicContact CG2-CG 4.15Å; N53-P56 WeakPolarHBondContact O-CD 3.34Å; P56-P84 HydrophobicContact CG-CG 4.23Å
57V87.9Confident85.3Confident10 Ų1047 Ų476%0.06124%0.241CC..  trans-118.1110.9175-178.40000109.1D27 K59 I81 K162D27-V57 PolarHBondContact OD1-N 3.02Å; V57-K59 HydrophobicContact CG1-CG 4.31Å; V57-I81 HydrophobicContact CG1-CG2 3.44Å; V57-I81 VanDerWaalsContact CG1-CG2 3.44Å; V57-K162 HydrophobicContact CG2-CG 4.44Å
58V90Very high83.8Confident0 Ų050 Ų500%026%0.261CS..EExtended strand (participates in β ladder)trans-88.2120.4174.6-175.70000108M1 V3 E25 V26 V60 I81 I82 P84 I114M1-V58 HydrophobicContact CE-CG2 3.58Å; M1-V58 HydrophobicContact SD-CG2 4.29Å; V3-V58 HydrophobicContact CG1-CG1 4.18Å; V3-V58 HydrophobicContact CG2-CG1 4.09Å; V3-V58 HydrophobicContact CG2-CG2 4.33Å; E25-V58 WeakPolarHBondContact O-CA 3.38Å; V26-V58 HydrophobicContact CG2-CG1 4.33Å; V26-V58 HydrophobicContact CG2-CG2 4.09Å; V58-V60 HydrophobicContact CG1-CG2 4.09Å; V58-I81 WeakPolarHBondContact O-CA 3.43Å; V58-I82 HydrophobicContact CB-CB 4.45Å; V58-I82 PolarHBondContact N-O 2.77Å; V58-I82 PolarHBondContact O-N 2.81Å; V58-P84 HydrophobicContact CG2-CG 3.78Å; V58-I114 HydrophobicContact CB-CD1 4.46Å; V58-I114 HydrophobicContact CG1-CD1 4.49Å; V58-I114 HydrophobicContact CG2-CD1 4.32Å
59K92.4Very high81.9Confident59 Ų5954.3 Ų54.326%0.25728%0.281SS..EExtended strand (participates in β ladder)trans-109.7125.2169.5-46-177.5-146.4139.70108.5E25 V57 V80 I81E25-K59 HydrophobicContact CB-CB 4.3Å; E25-K59 PolarHBondContact N-O 2.83Å; E25-K59 PolarHBondContact O-N 2.77Å; E25-K59 WeakPolarHBondContact OE1-CE 3.44Å; E25-K59 IonicContact OE1-NZ 2.68Å; E25-K59 PolarHBondContact OE1-NZ 3.33Å; E25-K59 IonicContact OE2-NZ 3.4Å; E25-K59 PolarHBondContact OE2-NZ 3.44Å; V57-K59 HydrophobicContact CG1-CG 4.31Å; K59-V80 WeakPolarHBondContact CA-O 3.33Å; K59-I81 HydrophobicContact CG-CG1 4.24Å; K59-I81 HydrophobicContact CG-CG2 4.49Å
60V92.9Very high80.2Confident0 Ų060.7 Ų60.70%031%0.314CS..EExtended strand (participates in β ladder)trans-113.9127169.9-175.80000108.7V5 C22 T23 M24 V58 K79 V80 I110 I112V5-V60 HydrophobicContact CG2-CG1 3.98Å; V5-V60 HydrophobicContact CG2-CG2 4.45Å; C22-V60 HydrophobicContact CB-CG1 4.14Å; T23-V60 WeakPolarHBondContact O-CA 3.12Å; M24-V60 HydrophobicContact CG-CG2 4.09Å; V58-V60 HydrophobicContact CG1-CG2 4.09Å; V60-K79 CarbonylContact O-C 3.54Å; V60-K79 WeakPolarHBondContact O-CA 3.48Å; V60-V80 HydrophobicContact CB-CG1 3.75Å; V60-V80 PolarHBondContact N-O 3.1Å; V60-V80 PolarHBondContact O-N 2.83Å; V60-I110 HydrophobicContact CG1-CD1 4.01Å; V60-I112 HydrophobicContact CB-CD1 3.95Å; V60-I112 HydrophobicContact CG1-CD1 4.24Å; V60-I112 HydrophobicContact CG2-CD1 3.83Å
61K93.3Very high78.7Confident53 Ų5357.3 Ų57.323%0.2329%0.293CS..EExtended strand (participates in β ladder)trans-117.2138.3179-65.7-173.8171.2-1580109.8C22 T23 Y63 E76 K79C22-K61 CarbonylContact C-O 3.47Å; C22-K61 WeakPolarHBondContact CA-O 3.38Å; T23-K61 PolarHBondContact N-O 2.73Å; T23-K61 PolarHBondContact O-N 2.83Å; K61-Y63 HydrophobicContact CB-CD2 4.13Å; K61-Y63 HydrophobicContact CB-CE2 3.52Å; K61-Y63 HydrophobicContact CD-CE2 3.88Å; K61-Y63 VanDerWaalsContact CD-OH 3.25Å; K61-Y63 WeakPolarHBondContact CD-OH 3.06Å; K61-Y63 HydrophobicContact CG-CE2 4.41Å; K61-Y63 PolarHBondContact NZ-OH 2.84Å; K61-E76 WeakPolarHBondContact CD-OE2 3.32Å; K61-E76 VanDerWaalsContact CE-OE2 3.25Å; K61-E76 WeakPolarHBondContact CE-OE2 3.32Å; K61-E76 IonicContact NZ-OE2 2.58Å; K61-E76 PolarHBondContact NZ-OE2 3.16Å; K61-K79 HydrophobicContact CG-CB 3.99Å
62L91.6Very high77.4Confident0 Ų064.7 Ų64.70%032%0.322CS..EExtended strand (participates in β ladder)trans-100.5131.8173.2177.569.9000109.4V8 V20 W43 L77 G78 M97 L108V8-L62 HydrophobicContact CG1-CD2 4.1Å; V8-L62 HydrophobicContact CG2-CD1 4.45Å; V8-L62 HydrophobicContact CG2-CD2 4.3Å; V20-L62 HydrophobicContact CB-CD1 4.22Å; W43-L62 HydrophobicContact CH2-CD1 3.76Å; W43-L62 HydrophobicContact CZ2-CD1 4.36Å; L62-L77 HydrophobicContact CB-CB 4.48Å; L62-L77 HydrophobicContact CD2-CB 4.07Å; L62-L77 HydrophobicContact CD2-CD1 4.04Å; L62-L77 HydrophobicContact CG-CB 4.15Å; L62-L77 HydrophobicContact CG-CD1 4.03Å; L62-L77 PolarHBondContact O-N 3.01Å; L62-G78 PolarHBondContact N-O 3.18Å; L62-M97 HydrophobicContact CB-CE 3.87Å; L62-M97 HydrophobicContact CB-SD 4.43Å; L62-L108 HydrophobicContact CD2-CD2 4.2Å
63Y90.2Very high76.8Confident30 Ų3064 Ų6412%0.11832%0.321CS..EExtended strand (participates in β ladder)trans-123.7156.9180-72.4-86.9000111V20 Y21 T23 K61 D74 K75 E76V20-Y63 VanDerWaalsContact CA-O 3.23Å; V20-Y63 WeakPolarHBondContact CA-O 3.15Å; V20-Y63 WeakPolarHBondContact CB-O 3.46Å; Y21-Y63 AromaticContact CE2-CD2 3.93Å; Y21-Y63 HydrophobicContact CE2-CD2 3.93Å; Y21-Y63 HydrophobicContact CE2-CG 4.04Å; Y21-Y63 PolarHBondContact N-O 2.76Å; Y21-Y63 VanDerWaalsContact N-O 3.1Å; Y21-Y63 PolarHBondContact O-N 3.32Å; T23-Y63 HydrophobicContact CG2-CD2 3.98Å; T23-Y63 HydrophobicContact CG2-CE2 3.97Å; K61-Y63 HydrophobicContact CB-CD2 4.13Å; K61-Y63 HydrophobicContact CB-CE2 3.52Å; K61-Y63 HydrophobicContact CD-CE2 3.88Å; K61-Y63 VanDerWaalsContact CD-OH 3.25Å; K61-Y63 WeakPolarHBondContact CD-OH 3.06Å; K61-Y63 HydrophobicContact CG-CE2 4.41Å; K61-Y63 PolarHBondContact NZ-OH 2.84Å; Y63-D74 HydrophobicContact CD1-CB 4Å; Y63-D74 WeakPolarHBondContact CD1-O 3.26Å; Y63-K75 WeakPolarHBondContact CA-O 3.38Å; Y63-E76 HydrophobicContact CD1-CB 4.24Å; Y63-E76 HydrophobicContact CE1-CB 3.84Å
64T88.9Confident76.7Confident11 Ų1164.6 Ų64.67%0.06732%0.324CS..EExtended strand (participates in β ladder)trans-124.4140.1164.6-174.50000110.8V14 I19 V66 K75 L77V14-T64 HydrophobicContact CG2-CG2 4.29Å; I19-T64 WeakPolarHBondContact O-CA 3.38Å; I19-T64 PolarHBondContact O-OG1 3.04Å; T64-V66 PolarHBondContact O-N 3.02Å; T64-K75 HydrophobicContact CG2-CB 4.04Å; T64-K75 PolarHBondContact N-O 3.47Å; T64-K75 VanDerWaalsContact N-O 3.14Å; T64-K75 PolarHBondContact O-N 3.21Å; T64-L77 HydrophobicContact CG2-CD1 4.07Å; T64-L77 HydrophobicContact CG2-CD2 3.9Å; T64-L77 HydrophobicContact CG2-CG 4.09Å
65E82.1Confident77.1Confident60 Ų6068.1 Ų68.128%0.2834%0.336SS..  trans-69.2121.3-175.1-168.1-159.6171.900111.8I19 K67 D74I19-E65 HydrophobicContact CB-CB 4.29Å; I19-E65 PolarHBondContact O-N 3.16Å; I19-E65 VanDerWaalsContact O-N 3.13Å; E65-K67 HydrophobicContact CG-CG 4.38Å; E65-K67 WeakPolarHBondContact OE1-CE 3.46Å; E65-K67 WeakPolarHBondContact OE2-CE 3.43Å; E65-K67 IonicContact OE2-NZ 3.63Å; E65-D74 VanDerWaalsContact CA-OD1 3.31Å; E65-D74 WeakPolarHBondContact CA-OD1 3.45Å
66V74.4Confident77.3Confident55 Ų5570 Ų7033%0.33334%0.344SS..  trans-103.391.2178.9-174.10000110.7T64 S68 A71 D74 K75T64-V66 PolarHBondContact O-N 3.02Å; V66-S68 PolarHBondContact O-N 2.95Å; V66-A71 HydrophobicContact CB-CB 4.41Å; V66-A71 HydrophobicContact CG1-CB 3.81Å; V66-D74 PolarHBondContact N-OD1 3.11Å; V66-K75 HydrophobicContact CG2-CB 4.02Å
67K61.6Low77.3Confident159 Ų15969.8 Ų69.869%0.69134%0.343SS*.  trans-66.528.2178.2-60.4-168.9173.7-174.30116.1E65E65-K67 HydrophobicContact CG-CG 4.38Å; E65-K67 WeakPolarHBondContact OE1-CE 3.46Å; E65-K67 WeakPolarHBondContact OE2-CE 3.43Å; E65-K67 IonicContact OE2-NZ 3.63Å
68S57.3Low77.3Confident62 Ų6269.3 Ų69.343%0.43434%0.34SS..  trans-102.9125179.2-177.50000110.5V66 I70 A71V66-S68 PolarHBondContact O-N 2.95Å; S68-I70 PolarHBondContact O-N 3.49Å; S68-A71 PolarHBondContact O-N 3.47Å; S68-A71 VanDerWaalsContact O-N 3.08Å
69M50.7Low77.4Confident191 Ų19173.3 Ų73.394%0.94136%0.357SS*.THydrogen-bonded Turntrans-61.4-3.2-178.1-63.3-17177.700115.4
70I51.6Low77.4Confident147 Ų14770.9 Ų70.975%0.75435%0.348SS*.THydrogen-bonded Turntrans-105.7-14.2-177.2-52.2176.2000111.3S68S68-I70 PolarHBondContact O-N 3.49Å
71A53.9Low77.4Confident45 Ų4575.6 Ų75.637%0.37237%0.372SS..  trans-97.3112178.900000110.5V66 S68V66-A71 HydrophobicContact CB-CB 4.41Å; V66-A71 HydrophobicContact CG1-CB 3.81Å; S68-A71 PolarHBondContact O-N 3.47Å; S68-A71 VanDerWaalsContact O-N 3.08Å
72F55.9Low77.2Confident202 Ų20273.7 Ų73.789%0.88636%0.364SS*.SBendtrans-84.2-7.2-178.9-69-86.3000114.4
73E68.4Low76.9Confident173 Ų17377.8 Ų77.881%0.80838%0.383SS*.SBendtrans-138.9142.5176.6-64.9-169.8162.500111.1
74D80.4Confident76.7Confident48 Ų4876.7 Ų76.726%0.25738%0.38SS..  trans-68.8151.7174.5-79.1-38000112.7Y21 Y63 E65 V66 E76Y21-D74 WeakPolarHBondContact CE1-OD2 3.33Å; Y21-D74 PolarHBondContact OH-OD2 3.4Å; Y63-D74 HydrophobicContact CD1-CB 4Å; Y63-D74 WeakPolarHBondContact CD1-O 3.26Å; E65-D74 VanDerWaalsContact CA-OD1 3.31Å; E65-D74 WeakPolarHBondContact CA-OD1 3.45Å; V66-D74 PolarHBondContact N-OD1 3.11Å; D74-E76 PolarHBondContact O-N 3.47Å
75K85.2Confident76.4Confident111 Ų11177.5 Ų77.548%0.48339%0.385SS..EExtended strand (participates in β ladder)trans-78.3112.7-174.2-174.7-176.2178.1-170.50111.3Y63 T64 V66 L77Y63-K75 WeakPolarHBondContact CA-O 3.38Å; T64-K75 HydrophobicContact CG2-CB 4.04Å; T64-K75 PolarHBondContact N-O 3.47Å; T64-K75 VanDerWaalsContact N-O 3.14Å; T64-K75 PolarHBondContact O-N 3.21Å; V66-K75 HydrophobicContact CG2-CB 4.02Å; K75-L77 HydrophobicContact CD-CD2 4.48Å; K75-L77 PolarHBondContact O-N 3.07Å
76E88.1Confident76.2Confident46 Ų4675.8 Ų75.822%0.21538%0.379CS..EExtended strand (participates in β ladder)trans-63.2121.3168.8-173.5178.5131.500109.8K61 Y63 D74 K79K61-E76 WeakPolarHBondContact CD-OE2 3.32Å; K61-E76 VanDerWaalsContact CE-OE2 3.25Å; K61-E76 WeakPolarHBondContact CE-OE2 3.32Å; K61-E76 IonicContact NZ-OE2 2.58Å; K61-E76 PolarHBondContact NZ-OE2 3.16Å; Y63-E76 HydrophobicContact CD1-CB 4.24Å; Y63-E76 HydrophobicContact CE1-CB 3.84Å; D74-E76 PolarHBondContact O-N 3.47Å; E76-K79 WeakPolarHBondContact OE1-CD 3.45Å
77L86.8Confident76.2Confident3 Ų376.6 Ų76.62%0.01638%0.381CS..EExtended strand (participates in β ladder)trans-94.9-32.4179.8-64.8174.7000112.4L11 V14 V20 L62 T64 K75 L99 P100L11-L77 HydrophobicContact CD1-CD1 3.98Å; V14-L77 HydrophobicContact CG2-CD1 3.9Å; V14-L77 HydrophobicContact CG2-CD2 3.68Å; V14-L77 HydrophobicContact CG2-CG 4.46Å; V20-L77 HydrophobicContact CG1-CD1 4.04Å; L62-L77 HydrophobicContact CB-CB 4.48Å; L62-L77 HydrophobicContact CD2-CB 4.07Å; L62-L77 HydrophobicContact CD2-CD1 4.04Å; L62-L77 HydrophobicContact CG-CB 4.15Å; L62-L77 HydrophobicContact CG-CD1 4.03Å; L62-L77 PolarHBondContact O-N 3.01Å; T64-L77 HydrophobicContact CG2-CD1 4.07Å; T64-L77 HydrophobicContact CG2-CD2 3.9Å; T64-L77 HydrophobicContact CG2-CG 4.09Å; K75-L77 HydrophobicContact CD-CD2 4.48Å; K75-L77 PolarHBondContact O-N 3.07Å; L77-L99 WeakPolarHBondContact O-CD2 3.4Å; L77-P100 WeakPolarHBondContact O-CD 3.41Å
78G88.3Confident76.8Confident0 Ų071 Ų710%036%0.361CS..EExtended strand (participates in β ladder)trans-175.6159.717900000111.8L62 M97 T98L62-G78 PolarHBondContact N-O 3.18Å; G78-M97 WeakPolarHBondContact O-CE 3.48Å; G78-T98 WeakPolarHBondContact CA-O 3.45Å
79K92.1Very high77.3Confident84 Ų8470.2 Ų70.237%0.36536%0.359SS..EExtended strand (participates in β ladder)trans-136.9145.4177.167-174.8168.4-154.10112.4V60 K61 E76 T98V60-K79 CarbonylContact O-C 3.54Å; V60-K79 WeakPolarHBondContact O-CA 3.48Å; K61-K79 HydrophobicContact CG-CB 3.99Å; E76-K79 WeakPolarHBondContact OE1-CD 3.45Å; K79-T98 PolarHBondContact N-O 3.38Å; K79-T98 WeakPolarHBondContact O-CB 3.43Å; K79-T98 PolarHBondContact O-N 3.21Å
80V92.6Very high78.5Confident8 Ų870.3 Ų70.35%0.04835%0.349CS..EExtended strand (participates in β ladder)trans-118.8143.8167.863.80000108.9K59 V60 I82 Y95 I110 I112K59-V80 WeakPolarHBondContact CA-O 3.33Å; V60-V80 HydrophobicContact CB-CG1 3.75Å; V60-V80 PolarHBondContact N-O 3.1Å; V60-V80 PolarHBondContact O-N 2.83Å; V80-I82 HydrophobicContact CG1-CD1 4.31Å; V80-I82 HydrophobicContact CG1-CG1 4.47Å; V80-I82 HydrophobicContact CG2-CD1 4.14Å; V80-I82 HydrophobicContact CG2-CG1 3.71Å; V80-Y95 HydrophobicContact CG2-CD1 4.49Å; V80-Y95 HydrophobicContact CG2-CG 4.22Å; V80-I110 HydrophobicContact CB-CG2 4.33Å; V80-I110 HydrophobicContact CG1-CG2 3.86Å; V80-I112 HydrophobicContact CG1-CD1 3.87Å
81I91.2Very high80Confident99 Ų9966.6 Ų66.651%0.50834%0.336SS..EExtended strand (participates in β ladder)trans-122.6115.7173.3-57.1-178.6000106.8V57 V58 K59V57-I81 HydrophobicContact CG1-CG2 3.44Å; V57-I81 VanDerWaalsContact CG1-CG2 3.44Å; V58-I81 WeakPolarHBondContact O-CA 3.43Å; K59-I81 HydrophobicContact CG-CG1 4.24Å; K59-I81 HydrophobicContact CG-CG2 4.49Å
82I89.5Confident81.5Confident14 Ų1466.8 Ų66.87%0.07233%0.333CS..EExtended strand (participates in β ladder)trans-114.2140-176.6-50.9171000108V58 V80 P84 Y95 I112 I114V58-I82 HydrophobicContact CB-CB 4.45Å; V58-I82 PolarHBondContact N-O 2.77Å; V58-I82 PolarHBondContact O-N 2.81Å; V80-I82 HydrophobicContact CG1-CD1 4.31Å; V80-I82 HydrophobicContact CG1-CG1 4.47Å; V80-I82 HydrophobicContact CG2-CD1 4.14Å; V80-I82 HydrophobicContact CG2-CG1 3.71Å; I82-P84 WeakPolarHBondContact O-CD 3.39Å; I82-Y95 HydrophobicContact CD1-CD1 3.86Å; I82-Y95 HydrophobicContact CD1-CD2 3.66Å; I82-Y95 HydrophobicContact CD1-CE1 3.9Å; I82-Y95 HydrophobicContact CD1-CE2 3.67Å; I82-Y95 HydrophobicContact CD1-CG 3.76Å; I82-Y95 HydrophobicContact CG1-CD1 3.95Å; I82-Y95 HydrophobicContact CG1-CE1 4.05Å; I82-Y95 HydrophobicContact CG1-CG 4.26Å; I82-Y95 HydrophobicContact CG2-CE1 4Å; I82-I112 HydrophobicContact CD1-CB 4.5Å; I82-I112 HydrophobicContact CD1-CD1 3.92Å; I82-I114 HydrophobicContact CB-CD1 4.06Å; I82-I114 HydrophobicContact CD1-CD1 3.93Å; I82-I114 HydrophobicContact CG2-CD1 3.69Å
83Q86.3Confident83.1Confident86 Ų8661.1 Ų61.140%0.40231%0.31SS..  trans-116.977.5177.9-62.9-170-14.800108.5
84P86Confident84.2Confident6 Ų657.2 Ų57.24%0.03929%0.288CS..  trans-68.2153.2-178.132.5-36.9000110.5M1 P56 V58 I82 I114 V116M1-P84 HydrophobicContact SD-CG 4.05Å; P56-P84 HydrophobicContact CG-CG 4.23Å; V58-P84 HydrophobicContact CG2-CG 3.78Å; I82-P84 WeakPolarHBondContact O-CD 3.39Å; P84-I114 HydrophobicContact CB-CD1 4.31Å; P84-I114 HydrophobicContact CB-CG2 3.77Å; P84-I114 HydrophobicContact CG-CD1 4.43Å; P84-I114 HydrophobicContact CG-CG2 4.05Å; P84-V116 HydrophobicContact CB-CG2 3.87Å; P84-V116 HydrophobicContact CG-CG2 4.27Å
85T82.1Confident84.7Confident28 Ų2857.4 Ų57.417%0.17229%0.285CS..  trans-125.1159.2172.266.50000108.7L55 N87 C88 F143L55-T85 HydrophobicContact CD2-CG2 4.25Å; T85-N87 PolarHBondContact O-N 3.19Å; T85-C88 WeakPolarHBondContact O-CB 3.46Å; T85-C88 PolarHBondContact O-N 3.03Å; T85-C88 PolarHBondContact O-SG 3.03Å; T85-F143 HydrophobicContact CG2-CE2 3.79Å; T85-F143 HydrophobicContact CG2-CZ 4.01Å
86P78.1Confident85Confident25 Ų2556.3 Ų56.316%0.16229%0.288CS..THydrogen-bonded Turntrans-56.6-11.7176-27.736.1000115.9V116 K118 L122P86-V116 HydrophobicContact CB-CG1 4.39Å; P86-V116 HydrophobicContact CG-CG1 4.05Å; P86-K118 HydrophobicContact CB-CB 4.34Å; P86-K118 HydrophobicContact CB-CG 4.38Å; P86-L122 HydrophobicContact CB-CD2 4.26Å; P86-L122 HydrophobicContact CG-CD2 3.87Å
87N74.7Confident85.1Confident71 Ų7154.5 Ų54.538%0.3828%0.279SS..THydrogen-bonded Turntrans-106.99.3177.5-66.3-13000113.2T85 C125T85-N87 PolarHBondContact O-N 3.19Å; N87-C125 PolarHBondContact ND2-O 3.21Å
88C73.3Confident85.2Confident41 Ų4158.7 Ų58.728%0.27731%0.305SS..SBendtrans-66.5155.3178.168.60000112.2T85 R90T85-C88 WeakPolarHBondContact O-CB 3.46Å; T85-C88 PolarHBondContact O-N 3.03Å; T85-C88 PolarHBondContact O-SG 3.03Å; C88-R90 PolarHBondContact O-N 2.89Å
89A68.8Low85.1Confident47 Ų4761.1 Ų61.139%0.38832%0.318SS..  trans-59.5134.2176.400000110.6S91A89-S91 VanDerWaalsContact C-N 3.26Å
90R75.8Confident84.5Confident193 Ų19359.1 Ų59.173%0.72831%0.313SS*.SBendtrans-82.1-6.1177.2-62.5-177.2179.9-169.8-1.8113.1C88C88-R90 PolarHBondContact O-N 2.89Å
91S82.3Confident83.6Confident68 Ų6869.6 Ų69.648%0.47636%0.358SS..SBendtrans-78.9145.4176.148.70000111.4A89 E93A89-S91 VanDerWaalsContact C-N 3.26Å; S91-E93 PolarHBondContact O-N 3.02Å
92P86.6Confident82.3Confident49 Ų4969.6 Ų69.632%0.31837%0.367SS..  trans-65.9125.9176.1-15.527.1000112.4M6 R111 A113M6-P92 HydrophobicContact SD-CB 3.47Å; M6-P92 WeakPolarHBondContact SD-CB 3.32Å; M6-P92 HydrophobicContact SD-CG 3.52Å; M6-P92 VanDerWaalsContact SD-CG 3.52Å; P92-R111 HydrophobicContact CB-CG 4.1Å; P92-A113 HydrophobicContact CB-CB 4.05Å; P92-A113 HydrophobicContact CG-CB 4.03Å
93E89.3Confident81.3Confident84 Ų8470.7 Ų70.739%0.39338%0.376SS..EExtended strand (participates in β ladder)trans-109.5156.3-178.7-72.5-177.3167.800112.3S91 Y95 R111 I112S91-E93 PolarHBondContact O-N 3.02Å; E93-Y95 HydrophobicContact CB-CE2 3.76Å; E93-Y95 PolarHBondContact OE2-OH 3.42Å; E93-R111 VanDerWaalsContact O-CA 3.31Å; E93-R111 WeakPolarHBondContact O-CA 3.43Å; E93-I112 PolarHBondContact N-O 3.47Å; E93-I112 PolarHBondContact O-N 3.23Å
94W91Very high80.4Confident91 Ų9174.7 Ų74.735%0.34540%0.395SS..EExtended strand (participates in β ladder)trans-96.2112.7176.5-77.3103.8000111.4E7 Q9 K109 R111E7-W94 HydrophobicContact CG-CH2 3.59Å; E7-W94 HydrophobicContact CG-CZ2 4.09Å; E7-W94 HydrophobicContact CG-CZ3 4.41Å; E7-W94 WeakPolarHBondContact OE1-CZ2 3.44Å; Q9-W94 HydrophobicContact CB-CH2 4.16Å; Q9-W94 HydrophobicContact CB-CZ3 3.99Å; Q9-W94 HydrophobicContact CG-CH2 3.47Å; Q9-W94 VanDerWaalsContact CG-CH2 3.47Å; Q9-W94 HydrophobicContact CG-CZ2 4.34Å; Q9-W94 HydrophobicContact CG-CZ3 3.83Å; Q9-W94 VanDerWaalsContact NE2-CH2 3.27Å; Q9-W94 VanDerWaalsContact NE2-CZ2 3.31Å; W94-K109 HydrophobicContact CE3-CB 3.89Å; W94-K109 HydrophobicContact CZ3-CB 4.36Å; W94-R111 HydrophobicContact CD2-CB 3.94Å; W94-R111 HydrophobicContact CD2-CG 4.23Å; W94-R111 HydrophobicContact CE3-CB 3.77Å; W94-R111 HydrophobicContact CH2-CB 3.8Å; W94-R111 HydrophobicContact CZ2-CB 3.97Å; W94-R111 HydrophobicContact CZ2-CG 4.26Å; W94-R111 HydrophobicContact CZ3-CB 3.71Å
95Y91.1Very high80Confident52 Ų5274.8 Ų74.820%0.20440%0.395CS..EExtended strand (participates in β ladder)trans-102131177.7-58.8-86.6000111.4V80 I82 E93 K109 I110 I112V80-Y95 HydrophobicContact CG2-CD1 4.49Å; V80-Y95 HydrophobicContact CG2-CG 4.22Å; I82-Y95 HydrophobicContact CD1-CD1 3.86Å; I82-Y95 HydrophobicContact CD1-CD2 3.66Å; I82-Y95 HydrophobicContact CD1-CE1 3.9Å; I82-Y95 HydrophobicContact CD1-CE2 3.67Å; I82-Y95 HydrophobicContact CD1-CG 3.76Å; I82-Y95 HydrophobicContact CG1-CD1 3.95Å; I82-Y95 HydrophobicContact CG1-CE1 4.05Å; I82-Y95 HydrophobicContact CG1-CG 4.26Å; I82-Y95 HydrophobicContact CG2-CE1 4Å; E93-Y95 HydrophobicContact CB-CE2 3.76Å; E93-Y95 PolarHBondContact OE2-OH 3.42Å; Y95-K109 CarbonylContact O-C 3.5Å; Y95-K109 VanDerWaalsContact O-CA 3.27Å; Y95-K109 WeakPolarHBondContact O-CA 3.38Å; Y95-I110 PolarHBondContact N-O 3.11Å; Y95-I110 PolarHBondContact O-N 3.08Å; Y95-I112 HydrophobicContact CD2-CB 4Å; Y95-I112 HydrophobicContact CD2-CD1 4.48Å; Y95-I112 HydrophobicContact CD2-CG1 4.31Å; Y95-I112 HydrophobicContact CE2-CB 3.97Å
96T90.8Very high79.4Confident87 Ų8781.2 Ų81.253%0.53442%0.423SS..EExtended strand (participates in β ladder)trans-73.5128.4172.1-54.40000110
97M89.9Confident79.4Confident8 Ų886.1 Ų86.14%0.03945%0.448CS..PPolyproline II helixtrans-85.4138.1-179.9-57.2-168.485.300111.3L62 G78 L99 L108 I110L62-M97 HydrophobicContact CB-CE 3.87Å; L62-M97 HydrophobicContact CB-SD 4.43Å; G78-M97 WeakPolarHBondContact O-CE 3.48Å; M97-L99 PolarHBondContact O-N 2.87Å; M97-L108 HydrophobicContact CB-CB 4.39Å; M97-L108 HydrophobicContact CB-CD2 4.07Å; M97-L108 HydrophobicContact CB-CG 4.27Å; M97-L108 HydrophobicContact CG-CD2 4.32Å; M97-L108 HydrophobicContact CG-CG 4.32Å; M97-L108 PolarHBondContact N-O 3.5Å; M97-L108 HydrophobicContact SD-CD2 3.62Å; M97-L108 HydrophobicContact SD-CG 3.92Å; M97-I110 HydrophobicContact CE-CB 4.48Å; M97-I110 HydrophobicContact CE-CD1 4.2Å; M97-I110 HydrophobicContact CE-CG2 4.24Å; M97-I110 HydrophobicContact CG-CB 4.06Å; M97-I110 HydrophobicContact CG-CG2 3.68Å; M97-I110 HydrophobicContact SD-CB 3.86Å; M97-I110 HydrophobicContact SD-CD1 4.41Å; M97-I110 HydrophobicContact SD-CG2 3.99Å
98T89.1Confident80Confident91 Ų9182.8 Ų82.856%0.55843%0.43SS*.BIsolated β-bridgetrans-75.7118.5168.8-57.80000109.1G78 K79G78-T98 WeakPolarHBondContact CA-O 3.45Å; K79-T98 PolarHBondContact N-O 3.38Å; K79-T98 WeakPolarHBondContact O-CB 3.43Å; K79-T98 PolarHBondContact O-N 3.21Å
99L86.4Confident80.9Confident52 Ų5284.9 Ų84.927%0.27243%0.434SS..PPolyproline II helixtrans-87.6147.8-178.4-64.1175.3000112.2L77 M97 D105 L108L77-L99 WeakPolarHBondContact O-CD2 3.4Å; M97-L99 PolarHBondContact O-N 2.87Å; L99-D105 HydrophobicContact CD1-CB 3.94Å; L99-D105 WeakPolarHBondContact CD1-O 3.46Å; L99-D105 HydrophobicContact CD2-CB 4.31Å; L99-L108 HydrophobicContact CD2-CB 3.81Å; L99-L108 HydrophobicContact CD2-CD2 3.56Å; L99-L108 HydrophobicContact CD2-CG 4.33Å; L99-L108 HydrophobicContact CG-CB 4.49Å
100P80Confident82Confident41 Ų4182.6 Ų82.627%0.26642%0.416SS..PPolyproline II helixtrans-61.5149.7166.1-20.132.2000111.8L77 S102 S103L77-P100 WeakPolarHBondContact O-CD 3.41Å; P100-S102 PolarHBondContact O-N 3.45Å; P100-S103 PolarHBondContact O-N 2.95Å
101K72.9Confident82.8Confident228 Ų22877 Ų7799%0.99140%0.395SS*.THydrogen-bonded Turntrans-59.5-9.6179.9-66.2-174.6177.6-177.20115.2
102S64.4Low83.3Confident100 Ų10073.8 Ų73.870%0.69937%0.372SS*.THydrogen-bonded Turntrans-1097.7-178.752.40000114.1P100P100-S102 PolarHBondContact O-N 3.45Å
103S69.1Low83.6Confident36 Ų3671.9 Ų71.925%0.25236%0.361SS..  trans-82.7147.9178.7-168.70000112.8P100 D105P100-S103 PolarHBondContact O-N 2.95Å; S103-D105 PolarHBondContact OG-N 3.3Å; S103-D105 PolarHBondContact OG-OD2 2.89Å
104Q67.1Low83.6Confident170 Ų17068.2 Ų68.279%0.79434%0.343SS*.  trans-93.4-7.2170.6-67.2-177.5-11.500112.7
105D76.6Confident83.4Confident8 Ų869.6 Ų69.64%0.04335%0.349CS..  trans-71.1150.7179.5-64-51.2000111.9K12 S13 L99 S103K12-D105 WeakPolarHBondContact CA-OD1 3.4Å; K12-D105 PolarHBondContact N-OD1 2.93Å; S13-D105 WeakPolarHBondContact CB-OD1 3.43Å; S13-D105 VanDerWaalsContact CB-OD2 3.26Å; S13-D105 WeakPolarHBondContact CB-OD2 3.24Å; S13-D105 PolarHBondContact N-OD1 3.21Å; S13-D105 PolarHBondContact OG-OD2 2.97Å; L99-D105 HydrophobicContact CD1-CB 3.94Å; L99-D105 WeakPolarHBondContact CD1-O 3.46Å; L99-D105 HydrophobicContact CD2-CB 4.31Å; S103-D105 PolarHBondContact OG-N 3.3Å; S103-D105 PolarHBondContact OG-OD2 2.89Å
106Q69.4Low83.2Confident163 Ų16368.4 Ų68.476%0.76235%0.347SS*.  trans-132.1135.7170.8-64.1-174.35.600109.1L108Q106-L108 PolarHBondContact O-N 3.07Å
107N77.8Confident82.9Confident129 Ų12972.1 Ų72.169%0.6936%0.358SS*.SBendtrans57.439.5179.5-59.2-31.3000115.1K109N107-K109 PolarHBondContact O-N 2.97Å
108L88Confident82.5Confident1 Ų175.9 Ų75.91%0.00537%0.374CS..  trans-60.9127.3170.7-171.172.6000110.2V8 Q9 L11 L62 M97 L99 Q106V8-L108 HydrophobicContact CG1-CD1 3.6Å; V8-L108 HydrophobicContact CG1-CG 4.35Å; Q9-L108 WeakPolarHBondContact O-CA 3.41Å; L11-L108 HydrophobicContact CB-CD1 3.88Å; L11-L108 HydrophobicContact CD1-CD1 4.39Å; L62-L108 HydrophobicContact CD2-CD2 4.2Å; M97-L108 HydrophobicContact CB-CB 4.39Å; M97-L108 HydrophobicContact CB-CD2 4.07Å; M97-L108 HydrophobicContact CB-CG 4.27Å; M97-L108 HydrophobicContact CG-CD2 4.32Å; M97-L108 HydrophobicContact CG-CG 4.32Å; M97-L108 PolarHBondContact N-O 3.5Å; M97-L108 HydrophobicContact SD-CD2 3.62Å; M97-L108 HydrophobicContact SD-CG 3.92Å; L99-L108 HydrophobicContact CD2-CB 3.81Å; L99-L108 HydrophobicContact CD2-CD2 3.56Å; L99-L108 HydrophobicContact CD2-CG 4.33Å; L99-L108 HydrophobicContact CG-CB 4.49Å; Q106-L108 PolarHBondContact O-N 3.07Å
109K91.5Very high82.2Confident84 Ų8474.5 Ų74.537%0.36537%0.367SS..EExtended strand (participates in β ladder)trans-128.8149.5179.1-66.7-178.8179.2-177.10111V8 Q9 W94 Y95 N107V8-K109 CarbonylContact C-O 3.5Å; V8-K109 WeakPolarHBondContact CA-O 3.27Å; Q9-K109 PolarHBondContact N-O 3.3Å; Q9-K109 PolarHBondContact O-N 3.2Å; W94-K109 HydrophobicContact CE3-CB 3.89Å; W94-K109 HydrophobicContact CZ3-CB 4.36Å; Y95-K109 CarbonylContact O-C 3.5Å; Y95-K109 VanDerWaalsContact O-CA 3.27Å; Y95-K109 WeakPolarHBondContact O-CA 3.38Å; N107-K109 PolarHBondContact O-N 2.97Å
110I92.4Very high82.1Confident0 Ų077.7 Ų77.70%039%0.391CS..EExtended strand (participates in β ladder)trans-128.4135.3176.7-170.6164.2000109.9V5 E7 V8 V60 V80 Y95 M97 I112V5-I110 HydrophobicContact CG1-CD1 3.94Å; V5-I110 HydrophobicContact CG1-CG1 4.37Å; E7-I110 CarbonylContact O-C 3.57Å; E7-I110 WeakPolarHBondContact O-CA 3.34Å; V8-I110 HydrophobicContact CG2-CB 3.97Å; V8-I110 HydrophobicContact CG2-CD1 3.77Å; V8-I110 HydrophobicContact CG2-CG1 3.68Å; V60-I110 HydrophobicContact CG1-CD1 4.01Å; V80-I110 HydrophobicContact CB-CG2 4.33Å; V80-I110 HydrophobicContact CG1-CG2 3.86Å; Y95-I110 PolarHBondContact N-O 3.11Å; Y95-I110 PolarHBondContact O-N 3.08Å; M97-I110 HydrophobicContact CE-CB 4.48Å; M97-I110 HydrophobicContact CE-CD1 4.2Å; M97-I110 HydrophobicContact CE-CG2 4.24Å; M97-I110 HydrophobicContact CG-CB 4.06Å; M97-I110 HydrophobicContact CG-CG2 3.68Å; M97-I110 HydrophobicContact SD-CB 3.86Å; M97-I110 HydrophobicContact SD-CD1 4.41Å; M97-I110 HydrophobicContact SD-CG2 3.99Å; I110-I112 HydrophobicContact CD1-CD1 4.17Å; I110-I112 HydrophobicContact CD1-CG1 4.4Å; I110-I112 HydrophobicContact CG1-CD1 4.1Å; I110-I112 HydrophobicContact CG1-CG1 3.91Å; I110-I112 HydrophobicContact CG2-CD1 3.81Å; I110-I112 HydrophobicContact CG2-CG1 4.17Å
111R93.8Very high82.4Confident76 Ų7679.5 Ų79.529%0.28740%0.398SS..EExtended strand (participates in β ladder)trans-95120.8177.4-166.4177.9-172.7-178-5.8109.6M6 E7 P92 E93 W94M6-R111 HydrophobicContact CB-CB 4.27Å; M6-R111 HydrophobicContact CB-CG 4.37Å; M6-R111 PolarHBondContact N-O 3.49Å; M6-R111 HydrophobicContact SD-CG 4.42Å; E7-R111 HydrophobicContact CG-CB 3.71Å; E7-R111 HydrophobicContact CG-CG 4.42Å; E7-R111 PolarHBondContact O-N 3.48Å; E7-R111 VanDerWaalsContact OE1-CD 3.26Å; E7-R111 WeakPolarHBondContact OE1-CD 3.26Å; E7-R111 IonicContact OE1-CZ 3.53Å; E7-R111 IonicContact OE1-NE 2.6Å; E7-R111 IonicContact OE1-NH1 2.74Å; E7-R111 PolarHBondContact OE1-NH1 3.21Å; P92-R111 HydrophobicContact CB-CG 4.1Å; E93-R111 VanDerWaalsContact O-CA 3.31Å; E93-R111 WeakPolarHBondContact O-CA 3.43Å; W94-R111 HydrophobicContact CD2-CB 3.94Å; W94-R111 HydrophobicContact CD2-CG 4.23Å; W94-R111 HydrophobicContact CE3-CB 3.77Å; W94-R111 HydrophobicContact CH2-CB 3.8Å; W94-R111 HydrophobicContact CZ2-CB 3.97Å; W94-R111 HydrophobicContact CZ2-CG 4.26Å; W94-R111 HydrophobicContact CZ3-CB 3.71Å
112I92.1Very high83.2Confident0 Ų069.5 Ų69.50%036%0.355CS..EExtended strand (participates in β ladder)trans-135.9136.2-175.1-53.8-179.8000108.5V3 V4 V5 V60 V80 I82 E93 Y95 I110 I114V3-I112 HydrophobicContact CG1-CG2 3.96Å; V4-I112 WeakPolarHBondContact O-CA 3.49Å; V4-I112 WeakPolarHBondContact O-CG2 3.49Å; V5-I112 HydrophobicContact CG2-CG1 4.45Å; V60-I112 HydrophobicContact CB-CD1 3.95Å; V60-I112 HydrophobicContact CG1-CD1 4.24Å; V60-I112 HydrophobicContact CG2-CD1 3.83Å; V80-I112 HydrophobicContact CG1-CD1 3.87Å; I82-I112 HydrophobicContact CD1-CB 4.5Å; I82-I112 HydrophobicContact CD1-CD1 3.92Å; E93-I112 PolarHBondContact N-O 3.47Å; E93-I112 PolarHBondContact O-N 3.23Å; Y95-I112 HydrophobicContact CD2-CB 4Å; Y95-I112 HydrophobicContact CD2-CD1 4.48Å; Y95-I112 HydrophobicContact CD2-CG1 4.31Å; Y95-I112 HydrophobicContact CE2-CB 3.97Å; I110-I112 HydrophobicContact CD1-CD1 4.17Å; I110-I112 HydrophobicContact CD1-CG1 4.4Å; I110-I112 HydrophobicContact CG1-CD1 4.1Å; I110-I112 HydrophobicContact CG1-CG1 3.91Å; I110-I112 HydrophobicContact CG2-CD1 3.81Å; I110-I112 HydrophobicContact CG2-CG1 4.17Å; I112-I114 HydrophobicContact CG2-CD1 4.45Å; I112-I114 HydrophobicContact CG2-CG1 3.92Å
113A91.9Very high84.4Confident9 Ų968.5 Ų68.57%0.07434%0.339CS..EExtended strand (participates in β ladder)trans-104.9135.4164.900000109.1V4 P92V4-A113 HydrophobicContact CB-CB 4.35Å; V4-A113 PolarHBondContact N-O 3.47Å; V4-A113 PolarHBondContact O-N 2.87Å; P92-A113 HydrophobicContact CB-CB 4.05Å; P92-A113 HydrophobicContact CG-CB 4.03Å
114I90.1Very high85.5Confident6 Ų668.2 Ų68.23%0.03133%0.332CS..EExtended strand (participates in β ladder)trans-125.9129.9175.5-55.7178.6000108.5M1 E2 V3 V58 I82 P84 I112 V116M1-I114 HydrophobicContact CG-CG2 4.28Å; M1-I114 HydrophobicContact SD-CG2 4.32Å; E2-I114 WeakPolarHBondContact O-CA 3.39Å; V3-I114 HydrophobicContact CG1-CG1 4.45Å; V3-I114 HydrophobicContact CG2-CG2 4.4Å; V58-I114 HydrophobicContact CB-CD1 4.46Å; V58-I114 HydrophobicContact CG1-CD1 4.49Å; V58-I114 HydrophobicContact CG2-CD1 4.32Å; I82-I114 HydrophobicContact CB-CD1 4.06Å; I82-I114 HydrophobicContact CD1-CD1 3.93Å; I82-I114 HydrophobicContact CG2-CD1 3.69Å; P84-I114 HydrophobicContact CB-CD1 4.31Å; P84-I114 HydrophobicContact CB-CG2 3.77Å; P84-I114 HydrophobicContact CG-CD1 4.43Å; P84-I114 HydrophobicContact CG-CG2 4.05Å; I112-I114 HydrophobicContact CG2-CD1 4.45Å; I112-I114 HydrophobicContact CG2-CG1 3.92Å; I114-V116 HydrophobicContact CG2-CG2 4.21Å
115R87.6Confident86.6Confident120 Ų12060.2 Ų60.245%0.45330%0.295SS..EExtended strand (participates in β ladder)trans-122.9110.3175.9-67163.7174.4-1793.8109.4M1 E2M1-R115 CarbonylContact C-O 3.56Å; M1-R115 VanDerWaalsContact CA-O 3.26Å; M1-R115 WeakPolarHBondContact CA-O 3.33Å; E2-R115 HydrophobicContact CB-CB 4.16Å; E2-R115 HydrophobicContact CG-CB 4.27Å; E2-R115 PolarHBondContact N-O 3.48Å; E2-R115 PolarHBondContact O-N 3.13Å; E2-R115 WeakPolarHBondContact OE2-CD 3.47Å; E2-R115 IonicContact OE2-CZ 3.35Å; E2-R115 IonicContact OE2-NE 3.57Å; E2-R115 IonicContact OE2-NH1 2.71Å; E2-R115 PolarHBondContact OE2-NH1 3.07Å
116V86.7Confident87.2Confident27 Ų2760.3 Ų60.316%0.16430%0.298CS..  trans-95.3115.2174-173.70000107.8M1 P84 P86 I114M1-V116 HydrophobicContact CG-CG2 4.02Å; M1-V116 HydrophobicContact SD-CG2 3.9Å; P84-V116 HydrophobicContact CB-CG2 3.87Å; P84-V116 HydrophobicContact CG-CG2 4.27Å; P86-V116 HydrophobicContact CB-CG1 4.39Å; P86-V116 HydrophobicContact CG-CG1 4.05Å; I114-V116 HydrophobicContact CG2-CG2 4.21Å
117E84.3Confident88.1Confident166 Ų16656.2 Ų56.278%0.77628%0.276SS*.PPolyproline II helixtrans-66.2133.4169.1-169.6-176.3177.700109.2P119E117-P119 WeakPolarHBondContact O-CD 3.37Å
118K81.9Confident88.7Confident87 Ų8750.1 Ų50.138%0.37824%0.243SC..PPolyproline II helixtrans-92.5118.5-175.8178174.7172.2177.20109.6P86 L122 K123P86-K118 HydrophobicContact CB-CB 4.34Å; P86-K118 HydrophobicContact CB-CG 4.38Å; K118-L122 WeakPolarHBondContact CE-O 3.2Å; K118-L122 HydrophobicContact CG-CD2 4.4Å; K118-K123 WeakPolarHBondContact CE-O 3.37Å; K118-K123 PolarHBondContact NZ-O 2.89Å
119P83.1Confident88.9Confident61 Ų6151.4 Ų51.440%0.39625%0.248SC..PPolyproline II helixtrans-56.9141.3178-27.136.1000112.3E117 N121 L122E117-P119 WeakPolarHBondContact O-CD 3.37Å; P119-N121 WeakPolarHBondContact CB-OD1 3.29Å; P119-N121 PolarHBondContact O-N 2.81Å; P119-L122 HydrophobicContact CB-CB 4.26Å; P119-L122 WeakPolarHBondContact O-CB 3.16Å; P119-L122 PolarHBondContact O-N 3.09Å
120P82.7Confident88.8Confident120 Ų12047.4 Ų47.478%0.77923%0.231SC*.THydrogen-bonded Turntrans-65.3-25-173.125-34.8000113.9K123P120-K123 PolarHBondContact O-NZ 3.07Å
121N87.3Confident88.7Confident79 Ų7949.3 Ų49.342%0.42224%0.241SC..THydrogen-bonded Turntrans-79.6-20.2173.363.6-25.2000113.3P119 K123 V147 Q148P119-N121 WeakPolarHBondContact CB-OD1 3.29Å; P119-N121 PolarHBondContact O-N 2.81Å; N121-K123 PolarHBondContact O-N 3.31Å; N121-V147 HydrophobicContact CB-CG1 4.33Å; N121-V147 CarbonylContact O-C 3.56Å; N121-V147 WeakPolarHBondContact O-CA 3.41Å; N121-Q148 PolarHBondContact O-N 2.75Å
122L89.3Confident88.4Confident18 Ų1846.1 Ų46.19%0.09423%0.232CC..EExtended strand (participates in β ladder)trans-80.7108.5175.8-177.964000109.7P86 K118 P119 Y124 C125 C145 V147P86-L122 HydrophobicContact CB-CD2 4.26Å; P86-L122 HydrophobicContact CG-CD2 3.87Å; K118-L122 WeakPolarHBondContact CE-O 3.2Å; K118-L122 HydrophobicContact CG-CD2 4.4Å; P119-L122 HydrophobicContact CB-CB 4.26Å; P119-L122 WeakPolarHBondContact O-CB 3.16Å; P119-L122 PolarHBondContact O-N 3.09Å; L122-Y124 WeakPolarHBondContact CD1-O 3.46Å; L122-C125 HydrophobicContact CD1-CB 4.33Å; L122-C125 HydrophobicContact CD2-CB 4.39Å; L122-C145 HydrophobicContact CD1-CB 3.59Å; L122-V147 HydrophobicContact CD1-CG2 4.16Å
123K90.6Very high88Confident79 Ų7954.4 Ų54.434%0.34326%0.263SS..EExtended strand (participates in β ladder)trans-83.2-43.1179.7-59.6-48.1-176.1-162.90112.5K118 P120 N121 L146 Q148 F154K118-K123 WeakPolarHBondContact CE-O 3.37Å; K118-K123 PolarHBondContact NZ-O 2.89Å; P120-K123 PolarHBondContact O-NZ 3.07Å; N121-K123 PolarHBondContact O-N 3.31Å; K123-L146 HydrophobicContact CB-CD2 4.19Å; K123-L146 HydrophobicContact CB-CG 4.18Å; K123-L146 PolarHBondContact N-O 3.18Å; K123-Q148 HydrophobicContact CG-CB 4.37Å; K123-F154 HydrophobicContact CG-CD1 4.33Å; K123-F154 HydrophobicContact CG-CE1 3.97Å
124Y91.4Very high87.5Confident30 Ų3059 Ų5912%0.11829%0.286CS..EExtended strand (participates in β ladder)trans-153.1158.4176.6-164.2-112.6000111.7L122 L146 L217 W218 A221L122-Y124 WeakPolarHBondContact CD1-O 3.46Å; Y124-L146 PolarHBondContact N-O 3.03Å; Y124-L146 PolarHBondContact O-N 3.31Å; Y124-L217 HydrophobicContact CE1-CB 4.33Å; Y124-L217 HydrophobicContact CE2-CB 4.13Å; Y124-L217 VanDerWaalsContact OH-CB 3.28Å; Y124-L217 WeakPolarHBondContact OH-CB 3.4Å; Y124-W218 AromaticContact CD1-CD2 3.63Å; Y124-W218 HydrophobicContact CD1-CD2 3.63Å; Y124-W218 AromaticContact CD1-CE2 3.82Å; Y124-W218 AromaticContact CD1-CE3 3.65Å; Y124-W218 HydrophobicContact CD1-CE3 3.65Å; Y124-W218 HydrophobicContact CD1-CG 4.22Å; Y124-W218 HydrophobicContact CD1-CH2 4.01Å; Y124-W218 HydrophobicContact CD1-CZ2 4.02Å; Y124-W218 AromaticContact CD1-CZ3 3.84Å; Y124-W218 HydrophobicContact CD1-CZ3 3.84Å; Y124-W218 AromaticContact CE1-CD1 3.89Å; Y124-W218 AromaticContact CE1-CD2 3.62Å; Y124-W218 HydrophobicContact CE1-CD2 3.62Å; Y124-W218 AromaticContact CE1-CE2 3.63Å; Y124-W218 HydrophobicContact CE1-CE3 4.14Å; Y124-W218 AromaticContact CE1-CG 3.8Å; Y124-W218 HydrophobicContact CE1-CG 3.8Å; Y124-W218 HydrophobicContact CE1-CZ2 4.16Å; Y124-W218 AromaticContact CE1-NE1 3.8Å; Y124-A221 HydrophobicContact CD1-CB 4.11Å; Y124-A221 HydrophobicContact CD2-CB 4.49Å; Y124-A221 HydrophobicContact CG-CB 3.81Å
125C90.5Very high87.2Confident1 Ų159.4 Ų59.41%0.00729%0.29CS..EExtended strand (participates in β ladder)trans-153.8155.3176.4600000111.6N87 L122 F143 F144N87-C125 PolarHBondContact ND2-O 3.21Å; L122-C125 HydrophobicContact CD1-CB 4.33Å; L122-C125 HydrophobicContact CD2-CB 4.39Å; C125-F143 HydrophobicContact CB-CE1 4.18Å; C125-F143 HydrophobicContact CB-CZ 3.79Å; C125-F144 CarbonylContact C-O 3.51Å; C125-F144 WeakPolarHBondContact CA-O 3.25Å
126G89.5Confident87.3Confident11 Ų1153.7 Ų53.711%0.11327%0.268CS..EExtended strand (participates in β ladder)trans169.7175.9179.200000112.4F143 F144G126-F143 WeakPolarHBondContact O-CD2 3.45Å; G126-F144 PolarHBondContact N-O 3.46Å; G126-F144 PolarHBondContact O-N 3.01Å
127Y88.8Confident87.4Confident77 Ų7759.6 Ų59.630%0.30229%0.292SS..EExtended strand (participates in β ladder)trans-87.9129169.8-72.8-84.1000109.8K141 R142 F143Y127-K141 HydrophobicContact CD1-CG 4.45Å; Y127-R142 WeakPolarHBondContact CA-O 3.45Å; Y127-F143 HydrophobicContact CD1-CB 4.03Å; Y127-F143 HydrophobicContact CD1-CD2 4.19Å; Y127-F143 AromaticContact CD2-CD2 3.77Å; Y127-F143 HydrophobicContact CD2-CD2 3.77Å; Y127-F143 HydrophobicContact CD2-CE2 4.34Å; Y127-F143 HydrophobicContact CE1-CB 3.7Å; Y127-F143 HydrophobicContact CE1-CD2 4.07Å; Y127-F143 HydrophobicContact CE1-CG 4.36Å; Y127-F143 AromaticContact CE2-CD2 3.63Å; Y127-F143 HydrophobicContact CE2-CD2 3.63Å; Y127-F143 HydrophobicContact CE2-CE2 4.19Å; Y127-F143 HydrophobicContact CG-CD2 4.05Å; Y127-F143 AromaticContact CZ-CD2 3.78Å
128C90.1Very high87.5Confident0 Ų059.5 Ų59.50%029%0.289CS..EExtended strand (participates in β ladder)trans-143.7163.4166.262.40000110.3R142 F144 A208 T209C128-R142 PolarHBondContact N-O 3.29Å; C128-R142 VanDerWaalsContact N-O 3.14Å; C128-R142 PolarHBondContact O-N 3.32Å; C128-F144 WeakPolarHBondContact SG-CD2 3.35Å; C128-A208 WeakPolarHBondContact CB-O 3.42Å; C128-T209 HydrophobicContact CB-CG2 3.93Å
129Y90.9Very high87.9Confident28 Ų2856.3 Ų56.311%0.1127%0.274CS..EExtended strand (participates in β ladder)trans-87.3140.1167.6-66.6-104.9000107.3K141 L187 Q190 G191 F207 A208Y129-K141 HydrophobicContact CD1-CB 4.12Å; Y129-K141 HydrophobicContact CD2-CB 4.24Å; Y129-K141 HydrophobicContact CD2-CD 4.4Å; Y129-K141 HydrophobicContact CD2-CG 4.05Å; Y129-K141 HydrophobicContact CE1-CB 3.75Å; Y129-K141 HydrophobicContact CE1-CG 4.48Å; Y129-K141 HydrophobicContact CE2-CB 3.82Å; Y129-K141 HydrophobicContact CE2-CD 3.52Å; Y129-K141 HydrophobicContact CE2-CG 3.61Å; Y129-K141 HydrophobicContact CG-CB 4.37Å; Y129-L187 HydrophobicContact CD1-CD1 3.48Å; Y129-L187 VanDerWaalsContact CD1-CD1 3.48Å; Y129-L187 HydrophobicContact CD1-CD2 4.48Å; Y129-L187 HydrophobicContact CE1-CD1 3.97Å; Y129-L187 HydrophobicContact CG-CD1 4.06Å; Y129-L187 HydrophobicContact CG-CD2 4.26Å; Y129-Q190 PolarHBondContact OH-O 3Å; Y129-G191 WeakPolarHBondContact CE2-O 3.45Å; Y129-G191 PolarHBondContact OH-O 3.19Å; Y129-F207 CarbonylContact O-C 3.59Å; Y129-F207 WeakPolarHBondContact O-CA 3.39Å; Y129-A208 PolarHBondContact N-O 3.24Å; Y129-A208 PolarHBondContact O-N 2.85Å
130C90.6Very high88.1Confident0 Ų059.4 Ų59.40%028%0.282CS..EExtended strand (participates in β ladder)trans-141.8142.1173.6-177.30000109.8W136 R142 F144 K206 F207C130-W136 VanDerWaalsContact SG-CE3 3.54Å; C130-R142 PolarHBondContact O-NH1 3.25Å; C130-F144 HydrophobicContact CB-CE1 4.4Å; C130-F144 HydrophobicContact CB-CE2 3.87Å; C130-F144 HydrophobicContact CB-CZ 3.5Å; C130-K206 CarbonylContact C-O 3.6Å; C130-K206 VanDerWaalsContact CA-O 3.3Å; C130-K206 WeakPolarHBondContact CA-O 3.31Å; C130-F207 HydrophobicContact CB-CD1 3.64Å; C130-F207 HydrophobicContact CB-CE1 3.74Å; C130-F207 HydrophobicContact CB-CG 4.46Å; C130-F207 WeakPolarHBondContact SG-CE1 3.4Å
131I89.9Confident88.4Confident41 Ų4157.8 Ų57.821%0.2126%0.262CS..EExtended strand (participates in β ladder)trans-129.8144.9162.6-165.2168.2000109.6W136 W139 L205 K206I131-W136 VanDerWaalsContact CA-O 3.3Å; I131-W136 WeakPolarHBondContact CA-O 3.22Å; I131-W139 HydrophobicContact CB-CD2 3.72Å; I131-W139 HydrophobicContact CB-CE3 3.95Å; I131-W139 HydrophobicContact CB-CG 4.09Å; I131-W139 HydrophobicContact CB-CZ2 4.4Å; I131-W139 HydrophobicContact CB-CZ3 4.39Å; I131-W139 HydrophobicContact CD1-CG 4.19Å; I131-W139 HydrophobicContact CG2-CD2 3.69Å; I131-W139 HydrophobicContact CG2-CE3 4.01Å; I131-W139 HydrophobicContact CG2-CG 4.35Å; I131-W139 HydrophobicContact CG2-CH2 3.83Å; I131-W139 HydrophobicContact CG2-CZ2 3.45Å; I131-W139 VanDerWaalsContact CG2-CZ2 3.45Å; I131-W139 HydrophobicContact CG2-CZ3 4.08Å; I131-L205 WeakPolarHBondContact O-CA 3.33Å; I131-K206 HydrophobicContact CG2-CB 3.89Å; I131-K206 PolarHBondContact N-O 2.83Å; I131-K206 PolarHBondContact O-N 2.67Å
132G87.8Confident88.5Confident9 Ų955.9 Ų55.99%0.09325%0.249CC..EExtended strand (participates in β ladder)trans-150.4161.7176.200000112.2A135 W136G132-A135 CarbonylContact C-O 3.35Å; G132-A135 VanDerWaalsContact CA-O 3.24Å; G132-A135 WeakPolarHBondContact CA-O 3.08Å; G132-A135 PolarHBondContact N-O 2.91Å; G132-W136 PolarHBondContact N-O 3.2Å
133R82.3Confident88.6Confident174 Ų17455.1 Ų55.166%0.65725%0.245SC*.SBendtrans-70-45.3177176.2178.4-85.3173.4-8111.2K137 G202R133-K137 WeakPolarHBondContact O-CE 3.34Å; R133-G202 PolarHBondContact NH1-O 3.02Å
134N82.3Confident88.7Confident106 Ų10651.4 Ų51.457%0.56723%0.229SC*.SBendtrans-91.6-48.5-174.2-69.7-33.5000113.8K137 D203N134-K137 WeakPolarHBondContact O-CE 3.48Å; N134-D203 PolarHBondContact ND2-OD2 3.33Å
135A82.9Confident88.7Confident13 Ų1350.1 Ų50.111%0.10723%0.225CC..SBendtrans-116.8161.2171.100000111.6G132 K137 I170G132-A135 CarbonylContact C-O 3.35Å; G132-A135 VanDerWaalsContact CA-O 3.24Å; G132-A135 WeakPolarHBondContact CA-O 3.08Å; G132-A135 PolarHBondContact N-O 2.91Å; A135-K137 PolarHBondContact O-N 3.32Å; A135-I170 HydrophobicContact CB-CD1 3.55Å; A135-I170 HydrophobicContact CB-CG1 3.75Å
136W90.8Very high88.8Confident0 Ų050.1 Ų50.10%022%0.224CC..  trans54.747.6179.7-49.8-57.5000114.3C130 I131 G132 K138 F144 V156 S158 E168 I170 L205C130-W136 VanDerWaalsContact SG-CE3 3.54Å; I131-W136 VanDerWaalsContact CA-O 3.3Å; I131-W136 WeakPolarHBondContact CA-O 3.22Å; G132-W136 PolarHBondContact N-O 3.2Å; W136-K138 PolarHBondContact O-N 3.17Å; W136-F144 AromaticContact CD2-CE1 3.95Å; W136-F144 HydrophobicContact CD2-CE1 3.95Å; W136-F144 HydrophobicContact CD2-CZ 4.12Å; W136-F144 AromaticContact CE2-CE1 3.52Å; W136-F144 HydrophobicContact CE3-CE1 4.32Å; W136-F144 HydrophobicContact CG-CZ 4.39Å; W136-F144 AromaticContact CH2-CE1 3.97Å; W136-F144 HydrophobicContact CH2-CE1 3.97Å; W136-F144 HydrophobicContact CZ2-CD1 4.34Å; W136-F144 AromaticContact CZ2-CE1 3.56Å; W136-F144 HydrophobicContact CZ2-CE1 3.56Å; W136-F144 HydrophobicContact CZ2-CZ 4.49Å; W136-F144 HydrophobicContact CZ3-CE1 4.32Å; W136-F144 AromaticContact NE1-CE1 3.89Å; W136-V156 HydrophobicContact CH2-CB 4.42Å; W136-V156 HydrophobicContact CH2-CG1 4.04Å; W136-V156 WeakPolarHBondContact CH2-O 3.49Å; W136-S158 PolarHBondContact NE1-OG 2.94Å; W136-E168 WeakPolarHBondContact CA-OE2 3.32Å; W136-E168 VanDerWaalsContact CD1-CD 3.43Å; W136-E168 HydrophobicContact CZ2-CB 4.22Å; W136-E168 WeakPolarHBondContact CZ2-O 3.46Å; W136-E168 PolarHBondContact N-OE2 2.88Å; W136-E168 VanDerWaalsContact NE1-CB 3.35Å; W136-I170 HydrophobicContact CE3-CD1 4.34Å; W136-I170 HydrophobicContact CH2-CB 4.06Å; W136-I170 HydrophobicContact CH2-CD1 4.47Å; W136-I170 HydrophobicContact CH2-CG1 4.1Å; W136-I170 HydrophobicContact CZ3-CB 4.12Å; W136-I170 HydrophobicContact CZ3-CD1 3.84Å; W136-I170 HydrophobicContact CZ3-CG1 3.96Å; W136-L205 HydrophobicContact CZ3-CD1 4.27Å
137K88.3Confident88.9Confident152 Ų15250.9 Ų50.966%0.66123%0.227SC*.  trans-58.56.2-176.1-56.7-175178.7-1760117.5R133 N134 A135R133-K137 WeakPolarHBondContact O-CE 3.34Å; N134-K137 WeakPolarHBondContact O-CE 3.48Å; A135-K137 PolarHBondContact O-N 3.32Å
138K87.1Confident89.1Confident163 Ų16349.6 Ų49.671%0.70922%0.224SC*.SBendtrans-145135.2173.4-65.3-168.8178.7-169.60109.8W136 K140 R142W136-K138 PolarHBondContact O-N 3.17Å; K138-K140 PolarHBondContact O-N 2.98Å; K138-R142 PolarHBondContact O-NH1 3.4Å; K138-R142 PolarHBondContact O-NH2 2.91Å
139W88.8Confident89Confident20 Ų2054.6 Ų54.68%0.07625%0.254CS..  trans-49.3118.7165.4-81.5129.1000110.5I131 D184 L187 F195 K206 A208I131-W139 HydrophobicContact CB-CD2 3.72Å; I131-W139 HydrophobicContact CB-CE3 3.95Å; I131-W139 HydrophobicContact CB-CG 4.09Å; I131-W139 HydrophobicContact CB-CZ2 4.4Å; I131-W139 HydrophobicContact CB-CZ3 4.39Å; I131-W139 HydrophobicContact CD1-CG 4.19Å; I131-W139 HydrophobicContact CG2-CD2 3.69Å; I131-W139 HydrophobicContact CG2-CE3 4.01Å; I131-W139 HydrophobicContact CG2-CG 4.35Å; I131-W139 HydrophobicContact CG2-CH2 3.83Å; I131-W139 HydrophobicContact CG2-CZ2 3.45Å; I131-W139 VanDerWaalsContact CG2-CZ2 3.45Å; I131-W139 HydrophobicContact CG2-CZ3 4.08Å; W139-D184 HydrophobicContact CZ2-CB 4.23Å; W139-D184 PolarHBondContact NE1-OD2 2.84Å; W139-L187 HydrophobicContact CB-CD1 3.94Å; W139-L187 HydrophobicContact CD2-CB 4.17Å; W139-L187 HydrophobicContact CD2-CD1 4.04Å; W139-L187 HydrophobicContact CD2-CD2 3.91Å; W139-L187 HydrophobicContact CD2-CG 4.26Å; W139-L187 HydrophobicContact CE3-CD1 4.18Å; W139-L187 HydrophobicContact CE3-CD2 3.71Å; W139-L187 HydrophobicContact CE3-CG 4.45Å; W139-L187 HydrophobicContact CG-CB 4.25Å; W139-L187 HydrophobicContact CG-CD1 3.98Å; W139-L187 HydrophobicContact CH2-CD2 3.92Å; W139-L187 HydrophobicContact CZ2-CD2 4.12Å; W139-L187 HydrophobicContact CZ3-CD2 3.72Å; W139-F195 HydrophobicContact CH2-CD1 4.33Å; W139-F195 HydrophobicContact CH2-CE1 4.21Å; W139-F195 HydrophobicContact CZ2-CE1 4.16Å; W139-K206 HydrophobicContact CH2-CB 3.71Å; W139-K206 VanDerWaalsContact CH2-O 3.32Å; W139-K206 WeakPolarHBondContact CH2-O 2.97Å; W139-K206 HydrophobicContact CZ2-CB 3.92Å; W139-K206 VanDerWaalsContact CZ3-O 3.3Å; W139-K206 WeakPolarHBondContact CZ3-O 3.43Å; W139-A208 HydrophobicContact CH2-CB 4.38Å; W139-A208 HydrophobicContact CZ3-CB 4.35Å
140K87.5Confident88.7Confident127 Ų12756.1 Ų56.155%0.55227%0.269SS*.EExtended strand (participates in β ladder)trans-163.1136.1175.7-178.8173.8-177169.90109.6K138 R142K138-K140 PolarHBondContact O-N 2.98Å; K140-R142 PolarHBondContact O-N 2.99Å; K140-R142 PolarHBondContact O-NH1 3.01Å
141K89.3Confident88.1Confident85 Ų8562.9 Ų62.937%0.3730%0.3SS..EExtended strand (participates in β ladder)trans-62.5121.2171.2-154.6168.2-171159.80109.4Y127 Y129 D210Y127-K141 HydrophobicContact CD1-CG 4.45Å; Y129-K141 HydrophobicContact CD1-CB 4.12Å; Y129-K141 HydrophobicContact CD2-CB 4.24Å; Y129-K141 HydrophobicContact CD2-CD 4.4Å; Y129-K141 HydrophobicContact CD2-CG 4.05Å; Y129-K141 HydrophobicContact CE1-CB 3.75Å; Y129-K141 HydrophobicContact CE1-CG 4.48Å; Y129-K141 HydrophobicContact CE2-CB 3.82Å; Y129-K141 HydrophobicContact CE2-CD 3.52Å; Y129-K141 HydrophobicContact CE2-CG 3.61Å; Y129-K141 HydrophobicContact CG-CB 4.37Å; K141-D210 IonicContact NZ-OD2 3.13Å; K141-D210 PolarHBondContact NZ-OD2 2.94Å
142R90.6Very high87.6Confident39 Ų3969.8 Ų69.815%0.14733%0.325CS..EExtended strand (participates in β ladder)trans-131.6158.7175.5-58.3171.4-175.986.4-10.6108.1Y127 C128 C130 K138 K140 F144Y127-R142 WeakPolarHBondContact CA-O 3.45Å; C128-R142 PolarHBondContact N-O 3.29Å; C128-R142 VanDerWaalsContact N-O 3.14Å; C128-R142 PolarHBondContact O-N 3.32Å; C130-R142 PolarHBondContact O-NH1 3.25Å; K138-R142 PolarHBondContact O-NH1 3.4Å; K138-R142 PolarHBondContact O-NH2 2.91Å; K140-R142 PolarHBondContact O-N 2.99Å; K140-R142 PolarHBondContact O-NH1 3.01Å; R142-F144 HydrophobicContact CB-CD2 4.12Å; R142-F144 HydrophobicContact CB-CE2 3.61Å; R142-F144 HydrophobicContact CB-CZ 4.05Å; R142-F144 HydrophobicContact CG-CE2 4.45Å; R142-F144 WeakPolarHBondContact O-CD2 3.39Å
143F90.6Very high87.5Confident3 Ų370.2 Ų70.21%0.01333%0.328CS..EExtended strand (participates in β ladder)trans-86.2127.5168.4-169.7-107.5000108.8L55 T85 C125 G126 Y127 C145 S158 F159L55-F143 HydrophobicContact CD1-CB 3.7Å; L55-F143 HydrophobicContact CD1-CD1 3.85Å; L55-F143 HydrophobicContact CD1-CG 3.83Å; L55-F143 HydrophobicContact CD2-CD1 3.66Å; L55-F143 HydrophobicContact CD2-CD2 3.95Å; L55-F143 HydrophobicContact CD2-CE1 3.67Å; L55-F143 HydrophobicContact CD2-CE2 3.97Å; L55-F143 HydrophobicContact CD2-CG 3.79Å; L55-F143 HydrophobicContact CD2-CZ 3.82Å; L55-F143 HydrophobicContact CG-CB 4.42Å; L55-F143 HydrophobicContact CG-CD1 3.63Å; L55-F143 HydrophobicContact CG-CE1 3.95Å; L55-F143 HydrophobicContact CG-CG 4Å; T85-F143 HydrophobicContact CG2-CE2 3.79Å; T85-F143 HydrophobicContact CG2-CZ 4.01Å; C125-F143 HydrophobicContact CB-CE1 4.18Å; C125-F143 HydrophobicContact CB-CZ 3.79Å; G126-F143 WeakPolarHBondContact O-CD2 3.45Å; Y127-F143 HydrophobicContact CD1-CB 4.03Å; Y127-F143 HydrophobicContact CD1-CD2 4.19Å; Y127-F143 AromaticContact CD2-CD2 3.77Å; Y127-F143 HydrophobicContact CD2-CD2 3.77Å; Y127-F143 HydrophobicContact CD2-CE2 4.34Å; Y127-F143 HydrophobicContact CE1-CB 3.7Å; Y127-F143 HydrophobicContact CE1-CD2 4.07Å; Y127-F143 HydrophobicContact CE1-CG 4.36Å; Y127-F143 AromaticContact CE2-CD2 3.63Å; Y127-F143 HydrophobicContact CE2-CD2 3.63Å; Y127-F143 HydrophobicContact CE2-CE2 4.19Å; Y127-F143 HydrophobicContact CG-CD2 4.05Å; Y127-F143 AromaticContact CZ-CD2 3.78Å; F143-C145 VanDerWaalsContact CE1-SG 3.59Å; F143-S158 WeakPolarHBondContact O-CA 3.34Å; F143-F159 PolarHBondContact O-N 2.92Å
144F92.4Very high88Confident0 Ų063.3 Ų63.30%030%0.303CS..EExtended strand (participates in β ladder)trans-116.7142.2-177.9-74.8-85.4000110.6C125 G126 C128 C130 W136 R142 V156 C157 W218C125-F144 CarbonylContact C-O 3.51Å; C125-F144 WeakPolarHBondContact CA-O 3.25Å; G126-F144 PolarHBondContact N-O 3.46Å; G126-F144 PolarHBondContact O-N 3.01Å; C128-F144 WeakPolarHBondContact SG-CD2 3.35Å; C130-F144 HydrophobicContact CB-CE1 4.4Å; C130-F144 HydrophobicContact CB-CE2 3.87Å; C130-F144 HydrophobicContact CB-CZ 3.5Å; W136-F144 AromaticContact CD2-CE1 3.95Å; W136-F144 HydrophobicContact CD2-CE1 3.95Å; W136-F144 HydrophobicContact CD2-CZ 4.12Å; W136-F144 AromaticContact CE2-CE1 3.52Å; W136-F144 HydrophobicContact CE3-CE1 4.32Å; W136-F144 HydrophobicContact CG-CZ 4.39Å; W136-F144 AromaticContact CH2-CE1 3.97Å; W136-F144 HydrophobicContact CH2-CE1 3.97Å; W136-F144 HydrophobicContact CZ2-CD1 4.34Å; W136-F144 AromaticContact CZ2-CE1 3.56Å; W136-F144 HydrophobicContact CZ2-CE1 3.56Å; W136-F144 HydrophobicContact CZ2-CZ 4.49Å; W136-F144 HydrophobicContact CZ3-CE1 4.32Å; W136-F144 AromaticContact NE1-CE1 3.89Å; R142-F144 HydrophobicContact CB-CD2 4.12Å; R142-F144 HydrophobicContact CB-CE2 3.61Å; R142-F144 HydrophobicContact CB-CZ 4.05Å; R142-F144 HydrophobicContact CG-CE2 4.45Å; R142-F144 WeakPolarHBondContact O-CD2 3.39Å; F144-V156 HydrophobicContact CB-CG1 4.49Å; F144-V156 HydrophobicContact CD1-CG1 3.48Å; F144-V156 VanDerWaalsContact CD1-CG1 3.48Å; F144-V156 HydrophobicContact CE1-CG1 4.04Å; F144-V156 HydrophobicContact CG-CG1 4.34Å; F144-C157 CarbonylContact C-O 3.57Å; F144-C157 WeakPolarHBondContact CA-O 3.45Å; F144-W218 HydrophobicContact CB-CH2 3.62Å; F144-W218 HydrophobicContact CB-CZ2 3.94Å
145C92Very high88.5Confident4 Ų458.5 Ų58.53%0.02728%0.278CS..EExtended strand (participates in β ladder)trans-123.9126.1171.6-660000108.7L122 F143 V147 C157 F159L122-C145 HydrophobicContact CD1-CB 3.59Å; F143-C145 VanDerWaalsContact CE1-SG 3.59Å; C145-V147 HydrophobicContact CB-CG2 4.04Å; C145-C157 PolarHBondContact N-O 3.19Å; C145-C157 PolarHBondContact O-N 3.36Å; C145-F159 HydrophobicContact CB-CD2 4.07Å; C145-F159 HydrophobicContact CB-CE2 3.8Å
146L93Very high89Confident0 Ų058 Ų580%027%0.273CS..EExtended strand (participates in β ladder)trans-88.3109.2168.4175.660.8000108.4K123 Y124 F154 V156 L172 W218 A221 L222 A225K123-L146 HydrophobicContact CB-CD2 4.19Å; K123-L146 HydrophobicContact CB-CG 4.18Å; K123-L146 PolarHBondContact N-O 3.18Å; Y124-L146 PolarHBondContact N-O 3.03Å; Y124-L146 PolarHBondContact O-N 3.31Å; L146-F154 HydrophobicContact CD1-CB 4.34Å; L146-V156 HydrophobicContact CD1-CG2 3.95Å; L146-L172 HydrophobicContact CD1-CD1 3.51Å; L146-W218 HydrophobicContact CB-CZ3 4.38Å; L146-A221 HydrophobicContact CD2-CB 3.9Å; L146-A221 WeakPolarHBondContact CD2-O 3.27Å; L146-L222 HydrophobicContact CD1-CD2 4Å; L146-L222 HydrophobicContact CD2-CD2 4.1Å; L146-A225 HydrophobicContact CD1-CB 3.87Å; L146-A225 HydrophobicContact CD2-CB 3.88Å; L146-A225 HydrophobicContact CG-CB 4.28Å
147V91.9Very high89.1Confident27 Ų2758.6 Ų58.616%0.16428%0.277CS..EExtended strand (participates in β ladder)trans-114133-174.2-174.90000109.9N121 L122 C145 F154 A155N121-V147 HydrophobicContact CB-CG1 4.33Å; N121-V147 CarbonylContact O-C 3.56Å; N121-V147 WeakPolarHBondContact O-CA 3.41Å; L122-V147 HydrophobicContact CD1-CG2 4.16Å; C145-V147 HydrophobicContact CB-CG2 4.04Å; V147-F154 WeakPolarHBondContact O-CA 3.5Å; V147-A155 PolarHBondContact N-O 2.97Å; V147-A155 PolarHBondContact O-N 3.15Å
148Q91.8Very high89.3Confident50 Ų5051.5 Ų51.523%0.23425%0.247CC..EExtended strand (participates in β ladder)trans-80.3115.8166.8-174.8173.617.800108.8N121 K123 S150 Q151 F154N121-Q148 PolarHBondContact O-N 2.75Å; K123-Q148 HydrophobicContact CG-CB 4.37Å; Q148-S150 WeakPolarHBondContact CG-O 3.2Å; Q148-S150 PolarHBondContact NE2-O 3.48Å; Q148-S150 VanDerWaalsContact NE2-O 3.09Å; Q148-Q151 PolarHBondContact NE2-O 2.96Å; Q148-F154 HydrophobicContact CB-CD1 3.79Å; Q148-F154 HydrophobicContact CB-CE1 3.59Å; Q148-F154 HydrophobicContact CB-CZ 4.42Å; Q148-F154 HydrophobicContact CG-CD1 4.08Å; Q148-F154 HydrophobicContact CG-CE1 3.63Å; Q148-F154 HydrophobicContact CG-CZ 3.96Å
149V87.3Confident89.3Confident105 Ų10544.9 Ų44.964%0.63622%0.218SC*.  trans-91.1-34.4-178.3-175.60000110.8A153 A155V149-A153 HydrophobicContact CB-CB 4.41Å; V149-A153 PolarHBondContact N-O 3.13Å; V149-A155 HydrophobicContact CG2-CB 3.93Å
150S85.4Confident89.1Confident61 Ų6151.1 Ų51.143%0.42724%0.242SC..SBendtrans-145.6-178.2172.280.10000110.4Q148 Y152 A153Q148-S150 WeakPolarHBondContact CG-O 3.2Å; Q148-S150 PolarHBondContact NE2-O 3.48Å; Q148-S150 VanDerWaalsContact NE2-O 3.09Å; S150-Y152 PolarHBondContact O-N 3.26Å; S150-Y152 VanDerWaalsContact O-N 3.08Å; S150-Y152 PolarHBondContact OG-N 3.05Å; S150-A153 PolarHBondContact N-O 3.4Å; S150-A153 PolarHBondContact O-N 3Å; S150-A153 VanDerWaalsContact OG-CB 3.25Å; S150-A153 WeakPolarHBondContact OG-CB 3.3Å; S150-A153 PolarHBondContact OG-N 3.35Å; S150-A153 VanDerWaalsContact OG-N 3.08Å
151Q77.8Confident88.7Confident141 Ų14149.8 Ų49.866%0.65924%0.237SC*.SBendtrans-51.6-34.2177.8-170.4173.78.100113.1Q148Q148-Q151 PolarHBondContact NE2-O 2.96Å
152Y79.3Confident87.8Confident187 Ų18752.5 Ų52.573%0.73325%0.249SC*.SBendtrans-120.9-8.6-177.1-54.1-73.8000114.6S150S150-Y152 PolarHBondContact O-N 3.26Å; S150-Y152 VanDerWaalsContact O-N 3.08Å; S150-Y152 PolarHBondContact OG-N 3.05Å
153A86.3Confident87.3Confident18 Ų1856.4 Ų56.415%0.14927%0.267CS..  trans-102.5126.2-179.100000112.1V149 S150V149-A153 HydrophobicContact CB-CB 4.41Å; V149-A153 PolarHBondContact N-O 3.13Å; S150-A153 PolarHBondContact N-O 3.4Å; S150-A153 PolarHBondContact O-N 3Å; S150-A153 VanDerWaalsContact OG-CB 3.25Å; S150-A153 WeakPolarHBondContact OG-CB 3.3Å; S150-A153 PolarHBondContact OG-N 3.35Å; S150-A153 VanDerWaalsContact OG-N 3.08Å
154F93.6Very high86.6Confident29 Ų2958.3 Ų58.313%0.12728%0.283CS..EExtended strand (participates in β ladder)trans-121.8145.4175-62.7-96.1000110.8K123 L146 V147 Q148 Q171 L172 A225K123-F154 HydrophobicContact CG-CD1 4.33Å; K123-F154 HydrophobicContact CG-CE1 3.97Å; L146-F154 HydrophobicContact CD1-CB 4.34Å; V147-F154 WeakPolarHBondContact O-CA 3.5Å; Q148-F154 HydrophobicContact CB-CD1 3.79Å; Q148-F154 HydrophobicContact CB-CE1 3.59Å; Q148-F154 HydrophobicContact CB-CZ 4.42Å; Q148-F154 HydrophobicContact CG-CD1 4.08Å; Q148-F154 HydrophobicContact CG-CE1 3.63Å; Q148-F154 HydrophobicContact CG-CZ 3.96Å; F154-Q171 WeakPolarHBondContact O-CA 3.17Å; F154-L172 HydrophobicContact CB-CD1 4.38Å; F154-L172 PolarHBondContact O-N 2.98Å; F154-A225 HydrophobicContact CB-CB 3.82Å; F154-A225 HydrophobicContact CD1-CB 3.7Å; F154-A225 HydrophobicContact CD2-CB 4.11Å; F154-A225 WeakPolarHBondContact CD2-O 3.47Å; F154-A225 HydrophobicContact CE1-CB 4.27Å; F154-A225 HydrophobicContact CG-CB 3.61Å
155A92.8Very high86.1Confident5 Ų564.1 Ų64.14%0.04131%0.314CS..EExtended strand (participates in β ladder)trans-132.1142.1176.900000111.6V147 V149 I170V147-A155 PolarHBondContact N-O 2.97Å; V147-A155 PolarHBondContact O-N 3.15Å; V149-A155 HydrophobicContact CG2-CB 3.93Å; A155-I170 CarbonylContact C-O 3.58Å; A155-I170 VanDerWaalsContact CA-O 3.26Å; A155-I170 WeakPolarHBondContact CA-O 3.33Å
156V93.3Very high85.8Confident1 Ų166.5 Ų66.51%0.00633%0.33CS..EExtended strand (participates in β ladder)trans-95.5115.7168172.40000107.7W136 F144 L146 F169 I170 L172 L222W136-V156 HydrophobicContact CH2-CB 4.42Å; W136-V156 HydrophobicContact CH2-CG1 4.04Å; W136-V156 WeakPolarHBondContact CH2-O 3.49Å; F144-V156 HydrophobicContact CB-CG1 4.49Å; F144-V156 HydrophobicContact CD1-CG1 3.48Å; F144-V156 VanDerWaalsContact CD1-CG1 3.48Å; F144-V156 HydrophobicContact CE1-CG1 4.04Å; F144-V156 HydrophobicContact CG-CG1 4.34Å; L146-V156 HydrophobicContact CD1-CG2 3.95Å; V156-F169 CarbonylContact O-C 3.59Å; V156-F169 WeakPolarHBondContact O-CA 3.44Å; V156-F169 WeakPolarHBondContact O-CB 3.32Å; V156-I170 PolarHBondContact N-O 3.25Å; V156-I170 PolarHBondContact O-N 2.83Å; V156-L172 HydrophobicContact CG2-CD1 3.88Å; V156-L172 HydrophobicContact CG2-CD2 3.85Å; V156-L172 HydrophobicContact CG2-CG 3.98Å; V156-L222 HydrophobicContact CG2-CD2 3.56Å
157C92.4Very high85.5Confident14 Ų1469 Ų6910%0.09535%0.345CS..EExtended strand (participates in β ladder)trans-114.6130.7-174.4-66.40000110F144 C145 F159 P166 F169F144-C157 CarbonylContact C-O 3.57Å; F144-C157 WeakPolarHBondContact CA-O 3.45Å; C145-C157 PolarHBondContact N-O 3.19Å; C145-C157 PolarHBondContact O-N 3.36Å; C157-F159 HydrophobicContact CB-CD2 4.3Å; C157-F159 HydrophobicContact CB-CE2 3.47Å; C157-F159 VanDerWaalsContact CB-CE2 3.47Å; C157-F159 HydrophobicContact CB-CZ 4Å; C157-P166 HydrophobicContact CB-CB 4.06Å; C157-F169 HydrophobicContact CB-CB 4.24Å; C157-F169 VanDerWaalsContact SG-CB 3.57Å
158S92.1Very high85.4Confident3 Ų370.8 Ų70.82%0.02135%0.352CS..EExtended strand (participates in β ladder)trans-98.6131.3176.365.20000111.5W136 F143 T167 E168W136-S158 PolarHBondContact NE1-OG 2.94Å; F143-S158 WeakPolarHBondContact O-CA 3.34Å; S158-T167 PolarHBondContact O-N 3.05Å; S158-E168 PolarHBondContact N-O 2.95Å; S158-E168 PolarHBondContact OG-N 3.04Å; S158-E168 PolarHBondContact OG-O 3.43Å
159F88.4Confident85.4Confident24 Ų2474.5 Ų74.511%0.10537%0.367CS..EExtended strand (participates in β ladder)trans-118156.7-175.6-71-84.7000112.6P54 F143 C145 C157 A164 P166P54-F159 HydrophobicContact CB-CD1 4.34Å; P54-F159 HydrophobicContact CB-CD2 4.42Å; P54-F159 HydrophobicContact CB-CG 4.22Å; P54-F159 HydrophobicContact CG-CD1 3.76Å; P54-F159 HydrophobicContact CG-CD2 4.45Å; P54-F159 HydrophobicContact CG-CE1 3.73Å; P54-F159 HydrophobicContact CG-CE2 4.42Å; P54-F159 HydrophobicContact CG-CG 4.13Å; P54-F159 HydrophobicContact CG-CZ 4.08Å; F143-F159 PolarHBondContact O-N 2.92Å; C145-F159 HydrophobicContact CB-CD2 4.07Å; C145-F159 HydrophobicContact CB-CE2 3.8Å; C157-F159 HydrophobicContact CB-CD2 4.3Å; C157-F159 HydrophobicContact CB-CE2 3.47Å; C157-F159 VanDerWaalsContact CB-CE2 3.47Å; C157-F159 HydrophobicContact CB-CZ 4Å; F159-A164 WeakPolarHBondContact CE1-O 3.3Å; F159-P166 HydrophobicContact CD1-CB 4.5Å; F159-P166 HydrophobicContact CE1-CB 3.88Å; F159-P166 HydrophobicContact CE1-CG 4.47Å; F159-P166 VanDerWaalsContact CE1-N 3.31Å; F159-P166 HydrophobicContact CE2-CB 4.43Å; F159-P166 HydrophobicContact CZ-CB 3.85Å; F159-P166 HydrophobicContact CZ-CG 4.47Å
160R84Confident85.6Confident151 Ų15170.5 Ų70.557%0.5734%0.342SS*.  trans-117.3151.1170.3-67.2-175.3-171.2-166.37.3109.2K163R160-K163 PolarHBondContact O-N 3.13Å
161Q77.8Confident85.9Confident99 Ų9972.5 Ų72.546%0.46335%0.345SS..THydrogen-bonded Turntrans-52.6139.9174.4-67.4169.80.400111L55 K163L55-Q161 HydrophobicContact CD1-CG 4.22Å; Q161-K163 PolarHBondContact O-N 3.3Å
162K71.1Confident86.5Confident142 Ų14265.9 Ų65.962%0.61731%0.314SS*.THydrogen-bonded Turntrans58.127.4179.1-49.8-178.9-179.1-178.90115.1V57V57-K162 HydrophobicContact CG2-CG 4.44Å
163K80Confident86.8Confident120 Ų12062 Ų6252%0.52231%0.306SS..  trans-126.1131167.3-68.7-160.2170.1-154.20109.7R160 Q161R160-K163 PolarHBondContact O-N 3.13Å; Q161-K163 PolarHBondContact O-N 3.3Å
164A76.2Confident86.7Confident43 Ų4363.5 Ų63.536%0.35532%0.323SS..SBendtrans-77-32.1174.400000111.9N53 F159N53-A164 PolarHBondContact OD1-N 3.09Å; F159-A164 WeakPolarHBondContact CE1-O 3.3Å
165D81.9Confident86.5Confident122 Ų12262.5 Ų62.565%0.65232%0.319SS*.SBendtrans-86.2145.1-176.3-51-66.1000113.3
166P86.6Confident86.4Confident54 Ų5464.8 Ų64.835%0.35133%0.332SS..  trans-66.2139.8173.928.8-34.5000110.7C157 F159 F169C157-P166 HydrophobicContact CB-CB 4.06Å; F159-P166 HydrophobicContact CD1-CB 4.5Å; F159-P166 HydrophobicContact CE1-CB 3.88Å; F159-P166 HydrophobicContact CE1-CG 4.47Å; F159-P166 VanDerWaalsContact CE1-N 3.31Å; F159-P166 HydrophobicContact CE2-CB 4.43Å; F159-P166 HydrophobicContact CZ-CB 3.85Å; F159-P166 HydrophobicContact CZ-CG 4.47Å; P166-F169 HydrophobicContact CG-CD1 4.42Å
167T86.7Confident86.4Confident53 Ų5364.7 Ų64.733%0.32533%0.331SS..SBendtrans-78.8-40.6178.4-59.60000112.1S158S158-T167 PolarHBondContact O-N 3.05Å
168E89.6Confident86.2Confident64 Ų6467.1 Ų67.130%0.29934%0.343SS..EExtended strand (participates in β ladder)trans-150.3144.2176.9-69.1169.9-99.600106.3W136 S158W136-E168 WeakPolarHBondContact CA-OE2 3.32Å; W136-E168 VanDerWaalsContact CD1-CD 3.43Å; W136-E168 HydrophobicContact CZ2-CB 4.22Å; W136-E168 WeakPolarHBondContact CZ2-O 3.46Å; W136-E168 PolarHBondContact N-OE2 2.88Å; W136-E168 VanDerWaalsContact NE1-CB 3.35Å; S158-E168 PolarHBondContact N-O 2.95Å; S158-E168 PolarHBondContact OG-N 3.04Å; S158-E168 PolarHBondContact OG-O 3.43Å
169F91.7Very high86Confident128 Ų12867.6 Ų67.656%0.56135%0.345SS*.EExtended strand (participates in β ladder)trans-145156.6175.169.8-88.1000111.9V156 C157 P166V156-F169 CarbonylContact O-C 3.59Å; V156-F169 WeakPolarHBondContact O-CA 3.44Å; V156-F169 WeakPolarHBondContact O-CB 3.32Å; C157-F169 HydrophobicContact CB-CB 4.24Å; C157-F169 VanDerWaalsContact SG-CB 3.57Å; P166-F169 HydrophobicContact CG-CD1 4.42Å
170I91.4Very high85.7Confident21 Ų2168.3 Ų68.311%0.10835%0.349CS..EExtended strand (participates in β ladder)trans-132.6138.2170.3-74.8-177000109.1A135 W136 A155 V156 F175 L205A135-I170 HydrophobicContact CB-CD1 3.55Å; A135-I170 HydrophobicContact CB-CG1 3.75Å; W136-I170 HydrophobicContact CE3-CD1 4.34Å; W136-I170 HydrophobicContact CH2-CB 4.06Å; W136-I170 HydrophobicContact CH2-CD1 4.47Å; W136-I170 HydrophobicContact CH2-CG1 4.1Å; W136-I170 HydrophobicContact CZ3-CB 4.12Å; W136-I170 HydrophobicContact CZ3-CD1 3.84Å; W136-I170 HydrophobicContact CZ3-CG1 3.96Å; A155-I170 CarbonylContact C-O 3.58Å; A155-I170 VanDerWaalsContact CA-O 3.26Å; A155-I170 WeakPolarHBondContact CA-O 3.33Å; V156-I170 PolarHBondContact N-O 3.25Å; V156-I170 PolarHBondContact O-N 2.83Å; I170-F175 HydrophobicContact CG2-CE2 3.88Å; I170-F175 HydrophobicContact CG2-CZ 4.1Å; I170-L205 HydrophobicContact CD1-CD1 3.92Å; I170-L205 HydrophobicContact CD1-CD2 3.69Å; I170-L205 HydrophobicContact CD1-CG 4.4Å; I170-L205 HydrophobicContact CG2-CD1 4.23Å
171Q90.7Very high85Confident104 Ų10466.2 Ų66.249%0.48636%0.355SS..EExtended strand (participates in β ladder)trans-80.6132.5169.1-177.2175.8-21.600110.1F154 D173 F175F154-Q171 WeakPolarHBondContact O-CA 3.17Å; Q171-D173 VanDerWaalsContact C-N 3.27Å; Q171-D173 HydrophobicContact CG-CB 4.05Å; Q171-D173 PolarHBondContact O-N 3.19Å; Q171-F175 WeakPolarHBondContact O-CE2 3.49Å
172L90.1Very high84.6Confident2 Ų269 Ų691%0.0137%0.368CS..  trans-82.55.2-174.1-69.6-176.9000114.9L146 F154 V156 G174 F175 L222 A225 T226L146-L172 HydrophobicContact CD1-CD1 3.51Å; F154-L172 HydrophobicContact CB-CD1 4.38Å; F154-L172 PolarHBondContact O-N 2.98Å; V156-L172 HydrophobicContact CG2-CD1 3.88Å; V156-L172 HydrophobicContact CG2-CD2 3.85Å; V156-L172 HydrophobicContact CG2-CG 3.98Å; L172-G174 PolarHBondContact O-N 3.43Å; L172-F175 WeakPolarHBondContact O-CB 3.3Å; L172-F175 PolarHBondContact O-N 3.45Å; L172-F175 VanDerWaalsContact O-N 3.09Å; L172-L222 HydrophobicContact CD1-CD2 3.62Å; L172-L222 HydrophobicContact CD2-CD2 4.48Å; L172-A225 HydrophobicContact CD1-CB 3.97Å; L172-T226 HydrophobicContact CB-CG2 4.2Å; L172-T226 HydrophobicContact CD1-CG2 4.43Å
173D86.9Confident84.5Confident106 Ų10665.7 Ų65.757%0.56736%0.363SS*.THydrogen-bonded Turntrans-60.2125.6-178.3-179.926.1000111.2Q171 F175 K200Q171-D173 VanDerWaalsContact C-N 3.27Å; Q171-D173 HydrophobicContact CG-CB 4.05Å; Q171-D173 PolarHBondContact O-N 3.19Å; D173-F175 VanDerWaalsContact C-N 3.29Å; D173-F175 PolarHBondContact O-N 2.97Å; D173-K200 WeakPolarHBondContact O-CD 3.21Å; D173-K200 WeakPolarHBondContact O-CE 3.34Å; D173-K200 PolarHBondContact O-NZ 3.41Å
174G83.1Confident84.2Confident48 Ų4861.9 Ų61.950%0.49535%0.348SS..THydrogen-bonded Turntrans69.811.2-176.100000116.4L172 K200L172-G174 PolarHBondContact O-N 3.43Å; G174-K200 WeakPolarHBondContact O-CG 3.33Å
175F89.8Confident83.9Confident9 Ų964.6 Ų64.64%0.03936%0.362CS..  trans-85.6145.3170.8-79.4-91.9000111.6I170 Q171 L172 D173 A198 I199 K200 D203 L205 T226I170-F175 HydrophobicContact CG2-CE2 3.88Å; I170-F175 HydrophobicContact CG2-CZ 4.1Å; Q171-F175 WeakPolarHBondContact O-CE2 3.49Å; L172-F175 WeakPolarHBondContact O-CB 3.3Å; L172-F175 PolarHBondContact O-N 3.45Å; L172-F175 VanDerWaalsContact O-N 3.09Å; D173-F175 VanDerWaalsContact C-N 3.29Å; D173-F175 PolarHBondContact O-N 2.97Å; F175-A198 HydrophobicContact CB-CB 4.39Å; F175-A198 HydrophobicContact CD1-CB 3.87Å; F175-A198 HydrophobicContact CG-CB 4.47Å; F175-I199 CarbonylContact C-O 3.34Å; F175-I199 WeakPolarHBondContact CA-O 3.45Å; F175-K200 HydrophobicContact CD1-CB 3.66Å; F175-K200 HydrophobicContact CD2-CB 4.11Å; F175-K200 HydrophobicContact CD2-CD 3.89Å; F175-K200 HydrophobicContact CE1-CB 3.69Å; F175-K200 HydrophobicContact CE2-CB 4.15Å; F175-K200 HydrophobicContact CE2-CD 3.78Å; F175-K200 HydrophobicContact CG-CB 3.89Å; F175-K200 HydrophobicContact CG-CD 4.48Å; F175-K200 HydrophobicContact CZ-CB 3.95Å; F175-K200 HydrophobicContact CZ-CD 4.25Å; F175-D203 HydrophobicContact CE1-CB 4.43Å; F175-D203 HydrophobicContact CZ-CB 4.29Å; F175-L205 HydrophobicContact CE1-CD1 4.12Å; F175-L205 HydrophobicContact CE1-CG 4.01Å; F175-L205 HydrophobicContact CZ-CD1 4.34Å; F175-L205 HydrophobicContact CZ-CG 4.48Å; F175-T226 HydrophobicContact CB-CG2 4.09Å; F175-T226 WeakPolarHBondContact O-CB 3.49Å; F175-T226 WeakPolarHBondContact O-CG2 3.47Å
176T89.7Confident83.3Confident52 Ų5265.4 Ų65.432%0.31936%0.362SS..EExtended strand (participates in β ladder)trans-117.2130.6172580000110.4A198 I199 Q228 Y230T176-A198 CarbonylContact O-C 3.55Å; T176-A198 VanDerWaalsContact O-CA 3.28Å; T176-A198 WeakPolarHBondContact O-CA 3.44Å; T176-I199 PolarHBondContact N-O 2.65Å; T176-I199 PolarHBondContact O-N 3.35Å; T176-I199 PolarHBondContact OG1-O 2.85Å; T176-Q228 HydrophobicContact CG2-CB 4.42Å; T176-Y230 WeakPolarHBondContact CB-OH 3.4Å; T176-Y230 HydrophobicContact CG2-CE1 4.33Å
177I93.5Very high82.8Confident0 Ų062.8 Ų62.80%035%0.345CS..EExtended strand (participates in β ladder)trans-95.8137.9-176.4-47.3-57000109.4T197 A198 V219 L222 T226 Q228 Y230 P232I177-T197 VanDerWaalsContact CA-O 3.28Å; I177-T197 WeakPolarHBondContact CA-O 3.37Å; I177-A198 HydrophobicContact CD1-CB 3.42Å; I177-A198 VanDerWaalsContact CD1-CB 3.42Å; I177-V219 HydrophobicContact CG2-CB 4.47Å; I177-V219 HydrophobicContact CG2-CG1 4.01Å; I177-V219 HydrophobicContact CG2-CG2 4.36Å; I177-L222 HydrophobicContact CD1-CB 3.79Å; I177-L222 HydrophobicContact CG1-CB 3.73Å; I177-L222 HydrophobicContact CG2-CB 4.36Å; I177-T226 HydrophobicContact CD1-CG2 3.8Å; I177-T226 HydrophobicContact CG1-CG2 3.81Å; I177-Q228 PolarHBondContact O-NE2 3.49Å; I177-Y230 PolarHBondContact O-OH 2.96Å; I177-P232 HydrophobicContact CB-CG 4.43Å; I177-P232 VanDerWaalsContact O-CG 3.29Å; I177-P232 WeakPolarHBondContact O-CG 3.48Å
178D88.8Confident81.8Confident64 Ų6463.7 Ų63.734%0.34235%0.353SS..EExtended strand (participates in β ladder)trans-149.8161.7166.6-154.65.1000113.3F196 T197D178-F196 CarbonylContact O-C 3.51Å; D178-F196 WeakPolarHBondContact O-CA 3.39Å; D178-F196 WeakPolarHBondContact O-CB 3.31Å; D178-T197 PolarHBondContact N-O 3.4Å; D178-T197 PolarHBondContact O-N 3.37Å
179Y87.6Confident80.6Confident13 Ų1365 Ų655%0.05138%0.376CS..EExtended strand (participates in β ladder)trans-73.2133.5172.8-69.4-91.4000110.6P181 R215 H216 V219 P232 V233 P234Y179-P181 WeakPolarHBondContact O-CD 3.42Å; Y179-R215 HydrophobicContact CD1-CG 4.18Å; Y179-R215 HydrophobicContact CE1-CG 3.98Å; Y179-H216 PolarHBondContact OH-ND1 2.89Å; Y179-V219 HydrophobicContact CD1-CG2 4.38Å; Y179-V219 HydrophobicContact CD2-CG1 4.26Å; Y179-V219 HydrophobicContact CE1-CB 4.3Å; Y179-V219 HydrophobicContact CE1-CG1 4.4Å; Y179-V219 HydrophobicContact CE1-CG2 4.03Å; Y179-V219 HydrophobicContact CE2-CB 4.36Å; Y179-V219 HydrophobicContact CE2-CG1 3.61Å; Y179-P232 HydrophobicContact CD2-CB 3.84Å; Y179-P232 HydrophobicContact CE2-CB 3.67Å; Y179-V233 VanDerWaalsContact CD2-C 3.43Å; Y179-V233 WeakPolarHBondContact CD2-O 3.43Å; Y179-P234 HydrophobicContact CE1-CB 4.32Å; Y179-P234 HydrophobicContact CE1-CG 4.28Å; Y179-P234 HydrophobicContact CE2-CB 4.5Å; Y179-P234 HydrophobicContact CE2-CG 4.08Å
180M83.1Confident79.5Confident39 Ų3964.5 Ų64.519%0.19238%0.375CS..  trans-92.7122169.6-66.5-176.475.700109F195 T197 K206M180-F195 HydrophobicContact CB-CB 3.73Å; M180-F195 PolarHBondContact N-O 3.26Å; M180-F195 HydrophobicContact SD-CB 4.44Å; M180-T197 HydrophobicContact CG-CG2 3.92Å; M180-T197 HydrophobicContact SD-CG2 4.35Å; M180-K206 HydrophobicContact CE-CD 4.06Å; M180-K206 HydrophobicContact CE-CG 4.44Å; M180-K206 HydrophobicContact SD-CB 4.39Å; M180-K206 HydrophobicContact SD-CD 4.26Å; M180-K206 HydrophobicContact SD-CG 4.02Å
181P68.1Low78.5Confident108 Ų10864.8 Ų64.870%0.70138%0.383SS*.  trans-79.9-25.6175.131.3-33.5000112.4Y179Y179-P181 WeakPolarHBondContact O-CD 3.42Å
182E69.1Low78Confident156 Ų15660.1 Ų60.173%0.72936%0.363SS*.SBendtrans-92.9134.3179.6-65-179.5-177.900111
183S69.3Low77.5Confident74 Ų7467.1 Ų67.152%0.51739%0.393SS..PPolyproline II helixtrans-85.2133.2175.656.50000111.3P185S183-P185 VanDerWaalsContact O-CD 3.31Å; S183-P185 WeakPolarHBondContact O-CD 3.45Å
184D74.8Confident77.5Confident39 Ų3964 Ų6421%0.20938%0.375CS..PPolyproline II helixtrans-67.9118.5173.6-170.9-29.6000110.6W139 E186 L187 S188 F195W139-D184 HydrophobicContact CZ2-CB 4.23Å; W139-D184 PolarHBondContact NE1-OD2 2.84Å; D184-E186 VanDerWaalsContact C-N 3.3Å; D184-E186 PolarHBondContact O-N 2.98Å; D184-E186 PolarHBondContact OD1-N 3.18Å; D184-L187 HydrophobicContact CB-CB 4.43Å; D184-L187 PolarHBondContact O-N 3.4Å; D184-S188 PolarHBondContact O-N 3.38Å; D184-S188 VanDerWaalsContact O-N 3.08Å; D184-F195 HydrophobicContact CB-CD1 4.33Å; D184-F195 HydrophobicContact CB-CE1 3.58Å; D184-F195 HydrophobicContact CB-CZ 4.05Å
185P69.8Low77.8Confident100 Ų10062 Ų6265%0.64935%0.353SS*.Hα-helixtrans-59.2-35.4-179.3-24.535.3000113.7S183 L187 S188S183-P185 VanDerWaalsContact O-CD 3.31Å; S183-P185 WeakPolarHBondContact O-CD 3.45Å; P185-L187 VanDerWaalsContact C-N 3.3Å; P185-L187 PolarHBondContact O-N 3.38Å; P185-S188 PolarHBondContact O-N 3.41Å; P185-S188 PolarHBondContact O-OG 2.87Å
186E69.4Low77.9Confident139 Ų13961.5 Ų61.565%0.6535%0.351SS*.Hα-helixtrans-65.7-34.1-178.6-72.4-160.9149.300112.5D184 Q190D184-E186 VanDerWaalsContact C-N 3.3Å; D184-E186 PolarHBondContact O-N 2.98Å; D184-E186 PolarHBondContact OD1-N 3.18Å; E186-Q190 PolarHBondContact O-NE2 3.44Å; E186-Q190 VanDerWaalsContact O-NE2 3.11Å
187L75.7Confident78Confident0 Ų059.5 Ų59.50%034%0.338CS..Hα-helixtrans-86.7-28.9-179.7-173.867.9000112.6Y129 W139 D184 P185 A189 Q190 G191 F195 A208Y129-L187 HydrophobicContact CD1-CD1 3.48Å; Y129-L187 VanDerWaalsContact CD1-CD1 3.48Å; Y129-L187 HydrophobicContact CD1-CD2 4.48Å; Y129-L187 HydrophobicContact CE1-CD1 3.97Å; Y129-L187 HydrophobicContact CG-CD1 4.06Å; Y129-L187 HydrophobicContact CG-CD2 4.26Å; W139-L187 HydrophobicContact CB-CD1 3.94Å; W139-L187 HydrophobicContact CD2-CB 4.17Å; W139-L187 HydrophobicContact CD2-CD1 4.04Å; W139-L187 HydrophobicContact CD2-CD2 3.91Å; W139-L187 HydrophobicContact CD2-CG 4.26Å; W139-L187 HydrophobicContact CE3-CD1 4.18Å; W139-L187 HydrophobicContact CE3-CD2 3.71Å; W139-L187 HydrophobicContact CE3-CG 4.45Å; W139-L187 HydrophobicContact CG-CB 4.25Å; W139-L187 HydrophobicContact CG-CD1 3.98Å; W139-L187 HydrophobicContact CH2-CD2 3.92Å; W139-L187 HydrophobicContact CZ2-CD2 4.12Å; W139-L187 HydrophobicContact CZ3-CD2 3.72Å; D184-L187 HydrophobicContact CB-CB 4.43Å; D184-L187 PolarHBondContact O-N 3.4Å; P185-L187 VanDerWaalsContact C-N 3.3Å; P185-L187 PolarHBondContact O-N 3.38Å; L187-A189 PolarHBondContact O-N 2.74Å; L187-Q190 HydrophobicContact CD1-CB 4.28Å; L187-Q190 PolarHBondContact O-N 3.19Å; L187-G191 PolarHBondContact O-N 3.48Å; L187-F195 HydrophobicContact CB-CE1 4.24Å; L187-F195 HydrophobicContact CB-CZ 4.19Å; L187-F195 HydrophobicContact CD2-CE1 3.62Å; L187-F195 HydrophobicContact CD2-CZ 3.87Å; L187-F195 HydrophobicContact CG-CE1 4.45Å; L187-F195 HydrophobicContact CG-CZ 4.38Å; L187-A208 HydrophobicContact CD2-CB 3.37Å
188S65.3Low77.9Confident71 Ų7159.5 Ų59.550%0.49734%0.338SS..Hα-helixtrans-52.1-33.7-177.3720000113.5D184 P185D184-S188 PolarHBondContact O-N 3.38Å; D184-S188 VanDerWaalsContact O-N 3.08Å; P185-S188 PolarHBondContact O-N 3.41Å; P185-S188 PolarHBondContact O-OG 2.87Å
189A64.2Low77.9Confident93 Ų9360 Ų6077%0.76934%0.34SS*.THydrogen-bonded Turntrans-78.7-11.217700000115.2L187L187-A189 PolarHBondContact O-N 2.74Å
190Q69.5Low77.9Confident116 Ų11663.2 Ų63.254%0.54236%0.355SS..THydrogen-bonded Turntrans-113.22.5-173.5-60.8179.15400113.8Y129 E186 L187Y129-Q190 PolarHBondContact OH-O 3Å; E186-Q190 PolarHBondContact O-NE2 3.44Å; E186-Q190 VanDerWaalsContact O-NE2 3.11Å; L187-Q190 HydrophobicContact CD1-CB 4.28Å; L187-Q190 PolarHBondContact O-N 3.19Å
191G70.6Confident77.8Confident28 Ų2870.9 Ų70.929%0.28939%0.39SS..SBendtrans90.485.6178.100000112.9Y129 L187Y129-G191 WeakPolarHBondContact CE2-O 3.45Å; Y129-G191 PolarHBondContact OH-O 3.19Å; L187-G191 PolarHBondContact O-N 3.48Å
192G79.2Confident78.2Confident5 Ų568.5 Ų68.55%0.05239%0.385CS..  trans-169.1119.2169.600000108.1F195G192-F195 WeakPolarHBondContact O-CE2 3.24Å
193K81.1Confident78.9Confident149 Ų14962 Ų6265%0.64836%0.355SS*.  trans-112.3-36.1-167.1-65179.6-175.2172.80113.1T209K193-T209 PolarHBondContact N-O 3.27Å
194H86.9Confident79.8Confident41 Ų4162.3 Ų62.319%0.1935%0.349CS..EExtended strand (participates in β ladder)trans-115.7108.8-170.6-58.7-78.6000109.4A208 T209 D211 E212 R215H194-A208 WeakPolarHBondContact O-CA 3.31Å; H194-T209 PolarHBondContact N-O 2.98Å; H194-T209 PolarHBondContact O-N 3.5Å; H194-T209 PolarHBondContact O-OG1 3.3Å; H194-T209 VanDerWaalsContact O-OG1 3.1Å; H194-D211 VanDerWaalsContact CD2-C 3.45Å; H194-E212 PolarHBondContact CD2-N 3.15Å; H194-E212 IonicContact CE1-OE2 2.61Å; H194-R215 HydrophobicContact CB-CB 3.87Å; H194-R215 HydrophobicContact CB-CG 4.4Å
195F89.1Confident80.5Confident5 Ų560.5 Ų60.52%0.02234%0.339CS..EExtended strand (participates in β ladder)trans-101150.9-170.9-66.3-102000112.7W139 M180 D184 L187 G192 F207 A208 R215W139-F195 HydrophobicContact CH2-CD1 4.33Å; W139-F195 HydrophobicContact CH2-CE1 4.21Å; W139-F195 HydrophobicContact CZ2-CE1 4.16Å; M180-F195 HydrophobicContact CB-CB 3.73Å; M180-F195 PolarHBondContact N-O 3.26Å; M180-F195 HydrophobicContact SD-CB 4.44Å; D184-F195 HydrophobicContact CB-CD1 4.33Å; D184-F195 HydrophobicContact CB-CE1 3.58Å; D184-F195 HydrophobicContact CB-CZ 4.05Å; L187-F195 HydrophobicContact CB-CE1 4.24Å; L187-F195 HydrophobicContact CB-CZ 4.19Å; L187-F195 HydrophobicContact CD2-CE1 3.62Å; L187-F195 HydrophobicContact CD2-CZ 3.87Å; L187-F195 HydrophobicContact CG-CE1 4.45Å; L187-F195 HydrophobicContact CG-CZ 4.38Å; G192-F195 WeakPolarHBondContact O-CE2 3.24Å; F195-F207 WeakPolarHBondContact CA-O 3.31Å; F195-A208 HydrophobicContact CD1-CB 3.63Å; F195-A208 HydrophobicContact CE1-CB 3.66Å; F195-A208 HydrophobicContact CG-CB 4.08Å; F195-A208 HydrophobicContact CZ-CB 4.12Å; F195-R215 WeakPolarHBondContact O-CD 3.4Å; F195-R215 PolarHBondContact O-NH1 3.34Å
196F92.2Very high81.6Confident0 Ų058.3 Ų58.30%032%0.319CS..EExtended strand (participates in β ladder)trans-154.1160.1171.165.4-86.3000109.9D178 F207 T209 R215 W218 V219 L222D178-F196 CarbonylContact O-C 3.51Å; D178-F196 WeakPolarHBondContact O-CA 3.39Å; D178-F196 WeakPolarHBondContact O-CB 3.31Å; F196-F207 HydrophobicContact CD1-CB 3.93Å; F196-F207 HydrophobicContact CD2-CB 3.79Å; F196-F207 HydrophobicContact CD2-CD2 4.09Å; F196-F207 HydrophobicContact CD2-CG 4.23Å; F196-F207 HydrophobicContact CE1-CB 3.52Å; F196-F207 HydrophobicContact CE1-CG 4.47Å; F196-F207 HydrophobicContact CE2-CB 3.32Å; F196-F207 HydrophobicContact CE2-CD1 4.31Å; F196-F207 AromaticContact CE2-CD2 3.6Å; F196-F207 HydrophobicContact CE2-CD2 3.6Å; F196-F207 HydrophobicContact CE2-CE2 4.46Å; F196-F207 AromaticContact CE2-CG 3.52Å; F196-F207 HydrophobicContact CE2-CG 3.52Å; F196-F207 HydrophobicContact CG-CB 4.08Å; F196-F207 HydrophobicContact CZ-CB 3.19Å; F196-F207 HydrophobicContact CZ-CD1 4.21Å; F196-F207 HydrophobicContact CZ-CD2 4.25Å; F196-F207 AromaticContact CZ-CG 3.68Å; F196-F207 HydrophobicContact CZ-CG 3.68Å; F196-F207 PolarHBondContact N-O 3.19Å; F196-F207 PolarHBondContact O-N 2.91Å; F196-F207 VanDerWaalsContact O-O 3.05Å; F196-T209 HydrophobicContact CE1-CG2 4.33Å; F196-R215 HydrophobicContact CD1-CG 3.96Å; F196-W218 HydrophobicContact CE1-CB 3.89Å; F196-W218 HydrophobicContact CE1-CG 4.43Å; F196-W218 HydrophobicContact CE2-CB 4.34Å; F196-W218 HydrophobicContact CZ-CB 3.57Å; F196-W218 HydrophobicContact CZ-CG 4.05Å; F196-V219 HydrophobicContact CB-CG2 3.54Å; F196-V219 HydrophobicContact CD1-CG2 4.12Å; F196-V219 HydrophobicContact CD2-CG2 3.87Å; F196-V219 HydrophobicContact CG-CG2 3.59Å; F196-L222 HydrophobicContact CD2-CD1 4.35Å; F196-L222 HydrophobicContact CE2-CD1 3.46Å; F196-L222 VanDerWaalsContact CE2-CD1 3.46Å; F196-L222 HydrophobicContact CZ-CD1 4.17Å
197T91.8Very high82.7Confident9 Ų951.7 Ų51.76%0.05529%0.288CS..EExtended strand (participates in β ladder)trans-127.3155.4-177.2-176.80000111.9I177 D178 M180 I199 L205I177-T197 VanDerWaalsContact CA-O 3.28Å; I177-T197 WeakPolarHBondContact CA-O 3.37Å; D178-T197 PolarHBondContact N-O 3.4Å; D178-T197 PolarHBondContact O-N 3.37Å; M180-T197 HydrophobicContact CG-CG2 3.92Å; M180-T197 HydrophobicContact SD-CG2 4.35Å; T197-I199 HydrophobicContact CG2-CD1 3.91Å; T197-I199 HydrophobicContact CG2-CG1 3.91Å; T197-I199 WeakPolarHBondContact OG1-CG1 3.1Å; T197-L205 CarbonylContact C-O 3.51Å; T197-L205 VanDerWaalsContact CA-O 3.27Å; T197-L205 WeakPolarHBondContact CA-O 3.46Å; T197-L205 PolarHBondContact OG1-O 3.01Å
198A91.4Very high83.4Confident0 Ų051.7 Ų51.70%029%0.288CS..EExtended strand (participates in β ladder)trans-120.3118.6161.600000108.3F175 T176 I177 L205 F207F175-A198 HydrophobicContact CB-CB 4.39Å; F175-A198 HydrophobicContact CD1-CB 3.87Å; F175-A198 HydrophobicContact CG-CB 4.47Å; T176-A198 CarbonylContact O-C 3.55Å; T176-A198 VanDerWaalsContact O-CA 3.28Å; T176-A198 WeakPolarHBondContact O-CA 3.44Å; I177-A198 HydrophobicContact CD1-CB 3.42Å; I177-A198 VanDerWaalsContact CD1-CB 3.42Å; A198-L205 HydrophobicContact CB-CB 4.25Å; A198-L205 PolarHBondContact N-O 2.85Å; A198-L205 PolarHBondContact O-N 3.4Å; A198-F207 HydrophobicContact CB-CE2 4.2Å
199I88.4Confident84.6Confident75 Ų7548.4 Ų48.439%0.38527%0.265SS..EExtended strand (participates in β ladder)trans-114.1134.3-175.2-53.4178.4000109.8F175 T176 T197 E204F175-I199 CarbonylContact C-O 3.34Å; F175-I199 WeakPolarHBondContact CA-O 3.45Å; T176-I199 PolarHBondContact N-O 2.65Å; T176-I199 PolarHBondContact O-N 3.35Å; T176-I199 PolarHBondContact OG1-O 2.85Å; T197-I199 HydrophobicContact CG2-CD1 3.91Å; T197-I199 HydrophobicContact CG2-CG1 3.91Å; T197-I199 WeakPolarHBondContact OG1-CG1 3.1Å; I199-E204 HydrophobicContact CG1-CG 4.42Å
200K87.8Confident85.7Confident81 Ų8146.4 Ų46.435%0.35224%0.241SC..EExtended strand (participates in β ladder)trans-132.4158.1168.7178.9168.7-176.8172.20108.1D173 G174 F175 G202 D203D173-K200 WeakPolarHBondContact O-CD 3.21Å; D173-K200 WeakPolarHBondContact O-CE 3.34Å; D173-K200 PolarHBondContact O-NZ 3.41Å; G174-K200 WeakPolarHBondContact O-CG 3.33Å; F175-K200 HydrophobicContact CD1-CB 3.66Å; F175-K200 HydrophobicContact CD2-CB 4.11Å; F175-K200 HydrophobicContact CD2-CD 3.89Å; F175-K200 HydrophobicContact CE1-CB 3.69Å; F175-K200 HydrophobicContact CE2-CB 4.15Å; F175-K200 HydrophobicContact CE2-CD 3.78Å; F175-K200 HydrophobicContact CG-CB 3.89Å; F175-K200 HydrophobicContact CG-CD 4.48Å; F175-K200 HydrophobicContact CZ-CB 3.95Å; F175-K200 HydrophobicContact CZ-CD 4.25Å; K200-G202 PolarHBondContact O-N 3.39Å; K200-D203 PolarHBondContact N-O 3.17Å; K200-D203 PolarHBondContact O-N 3.39Å
201E79.8Confident86.4Confident199 Ų19944 Ų4493%0.9323%0.232SC*.THydrogen-bonded Turntrans-54112.9175.6-65.9-168.6152.500111.2
202G76.8Confident87.1Confident58 Ų5846.8 Ų46.860%0.59824%0.238SC*.THydrogen-bonded Turntrans87.5-12-178.800000117.1R133 K200R133-G202 PolarHBondContact NH1-O 3.02Å; K200-G202 PolarHBondContact O-N 3.39Å
203D83.7Confident87.5Confident19 Ų1951.7 Ų51.710%0.10226%0.263CS..EExtended strand (participates in β ladder)trans-132.4135.9-178-156.53.5000112.6N134 F175 K200N134-D203 PolarHBondContact ND2-OD2 3.33Å; F175-D203 HydrophobicContact CE1-CB 4.43Å; F175-D203 HydrophobicContact CZ-CB 4.29Å; K200-D203 PolarHBondContact N-O 3.17Å; K200-D203 PolarHBondContact O-N 3.39Å
204E88.4Confident87.8Confident82 Ų8248 Ų4838%0.38325%0.248SC..EExtended strand (participates in β ladder)trans-133123.8-178-176.1-174.2-153.100108.4I199 K206I199-E204 HydrophobicContact CG1-CG 4.42Å; E204-K206 HydrophobicContact CG-CG 4.35Å; E204-K206 WeakPolarHBondContact OE1-CE 3.42Å; E204-K206 IonicContact OE1-NZ 2.84Å; E204-K206 PolarHBondContact OE1-NZ 2.91Å; E204-K206 WeakPolarHBondContact OE2-CE 3.3Å; E204-K206 IonicContact OE2-NZ 2.68Å; E204-K206 PolarHBondContact OE2-NZ 3.17Å; E204-K206 VanDerWaalsContact OE2-NZ 3.13Å
205L90.4Very high87.9Confident0 Ų046.9 Ų46.90%024%0.242CC..EExtended strand (participates in β ladder)trans-108129.4169.7-51.9-179.8000108.5I131 W136 I170 F175 T197 A198 F207I131-L205 WeakPolarHBondContact O-CA 3.33Å; W136-L205 HydrophobicContact CZ3-CD1 4.27Å; I170-L205 HydrophobicContact CD1-CD1 3.92Å; I170-L205 HydrophobicContact CD1-CD2 3.69Å; I170-L205 HydrophobicContact CD1-CG 4.4Å; I170-L205 HydrophobicContact CG2-CD1 4.23Å; F175-L205 HydrophobicContact CE1-CD1 4.12Å; F175-L205 HydrophobicContact CE1-CG 4.01Å; F175-L205 HydrophobicContact CZ-CD1 4.34Å; F175-L205 HydrophobicContact CZ-CG 4.48Å; T197-L205 CarbonylContact C-O 3.51Å; T197-L205 VanDerWaalsContact CA-O 3.27Å; T197-L205 WeakPolarHBondContact CA-O 3.46Å; T197-L205 PolarHBondContact OG1-O 3.01Å; A198-L205 HydrophobicContact CB-CB 4.25Å; A198-L205 PolarHBondContact N-O 2.85Å; A198-L205 PolarHBondContact O-N 3.4Å; L205-F207 HydrophobicContact CB-CD2 4.33Å; L205-F207 HydrophobicContact CB-CE2 3.66Å; L205-F207 HydrophobicContact CB-CZ 4.26Å; L205-F207 HydrophobicContact CD1-CE2 4.21Å; L205-F207 HydrophobicContact CD1-CZ 4.21Å
206K91.1Very high87.9Confident54 Ų5450.2 Ų50.224%0.23526%0.258CS..EExtended strand (participates in β ladder)trans-111.3131.3172.5-62.8178.5-175.3173.40108.3C130 I131 W139 M180 E204C130-K206 CarbonylContact C-O 3.6Å; C130-K206 VanDerWaalsContact CA-O 3.3Å; C130-K206 WeakPolarHBondContact CA-O 3.31Å; I131-K206 HydrophobicContact CG2-CB 3.89Å; I131-K206 PolarHBondContact N-O 2.83Å; I131-K206 PolarHBondContact O-N 2.67Å; W139-K206 HydrophobicContact CH2-CB 3.71Å; W139-K206 VanDerWaalsContact CH2-O 3.32Å; W139-K206 WeakPolarHBondContact CH2-O 2.97Å; W139-K206 HydrophobicContact CZ2-CB 3.92Å; W139-K206 VanDerWaalsContact CZ3-O 3.3Å; W139-K206 WeakPolarHBondContact CZ3-O 3.43Å; M180-K206 HydrophobicContact CE-CD 4.06Å; M180-K206 HydrophobicContact CE-CG 4.44Å; M180-K206 HydrophobicContact SD-CB 4.39Å; M180-K206 HydrophobicContact SD-CD 4.26Å; M180-K206 HydrophobicContact SD-CG 4.02Å; E204-K206 HydrophobicContact CG-CG 4.35Å; E204-K206 WeakPolarHBondContact OE1-CE 3.42Å; E204-K206 IonicContact OE1-NZ 2.84Å; E204-K206 PolarHBondContact OE1-NZ 2.91Å; E204-K206 WeakPolarHBondContact OE2-CE 3.3Å; E204-K206 IonicContact OE2-NZ 2.68Å; E204-K206 PolarHBondContact OE2-NZ 3.17Å; E204-K206 VanDerWaalsContact OE2-NZ 3.13Å
207F92.6Very high87.8Confident1 Ų154.5 Ų54.50%0.00428%0.28CS..EExtended strand (participates in β ladder)trans-120150.1178.9-65.1-93.7000110.1Y129 C130 F195 F196 A198 L205Y129-F207 CarbonylContact O-C 3.59Å; Y129-F207 WeakPolarHBondContact O-CA 3.39Å; C130-F207 HydrophobicContact CB-CD1 3.64Å; C130-F207 HydrophobicContact CB-CE1 3.74Å; C130-F207 HydrophobicContact CB-CG 4.46Å; C130-F207 WeakPolarHBondContact SG-CE1 3.4Å; F195-F207 WeakPolarHBondContact CA-O 3.31Å; F196-F207 HydrophobicContact CD1-CB 3.93Å; F196-F207 HydrophobicContact CD2-CB 3.79Å; F196-F207 HydrophobicContact CD2-CD2 4.09Å; F196-F207 HydrophobicContact CD2-CG 4.23Å; F196-F207 HydrophobicContact CE1-CB 3.52Å; F196-F207 HydrophobicContact CE1-CG 4.47Å; F196-F207 HydrophobicContact CE2-CB 3.32Å; F196-F207 HydrophobicContact CE2-CD1 4.31Å; F196-F207 AromaticContact CE2-CD2 3.6Å; F196-F207 HydrophobicContact CE2-CD2 3.6Å; F196-F207 HydrophobicContact CE2-CE2 4.46Å; F196-F207 AromaticContact CE2-CG 3.52Å; F196-F207 HydrophobicContact CE2-CG 3.52Å; F196-F207 HydrophobicContact CG-CB 4.08Å; F196-F207 HydrophobicContact CZ-CB 3.19Å; F196-F207 HydrophobicContact CZ-CD1 4.21Å; F196-F207 HydrophobicContact CZ-CD2 4.25Å; F196-F207 AromaticContact CZ-CG 3.68Å; F196-F207 HydrophobicContact CZ-CG 3.68Å; F196-F207 PolarHBondContact N-O 3.19Å; F196-F207 PolarHBondContact O-N 2.91Å; F196-F207 VanDerWaalsContact O-O 3.05Å; A198-F207 HydrophobicContact CB-CE2 4.2Å; L205-F207 HydrophobicContact CB-CD2 4.33Å; L205-F207 HydrophobicContact CB-CE2 3.66Å; L205-F207 HydrophobicContact CB-CZ 4.26Å; L205-F207 HydrophobicContact CD1-CE2 4.21Å; L205-F207 HydrophobicContact CD1-CZ 4.21Å
208A91.5Very high87.8Confident0 Ų054.2 Ų54.20%028%0.278CS..EExtended strand (participates in β ladder)trans-143153.6171.800000112.1C128 Y129 W139 L187 H194 F195C128-A208 WeakPolarHBondContact CB-O 3.42Å; Y129-A208 PolarHBondContact N-O 3.24Å; Y129-A208 PolarHBondContact O-N 2.85Å; W139-A208 HydrophobicContact CH2-CB 4.38Å; W139-A208 HydrophobicContact CZ3-CB 4.35Å; L187-A208 HydrophobicContact CD2-CB 3.37Å; H194-A208 WeakPolarHBondContact O-CA 3.31Å; F195-A208 HydrophobicContact CD1-CB 3.63Å; F195-A208 HydrophobicContact CE1-CB 3.66Å; F195-A208 HydrophobicContact CG-CB 4.08Å; F195-A208 HydrophobicContact CZ-CB 4.12Å
209T90Very high87.9Confident1 Ų154.2 Ų54.21%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-133.6157.8-179.444.60000109.9C128 K193 H194 F196 D211 E214 R215C128-T209 HydrophobicContact CB-CG2 3.93Å; K193-T209 PolarHBondContact N-O 3.27Å; H194-T209 PolarHBondContact N-O 2.98Å; H194-T209 PolarHBondContact O-N 3.5Å; H194-T209 PolarHBondContact O-OG1 3.3Å; H194-T209 VanDerWaalsContact O-OG1 3.1Å; F196-T209 HydrophobicContact CE1-CG2 4.33Å; T209-D211 PolarHBondContact OG1-O 3.37Å; T209-E214 HydrophobicContact CG2-CB 4.16Å; T209-R215 WeakPolarHBondContact OG1-CB 3.39Å; T209-R215 PolarHBondContact OG1-N 3.2Å
210D87.2Confident88Confident51 Ų5151.8 Ų51.827%0.27327%0.265SS..SBendtrans-83.3-23.7179.2-71.1-57.8000112.6K141K141-D210 IonicContact NZ-OD2 3.13Å; K141-D210 PolarHBondContact NZ-OD2 2.94Å
211D85.4Confident88.1Confident67 Ų6748.7 Ų48.736%0.35826%0.255SS..SBendtrans-120.4145.5-179.2176.9-98.5000112H194 T209 N213 E214 R215H194-D211 VanDerWaalsContact CD2-C 3.45Å; T209-D211 PolarHBondContact OG1-O 3.37Å; D211-N213 VanDerWaalsContact OD1-CA 3.31Å; D211-N213 WeakPolarHBondContact OD1-CA 3.43Å; D211-N213 WeakPolarHBondContact OD1-CB 2.86Å; D211-N213 PolarHBondContact OD1-N 2.72Å; D211-N213 PolarHBondContact OD1-ND2 2.99Å; D211-N213 VanDerWaalsContact OD1-ND2 3.11Å; D211-N213 PolarHBondContact OD2-ND2 3.45Å; D211-E214 HydrophobicContact CB-CB 4.26Å; D211-E214 HydrophobicContact CB-CG 4.15Å; D211-E214 PolarHBondContact OD1-N 3.25Å; D211-R215 PolarHBondContact O-N 3.11Å; D211-R215 VanDerWaalsContact O-N 3.15Å
212E84.2Confident88.7Confident86 Ų8639.3 Ų39.340%0.40221%0.21SC..Hα-helixtrans-74.3-31.6-176.8-177.1149.8-146.600113.7H194 R215 H216H194-E212 PolarHBondContact CD2-N 3.15Å; H194-E212 IonicContact CE1-OE2 2.61Å; E212-R215 WeakPolarHBondContact O-CB 3.49Å; E212-R215 PolarHBondContact O-N 2.98Å; E212-R215 IonicContact OE1-CZ 3.33Å; E212-R215 IonicContact OE1-NH2 2.68Å; E212-R215 PolarHBondContact OE1-NH2 3.45Å; E212-H216 PolarHBondContact O-N 3.24Å
213N87.1Confident89.4Confident108 Ų10839 Ų3958%0.57819%0.192SC*.Hα-helixtrans-71.7-39.1176.5-47.3-77.4000109.8D211 R215 H216 L217D211-N213 VanDerWaalsContact OD1-CA 3.31Å; D211-N213 WeakPolarHBondContact OD1-CA 3.43Å; D211-N213 WeakPolarHBondContact OD1-CB 2.86Å; D211-N213 PolarHBondContact OD1-N 2.72Å; D211-N213 PolarHBondContact OD1-ND2 2.99Å; D211-N213 VanDerWaalsContact OD1-ND2 3.11Å; D211-N213 PolarHBondContact OD2-ND2 3.45Å; N213-R215 VanDerWaalsContact C-N 3.34Å; N213-R215 PolarHBondContact O-N 3Å; N213-H216 PolarHBondContact O-N 3.35Å; N213-L217 WeakPolarHBondContact O-CB 3.43Å; N213-L217 VanDerWaalsContact O-CG 3.3Å; N213-L217 WeakPolarHBondContact O-CG 3.28Å; N213-L217 PolarHBondContact O-N 3Å
214E87.3Confident89.7Confident72 Ų7247.1 Ų47.134%0.33622%0.221SC..Hα-helixtrans-57.7-44.2169.7-73.3-164.8151.200111.9T209 D211 H216 L217 W218T209-E214 HydrophobicContact CG2-CB 4.16Å; D211-E214 HydrophobicContact CB-CB 4.26Å; D211-E214 HydrophobicContact CB-CG 4.15Å; D211-E214 PolarHBondContact OD1-N 3.25Å; E214-H216 PolarHBondContact O-N 2.92Å; E214-L217 PolarHBondContact O-N 3.06Å; E214-W218 WeakPolarHBondContact O-CB 3.44Å; E214-W218 VanDerWaalsContact O-CD1 3.3Å; E214-W218 PolarHBondContact O-N 2.81Å
215R89.2Confident89.7Confident16 Ų1643.7 Ų43.76%0.0621%0.206CC..Hα-helixtrans-54.7-52.1171.3174.6171.366.1168.4-0.6111.2Y179 H194 F195 F196 T209 D211 E212 N213 L217 W218 V219Y179-R215 HydrophobicContact CD1-CG 4.18Å; Y179-R215 HydrophobicContact CE1-CG 3.98Å; H194-R215 HydrophobicContact CB-CB 3.87Å; H194-R215 HydrophobicContact CB-CG 4.4Å; F195-R215 WeakPolarHBondContact O-CD 3.4Å; F195-R215 PolarHBondContact O-NH1 3.34Å; F196-R215 HydrophobicContact CD1-CG 3.96Å; T209-R215 WeakPolarHBondContact OG1-CB 3.39Å; T209-R215 PolarHBondContact OG1-N 3.2Å; D211-R215 PolarHBondContact O-N 3.11Å; D211-R215 VanDerWaalsContact O-N 3.15Å; E212-R215 WeakPolarHBondContact O-CB 3.49Å; E212-R215 PolarHBondContact O-N 2.98Å; E212-R215 IonicContact OE1-CZ 3.33Å; E212-R215 IonicContact OE1-NH2 2.68Å; E212-R215 PolarHBondContact OE1-NH2 3.45Å; N213-R215 VanDerWaalsContact C-N 3.34Å; N213-R215 PolarHBondContact O-N 3Å; R215-L217 VanDerWaalsContact C-N 3.33Å; R215-L217 PolarHBondContact O-N 3.45Å; R215-W218 PolarHBondContact O-N 3.39Å; R215-V219 HydrophobicContact CG-CG2 4.24Å; R215-V219 WeakPolarHBondContact O-CG2 3.44Å; R215-V219 PolarHBondContact O-N 2.91Å
216H88.8Confident89.5Confident76 Ų7644.9 Ų44.935%0.35221%0.214SC..Hα-helixtrans-60.6-44.2-175.7-170.179.6000111.6Y179 E212 N213 E214 V219 Q220Y179-H216 PolarHBondContact OH-ND1 2.89Å; E212-H216 PolarHBondContact O-N 3.24Å; N213-H216 PolarHBondContact O-N 3.35Å; E214-H216 PolarHBondContact O-N 2.92Å; H216-V219 PolarHBondContact O-N 3.49Å; H216-Q220 WeakPolarHBondContact O-CB 3.36Å; H216-Q220 WeakPolarHBondContact O-CG 3.26Å; H216-Q220 PolarHBondContact O-N 3.34Å
217L91.3Very high89Confident90 Ų9045.3 Ų45.347%0.47123%0.233SC..Hα-helixtrans-64.6-42.5177.6-68.5170000112.1Y124 N213 E214 R215 Q220 A221Y124-L217 HydrophobicContact CE1-CB 4.33Å; Y124-L217 HydrophobicContact CE2-CB 4.13Å; Y124-L217 VanDerWaalsContact OH-CB 3.28Å; Y124-L217 WeakPolarHBondContact OH-CB 3.4Å; N213-L217 WeakPolarHBondContact O-CB 3.43Å; N213-L217 VanDerWaalsContact O-CG 3.3Å; N213-L217 WeakPolarHBondContact O-CG 3.28Å; N213-L217 PolarHBondContact O-N 3Å; E214-L217 PolarHBondContact O-N 3.06Å; R215-L217 VanDerWaalsContact C-N 3.33Å; R215-L217 PolarHBondContact O-N 3.45Å; L217-Q220 PolarHBondContact O-N 3.37Å; L217-A221 VanDerWaalsContact O-CB 3.26Å; L217-A221 WeakPolarHBondContact O-CB 3.21Å; L217-A221 PolarHBondContact O-N 2.97Å
218W92.3Very high88.7Confident2 Ų246.1 Ų46.11%0.00824%0.237CC..Hα-helixtrans-61.4-47.1173.7-90.4114000112.3Y124 F144 L146 F196 E214 R215 A221 L222Y124-W218 AromaticContact CD1-CD2 3.63Å; Y124-W218 HydrophobicContact CD1-CD2 3.63Å; Y124-W218 AromaticContact CD1-CE2 3.82Å; Y124-W218 AromaticContact CD1-CE3 3.65Å; Y124-W218 HydrophobicContact CD1-CE3 3.65Å; Y124-W218 HydrophobicContact CD1-CG 4.22Å; Y124-W218 HydrophobicContact CD1-CH2 4.01Å; Y124-W218 HydrophobicContact CD1-CZ2 4.02Å; Y124-W218 AromaticContact CD1-CZ3 3.84Å; Y124-W218 HydrophobicContact CD1-CZ3 3.84Å; Y124-W218 AromaticContact CE1-CD1 3.89Å; Y124-W218 AromaticContact CE1-CD2 3.62Å; Y124-W218 HydrophobicContact CE1-CD2 3.62Å; Y124-W218 AromaticContact CE1-CE2 3.63Å; Y124-W218 HydrophobicContact CE1-CE3 4.14Å; Y124-W218 AromaticContact CE1-CG 3.8Å; Y124-W218 HydrophobicContact CE1-CG 3.8Å; Y124-W218 HydrophobicContact CE1-CZ2 4.16Å; Y124-W218 AromaticContact CE1-NE1 3.8Å; F144-W218 HydrophobicContact CB-CH2 3.62Å; F144-W218 HydrophobicContact CB-CZ2 3.94Å; L146-W218 HydrophobicContact CB-CZ3 4.38Å; F196-W218 HydrophobicContact CE1-CB 3.89Å; F196-W218 HydrophobicContact CE1-CG 4.43Å; F196-W218 HydrophobicContact CE2-CB 4.34Å; F196-W218 HydrophobicContact CZ-CB 3.57Å; F196-W218 HydrophobicContact CZ-CG 4.05Å; E214-W218 WeakPolarHBondContact O-CB 3.44Å; E214-W218 VanDerWaalsContact O-CD1 3.3Å; E214-W218 PolarHBondContact O-N 2.81Å; R215-W218 PolarHBondContact O-N 3.39Å; W218-A221 PolarHBondContact O-N 3.49Å; W218-L222 HydrophobicContact CE3-CD1 4.14Å; W218-L222 HydrophobicContact CE3-CG 4.25Å; W218-L222 WeakPolarHBondContact O-CB 3.31Å; W218-L222 VanDerWaalsContact O-CG 3.28Å; W218-L222 WeakPolarHBondContact O-CG 3.36Å; W218-L222 PolarHBondContact O-N 3.42Å
219V91.9Very high87.9Confident0 Ų050.8 Ų50.80%028%0.276CS..Hα-helixtrans-62.8-44.6178.5171.40000111.1I177 Y179 F196 R215 H216 A221 L222 Y223 P232I177-V219 HydrophobicContact CG2-CB 4.47Å; I177-V219 HydrophobicContact CG2-CG1 4.01Å; I177-V219 HydrophobicContact CG2-CG2 4.36Å; Y179-V219 HydrophobicContact CD1-CG2 4.38Å; Y179-V219 HydrophobicContact CD2-CG1 4.26Å; Y179-V219 HydrophobicContact CE1-CB 4.3Å; Y179-V219 HydrophobicContact CE1-CG1 4.4Å; Y179-V219 HydrophobicContact CE1-CG2 4.03Å; Y179-V219 HydrophobicContact CE2-CB 4.36Å; Y179-V219 HydrophobicContact CE2-CG1 3.61Å; F196-V219 HydrophobicContact CB-CG2 3.54Å; F196-V219 HydrophobicContact CD1-CG2 4.12Å; F196-V219 HydrophobicContact CD2-CG2 3.87Å; F196-V219 HydrophobicContact CG-CG2 3.59Å; R215-V219 HydrophobicContact CG-CG2 4.24Å; R215-V219 WeakPolarHBondContact O-CG2 3.44Å; R215-V219 PolarHBondContact O-N 2.91Å; H216-V219 PolarHBondContact O-N 3.49Å; V219-A221 PolarHBondContact O-N 2.87Å; V219-L222 PolarHBondContact O-N 3.2Å; V219-Y223 WeakPolarHBondContact O-CB 3.34Å; V219-Y223 PolarHBondContact O-N 3.49Å; V219-P232 HydrophobicContact CG1-CB 3.59Å; V219-P232 HydrophobicContact CG1-CG 3.92Å
220Q90.6Very high87.5Confident25 Ų2555.8 Ų55.812%0.11730%0.295CS..Hα-helixtrans-64.2-37.8176-71-58.9-49.900112.7H216 L217 R224H216-Q220 WeakPolarHBondContact O-CB 3.36Å; H216-Q220 WeakPolarHBondContact O-CG 3.26Å; H216-Q220 PolarHBondContact O-N 3.34Å; L217-Q220 PolarHBondContact O-N 3.37Å; Q220-R224 VanDerWaalsContact O-CG 3.28Å; Q220-R224 WeakPolarHBondContact O-CG 3.27Å; Q220-R224 PolarHBondContact O-N 3.02Å
221A90.9Very high87.3Confident16 Ų1659.4 Ų59.413%0.13231%0.309CS..Hα-helixtrans-67.9-45.217800000111.9Y124 L146 L217 W218 V219 R224 A225Y124-A221 HydrophobicContact CD1-CB 4.11Å; Y124-A221 HydrophobicContact CD2-CB 4.49Å; Y124-A221 HydrophobicContact CG-CB 3.81Å; L146-A221 HydrophobicContact CD2-CB 3.9Å; L146-A221 WeakPolarHBondContact CD2-O 3.27Å; L217-A221 VanDerWaalsContact O-CB 3.26Å; L217-A221 WeakPolarHBondContact O-CB 3.21Å; L217-A221 PolarHBondContact O-N 2.97Å; W218-A221 PolarHBondContact O-N 3.49Å; V219-A221 PolarHBondContact O-N 2.87Å; A221-R224 PolarHBondContact O-N 3.46Å; A221-A225 PolarHBondContact O-N 2.67Å
222L92.1Very high87.2Confident1 Ų156.4 Ų56.41%0.00529%0.292CS..Hα-helixtrans-70.7-40.4179.2-66.3167.4000111.7L146 V156 L172 I177 F196 W218 V219 R224 A225 T226L146-L222 HydrophobicContact CD1-CD2 4Å; L146-L222 HydrophobicContact CD2-CD2 4.1Å; V156-L222 HydrophobicContact CG2-CD2 3.56Å; L172-L222 HydrophobicContact CD1-CD2 3.62Å; L172-L222 HydrophobicContact CD2-CD2 4.48Å; I177-L222 HydrophobicContact CD1-CB 3.79Å; I177-L222 HydrophobicContact CG1-CB 3.73Å; I177-L222 HydrophobicContact CG2-CB 4.36Å; F196-L222 HydrophobicContact CD2-CD1 4.35Å; F196-L222 HydrophobicContact CE2-CD1 3.46Å; F196-L222 VanDerWaalsContact CE2-CD1 3.46Å; F196-L222 HydrophobicContact CZ-CD1 4.17Å; W218-L222 HydrophobicContact CE3-CD1 4.14Å; W218-L222 HydrophobicContact CE3-CG 4.25Å; W218-L222 WeakPolarHBondContact O-CB 3.31Å; W218-L222 VanDerWaalsContact O-CG 3.28Å; W218-L222 WeakPolarHBondContact O-CG 3.36Å; W218-L222 PolarHBondContact O-N 3.42Å; V219-L222 PolarHBondContact O-N 3.2Å; L222-R224 VanDerWaalsContact C-N 3.31Å; L222-R224 PolarHBondContact O-N 3.01Å; L222-A225 CarbonylContact O-C 3.58Å; L222-A225 WeakPolarHBondContact O-CA 3.4Å; L222-A225 PolarHBondContact O-N 2.99Å; L222-T226 PolarHBondContact O-N 3.14Å; L222-T226 PolarHBondContact O-OG1 3.08Å; L222-T226 VanDerWaalsContact O-OG1 3.1Å
223Y90.9Very high86.9Confident51 Ų5157 Ų5720%0.230%0.302CS..Hα-helixtrans-51.4-47.5171.6164.7-114.4000112.4V219 A225 T226 G227 Q228 Y230 K231 P232V219-Y223 WeakPolarHBondContact O-CB 3.34Å; V219-Y223 PolarHBondContact O-N 3.49Å; Y223-A225 VanDerWaalsContact C-N 3.26Å; Y223-A225 PolarHBondContact O-N 2.96Å; Y223-T226 PolarHBondContact O-OG1 3.42Å; Y223-T226 VanDerWaalsContact O-OG1 3.12Å; Y223-G227 PolarHBondContact O-N 2.91Å; Y223-G227 VanDerWaalsContact O-N 3.16Å; Y223-Q228 HydrophobicContact CD2-CG 3.43Å; Y223-Q228 VanDerWaalsContact CD2-CG 3.43Å; Y223-Q228 HydrophobicContact CE2-CG 3.65Å; Y223-Q228 VanDerWaalsContact CE2-O 3.31Å; Y223-Q228 WeakPolarHBondContact CE2-O 3.37Å; Y223-Y230 WeakPolarHBondContact CE2-O 3.48Å; Y223-K231 HydrophobicContact CD1-CG 4.48Å; Y223-K231 HydrophobicContact CE1-CB 4.34Å; Y223-K231 HydrophobicContact CE1-CG 4Å; Y223-K231 HydrophobicContact CE2-CB 4.23Å; Y223-P232 HydrophobicContact CD2-CG 4.22Å; Y223-P232 HydrophobicContact CG-CG 4.46Å
224R89.6Confident86.1Confident191 Ų19154.2 Ų54.272%0.72129%0.29SS*.Hα-helixtrans-68-24.7177.7-69.9172.7-173.8-165.51.6113.4Q220 A221 L222Q220-R224 VanDerWaalsContact O-CG 3.28Å; Q220-R224 WeakPolarHBondContact O-CG 3.27Å; Q220-R224 PolarHBondContact O-N 3.02Å; A221-R224 PolarHBondContact O-N 3.46Å; L222-R224 VanDerWaalsContact C-N 3.31Å; L222-R224 PolarHBondContact O-N 3.01Å
225A88.7Confident85Confident9 Ų953.5 Ų53.57%0.07429%0.291CS..Hα-helixtrans-92-24.7-178.900000113.5L146 F154 L172 A221 L222 Y223L146-A225 HydrophobicContact CD1-CB 3.87Å; L146-A225 HydrophobicContact CD2-CB 3.88Å; L146-A225 HydrophobicContact CG-CB 4.28Å; F154-A225 HydrophobicContact CB-CB 3.82Å; F154-A225 HydrophobicContact CD1-CB 3.7Å; F154-A225 HydrophobicContact CD2-CB 4.11Å; F154-A225 WeakPolarHBondContact CD2-O 3.47Å; F154-A225 HydrophobicContact CE1-CB 4.27Å; F154-A225 HydrophobicContact CG-CB 3.61Å; L172-A225 HydrophobicContact CD1-CB 3.97Å; A221-A225 PolarHBondContact O-N 2.67Å; L222-A225 CarbonylContact O-C 3.58Å; L222-A225 WeakPolarHBondContact O-CA 3.4Å; L222-A225 PolarHBondContact O-N 2.99Å; Y223-A225 VanDerWaalsContact C-N 3.26Å; Y223-A225 PolarHBondContact O-N 2.96Å
226T87.3Confident83.2Confident25 Ų2561.3 Ų61.315%0.15333%0.326CS..Hα-helixtrans-82-26.4171.651.10000112.4L172 F175 I177 L222 Y223 Q228L172-T226 HydrophobicContact CB-CG2 4.2Å; L172-T226 HydrophobicContact CD1-CG2 4.43Å; F175-T226 HydrophobicContact CB-CG2 4.09Å; F175-T226 WeakPolarHBondContact O-CB 3.49Å; F175-T226 WeakPolarHBondContact O-CG2 3.47Å; I177-T226 HydrophobicContact CD1-CG2 3.8Å; I177-T226 HydrophobicContact CG1-CG2 3.81Å; L222-T226 PolarHBondContact O-N 3.14Å; L222-T226 PolarHBondContact O-OG1 3.08Å; L222-T226 VanDerWaalsContact O-OG1 3.1Å; Y223-T226 PolarHBondContact O-OG1 3.42Å; Y223-T226 VanDerWaalsContact O-OG1 3.12Å; T226-Q228 PolarHBondContact O-N 2.72Å; T226-Q228 PolarHBondContact OG1-OE1 2.82Å
227G81.1Confident81.4Confident63 Ų6367.2 Ų67.265%0.64935%0.354SS*.THydrogen-bonded Turntrans68.215.9-179.500000113.8Y223Y223-G227 PolarHBondContact O-N 2.91Å; Y223-G227 VanDerWaalsContact O-N 3.16Å
228Q84.9Confident78.8Confident19 Ų1967 Ų679%0.08936%0.36CS..  trans-57.2142.6177.369.4-169.273.400111.3T176 I177 Y223 T226 Y230T176-Q228 HydrophobicContact CG2-CB 4.42Å; I177-Q228 PolarHBondContact O-NE2 3.49Å; Y223-Q228 HydrophobicContact CD2-CG 3.43Å; Y223-Q228 VanDerWaalsContact CD2-CG 3.43Å; Y223-Q228 HydrophobicContact CE2-CG 3.65Å; Y223-Q228 VanDerWaalsContact CE2-O 3.31Å; Y223-Q228 WeakPolarHBondContact CE2-O 3.37Å; T226-Q228 PolarHBondContact O-N 2.72Å; T226-Q228 PolarHBondContact OG1-OE1 2.82Å; Q228-Y230 WeakPolarHBondContact CG-O 3.35Å; Q228-Y230 VanDerWaalsContact NE2-CE2 3.34Å; Q228-Y230 VanDerWaalsContact NE2-CZ 3.31Å; Q228-Y230 PolarHBondContact NE2-O 2.85Å; Q228-Y230 PolarHBondContact O-N 3.26Å
229A74.9Confident76.5Confident97 Ų9773 Ų7380%0.80240%0.396SS*.SBendtrans-66.6-39.7-176.500000113.4
230Y81.1Confident74.2Confident107 Ų10780.6 Ų80.642%0.4244%0.435SS..SBendtrans-85.8128.7-17874.7-88.1000111.6T176 I177 Y223 Q228 P232T176-Y230 WeakPolarHBondContact CB-OH 3.4Å; T176-Y230 HydrophobicContact CG2-CE1 4.33Å; I177-Y230 PolarHBondContact O-OH 2.96Å; Y223-Y230 WeakPolarHBondContact CE2-O 3.48Å; Q228-Y230 WeakPolarHBondContact CG-O 3.35Å; Q228-Y230 VanDerWaalsContact NE2-CE2 3.34Å; Q228-Y230 VanDerWaalsContact NE2-CZ 3.31Å; Q228-Y230 PolarHBondContact NE2-O 2.85Å; Q228-Y230 PolarHBondContact O-N 3.26Å; Y230-P232 WeakPolarHBondContact O-CD 3.49Å
231K82.9Confident72Confident127 Ų12783.8 Ų83.855%0.55247%0.466SS*.PPolyproline II helixtrans-76.8124174.9-174.4177179.9-178.90110.4Y223 V233Y223-K231 HydrophobicContact CD1-CG 4.48Å; Y223-K231 HydrophobicContact CE1-CB 4.34Å; Y223-K231 HydrophobicContact CE1-CG 4Å; Y223-K231 HydrophobicContact CE2-CB 4.23Å; K231-V233 PolarHBondContact O-N 3.44Å
232P84.1Confident69.7Low3 Ų389 Ų892%0.01950%0.498CS..PPolyproline II helixtrans-61131.8175.5-25.936.6000111.4I177 Y179 V219 Y223 Y230I177-P232 HydrophobicContact CB-CG 4.43Å; I177-P232 VanDerWaalsContact O-CG 3.29Å; I177-P232 WeakPolarHBondContact O-CG 3.48Å; Y179-P232 HydrophobicContact CD2-CB 3.84Å; Y179-P232 HydrophobicContact CE2-CB 3.67Å; V219-P232 HydrophobicContact CG1-CB 3.59Å; V219-P232 HydrophobicContact CG1-CG 3.92Å; Y223-P232 HydrophobicContact CD2-CG 4.22Å; Y223-P232 HydrophobicContact CG-CG 4.46Å; Y230-P232 WeakPolarHBondContact O-CD 3.49Å
233V77.4Confident67.3Low98 Ų9898.5 Ų98.559%0.59454%0.54SS*.  trans-109.2127.5-178.8-176.50000109.1Y179 K231Y179-V233 VanDerWaalsContact CD2-C 3.43Å; Y179-V233 WeakPolarHBondContact CD2-O 3.43Å; K231-V233 PolarHBondContact O-N 3.44Å
234P71.6Confident65Low51 Ų51101.2 Ų101.233%0.33157%0.573SS.*  trans-56.9134.7174.7-22.131.7000110.8Y179 K236Y179-P234 HydrophobicContact CE1-CB 4.32Å; Y179-P234 HydrophobicContact CE1-CG 4.28Å; Y179-P234 HydrophobicContact CE2-CB 4.5Å; Y179-P234 HydrophobicContact CE2-CG 4.08Å; P234-K236 PolarHBondContact O-N 2.92Å
235P64.4Low62.8Low57 Ų57100.9 Ų100.937%0.3758%0.579SS.*  trans-62.8113.9178.424.2-32.8000109.5Q237P235-Q237 PolarHBondContact O-N 3.48Å
236K51.4Low60.6Low180 Ų180103 Ų10378%0.78360%0.601SS**  trans-61.6130.2172.9-64.9-177.8-179.9-179.50108.4P234 S238P234-K236 PolarHBondContact O-N 2.92Å; K236-S238 PolarHBondContact O-N 2.84Å
237Q50.4Low58.7Low200 Ų200111.2 Ų111.294%0.93564%0.636SS**SBendtrans-70.276.8174-77.4-174.7-14.200111.2P235P235-Q237 PolarHBondContact O-N 3.48Å
238S35.4Very low57.2Low86 Ų86115.5 Ų115.560%0.60164%0.639SS**SBendtrans-165.1102.8164.558.20000110.6K236K236-S238 PolarHBondContact O-N 2.84Å
239T44Very low55.6Low126 Ų126120.6 Ų120.677%0.77367%0.667SS**  trans35.4123.7144.733.10000121.3
240I44.3Very low54.7Low160 Ų160123.7 Ų123.782%0.82166%0.662SS**  trans84.4110.3152.6-54160.7000115.7
241A43.5Very low53.4Low92 Ų92119.7 Ų119.776%0.7665%0.651SS**PPolyproline II helixtrans-76.2143.1171.900000112.1
242P42.7Very low52.1Low125 Ų125116 Ų11681%0.81264%0.642SS**PPolyproline II helixtrans-90.1124.8167.432.9-28.3000110.9
243K43.7Very low50.9Low202 Ų202124.8 Ų124.888%0.87868%0.679SS**PPolyproline II helixtrans-71.9140.7155.3-75-176.1176.6-179.50108.4Q245K243-Q245 PolarHBondContact O-N 3.48Å
244A41.8Very low50.3Low108 Ų108127.5 Ų127.589%0.89369%0.685SS**PPolyproline II helixtrans-62.6128.7-179.600000111.7
245Q42.3Very low50Low184 Ų184127.9 Ų127.986%0.8670%0.698SS**  trans-141.4136.9167.3-153.2155.6-5.200107.9K243K243-Q245 PolarHBondContact O-N 3.48Å
246G43.2Very low49.9Very low52 Ų52128.7 Ų128.754%0.53670%0.698SS.*  trans-63.8150.8-15000000117Q248G246-Q248 PolarHBondContact O-N 3.31Å
247F46.9Very low50.7Low199 Ų199123 Ų12387%0.87368%0.676SS**THydrogen-bonded Turntrans-64.8-22.5178-112-101.9000114.1D249 K250F247-D249 PolarHBondContact O-N 3.07Å; F247-K250 PolarHBondContact O-N 2.95Å
248Q49.9Very low51.3Low153 Ų153117.3 Ų117.372%0.71566%0.663SS**Hα-helixtrans-62.1-44.2-173.5-73.3174.3-48.400113.3G246 K250 A251 S252G246-Q248 PolarHBondContact O-N 3.31Å; Q248-K250 PolarHBondContact O-N 3.34Å; Q248-K250 VanDerWaalsContact O-N 3.15Å; Q248-A251 PolarHBondContact O-N 3.48Å; Q248-S252 PolarHBondContact O-N 3.43Å
249D52.1Low52.4Low126 Ų126119.8 Ų119.867%0.67467%0.667SS**Hα-helixtrans-64.2-22.4-176.2-81.1-12.3000114.3F247F247-D249 PolarHBondContact O-N 3.07Å
250K55.7Low53.4Low161 Ų161117.6 Ų117.670%0.765%0.649SS**Hα-helixtrans-83.6-34.3178.3-70.4-175.2179.3178.20112.4F247 Q248 H254F247-K250 PolarHBondContact O-N 2.95Å; Q248-K250 PolarHBondContact O-N 3.34Å; Q248-K250 VanDerWaalsContact O-N 3.15Å; K250-H254 PolarHBondContact O-CD2 3.04Å; K250-H254 VanDerWaalsContact O-CD2 3.26Å
251A53.1Low54.6Low23 Ų23117.6 Ų117.619%0.1965%0.646CS.*Hα-helixtrans-74.8-37.9-176.700000112.4Q248 K253 H254 M256 I260Q248-A251 PolarHBondContact O-N 3.48Å; A251-K253 PolarHBondContact O-N 3.35Å; A251-H254 PolarHBondContact O-N 3.05Å; A251-H254 VanDerWaalsContact O-N 3.13Å; A251-M256 HydrophobicContact CB-CE 4.01Å; A251-I260 HydrophobicContact CB-CD1 3.56Å; A251-I260 HydrophobicContact CB-CG1 4.4Å
252S55.5Low56Low51 Ų51114.9 Ų114.936%0.35762%0.623SS.*Hα-helixtrans-58.5-42.9175.4-179.60000112.5Q248 H254 G255 D257Q248-S252 PolarHBondContact O-N 3.43Å; S252-H254 PolarHBondContact O-N 2.8Å; S252-G255 PolarHBondContact O-N 2.85Å; S252-D257 WeakPolarHBondContact CA-OD1 3.26Å; S252-D257 WeakPolarHBondContact CB-OD1 3.31Å; S252-D257 PolarHBondContact OG-OD1 2.9Å
253K59.2Low57.4Low187 Ų187113.1 Ų113.181%0.81361%0.607SS**THydrogen-bonded Turntrans-61.1-12.3176.5-81.3-174.9174.8178.50115.7A251A251-K253 PolarHBondContact O-N 3.35Å
254H65.9Low58.7Low155 Ų155105.9 Ų105.972%0.71858%0.582SS**THydrogen-bonded Turntrans-102.812.8175.7-70.7-67.1000113.4K250 A251 S252 M256K250-H254 PolarHBondContact O-CD2 3.04Å; K250-H254 VanDerWaalsContact O-CD2 3.26Å; A251-H254 PolarHBondContact O-N 3.05Å; A251-H254 VanDerWaalsContact O-N 3.13Å; S252-H254 PolarHBondContact O-N 2.8Å; H254-M256 VanDerWaalsContact C-N 3.26Å; H254-M256 HydrophobicContact CB-CG 4.5Å; H254-M256 PolarHBondContact O-N 2.98Å
255G63.8Low60.4Low58 Ų58107.6 Ų107.660%0.59858%0.575SS**THydrogen-bonded Turntrans73.416178.200000114S252 D257S252-G255 PolarHBondContact O-N 2.85Å; G255-D257 PolarHBondContact O-N 3.25Å
256M63.1Low62.2Low75 Ų75104.6 Ų104.637%0.36957%0.565SS.*THydrogen-bonded Turntrans-8512.1178.6-59.8-161.9-68.100113.1A251 H254 A258 M259 I260A251-M256 HydrophobicContact CB-CE 4.01Å; H254-M256 VanDerWaalsContact C-N 3.26Å; H254-M256 HydrophobicContact CB-CG 4.5Å; H254-M256 PolarHBondContact O-N 2.98Å; M256-A258 PolarHBondContact O-N 2.8Å; M256-M259 HydrophobicContact CB-CE 4.29Å; M256-M259 HydrophobicContact CG-CE 3.9Å; M256-M259 WeakPolarHBondContact O-CA 3.39Å; M256-M259 WeakPolarHBondContact O-CB 3.42Å; M256-M259 PolarHBondContact O-N 3.07Å; M256-M259 HydrophobicContact SD-CE 4.25Å; M256-M259 HydrophobicContact SD-SD 4.49Å; M256-I260 HydrophobicContact CB-CD1 4.39Å; M256-I260 VanDerWaalsContact O-CG1 3.32Å; M256-I260 WeakPolarHBondContact O-CG1 3.48Å; M256-I260 PolarHBondContact O-N 3.39Å
257D67.6Low64Low61 Ų61106.7 Ų106.733%0.32656%0.559SS.*Hα-helixtrans-53.6-39.2-179.3-61.7-62.8000112.7S252 G255 M259 I260 Q261S252-D257 WeakPolarHBondContact CA-OD1 3.26Å; S252-D257 WeakPolarHBondContact CB-OD1 3.31Å; S252-D257 PolarHBondContact OG-OD1 2.9Å; G255-D257 PolarHBondContact O-N 3.25Å; D257-M259 VanDerWaalsContact C-N 3.33Å; D257-M259 PolarHBondContact O-N 2.95Å; D257-I260 PolarHBondContact O-N 3.09Å; D257-Q261 WeakPolarHBondContact O-CB 3.24Å; D257-Q261 VanDerWaalsContact O-CG 3.28Å; D257-Q261 WeakPolarHBondContact O-CG 3.33Å; D257-Q261 PolarHBondContact O-N 3.44Å
258A63Low65.8Low79 Ų79102.1 Ų102.165%0.65354%0.544SS*.Hα-helixtrans-63.7-34.7175.500000113.1M256 A262M256-A258 PolarHBondContact O-N 2.8Å; A258-A262 VanDerWaalsContact O-CB 3.27Å; A258-A262 WeakPolarHBondContact O-CB 3.3Å; A258-A262 PolarHBondContact O-N 3.31Å; A258-A262 VanDerWaalsContact O-N 3.12Å
259M60Low67.6Low138 Ų13896.1 Ų96.168%0.6852%0.516SS*.Hα-helixtrans-78-28.1175.9-65.6179.5-119.200112.5M256 D257M256-M259 HydrophobicContact CB-CE 4.29Å; M256-M259 HydrophobicContact CG-CE 3.9Å; M256-M259 WeakPolarHBondContact O-CA 3.39Å; M256-M259 WeakPolarHBondContact O-CB 3.42Å; M256-M259 PolarHBondContact O-N 3.07Å; M256-M259 HydrophobicContact SD-CE 4.25Å; M256-M259 HydrophobicContact SD-SD 4.49Å; D257-M259 VanDerWaalsContact C-N 3.33Å; D257-M259 PolarHBondContact O-N 2.95Å
260I64.4Low69.3Low80 Ų8091.9 Ų91.941%0.4149%0.493SS..Hα-helixtrans-77.8-31.4177.6-61161000111.1A251 M256 D257A251-I260 HydrophobicContact CB-CD1 3.56Å; A251-I260 HydrophobicContact CB-CG1 4.4Å; M256-I260 HydrophobicContact CB-CD1 4.39Å; M256-I260 VanDerWaalsContact O-CG1 3.32Å; M256-I260 WeakPolarHBondContact O-CG1 3.48Å; M256-I260 PolarHBondContact O-N 3.39Å; D257-I260 PolarHBondContact O-N 3.09Å
261Q69.4Low70.8Confident160 Ų16089 Ų8975%0.74848%0.482SS*.Hα-helixtrans-91.1-12.3178.4-67.2176.514.100113.6D257 D263D257-Q261 WeakPolarHBondContact O-CB 3.24Å; D257-Q261 VanDerWaalsContact O-CG 3.28Å; D257-Q261 WeakPolarHBondContact O-CG 3.33Å; D257-Q261 PolarHBondContact O-N 3.44Å; Q261-D263 PolarHBondContact O-N 2.91Å
262A72.1Confident72.5Confident35 Ų3592.2 Ų92.229%0.28949%0.492SS..SBendtrans-69122.5177.300000110.7A258 S264 F267A258-A262 VanDerWaalsContact O-CB 3.27Å; A258-A262 WeakPolarHBondContact O-CB 3.3Å; A258-A262 PolarHBondContact O-N 3.31Å; A258-A262 VanDerWaalsContact O-N 3.12Å; A262-S264 PolarHBondContact O-N 2.73Å; A262-F267 HydrophobicContact CB-CE2 3.78Å; A262-F267 HydrophobicContact CB-CZ 3.85Å
263D73.6Confident74.3Confident89 Ų8990.3 Ų90.348%0.47648%0.477SS..  trans-72.3110.9175.9173.513.8000109.9Q261 I265 N266 F267Q261-D263 PolarHBondContact O-N 2.91Å; D263-I265 PolarHBondContact O-N 2.75Å; D263-I265 VanDerWaalsContact O-N 3.09Å; D263-I265 PolarHBondContact OD1-N 2.66Å; D263-N266 WeakPolarHBondContact CB-ND2 3.44Å; D263-N266 VanDerWaalsContact CG-ND2 3.25Å; D263-N266 PolarHBondContact O-N 3.49Å; D263-N266 VanDerWaalsContact O-N 3.16Å; D263-N266 PolarHBondContact O-ND2 3.25Å; D263-N266 PolarHBondContact OD2-ND2 3.33Å; D263-F267 WeakPolarHBondContact O-CE2 3.31Å
264S70.1Confident75.7Confident50 Ų5082.5 Ų82.535%0.3545%0.446SS..G310 helixtrans-49.2-36.7-177.3-570000113.2A262 N266 F267 H269A262-S264 PolarHBondContact O-N 2.73Å; S264-N266 PolarHBondContact O-N 3.18Å; S264-F267 PolarHBondContact O-N 3.5Å; S264-H269 PolarHBondContact O-NE2 3.37Å
265I76.8Confident77Confident144 Ų14477.1 Ų77.174%0.73842%0.422SS*.G310 helixtrans-62.1-21.8-173.8-71.6173.1000113D263 F267D263-I265 PolarHBondContact O-N 2.75Å; D263-I265 VanDerWaalsContact O-N 3.09Å; D263-I265 PolarHBondContact OD1-N 2.66Å; I265-F267 VanDerWaalsContact C-N 3.33Å; I265-F267 PolarHBondContact O-N 2.94Å
266N80.4Confident78.3Confident121 Ų12177.4 Ų77.465%0.64741%0.412SS*.G310 helixtrans-88.26.7-176.6-57-68.6000114.3D263 S264D263-N266 WeakPolarHBondContact CB-ND2 3.44Å; D263-N266 VanDerWaalsContact CG-ND2 3.25Å; D263-N266 PolarHBondContact O-N 3.49Å; D263-N266 VanDerWaalsContact O-N 3.16Å; D263-N266 PolarHBondContact O-ND2 3.25Å; D263-N266 PolarHBondContact OD2-ND2 3.33Å; S264-N266 PolarHBondContact O-N 3.18Å
267F80.6Confident79.8Confident96 Ų9674 Ų7442%0.42140%0.395SS..SBendtrans-106.7147.6-178.6-66.7-79.4000113.2A262 D263 S264 I265 H269 F272A262-F267 HydrophobicContact CB-CE2 3.78Å; A262-F267 HydrophobicContact CB-CZ 3.85Å; D263-F267 WeakPolarHBondContact O-CE2 3.31Å; S264-F267 PolarHBondContact O-N 3.5Å; I265-F267 VanDerWaalsContact C-N 3.33Å; I265-F267 PolarHBondContact O-N 2.94Å; F267-H269 PolarHBondContact O-CD2 3.08Å; F267-H269 PolarHBondContact O-N 3.3Å; F267-F272 HydrophobicContact CB-CD2 4.25Å; F267-F272 HydrophobicContact CB-CE2 3.85Å; F267-F272 AromaticContact CD1-CE2 3.69Å; F267-F272 HydrophobicContact CD1-CE2 3.69Å; F267-F272 HydrophobicContact CD1-CZ 4.25Å; F267-F272 HydrophobicContact CG-CE2 4.02Å
268D84.9Confident81Confident103 Ų10376.6 Ų76.655%0.55140%0.401SS*.  trans-7489.9168.8-173.2-13.7000110.2D270 H271 F272D268-D270 VanDerWaalsContact C-N 3.31Å; D268-D270 PolarHBondContact OD1-N 3.31Å; D268-H271 HydrophobicContact CB-CB 4.17Å; D268-H271 PolarHBondContact O-N 3.32Å; D268-H271 PolarHBondContact OD1-N 3.29Å; D268-F272 WeakPolarHBondContact O-CD2 3.4Å; D268-F272 PolarHBondContact O-N 3.15Å; D268-F272 VanDerWaalsContact O-N 3.12Å
269H89Confident82.5Confident27 Ų2778.1 Ų78.113%0.12540%0.397CS..Hα-helixtrans-71.6-21.5177.1-74.7-68.5000113.8S264 F267 Y273 Y306 Y310 V312S264-H269 PolarHBondContact O-NE2 3.37Å; F267-H269 PolarHBondContact O-CD2 3.08Å; F267-H269 PolarHBondContact O-N 3.3Å; H269-Y273 WeakPolarHBondContact O-CB 3.49Å; H269-Y273 PolarHBondContact O-N 2.99Å; H269-Y306 HydrophobicContact CB-CE1 4.36Å; H269-Y306 AromaticContact ND1-CZ 3.64Å; H269-Y306 PolarHBondContact ND1-OH 2.93Å; H269-Y310 AromaticContact CD2-CD1 3.86Å; H269-Y310 AromaticContact CD2-CG 3.98Å; H269-Y310 AromaticContact CE1-CD1 3.34Å; H269-Y310 WeakPolarHBondContact CE1-CD1 3.46Å; H269-Y310 AromaticContact CE1-CD2 3.89Å; H269-Y310 AromaticContact CE1-CE1 3.61Å; H269-Y310 AromaticContact CE1-CG 3.49Å; H269-Y310 VanDerWaalsContact CE1-CG 3.49Å; H269-Y310 AromaticContact CE1-CZ 3.97Å; H269-Y310 AromaticContact CG-CG 3.87Å; H269-Y310 AromaticContact ND1-CD1 3.9Å; H269-Y310 AromaticContact ND1-CD2 3.85Å; H269-Y310 AromaticContact ND1-CG 3.57Å; H269-Y310 AromaticContact NE2-CD1 3.26Å; H269-Y310 VanDerWaalsContact NE2-CD1 3.26Å; H269-Y310 WeakPolarHBondContact NE2-CD1 3.29Å; H269-Y310 AromaticContact NE2-CE1 3.75Å; H269-Y310 AromaticContact NE2-CG 3.73Å; H269-V312 HydrophobicContact CB-CG2 4.24Å
270D86.1Confident84Confident37 Ų3772.8 Ų72.820%0.19837%0.373CS..Hα-helixtrans-68.6-47173.2-82.8-5.8000108.5D268 Y273 S274 V312 R313 F316D268-D270 VanDerWaalsContact C-N 3.31Å; D268-D270 PolarHBondContact OD1-N 3.31Å; D270-Y273 PolarHBondContact O-N 3.13Å; D270-S274 PolarHBondContact O-N 3.28Å; D270-V312 WeakPolarHBondContact OD1-CG1 3.41Å; D270-R313 IonicContact OD2-NE 3.95Å; D270-R313 IonicContact OD2-NH2 2.99Å; D270-F316 HydrophobicContact CB-CD1 4.15Å; D270-F316 HydrophobicContact CB-CE1 3.8Å; D270-F316 HydrophobicContact CB-CE2 4.35Å; D270-F316 HydrophobicContact CB-CZ 3.9Å; D270-F316 WeakPolarHBondContact O-CE1 3.29Å
271H88Confident85.3Confident101 Ų10169 Ų6947%0.46835%0.353SS..Hα-helixtrans-63-48.7175.5-174.265.6000113D268 Y273 S274 D275D268-H271 HydrophobicContact CB-CB 4.17Å; D268-H271 PolarHBondContact O-N 3.32Å; D268-H271 PolarHBondContact OD1-N 3.29Å; H271-Y273 VanDerWaalsContact C-N 3.31Å; H271-Y273 PolarHBondContact O-N 3.02Å; H271-S274 VanDerWaalsContact O-CB 3.31Å; H271-S274 WeakPolarHBondContact O-CB 3.36Å; H271-S274 PolarHBondContact O-N 3.44Å; H271-S274 VanDerWaalsContact O-N 3.16Å; H271-D275 IonicContact NE2-OD2 2.88Å; H271-D275 PolarHBondContact O-N 3.32Å; H271-D275 VanDerWaalsContact O-N 3.11Å
272F89.5Confident86.3Confident89 Ų8963.5 Ų63.539%0.3933%0.329SS..Hα-helixtrans-64.8-33.7178.3-71.2-36.5000113.2F267 D268 D275 V276F267-F272 HydrophobicContact CB-CD2 4.25Å; F267-F272 HydrophobicContact CB-CE2 3.85Å; F267-F272 AromaticContact CD1-CE2 3.69Å; F267-F272 HydrophobicContact CD1-CE2 3.69Å; F267-F272 HydrophobicContact CD1-CZ 4.25Å; F267-F272 HydrophobicContact CG-CE2 4.02Å; D268-F272 WeakPolarHBondContact O-CD2 3.4Å; D268-F272 PolarHBondContact O-N 3.15Å; D268-F272 VanDerWaalsContact O-N 3.12Å; F272-D275 PolarHBondContact O-N 3.11Å; F272-V276 VanDerWaalsContact O-CG2 3.32Å; F272-V276 WeakPolarHBondContact O-CG2 3.33Å; F272-V276 PolarHBondContact O-N 3.02Å
273Y92Very high87.1Confident12 Ų1267.5 Ų67.55%0.04734%0.34CS..Hα-helixtrans-64.6-42.7172.8180-87.4000111.7H269 D270 H271 D275 V276 Q277 L303 Y306 S307 V312 R317H269-Y273 WeakPolarHBondContact O-CB 3.49Å; H269-Y273 PolarHBondContact O-N 2.99Å; D270-Y273 PolarHBondContact O-N 3.13Å; H271-Y273 VanDerWaalsContact C-N 3.31Å; H271-Y273 PolarHBondContact O-N 3.02Å; Y273-D275 VanDerWaalsContact C-N 3.32Å; Y273-D275 PolarHBondContact O-N 2.87Å; Y273-V276 PolarHBondContact O-N 3.1Å; Y273-Q277 HydrophobicContact CD1-CB 4.43Å; Y273-Q277 HydrophobicContact CE1-CB 4.08Å; Y273-Q277 HydrophobicContact CE1-CG 4.4Å; Y273-Q277 VanDerWaalsContact O-CB 3.25Å; Y273-Q277 WeakPolarHBondContact O-CB 3.36Å; Y273-Q277 PolarHBondContact O-N 3.05Å; Y273-Q277 PolarHBondContact OH-NE2 3.37Å; Y273-L303 HydrophobicContact CD2-CD2 4.36Å; Y273-L303 HydrophobicContact CE2-CB 3.97Å; Y273-L303 HydrophobicContact CE2-CD2 3.73Å; Y273-L303 HydrophobicContact CE2-CG 4.44Å; Y273-Y306 AromaticContact CD2-CD1 3.73Å; Y273-Y306 HydrophobicContact CD2-CD1 3.73Å; Y273-Y306 HydrophobicContact CD2-CE1 4.25Å; Y273-Y306 HydrophobicContact CD2-CG 4.45Å; Y273-S307 WeakPolarHBondContact CE2-OG 3.31Å; Y273-V312 HydrophobicContact CD1-CG1 3.92Å; Y273-V312 HydrophobicContact CD2-CG1 4.28Å; Y273-V312 HydrophobicContact CD2-CG2 4.44Å; Y273-V312 HydrophobicContact CG-CB 4.49Å; Y273-V312 HydrophobicContact CG-CG1 3.75Å; Y273-V312 HydrophobicContact CG-CG2 4.35Å; Y273-R317 HydrophobicContact CD1-CG 3.95Å; Y273-R317 HydrophobicContact CE1-CB 3.75Å; Y273-R317 HydrophobicContact CE1-CG 3.46Å; Y273-R317 VanDerWaalsContact CE1-CG 3.46Å
274S90.3Very high87.8Confident23 Ų2365.1 Ų65.116%0.16132%0.324CS..Hα-helixtrans-54.8-47.5174.9175.30000111.4D270 H271 Q277 R278 T320D270-S274 PolarHBondContact O-N 3.28Å; H271-S274 VanDerWaalsContact O-CB 3.31Å; H271-S274 WeakPolarHBondContact O-CB 3.36Å; H271-S274 PolarHBondContact O-N 3.44Å; H271-S274 VanDerWaalsContact O-N 3.16Å; S274-Q277 PolarHBondContact O-N 2.93Å; S274-R278 VanDerWaalsContact O-CB 3.3Å; S274-R278 WeakPolarHBondContact O-CB 3.36Å; S274-R278 PolarHBondContact O-N 3.48Å; S274-T320 VanDerWaalsContact OG-CG2 3.27Å; S274-T320 WeakPolarHBondContact OG-CG2 3.42Å
275D91.4Very high88.5Confident42 Ų4264.5 Ų64.523%0.22532%0.317CS..Hα-helixtrans-64.7-44.7178-84.2-18.3000113.3H271 F272 Y273 Q277 R278 L279H271-D275 IonicContact NE2-OD2 2.88Å; H271-D275 PolarHBondContact O-N 3.32Å; H271-D275 VanDerWaalsContact O-N 3.11Å; F272-D275 PolarHBondContact O-N 3.11Å; Y273-D275 VanDerWaalsContact C-N 3.32Å; Y273-D275 PolarHBondContact O-N 2.87Å; D275-Q277 PolarHBondContact O-N 3.38Å; D275-R278 PolarHBondContact O-N 3.01Å; D275-R278 IonicContact OD1-CZ 3.85Å; D275-R278 IonicContact OD1-NE 3.66Å; D275-R278 IonicContact OD1-NH2 2.74Å; D275-R278 PolarHBondContact OD1-NH2 3.22Å; D275-L279 WeakPolarHBondContact O-CB 3.27Å; D275-L279 VanDerWaalsContact O-CG 3.29Å; D275-L279 WeakPolarHBondContact O-CG 3.48Å; D275-L279 PolarHBondContact O-N 3.26Å
276V92.6Very high88.9Confident64 Ų6464.1 Ų64.139%0.38832%0.316SS..Hα-helixtrans-64.9-40.2177.7173.20000111.1F272 Y273 T280 L303F272-V276 VanDerWaalsContact O-CG2 3.32Å; F272-V276 WeakPolarHBondContact O-CG2 3.33Å; F272-V276 PolarHBondContact O-N 3.02Å; Y273-V276 PolarHBondContact O-N 3.1Å; V276-T280 WeakPolarHBondContact O-CB 3.36Å; V276-T280 PolarHBondContact O-N 2.84Å; V276-T280 PolarHBondContact O-OG1 3.3Å; V276-L303 HydrophobicContact CG1-CD2 3.99Å
277Q93.7Very high89.1Confident3 Ų361 Ų611%0.01430%0.298CS..Hα-helixtrans-63-47.8176-177.4179.965.700111.1Y273 S274 D275 T280 L281 F295 R317 L321Y273-Q277 HydrophobicContact CD1-CB 4.43Å; Y273-Q277 HydrophobicContact CE1-CB 4.08Å; Y273-Q277 HydrophobicContact CE1-CG 4.4Å; Y273-Q277 VanDerWaalsContact O-CB 3.25Å; Y273-Q277 WeakPolarHBondContact O-CB 3.36Å; Y273-Q277 PolarHBondContact O-N 3.05Å; Y273-Q277 PolarHBondContact OH-NE2 3.37Å; S274-Q277 PolarHBondContact O-N 2.93Å; D275-Q277 PolarHBondContact O-N 3.38Å; Q277-T280 PolarHBondContact O-N 3.43Å; Q277-L281 PolarHBondContact O-N 2.95Å; Q277-F295 HydrophobicContact CG-CE2 4.42Å; Q277-F295 HydrophobicContact CG-CZ 3.95Å; Q277-R317 PolarHBondContact NE2-O 3.47Å; Q277-R317 PolarHBondContact OE1-O 3.02Å; Q277-L321 HydrophobicContact CG-CD1 4.35Å
278R93.6Very high88.6Confident116 Ų11663.1 Ų63.144%0.43832%0.321SS..Hα-helixtrans-58.8-53.3176.8178.617260154.5-2.2112S274 D275 T280 L281 D282 N324S274-R278 VanDerWaalsContact O-CB 3.3Å; S274-R278 WeakPolarHBondContact O-CB 3.36Å; S274-R278 PolarHBondContact O-N 3.48Å; D275-R278 PolarHBondContact O-N 3.01Å; D275-R278 IonicContact OD1-CZ 3.85Å; D275-R278 IonicContact OD1-NE 3.66Å; D275-R278 IonicContact OD1-NH2 2.74Å; D275-R278 PolarHBondContact OD1-NH2 3.22Å; R278-T280 VanDerWaalsContact C-N 3.26Å; R278-T280 PolarHBondContact O-N 2.87Å; R278-L281 WeakPolarHBondContact O-CB 3.18Å; R278-L281 PolarHBondContact O-N 2.97Å; R278-D282 PolarHBondContact O-N 3.46Å; R278-N324 WeakPolarHBondContact CB-OD1 3.46Å
279L93.3Very high88.1Confident111 Ų11164.2 Ų64.258%0.58133%0.326SS*.Hα-helixtrans-62.6-33.2178.8-69.5171.1000112.4D275 F283D275-L279 WeakPolarHBondContact O-CB 3.27Å; D275-L279 VanDerWaalsContact O-CG 3.29Å; D275-L279 WeakPolarHBondContact O-CG 3.48Å; D275-L279 PolarHBondContact O-N 3.26Å; L279-F283 WeakPolarHBondContact O-CB 3.44Å; L279-F283 PolarHBondContact O-N 3.47Å
280T92.2Very high87.3Confident26 Ų2667.9 Ų67.916%0.1635%0.353CS..Hα-helixtrans-68.4-38.7174-59.90000111.4V276 Q277 R278 R284 F295 Q299V276-T280 WeakPolarHBondContact O-CB 3.36Å; V276-T280 PolarHBondContact O-N 2.84Å; V276-T280 PolarHBondContact O-OG1 3.3Å; Q277-T280 PolarHBondContact O-N 3.43Å; R278-T280 VanDerWaalsContact C-N 3.26Å; R278-T280 PolarHBondContact O-N 2.87Å; T280-R284 WeakPolarHBondContact O-CB 3.32Å; T280-R284 VanDerWaalsContact O-CG 3.22Å; T280-R284 WeakPolarHBondContact O-CG 3.46Å; T280-R284 PolarHBondContact O-N 2.83Å; T280-F295 HydrophobicContact CG2-CD1 3.78Å; T280-F295 HydrophobicContact CG2-CE1 3.91Å; T280-Q299 HydrophobicContact CG2-CB 3.94Å; T280-Q299 HydrophobicContact CG2-CG 3.73Å
281L90.8Very high87Confident1 Ų166.8 Ų66.81%0.00535%0.348CS..Hα-helixtrans-68-45.4175.4-176.166000111.3Q277 R278 F283 R284 I285 F295 N324 L325 K328Q277-L281 PolarHBondContact O-N 2.95Å; R278-L281 WeakPolarHBondContact O-CB 3.18Å; R278-L281 PolarHBondContact O-N 2.97Å; L281-F283 VanDerWaalsContact C-N 3.34Å; L281-F283 PolarHBondContact O-N 2.92Å; L281-R284 PolarHBondContact O-N 3.15Å; L281-R284 VanDerWaalsContact O-N 3.07Å; L281-I285 HydrophobicContact CD1-CD1 3.89Å; L281-I285 HydrophobicContact CD1-CG1 4.24Å; L281-I285 HydrophobicContact CD2-CD1 4.47Å; L281-I285 HydrophobicContact CG-CD1 3.84Å; L281-I285 HydrophobicContact CG-CG1 4.49Å; L281-I285 WeakPolarHBondContact O-CG1 3.13Å; L281-I285 PolarHBondContact O-N 3.13Å; L281-F295 HydrophobicContact CB-CE1 3.98Å; L281-F295 HydrophobicContact CB-CZ 4.33Å; L281-F295 HydrophobicContact CD1-CE1 4.24Å; L281-N324 HydrophobicContact CD2-CB 3.75Å; L281-L325 HydrophobicContact CD1-CD2 3.95Å; L281-L325 HydrophobicContact CD2-CD2 4.06Å; L281-K328 HydrophobicContact CD2-CG 4.42Å
282D90.4Very high86.7Confident43 Ų4364.6 Ų64.623%0.2334%0.34CS..Hα-helixtrans-56.7-47.1174.7-75.5-38.2000111.2R278 R284 N286 K328R278-D282 PolarHBondContact O-N 3.46Å; D282-R284 VanDerWaalsContact C-N 3.33Å; D282-R284 PolarHBondContact O-N 3.48Å; D282-N286 PolarHBondContact O-N 3.3Å; D282-N286 PolarHBondContact O-ND2 2.78Å; D282-K328 WeakPolarHBondContact OD1-CE 3.45Å; D282-K328 IonicContact OD1-NZ 3.75Å; D282-K328 PolarHBondContact OD1-NZ 2.95Å
283F89.5Confident86.5Confident120 Ų12060.4 Ų60.453%0.52632%0.321SS..Hα-helixtrans-58.5-46173.6178.5-93.5000111.4L279 L281 I285 N286 E287L279-F283 WeakPolarHBondContact O-CB 3.44Å; L279-F283 PolarHBondContact O-N 3.47Å; L281-F283 VanDerWaalsContact C-N 3.34Å; L281-F283 PolarHBondContact O-N 2.92Å; F283-I285 PolarHBondContact O-N 3.18Å; F283-N286 PolarHBondContact O-N 3.05Å; F283-E287 HydrophobicContact CD1-CG 4.18Å; F283-E287 HydrophobicContact CE1-CG 3.74Å; F283-E287 HydrophobicContact CZ-CG 4.16Å; F283-E287 PolarHBondContact O-N 3.39Å
284R87.9Confident86.4Confident39 Ų3965 Ų6515%0.14734%0.338CS..Hα-helixtrans-69-32.3-174.8-79.5-69.8-85179.40.1115T280 L281 D282 N286 E287 S291 W294 F295T280-R284 WeakPolarHBondContact O-CB 3.32Å; T280-R284 VanDerWaalsContact O-CG 3.22Å; T280-R284 WeakPolarHBondContact O-CG 3.46Å; T280-R284 PolarHBondContact O-N 2.83Å; L281-R284 PolarHBondContact O-N 3.15Å; L281-R284 VanDerWaalsContact O-N 3.07Å; D282-R284 VanDerWaalsContact C-N 3.33Å; D282-R284 PolarHBondContact O-N 3.48Å; R284-N286 VanDerWaalsContact C-N 3.34Å; R284-E287 WeakPolarHBondContact CD-OE2 3.28Å; R284-E287 IonicContact CZ-OE2 3.85Å; R284-E287 IonicContact NE-OE2 2.67Å; R284-E287 IonicContact NH1-OE2 3.78Å; R284-E287 PolarHBondContact NH1-OE2 3.04Å; R284-S291 WeakPolarHBondContact O-CB 3.47Å; R284-S291 PolarHBondContact O-OG 3.22Å; R284-W294 PolarHBondContact NE-O 3.19Å; R284-W294 PolarHBondContact NH2-O 3.46Å; R284-F295 HydrophobicContact CG-CD1 4.49Å
285I85.4Confident86.4Confident37 Ų3765.6 Ų65.619%0.1934%0.338CS..Hα-helixtrans-76.7-28.3176.8-66.5170.8000110.8L281 F283 K328 L333 I335L281-I285 HydrophobicContact CD1-CD1 3.89Å; L281-I285 HydrophobicContact CD1-CG1 4.24Å; L281-I285 HydrophobicContact CD2-CD1 4.47Å; L281-I285 HydrophobicContact CG-CD1 3.84Å; L281-I285 HydrophobicContact CG-CG1 4.49Å; L281-I285 WeakPolarHBondContact O-CG1 3.13Å; L281-I285 PolarHBondContact O-N 3.13Å; F283-I285 PolarHBondContact O-N 3.18Å; I285-K328 HydrophobicContact CD1-CB 3.97Å; I285-K328 HydrophobicContact CD1-CD 4.08Å; I285-K328 HydrophobicContact CD1-CG 3.61Å; I285-L333 HydrophobicContact CG2-CD1 4.05Å; I285-L333 HydrophobicContact CG2-CD2 4.03Å; I285-L333 HydrophobicContact CG2-CG 4.45Å; I285-I335 HydrophobicContact CD1-CD1 4.05Å
286N84.6Confident86.3Confident136 Ų13665 Ų6573%0.72734%0.337SS*.SBendtrans-85.2-0.2175.6-70.9-64.8000114.4D282 F283 R284D282-N286 PolarHBondContact O-N 3.3Å; D282-N286 PolarHBondContact O-ND2 2.78Å; F283-N286 PolarHBondContact O-N 3.05Å; R284-N286 VanDerWaalsContact C-N 3.34Å
287E84.3Confident86Confident56 Ų5667.6 Ų67.626%0.26236%0.356SS..SBendtrans-70.7146.9173.7-75-163.3111.700111.4F283 R284 I289F283-E287 HydrophobicContact CD1-CG 4.18Å; F283-E287 HydrophobicContact CE1-CG 3.74Å; F283-E287 HydrophobicContact CZ-CG 4.16Å; F283-E287 PolarHBondContact O-N 3.39Å; R284-E287 WeakPolarHBondContact CD-OE2 3.28Å; R284-E287 IonicContact CZ-OE2 3.85Å; R284-E287 IonicContact NE-OE2 2.67Å; R284-E287 IonicContact NH1-OE2 3.78Å; R284-E287 PolarHBondContact NH1-OE2 3.04Å; E287-I289 PolarHBondContact O-N 3.12Å
288P72.1Confident85.8Confident140 Ų14069.6 Ų69.691%0.90938%0.377SS*.SBendtrans-62.7-10.1176.5-2233.1000114.9
289I73.1Confident85.6Confident126 Ų12665.9 Ų65.965%0.64637%0.365SS*.SBendtrans-100.1113.4176.3-57.7172.7000106.6E287 S291E287-I289 PolarHBondContact O-N 3.12Å; I289-S291 PolarHBondContact O-N 3.28Å
290C72.5Confident85.4Confident104 Ų10462 Ų6270%0.70335%0.349SS*.  trans-57.4102.9-179.8-171.20000110.6L292C290-L292 VanDerWaalsContact SG-CD2 3.52Å
291S79.8Confident85.3Confident13 Ų1366.2 Ų66.29%0.09137%0.365CS..  trans-85.7-17.9-174.360.90000113.4R284 I289 G293 W294R284-S291 WeakPolarHBondContact O-CB 3.47Å; R284-S291 PolarHBondContact O-OG 3.22Å; I289-S291 PolarHBondContact O-N 3.28Å; S291-G293 PolarHBondContact O-N 2.64Å; S291-G293 VanDerWaalsContact O-N 3.08Å; S291-W294 WeakPolarHBondContact O-CB 3.48Å; S291-W294 PolarHBondContact O-N 3.06Å
292L82.5Confident85.4Confident56 Ų5670.5 Ų70.529%0.29339%0.391SS..THydrogen-bonded Turntrans51.128.2-175.1-56.7173000113.5C290 L334 D336C290-L292 VanDerWaalsContact SG-CD2 3.52Å; L292-L334 HydrophobicContact CD2-CB 3.98Å; L292-L334 WeakPolarHBondContact CD2-O 3.34Å; L292-D336 HydrophobicContact CB-CB 3.93Å; L292-D336 PolarHBondContact O-N 3.32Å
293G84.8Confident85.4Confident0 Ų068.8 Ų68.80%038%0.382CS..THydrogen-bonded Turntrans89.2-8.7-175.500000115.5S291 F295 L339S291-G293 PolarHBondContact O-N 2.64Å; S291-G293 VanDerWaalsContact O-N 3.08Å; G293-F295 PolarHBondContact O-N 3.37Å; G293-L339 VanDerWaalsContact C-CD2 3.41Å; G293-L339 VanDerWaalsContact O-CD2 3.31Å; G293-L339 WeakPolarHBondContact O-CD2 3.39Å
294W89Confident85.4Confident109 Ų10968.8 Ų68.841%0.41338%0.384SS..PPolyproline II helixtrans-72122.4-179.4-70.198.7000112.8R284 S291 D336 A338 L339R284-W294 PolarHBondContact NE-O 3.19Å; R284-W294 PolarHBondContact NH2-O 3.46Å; S291-W294 WeakPolarHBondContact O-CB 3.48Å; S291-W294 PolarHBondContact O-N 3.06Å; W294-D336 PolarHBondContact NE1-OD2 3Å; W294-A338 HydrophobicContact CZ2-CB 4.38Å; W294-L339 HydrophobicContact CD2-CB 4.41Å; W294-L339 HydrophobicContact CD2-CD1 4.33Å; W294-L339 HydrophobicContact CD2-CD2 4.46Å; W294-L339 HydrophobicContact CE3-CD1 3.94Å; W294-L339 HydrophobicContact CH2-CB 4.27Å; W294-L339 HydrophobicContact CH2-CD1 4.2Å; W294-L339 HydrophobicContact CZ2-CB 3.91Å; W294-L339 HydrophobicContact CZ3-CD1 3.88Å
295F91.1Very high85.5Confident35 Ų3570 Ų7015%0.15439%0.391CS..PPolyproline II helixtrans-61.5145.4165.8-59-51.9000111.1Q277 T280 L281 R284 G293 Q299 A300 L303 L321Q277-F295 HydrophobicContact CG-CE2 4.42Å; Q277-F295 HydrophobicContact CG-CZ 3.95Å; T280-F295 HydrophobicContact CG2-CD1 3.78Å; T280-F295 HydrophobicContact CG2-CE1 3.91Å; L281-F295 HydrophobicContact CB-CE1 3.98Å; L281-F295 HydrophobicContact CB-CZ 4.33Å; L281-F295 HydrophobicContact CD1-CE1 4.24Å; R284-F295 HydrophobicContact CG-CD1 4.49Å; G293-F295 PolarHBondContact O-N 3.37Å; F295-Q299 HydrophobicContact CB-CB 4.15Å; F295-A300 HydrophobicContact CB-CB 4.48Å; F295-L303 HydrophobicContact CD2-CD1 4.13Å; F295-L303 HydrophobicContact CE2-CD1 4.11Å; F295-L303 HydrophobicContact CG-CD1 4.36Å; F295-L303 HydrophobicContact CZ-CD1 4.33Å; F295-L321 HydrophobicContact CE2-CD1 3.69Å; F295-L321 HydrophobicContact CE2-CD2 4.11Å; F295-L321 HydrophobicContact CZ-CD1 3.67Å
296S88.9Confident85.7Confident30 Ų3070.8 Ų70.821%0.2139%0.392CS..PPolyproline II helixtrans-67.9156.7170.6650000110.6G298 Q299 A300S296-G298 PolarHBondContact O-N 3.05Å; S296-G298 VanDerWaalsContact O-N 3.09Å; S296-Q299 PolarHBondContact O-N 3.38Å; S296-Q299 VanDerWaalsContact OG-CD 3.27Å; S296-Q299 WeakPolarHBondContact OG-CG 3.3Å; S296-Q299 PolarHBondContact OG-N 3.4Å; S296-Q299 PolarHBondContact OG-OE1 3.23Å; S296-A300 PolarHBondContact O-N 3.48Å
297P87.4Confident86Confident119 Ų11964.6 Ų64.677%0.77336%0.359SS*.Hα-helixtrans-54.1-31.9175.4-28.135.7000113.6F301P297-F301 WeakPolarHBondContact O-CB 3.49Å; P297-F301 PolarHBondContact O-N 3.46Å
298G88.4Confident86.1Confident45 Ų4565 Ų6546%0.46437%0.373SS..Hα-helixtrans-71.3-4117500000113.5S296 V302S296-G298 PolarHBondContact O-N 3.05Å; S296-G298 VanDerWaalsContact O-N 3.09Å; G298-V302 VanDerWaalsContact O-CG2 3.29Å; G298-V302 WeakPolarHBondContact O-CG2 3.28Å; G298-V302 PolarHBondContact O-N 3.25Å
299Q89.9Confident86.9Confident37 Ų3766.6 Ų66.617%0.17336%0.36CS..Hα-helixtrans-69.3-43.5175.5-75.5156.7-34.500111.8T280 F295 S296 F301 V302 L303T280-Q299 HydrophobicContact CG2-CB 3.94Å; T280-Q299 HydrophobicContact CG2-CG 3.73Å; F295-Q299 HydrophobicContact CB-CB 4.15Å; S296-Q299 PolarHBondContact O-N 3.38Å; S296-Q299 VanDerWaalsContact OG-CD 3.27Å; S296-Q299 WeakPolarHBondContact OG-CG 3.3Å; S296-Q299 PolarHBondContact OG-N 3.4Å; S296-Q299 PolarHBondContact OG-OE1 3.23Å; Q299-F301 VanDerWaalsContact C-N 3.34Å; Q299-F301 PolarHBondContact O-N 3.21Å; Q299-V302 PolarHBondContact O-N 3.18Å; Q299-L303 WeakPolarHBondContact O-CB 3.2Å; Q299-L303 VanDerWaalsContact O-CG 3.32Å; Q299-L303 WeakPolarHBondContact O-CG 3.49Å; Q299-L303 PolarHBondContact O-N 3.02Å
300A88.8Confident87.6Confident31 Ų3165 Ų6526%0.25635%0.347SS..Hα-helixtrans-56.8-49.417400000110.6F295 S296 V302 L303 E304F295-A300 HydrophobicContact CB-CB 4.48Å; S296-A300 PolarHBondContact O-N 3.48Å; A300-V302 PolarHBondContact O-N 3.03Å; A300-L303 PolarHBondContact O-N 3.3Å; A300-E304 WeakPolarHBondContact O-CB 3.26Å; A300-E304 WeakPolarHBondContact O-CG 3.34Å; A300-E304 PolarHBondContact O-N 2.92Å
301F91Very high88.2Confident114 Ų11467.1 Ų67.150%0.535%0.348SS..Hα-helixtrans-58.4-42.9175.6178.7-99.9000113.3P297 Q299 E304 E305P297-F301 WeakPolarHBondContact O-CB 3.49Å; P297-F301 PolarHBondContact O-N 3.46Å; Q299-F301 VanDerWaalsContact C-N 3.34Å; Q299-F301 PolarHBondContact O-N 3.21Å; F301-E304 PolarHBondContact O-N 3.14Å; F301-E305 HydrophobicContact CD1-CG 4.33Å; F301-E305 HydrophobicContact CD2-CG 4.45Å; F301-E305 HydrophobicContact CE1-CG 3.82Å; F301-E305 HydrophobicContact CE2-CG 3.95Å; F301-E305 HydrophobicContact CZ-CG 3.6Å; F301-E305 WeakPolarHBondContact O-CB 3.36Å; F301-E305 WeakPolarHBondContact O-CG 3.4Å; F301-E305 PolarHBondContact O-N 3.34Å
302V91.8Very high88.6Confident91 Ų9167 Ų6755%0.55235%0.347SS*.Hα-helixtrans-65.8-41.5177.7167.90000111.9G298 Q299 A300 Y306G298-V302 VanDerWaalsContact O-CG2 3.29Å; G298-V302 WeakPolarHBondContact O-CG2 3.28Å; G298-V302 PolarHBondContact O-N 3.25Å; Q299-V302 PolarHBondContact O-N 3.18Å; A300-V302 PolarHBondContact O-N 3.03Å; V302-Y306 WeakPolarHBondContact O-CB 3.3Å; V302-Y306 PolarHBondContact O-N 3.46Å
303L91.1Very high88.8Confident7 Ų768.3 Ų68.34%0.03735%0.348CS..Hα-helixtrans-66.7-39.5175.9-70170.7000111.5Y273 V276 F295 Q299 A300 S307Y273-L303 HydrophobicContact CD2-CD2 4.36Å; Y273-L303 HydrophobicContact CE2-CB 3.97Å; Y273-L303 HydrophobicContact CE2-CD2 3.73Å; Y273-L303 HydrophobicContact CE2-CG 4.44Å; V276-L303 HydrophobicContact CG1-CD2 3.99Å; F295-L303 HydrophobicContact CD2-CD1 4.13Å; F295-L303 HydrophobicContact CE2-CD1 4.11Å; F295-L303 HydrophobicContact CG-CD1 4.36Å; F295-L303 HydrophobicContact CZ-CD1 4.33Å; Q299-L303 WeakPolarHBondContact O-CB 3.2Å; Q299-L303 VanDerWaalsContact O-CG 3.32Å; Q299-L303 WeakPolarHBondContact O-CG 3.49Å; Q299-L303 PolarHBondContact O-N 3.02Å; A300-L303 PolarHBondContact O-N 3.3Å; L303-S307 WeakPolarHBondContact O-CB 3.49Å; L303-S307 PolarHBondContact O-N 2.98Å; L303-S307 PolarHBondContact O-OG 3.42Å
304E89.4Confident88.9Confident120 Ų12069.4 Ų69.456%0.56136%0.359SS*.Hα-helixtrans-65.1-47.2174.8-76176.1177.400112A300 F301 Y306 S307 A308A300-E304 WeakPolarHBondContact O-CB 3.26Å; A300-E304 WeakPolarHBondContact O-CG 3.34Å; A300-E304 PolarHBondContact O-N 2.92Å; F301-E304 PolarHBondContact O-N 3.14Å; E304-Y306 PolarHBondContact O-N 3.44Å; E304-S307 WeakPolarHBondContact O-CB 3.37Å; E304-S307 PolarHBondContact O-N 3.31Å; E304-A308 WeakPolarHBondContact O-CB 3.36Å; E304-A308 PolarHBondContact O-N 2.9Å
305E90.1Very high88.7Confident65 Ų6564.4 Ų64.430%0.30434%0.341SS..Hα-helixtrans-60.7-42.3175.2-84.4-73.9140.400112.3F301 S307 A308 R309F301-E305 HydrophobicContact CD1-CG 4.33Å; F301-E305 HydrophobicContact CD2-CG 4.45Å; F301-E305 HydrophobicContact CE1-CG 3.82Å; F301-E305 HydrophobicContact CE2-CG 3.95Å; F301-E305 HydrophobicContact CZ-CG 3.6Å; F301-E305 WeakPolarHBondContact O-CB 3.36Å; F301-E305 WeakPolarHBondContact O-CG 3.4Å; F301-E305 PolarHBondContact O-N 3.34Å; E305-S307 VanDerWaalsContact C-N 3.34Å; E305-A308 PolarHBondContact O-N 3.02Å; E305-R309 WeakPolarHBondContact O-CB 3.46Å; E305-R309 WeakPolarHBondContact O-CD 3.35Å; E305-R309 WeakPolarHBondContact O-CG 3.14Å; E305-R309 PolarHBondContact O-N 3.36Å; E305-R309 IonicContact OE2-CZ 3.48Å; E305-R309 IonicContact OE2-NE 3.68Å; E305-R309 PolarHBondContact OE2-NE 3.03Å; E305-R309 IonicContact OE2-NH2 2.75Å; E305-R309 PolarHBondContact OE2-NH2 3.31Å
306Y90.1Very high88.6Confident53 Ų5363.8 Ų63.821%0.20834%0.338CS..Hα-helixtrans-59.4-47.7173.1-173.1-75.5000110.6H269 Y273 V302 E304 A308 R309 Y310 V312H269-Y306 HydrophobicContact CB-CE1 4.36Å; H269-Y306 AromaticContact ND1-CZ 3.64Å; H269-Y306 PolarHBondContact ND1-OH 2.93Å; Y273-Y306 AromaticContact CD2-CD1 3.73Å; Y273-Y306 HydrophobicContact CD2-CD1 3.73Å; Y273-Y306 HydrophobicContact CD2-CE1 4.25Å; Y273-Y306 HydrophobicContact CD2-CG 4.45Å; V302-Y306 WeakPolarHBondContact O-CB 3.3Å; V302-Y306 PolarHBondContact O-N 3.46Å; E304-Y306 PolarHBondContact O-N 3.44Å; Y306-A308 VanDerWaalsContact C-N 3.34Å; Y306-A308 PolarHBondContact O-N 3.1Å; Y306-R309 PolarHBondContact O-N 2.86Å; Y306-Y310 AromaticContact CD1-CD2 3.77Å; Y306-Y310 HydrophobicContact CD1-CD2 3.77Å; Y306-Y310 AromaticContact CD2-CD2 3.83Å; Y306-Y310 HydrophobicContact CD2-CD2 3.83Å; Y306-Y310 AromaticContact CD2-CE2 3.83Å; Y306-Y310 HydrophobicContact CD2-CE2 3.83Å; Y306-Y310 AromaticContact CE1-CD2 3.7Å; Y306-Y310 HydrophobicContact CE1-CD2 3.7Å; Y306-Y310 HydrophobicContact CE1-CG 4.41Å; Y306-Y310 AromaticContact CE2-CD2 3.78Å; Y306-Y310 HydrophobicContact CE2-CD2 3.78Å; Y306-Y310 AromaticContact CE2-CE2 3.76Å; Y306-Y310 HydrophobicContact CE2-CE2 3.76Å; Y306-Y310 AromaticContact CG-CD2 3.83Å; Y306-Y310 HydrophobicContact CG-CD2 3.83Å; Y306-Y310 HydrophobicContact CG-CE2 4.25Å; Y306-Y310 AromaticContact CZ-CD2 3.71Å; Y306-Y310 WeakPolarHBondContact O-CD2 3.38Å; Y306-Y310 PolarHBondContact O-N 2.94Å; Y306-V312 HydrophobicContact CD1-CG2 4.03Å; Y306-V312 HydrophobicContact CE1-CG2 3.92Å
307S89.6Confident88.8Confident6 Ų664.8 Ų64.84%0.04234%0.337CS..Hα-helixtrans-60.9-42.3179.4-53.20000112.3Y273 L303 E304 E305 R309 M311 V312 R317Y273-S307 WeakPolarHBondContact CE2-OG 3.31Å; L303-S307 WeakPolarHBondContact O-CB 3.49Å; L303-S307 PolarHBondContact O-N 2.98Å; L303-S307 PolarHBondContact O-OG 3.42Å; E304-S307 WeakPolarHBondContact O-CB 3.37Å; E304-S307 PolarHBondContact O-N 3.31Å; E305-S307 VanDerWaalsContact C-N 3.34Å; S307-R309 VanDerWaalsContact C-N 3.35Å; S307-M311 VanDerWaalsContact O-CA 3.31Å; S307-M311 WeakPolarHBondContact O-CA 3.3Å; S307-M311 PolarHBondContact O-N 3.41Å; S307-V312 PolarHBondContact O-N 2.87Å; S307-R317 WeakPolarHBondContact OG-CD 3.33Å; S307-R317 PolarHBondContact OG-NH1 2.95Å
308A87.5Confident89Confident65 Ų6560.1 Ų60.154%0.53731%0.305SS..Hα-helixtrans-69.7-30.9-179.300000112.8E304 E305 Y306 M311E304-A308 WeakPolarHBondContact O-CB 3.36Å; E304-A308 PolarHBondContact O-N 2.9Å; E305-A308 PolarHBondContact O-N 3.02Å; Y306-A308 VanDerWaalsContact C-N 3.34Å; Y306-A308 PolarHBondContact O-N 3.1Å; A308-M311 WeakPolarHBondContact O-CE 3.4Å
309R88.1Confident89.1Confident173 Ų17358.2 Ų58.265%0.65328%0.284SS*.Hα-helixtrans-80.9-37.4179.1-70.9165.2-172.8-86.8-7.4113E305 Y306 S307E305-R309 WeakPolarHBondContact O-CB 3.46Å; E305-R309 WeakPolarHBondContact O-CD 3.35Å; E305-R309 WeakPolarHBondContact O-CG 3.14Å; E305-R309 PolarHBondContact O-N 3.36Å; E305-R309 IonicContact OE2-CZ 3.48Å; E305-R309 IonicContact OE2-NE 3.68Å; E305-R309 PolarHBondContact OE2-NE 3.03Å; E305-R309 IonicContact OE2-NH2 2.75Å; E305-R309 PolarHBondContact OE2-NH2 3.31Å; Y306-R309 PolarHBondContact O-N 2.86Å; S307-R309 VanDerWaalsContact C-N 3.35Å
310Y87.3Confident89.2Confident91 Ų9157.2 Ų57.236%0.35728%0.281SS..Hα-helixtrans-110.99.6-173.6-56.5-60.4000114.2H269 Y306 V312H269-Y310 AromaticContact CD2-CD1 3.86Å; H269-Y310 AromaticContact CD2-CG 3.98Å; H269-Y310 AromaticContact CE1-CD1 3.34Å; H269-Y310 WeakPolarHBondContact CE1-CD1 3.46Å; H269-Y310 AromaticContact CE1-CD2 3.89Å; H269-Y310 AromaticContact CE1-CE1 3.61Å; H269-Y310 AromaticContact CE1-CG 3.49Å; H269-Y310 VanDerWaalsContact CE1-CG 3.49Å; H269-Y310 AromaticContact CE1-CZ 3.97Å; H269-Y310 AromaticContact CG-CG 3.87Å; H269-Y310 AromaticContact ND1-CD1 3.9Å; H269-Y310 AromaticContact ND1-CD2 3.85Å; H269-Y310 AromaticContact ND1-CG 3.57Å; H269-Y310 AromaticContact NE2-CD1 3.26Å; H269-Y310 VanDerWaalsContact NE2-CD1 3.26Å; H269-Y310 WeakPolarHBondContact NE2-CD1 3.29Å; H269-Y310 AromaticContact NE2-CE1 3.75Å; H269-Y310 AromaticContact NE2-CG 3.73Å; Y306-Y310 AromaticContact CD1-CD2 3.77Å; Y306-Y310 HydrophobicContact CD1-CD2 3.77Å; Y306-Y310 AromaticContact CD2-CD2 3.83Å; Y306-Y310 HydrophobicContact CD2-CD2 3.83Å; Y306-Y310 AromaticContact CD2-CE2 3.83Å; Y306-Y310 HydrophobicContact CD2-CE2 3.83Å; Y306-Y310 AromaticContact CE1-CD2 3.7Å; Y306-Y310 HydrophobicContact CE1-CD2 3.7Å; Y306-Y310 HydrophobicContact CE1-CG 4.41Å; Y306-Y310 AromaticContact CE2-CD2 3.78Å; Y306-Y310 HydrophobicContact CE2-CD2 3.78Å; Y306-Y310 AromaticContact CE2-CE2 3.76Å; Y306-Y310 HydrophobicContact CE2-CE2 3.76Å; Y306-Y310 AromaticContact CG-CD2 3.83Å; Y306-Y310 HydrophobicContact CG-CD2 3.83Å; Y306-Y310 HydrophobicContact CG-CE2 4.25Å; Y306-Y310 AromaticContact CZ-CD2 3.71Å; Y306-Y310 WeakPolarHBondContact O-CD2 3.38Å; Y306-Y310 PolarHBondContact O-N 2.94Å; Y310-V312 VanDerWaalsContact C-N 3.27Å; Y310-V312 PolarHBondContact O-N 2.85Å
311M85.5Confident89.4Confident150 Ų15056.1 Ų56.174%0.73927%0.271SS*.THydrogen-bonded Turntrans59.728.9174.3-58.2-65.2159.100115.4S307 A308 R313S307-M311 VanDerWaalsContact O-CA 3.31Å; S307-M311 WeakPolarHBondContact O-CA 3.3Å; S307-M311 PolarHBondContact O-N 3.41Å; A308-M311 WeakPolarHBondContact O-CE 3.4Å; M311-R313 PolarHBondContact O-N 3.36Å
312V87.4Confident89.5Confident9 Ų950.8 Ų50.86%0.05525%0.247CC..  trans-62.1124.6176.2-175.50000109.9H269 D270 Y273 Y306 S307 Y310 F316 R317H269-V312 HydrophobicContact CB-CG2 4.24Å; D270-V312 WeakPolarHBondContact OD1-CG1 3.41Å; Y273-V312 HydrophobicContact CD1-CG1 3.92Å; Y273-V312 HydrophobicContact CD2-CG1 4.28Å; Y273-V312 HydrophobicContact CD2-CG2 4.44Å; Y273-V312 HydrophobicContact CG-CB 4.49Å; Y273-V312 HydrophobicContact CG-CG1 3.75Å; Y273-V312 HydrophobicContact CG-CG2 4.35Å; Y306-V312 HydrophobicContact CD1-CG2 4.03Å; Y306-V312 HydrophobicContact CE1-CG2 3.92Å; S307-V312 PolarHBondContact O-N 2.87Å; Y310-V312 VanDerWaalsContact C-N 3.27Å; Y310-V312 PolarHBondContact O-N 2.85Å; V312-F316 HydrophobicContact CG1-CD1 4.31Å; V312-R317 HydrophobicContact CB-CG 4.45Å; V312-R317 HydrophobicContact CG1-CG 3.56Å
313R86.9Confident89.6Confident84 Ų8447.9 Ų47.932%0.31723%0.231SC..  trans-78.1139.3-161.8-60.9176.5-59.6117.36.2112.5D270 M311 C315 F316 R317 E373D270-R313 IonicContact OD2-NE 3.95Å; D270-R313 IonicContact OD2-NH2 2.99Å; M311-R313 PolarHBondContact O-N 3.36Å; R313-C315 PolarHBondContact O-N 3.07Å; R313-F316 PolarHBondContact O-N 3.45Å; R313-R317 WeakPolarHBondContact O-CG 3.33Å; R313-R317 PolarHBondContact O-N 2.88Å; R313-E373 IonicContact CZ-OE1 2.68Å; R313-E373 IonicContact CZ-OE2 3.99Å; R313-E373 IonicContact NH1-OE1 2.99Å; R313-E373 PolarHBondContact NH1-OE1 3.13Å; R313-E373 IonicContact NH1-OE2 2.67Å; R313-E373 PolarHBondContact NH1-OE2 3.34Å; R313-E373 IonicContact NH2-OE1 2.67Å; R313-E373 PolarHBondContact NH2-OE1 3.19Å; R313-E373 IonicContact NH2-OE2 3.88Å
314G86.7Confident89.7Confident23 Ų2348.4 Ų48.424%0.23723%0.234CC..Hα-helixtrans-51.1-48.5-17400000114.3R317 H318 F346G314-R317 PolarHBondContact O-N 2.95Å; G314-H318 PolarHBondContact O-CD2 3.36Å; G314-H318 PolarHBondContact O-N 3.49Å; G314-F346 WeakPolarHBondContact O-CE1 3.26Å
315C86.8Confident89.8Confident5 Ų542.7 Ų42.73%0.03421%0.207CC..Hα-helixtrans-64.9-53.8-177.2-162.90000111.2R313 R317 H318 V319 H350 V369 E373R313-C315 PolarHBondContact O-N 3.07Å; C315-R317 VanDerWaalsContact C-N 3.3Å; C315-R317 PolarHBondContact O-N 3.34Å; C315-H318 PolarHBondContact O-N 3.33Å; C315-V319 WeakPolarHBondContact O-CG2 3.33Å; C315-V319 PolarHBondContact O-N 2.91Å; C315-H350 HydrophobicContact CB-CB 4.41Å; C315-V369 HydrophobicContact CB-CG1 4.45Å; C315-V369 HydrophobicContact CB-CG2 4.1Å; C315-E373 WeakPolarHBondContact CB-OE1 3.42Å
316F88.8Confident89.9Confident22 Ų2239.8 Ų39.810%0.09619%0.194CC..Hα-helixtrans-44.6-49.5173.7-176.6-92.9000113.2D270 V312 R313 H318 V319 T320 E373D270-F316 HydrophobicContact CB-CD1 4.15Å; D270-F316 HydrophobicContact CB-CE1 3.8Å; D270-F316 HydrophobicContact CB-CE2 4.35Å; D270-F316 HydrophobicContact CB-CZ 3.9Å; D270-F316 WeakPolarHBondContact O-CE1 3.29Å; V312-F316 HydrophobicContact CG1-CD1 4.31Å; R313-F316 PolarHBondContact O-N 3.45Å; F316-H318 VanDerWaalsContact C-N 3.3Å; F316-H318 PolarHBondContact O-N 3Å; F316-V319 PolarHBondContact O-N 2.88Å; F316-T320 WeakPolarHBondContact O-CB 3.33Å; F316-T320 PolarHBondContact O-N 3.22Å; F316-T320 PolarHBondContact O-OG1 3.36Å; F316-E373 WeakPolarHBondContact CA-OE1 3.48Å; F316-E373 HydrophobicContact CB-CG 4.33Å; F316-E373 WeakPolarHBondContact CB-OE1 3.42Å; F316-E373 PolarHBondContact N-OE1 3.33Å
317R91.4Very high89.9Confident50 Ų5039.9 Ų39.919%0.18920%0.198CC..Hα-helixtrans-60.3-35.2-179.5-60.2179.8-53165.86.8113.9Y273 Q277 S307 V312 R313 G314 C315 L321Y273-R317 HydrophobicContact CD1-CG 3.95Å; Y273-R317 HydrophobicContact CE1-CB 3.75Å; Y273-R317 HydrophobicContact CE1-CG 3.46Å; Y273-R317 VanDerWaalsContact CE1-CG 3.46Å; Q277-R317 PolarHBondContact NE2-O 3.47Å; Q277-R317 PolarHBondContact OE1-O 3.02Å; S307-R317 WeakPolarHBondContact OG-CD 3.33Å; S307-R317 PolarHBondContact OG-NH1 2.95Å; V312-R317 HydrophobicContact CB-CG 4.45Å; V312-R317 HydrophobicContact CG1-CG 3.56Å; R313-R317 WeakPolarHBondContact O-CG 3.33Å; R313-R317 PolarHBondContact O-N 2.88Å; G314-R317 PolarHBondContact O-N 2.95Å; C315-R317 VanDerWaalsContact C-N 3.3Å; C315-R317 PolarHBondContact O-N 3.34Å; R317-L321 VanDerWaalsContact O-CB 3.28Å; R317-L321 WeakPolarHBondContact O-CB 3.43Å; R317-L321 PolarHBondContact O-N 2.94Å
318H91.8Very high89.9Confident22 Ų2241.6 Ų41.610%0.10221%0.205CC..Hα-helixtrans-87.2-32.7179.4-76.6-77.5000112.6G314 C315 F316 L321 L322 Y342 S343 F346 C347G314-H318 PolarHBondContact O-CD2 3.36Å; G314-H318 PolarHBondContact O-N 3.49Å; C315-H318 PolarHBondContact O-N 3.33Å; F316-H318 VanDerWaalsContact C-N 3.3Å; F316-H318 PolarHBondContact O-N 3Å; H318-L321 PolarHBondContact O-N 2.95Å; H318-L322 WeakPolarHBondContact O-CB 3.32Å; H318-L322 VanDerWaalsContact O-CG 3.24Å; H318-L322 WeakPolarHBondContact O-CG 3.5Å; H318-L322 PolarHBondContact O-N 3.03Å; H318-Y342 AromaticContact CE1-CE1 3.74Å; H318-S343 PolarHBondContact ND1-OG 3.5Å; H318-F346 HydrophobicContact CB-CD1 4.14Å; H318-F346 AromaticContact CD2-CD1 3.31Å; H318-F346 WeakPolarHBondContact CD2-CD1 3.31Å; H318-F346 AromaticContact CD2-CE1 3.67Å; H318-F346 AromaticContact CD2-CG 3.61Å; H318-F346 AromaticContact CG-CD1 3.85Å; H318-F346 AromaticContact NE2-CG 3.95Å; H318-C347 VanDerWaalsContact C-SG 3.58Å; H318-C347 WeakPolarHBondContact CB-SG 3.25Å
319V91.3Very high89.9Confident4 Ų439.2 Ų39.22%0.02419%0.185CC..Hα-helixtrans-61.7-50.1171.9172.70000109.4C315 F316 L321 L322 S323 C347 K376 F377 I380C315-V319 WeakPolarHBondContact O-CG2 3.33Å; C315-V319 PolarHBondContact O-N 2.91Å; F316-V319 PolarHBondContact O-N 2.88Å; V319-L321 PolarHBondContact O-N 3.37Å; V319-L322 PolarHBondContact O-N 2.94Å; V319-S323 PolarHBondContact O-N 3.17Å; V319-C347 HydrophobicContact CG2-CB 4.36Å; V319-C347 VanDerWaalsContact CG2-SG 3.55Å; V319-C347 PolarHBondContact N-SG 2.76Å; V319-C347 VanDerWaalsContact N-SG 3.44Å; V319-K376 HydrophobicContact CG1-CB 3.76Å; V319-F377 HydrophobicContact CG2-CB 4.19Å; V319-F377 HydrophobicContact CG2-CD2 4.48Å; V319-I380 HydrophobicContact CG1-CD1 3.7Å; V319-I380 WeakPolarHBondContact O-CD1 3.44Å
320T91.5Very high89.8Confident17 Ų1735 Ų3510%0.10418%0.175CC..Hα-helixtrans-62.1-43.8177-57.50000112S274 F316 L322 S323 N324S274-T320 VanDerWaalsContact OG-CG2 3.27Å; S274-T320 WeakPolarHBondContact OG-CG2 3.42Å; F316-T320 WeakPolarHBondContact O-CB 3.33Å; F316-T320 PolarHBondContact O-N 3.22Å; F316-T320 PolarHBondContact O-OG1 3.36Å; T320-L322 PolarHBondContact O-N 3.13Å; T320-S323 WeakPolarHBondContact O-CB 3.32Å; T320-S323 PolarHBondContact O-N 3.06Å; T320-N324 PolarHBondContact O-N 3.35Å
321L93Very high89.7Confident8 Ų835.9 Ų35.94%0.04219%0.187CC..Hα-helixtrans-60-44.9175.5-176.958.1000112.1Q277 F295 R317 H318 V319 S323 N324 L325Q277-L321 HydrophobicContact CG-CD1 4.35Å; F295-L321 HydrophobicContact CE2-CD1 3.69Å; F295-L321 HydrophobicContact CE2-CD2 4.11Å; F295-L321 HydrophobicContact CZ-CD1 3.67Å; R317-L321 VanDerWaalsContact O-CB 3.28Å; R317-L321 WeakPolarHBondContact O-CB 3.43Å; R317-L321 PolarHBondContact O-N 2.94Å; H318-L321 PolarHBondContact O-N 2.95Å; V319-L321 PolarHBondContact O-N 3.37Å; L321-S323 VanDerWaalsContact C-N 3.35Å; L321-S323 PolarHBondContact O-N 3.2Å; L321-N324 PolarHBondContact O-N 3.47Å; L321-L325 HydrophobicContact CD1-CD1 4.14Å; L321-L325 HydrophobicContact CD1-CG 4.08Å; L321-L325 HydrophobicContact CG-CD1 3.85Å; L321-L325 HydrophobicContact CG-CG 4.25Å; L321-L325 WeakPolarHBondContact O-CB 3.5Å; L321-L325 VanDerWaalsContact O-CG 3.24Å; L321-L325 WeakPolarHBondContact O-CG 3.22Å; L321-L325 PolarHBondContact O-N 2.84Å
322L93.4Very high89.4Confident1 Ų131.8 Ų31.81%0.00518%0.182CC..Hα-helixtrans-60-44.4176.3-76.9166.4000111.4H318 V319 T320 N324 L325 L326 I340 F344 I380H318-L322 WeakPolarHBondContact O-CB 3.32Å; H318-L322 VanDerWaalsContact O-CG 3.24Å; H318-L322 WeakPolarHBondContact O-CG 3.5Å; H318-L322 PolarHBondContact O-N 3.03Å; V319-L322 PolarHBondContact O-N 2.94Å; T320-L322 PolarHBondContact O-N 3.13Å; L322-N324 VanDerWaalsContact C-N 3.35Å; L322-N324 PolarHBondContact O-N 3.3Å; L322-L325 PolarHBondContact O-N 3.41Å; L322-L326 WeakPolarHBondContact O-CB 3.38Å; L322-L326 VanDerWaalsContact O-CG 3.29Å; L322-L326 WeakPolarHBondContact O-CG 3.21Å; L322-L326 PolarHBondContact O-N 2.7Å; L322-I340 HydrophobicContact CD2-CG2 3.94Å; L322-F344 HydrophobicContact CD1-CB 4.4Å; L322-F344 HydrophobicContact CD2-CB 4.37Å; L322-I380 HydrophobicContact CB-CG2 3.67Å; L322-I380 HydrophobicContact CD1-CG2 4.3Å
323S93.8Very high89.2Confident30 Ų3034.8 Ų34.821%0.2120%0.198CC..Hα-helixtrans-55.1-52.7174.8-167.40000110.5V319 T320 L321 L325 L326 D327V319-S323 PolarHBondContact O-N 3.17Å; T320-S323 WeakPolarHBondContact O-CB 3.32Å; T320-S323 PolarHBondContact O-N 3.06Å; L321-S323 VanDerWaalsContact C-N 3.35Å; L321-S323 PolarHBondContact O-N 3.2Å; S323-L325 VanDerWaalsContact C-N 3.34Å; S323-L325 PolarHBondContact O-N 2.86Å; S323-L326 WeakPolarHBondContact O-CB 3.36Å; S323-L326 PolarHBondContact O-N 2.85Å; S323-L326 VanDerWaalsContact O-N 3.16Å; S323-D327 PolarHBondContact O-N 3.44Å
324N92.6Very high88.8Confident19 Ų1937.1 Ų37.110%0.10222%0.216CC..Hα-helixtrans-66.7-34.5-176.6-62170.1000112.6R278 L281 T320 L321 L322 D327 K328R278-N324 WeakPolarHBondContact CB-OD1 3.46Å; L281-N324 HydrophobicContact CD2-CB 3.75Å; T320-N324 PolarHBondContact O-N 3.35Å; L321-N324 PolarHBondContact O-N 3.47Å; L322-N324 VanDerWaalsContact C-N 3.35Å; L322-N324 PolarHBondContact O-N 3.3Å; N324-D327 PolarHBondContact O-N 2.96Å; N324-K328 VanDerWaalsContact O-CG 3.28Å; N324-K328 WeakPolarHBondContact O-CG 2.98Å; N324-K328 PolarHBondContact O-N 2.93Å; N324-K328 VanDerWaalsContact O-N 3.16Å
325L92.6Very high88.7Confident0 Ų037 Ų370%021%0.21CC..Hα-helixtrans-67.2-38.3173.5-69.7172.3000111.8L281 L321 L322 S323 K328 A329 I335 L339 I340L281-L325 HydrophobicContact CD1-CD2 3.95Å; L281-L325 HydrophobicContact CD2-CD2 4.06Å; L321-L325 HydrophobicContact CD1-CD1 4.14Å; L321-L325 HydrophobicContact CD1-CG 4.08Å; L321-L325 HydrophobicContact CG-CD1 3.85Å; L321-L325 HydrophobicContact CG-CG 4.25Å; L321-L325 WeakPolarHBondContact O-CB 3.5Å; L321-L325 VanDerWaalsContact O-CG 3.24Å; L321-L325 WeakPolarHBondContact O-CG 3.22Å; L321-L325 PolarHBondContact O-N 2.84Å; L322-L325 PolarHBondContact O-N 3.41Å; S323-L325 VanDerWaalsContact C-N 3.34Å; S323-L325 PolarHBondContact O-N 2.86Å; L325-K328 PolarHBondContact O-N 3.41Å; L325-A329 PolarHBondContact O-N 3.47Å; L325-I335 HydrophobicContact CB-CG2 4.37Å; L325-I335 HydrophobicContact CD2-CD1 4.24Å; L325-I335 HydrophobicContact CD2-CG2 3.86Å; L325-L339 HydrophobicContact CD1-CD2 3.87Å; L325-L339 HydrophobicContact CD1-CG 3.82Å; L325-L339 HydrophobicContact CD2-CD2 3.91Å; L325-I340 HydrophobicContact CD1-CG1 4.45Å
326L91.9Very high88.5Confident3 Ų338.8 Ų38.82%0.01622%0.219CC..Hα-helixtrans-66.3-44173.5-70.2177.6000111.5L322 S323 K328 A329 D330 I380 R383 L384 L387L322-L326 WeakPolarHBondContact O-CB 3.38Å; L322-L326 VanDerWaalsContact O-CG 3.29Å; L322-L326 WeakPolarHBondContact O-CG 3.21Å; L322-L326 PolarHBondContact O-N 2.7Å; S323-L326 WeakPolarHBondContact O-CB 3.36Å; S323-L326 PolarHBondContact O-N 2.85Å; S323-L326 VanDerWaalsContact O-N 3.16Å; L326-K328 PolarHBondContact O-N 3.01Å; L326-A329 CarbonylContact O-C 3.57Å; L326-A329 PolarHBondContact O-N 3.42Å; L326-D330 WeakPolarHBondContact O-CB 3.39Å; L326-D330 PolarHBondContact O-N 3.06Å; L326-I380 HydrophobicContact CD1-CG2 3.87Å; L326-R383 HydrophobicContact CD1-CB 3.84Å; L326-L384 HydrophobicContact CD1-CB 4.19Å; L326-L384 HydrophobicContact CD2-CB 4.19Å; L326-L384 HydrophobicContact CD2-CD1 3.95Å; L326-L387 HydrophobicContact CD2-CB 4.48Å; L326-L387 HydrophobicContact CD2-CD2 3.44Å; L326-L387 VanDerWaalsContact CD2-CD2 3.44Å
327D91.2Very high88Confident55 Ų5539.1 Ų39.129%0.29422%0.223SC..Hα-helixtrans-56.6-39.6177-56.5-33000110.9S323 N324 D330 D331 R383S323-D327 PolarHBondContact O-N 3.44Å; N324-D327 PolarHBondContact O-N 2.96Å; D327-D330 PolarHBondContact O-N 3.38Å; D327-D331 PolarHBondContact O-N 3.47Å; D327-R383 IonicContact OD1-CZ 2.69Å; D327-R383 VanDerWaalsContact OD1-CZ 3.27Å; D327-R383 IonicContact OD1-NH1 3.84Å; D327-R383 PolarHBondContact OD1-NH1 2.93Å; D327-R383 IonicContact OD1-NH2 2.8Å; D327-R383 PolarHBondContact OD1-NH2 3.38Å
328K89.4Confident87.6Confident42 Ų4239 Ų3918%0.18323%0.233CC..Hα-helixtrans-73.8-32.9175.2-61.1-61.6175.4-166.20113.9L281 D282 I285 N324 L325 L326 D330 D331 G332 L333 I335L281-K328 HydrophobicContact CD2-CG 4.42Å; D282-K328 WeakPolarHBondContact OD1-CE 3.45Å; D282-K328 IonicContact OD1-NZ 3.75Å; D282-K328 PolarHBondContact OD1-NZ 2.95Å; I285-K328 HydrophobicContact CD1-CB 3.97Å; I285-K328 HydrophobicContact CD1-CD 4.08Å; I285-K328 HydrophobicContact CD1-CG 3.61Å; N324-K328 VanDerWaalsContact O-CG 3.28Å; N324-K328 WeakPolarHBondContact O-CG 2.98Å; N324-K328 PolarHBondContact O-N 2.93Å; N324-K328 VanDerWaalsContact O-N 3.16Å; L325-K328 PolarHBondContact O-N 3.41Å; L326-K328 PolarHBondContact O-N 3.01Å; K328-D330 VanDerWaalsContact C-N 3.34Å; K328-D331 WeakPolarHBondContact O-CB 3.43Å; K328-D331 PolarHBondContact O-N 3.41Å; K328-G332 PolarHBondContact O-N 2.87Å; K328-L333 HydrophobicContact CB-CD1 4.08Å; K328-L333 HydrophobicContact CD-CD1 3.81Å; K328-L333 HydrophobicContact CG-CD1 4.48Å; K328-L333 VanDerWaalsContact O-CB 3.28Å; K328-L333 WeakPolarHBondContact O-CB 3.43Å; K328-L333 PolarHBondContact O-N 3Å; K328-I335 HydrophobicContact CB-CD1 4.11Å; K328-I335 HydrophobicContact CB-CG1 4.48Å
329A86.3Confident87.4Confident16 Ų1638.4 Ų38.413%0.13223%0.23CC..Hα-helixtrans-69-34.4172.400000111.9L325 L326 G332 I335 L387L325-A329 PolarHBondContact O-N 3.47Å; L326-A329 CarbonylContact O-C 3.57Å; L326-A329 PolarHBondContact O-N 3.42Å; A329-G332 PolarHBondContact O-N 3.38Å; A329-G332 VanDerWaalsContact O-N 3.08Å; A329-I335 HydrophobicContact CB-CG1 4.39Å; A329-L387 HydrophobicContact CB-CD1 4.33Å; A329-L387 HydrophobicContact CB-CD2 3.65Å
330D86.2Confident87.3Confident83 Ų8338.7 Ų38.744%0.44423%0.232SC..Hα-helixtrans-67.6-36.9173.4-73-31.2000111.5L326 D327 K328 G332 R383L326-D330 WeakPolarHBondContact O-CB 3.39Å; L326-D330 PolarHBondContact O-N 3.06Å; D327-D330 PolarHBondContact O-N 3.38Å; K328-D330 VanDerWaalsContact C-N 3.34Å; D330-G332 PolarHBondContact O-N 2.97Å; D330-G332 VanDerWaalsContact O-N 3.13Å; D330-R383 IonicContact OD2-CZ 3.74Å; D330-R383 IonicContact OD2-NE 3.46Å; D330-R383 IonicContact OD2-NH2 3.62Å; D330-R383 PolarHBondContact OD2-NH2 3Å
331D85.7Confident87.1Confident111 Ų11141.3 Ų41.359%0.59424%0.243SC*.THydrogen-bonded Turntrans-64.2-5.5168.2-73.6-25.3000113.6D327 K328 L333D327-D331 PolarHBondContact O-N 3.47Å; K328-D331 WeakPolarHBondContact O-CB 3.43Å; K328-D331 PolarHBondContact O-N 3.41Å; D331-L333 HydrophobicContact CB-CD1 4.01Å; D331-L333 HydrophobicContact CB-CG 4.46Å
332G79.1Confident86.9Confident63 Ų6347.4 Ų47.465%0.64927%0.266SS*.THydrogen-bonded Turntrans84.413.6179.400000115K328 A329 D330K328-G332 PolarHBondContact O-N 2.87Å; A329-G332 PolarHBondContact O-N 3.38Å; A329-G332 VanDerWaalsContact O-N 3.08Å; D330-G332 PolarHBondContact O-N 2.97Å; D330-G332 VanDerWaalsContact O-N 3.13Å
333L83.8Confident86.7Confident72 Ų7247.4 Ų47.438%0.37727%0.266SS..  trans-83.6139.1177.7-60.8151.8000110.5I285 K328 D331 I335I285-L333 HydrophobicContact CG2-CD1 4.05Å; I285-L333 HydrophobicContact CG2-CD2 4.03Å; I285-L333 HydrophobicContact CG2-CG 4.45Å; K328-L333 HydrophobicContact CB-CD1 4.08Å; K328-L333 HydrophobicContact CD-CD1 3.81Å; K328-L333 HydrophobicContact CG-CD1 4.48Å; K328-L333 VanDerWaalsContact O-CB 3.28Å; K328-L333 WeakPolarHBondContact O-CB 3.43Å; K328-L333 PolarHBondContact O-N 3Å; D331-L333 HydrophobicContact CB-CD1 4.01Å; D331-L333 HydrophobicContact CB-CG 4.46Å; L333-I335 PolarHBondContact O-N 3.29Å
334L77.2Confident86.5Confident133 Ų13346.2 Ų46.270%0.69626%0.257SS*.  trans-74.1115.8178.4-71.8168.4000110.8L292L292-L334 HydrophobicContact CD2-CB 3.98Å; L292-L334 WeakPolarHBondContact CD2-O 3.34Å
335I85.5Confident86.3Confident21 Ų2146.9 Ų46.911%0.10827%0.265CS..  trans-110.2141.6174.6-56.8-58.7000109.1I285 L325 K328 A329 L333 P337 I340I285-I335 HydrophobicContact CD1-CD1 4.05Å; L325-I335 HydrophobicContact CB-CG2 4.37Å; L325-I335 HydrophobicContact CD2-CD1 4.24Å; L325-I335 HydrophobicContact CD2-CG2 3.86Å; K328-I335 HydrophobicContact CB-CD1 4.11Å; K328-I335 HydrophobicContact CB-CG1 4.48Å; A329-I335 HydrophobicContact CB-CG1 4.39Å; L333-I335 PolarHBondContact O-N 3.29Å; I335-P337 WeakPolarHBondContact O-CD 3.34Å; I335-I340 HydrophobicContact CB-CD1 4.39Å; I335-I340 HydrophobicContact CG2-CD1 3.88Å; I335-I340 HydrophobicContact CG2-CG1 3.91Å
336D82.3Confident86Confident42 Ų4249.2 Ų49.223%0.22528%0.276CS..  trans-67.7119.8177.5-170.7-25000111.1L292 W294 A338 L339 I340L292-D336 HydrophobicContact CB-CB 3.93Å; L292-D336 PolarHBondContact O-N 3.32Å; W294-D336 PolarHBondContact NE1-OD2 3Å; D336-A338 PolarHBondContact O-N 3.09Å; D336-A338 VanDerWaalsContact O-N 3.15Å; D336-A338 VanDerWaalsContact OD1-CB 3.25Å; D336-A338 WeakPolarHBondContact OD1-CB 3.4Å; D336-A338 PolarHBondContact OD1-N 3.44Å; D336-L339 HydrophobicContact CB-CB 4.35Å; D336-L339 WeakPolarHBondContact O-CB 3.31Å; D336-L339 PolarHBondContact O-N 3.07Å; D336-L339 VanDerWaalsContact O-N 3.08Å; D336-I340 PolarHBondContact O-N 2.93Å
337P78.1Confident85.9Confident29 Ų2949.1 Ų49.119%0.18828%0.275CS..Hα-helixtrans-56.5-29.1176.3-2535.2000113.7I335 L339 I340 H341I335-P337 WeakPolarHBondContact O-CD 3.34Å; P337-L339 VanDerWaalsContact C-N 3.34Å; P337-L339 PolarHBondContact O-N 3.31Å; P337-I340 PolarHBondContact O-N 3.3Å; P337-H341 WeakPolarHBondContact O-CB 3.36Å; P337-H341 PolarHBondContact O-N 2.88Å
338A83.2Confident85.5Confident48 Ų4847.1 Ų47.140%0.39727%0.266SS..Hα-helixtrans-67.2-33178.300000112.7W294 D336 Y342W294-A338 HydrophobicContact CZ2-CB 4.38Å; D336-A338 PolarHBondContact O-N 3.09Å; D336-A338 VanDerWaalsContact O-N 3.15Å; D336-A338 VanDerWaalsContact OD1-CB 3.25Å; D336-A338 WeakPolarHBondContact OD1-CB 3.4Å; D336-A338 PolarHBondContact OD1-N 3.44Å; A338-Y342 WeakPolarHBondContact O-CB 3.49Å; A338-Y342 PolarHBondContact O-N 3.14Å
339L87.9Confident85.2Confident9 Ų946.2 Ų46.25%0.04727%0.265CS..Hα-helixtrans-71.1-42.7177.3177.561.3000111.5G293 W294 L325 D336 P337 S343G293-L339 VanDerWaalsContact C-CD2 3.41Å; G293-L339 VanDerWaalsContact O-CD2 3.31Å; G293-L339 WeakPolarHBondContact O-CD2 3.39Å; W294-L339 HydrophobicContact CD2-CB 4.41Å; W294-L339 HydrophobicContact CD2-CD1 4.33Å; W294-L339 HydrophobicContact CD2-CD2 4.46Å; W294-L339 HydrophobicContact CE3-CD1 3.94Å; W294-L339 HydrophobicContact CH2-CB 4.27Å; W294-L339 HydrophobicContact CH2-CD1 4.2Å; W294-L339 HydrophobicContact CZ2-CB 3.91Å; W294-L339 HydrophobicContact CZ3-CD1 3.88Å; L325-L339 HydrophobicContact CD1-CD2 3.87Å; L325-L339 HydrophobicContact CD1-CG 3.82Å; L325-L339 HydrophobicContact CD2-CD2 3.91Å; D336-L339 HydrophobicContact CB-CB 4.35Å; D336-L339 WeakPolarHBondContact O-CB 3.31Å; D336-L339 PolarHBondContact O-N 3.07Å; D336-L339 VanDerWaalsContact O-N 3.08Å; P337-L339 VanDerWaalsContact C-N 3.34Å; P337-L339 PolarHBondContact O-N 3.31Å; L339-S343 PolarHBondContact O-N 2.96Å; L339-S343 VanDerWaalsContact O-N 3.13Å; L339-S343 PolarHBondContact O-OG 2.88Å
340I89.1Confident84.8Confident10 Ų1048.1 Ų48.15%0.05127%0.271CS..Hα-helixtrans-62-48.3173.4-58.9178000109.3L322 L325 I335 D336 P337 Y342 S343 F344 L384 L414L322-I340 HydrophobicContact CD2-CG2 3.94Å; L325-I340 HydrophobicContact CD1-CG1 4.45Å; I335-I340 HydrophobicContact CB-CD1 4.39Å; I335-I340 HydrophobicContact CG2-CD1 3.88Å; I335-I340 HydrophobicContact CG2-CG1 3.91Å; D336-I340 PolarHBondContact O-N 2.93Å; P337-I340 PolarHBondContact O-N 3.3Å; I340-Y342 PolarHBondContact O-N 2.93Å; I340-S343 PolarHBondContact O-N 3.47Å; I340-F344 VanDerWaalsContact O-CB 3.25Å; I340-F344 WeakPolarHBondContact O-CB 3.32Å; I340-F344 PolarHBondContact O-N 3.3Å; I340-L384 HydrophobicContact CG2-CD1 3.65Å; I340-L384 HydrophobicContact CG2-CD2 4Å; I340-L414 HydrophobicContact CB-CD2 4.36Å; I340-L414 HydrophobicContact CG2-CD2 3.9Å
341H87.3Confident84.5Confident73 Ų7344.9 Ų44.934%0.33826%0.255SS..Hα-helixtrans-59.9-42.7179.1176-94000113P337 A345 L414 R417P337-H341 WeakPolarHBondContact O-CB 3.36Å; P337-H341 PolarHBondContact O-N 2.88Å; H341-A345 VanDerWaalsContact O-CB 3.28Å; H341-A345 WeakPolarHBondContact O-CB 3.35Å; H341-A345 PolarHBondContact O-N 2.88Å; H341-L414 HydrophobicContact CB-CD1 4.15Å; H341-L414 HydrophobicContact CB-CD2 4.23Å; H341-R417 PolarHBondContact NE2-NH1 2.82Å
342Y88.1Confident84Confident136 Ų13642.1 Ų42.153%0.53324%0.238SC..Hα-helixtrans-61.3-50.4175.6175.8-104.9000111.9H318 A338 I340 A345 F346H318-Y342 AromaticContact CE1-CE1 3.74Å; A338-Y342 WeakPolarHBondContact O-CB 3.49Å; A338-Y342 PolarHBondContact O-N 3.14Å; I340-Y342 PolarHBondContact O-N 2.93Å; Y342-A345 PolarHBondContact O-N 3.22Å; Y342-F346 PolarHBondContact O-N 3Å
343S89.6Confident83.3Confident0 Ų039.7 Ų39.70%021%0.213CC..Hα-helixtrans-67.5-38.8-178.9-60.80000111.9H318 L339 I340 F346 C347H318-S343 PolarHBondContact ND1-OG 3.5Å; L339-S343 PolarHBondContact O-N 2.96Å; L339-S343 VanDerWaalsContact O-N 3.13Å; L339-S343 PolarHBondContact O-OG 2.88Å; I340-S343 PolarHBondContact O-N 3.47Å; S343-F346 PolarHBondContact O-N 3.08Å; S343-C347 PolarHBondContact O-N 2.88Å; S343-C347 PolarHBondContact O-SG 3.27Å; S343-C347 VanDerWaalsContact O-SG 3.38Å
344F90.6Very high82Confident5 Ų541.3 Ų41.32%0.02222%0.222CC..Hα-helixtrans-62.5-47.1175.3-177.6-95.9000111.8L322 I340 F346 C347 A348 F377 K381 L384 L414 R417 V418L322-F344 HydrophobicContact CD1-CB 4.4Å; L322-F344 HydrophobicContact CD2-CB 4.37Å; I340-F344 VanDerWaalsContact O-CB 3.25Å; I340-F344 WeakPolarHBondContact O-CB 3.32Å; I340-F344 PolarHBondContact O-N 3.3Å; F344-F346 VanDerWaalsContact C-N 3.31Å; F344-F346 PolarHBondContact O-N 3.02Å; F344-C347 PolarHBondContact O-N 3.3Å; F344-A348 HydrophobicContact CE1-CB 4.4Å; F344-A348 VanDerWaalsContact O-CB 3.29Å; F344-A348 WeakPolarHBondContact O-CB 3.4Å; F344-A348 PolarHBondContact O-N 2.75Å; F344-F377 AromaticContact CD2-CE2 3.85Å; F344-F377 HydrophobicContact CD2-CE2 3.85Å; F344-F377 HydrophobicContact CD2-CZ 4.11Å; F344-F377 AromaticContact CE2-CE2 3.72Å; F344-F377 HydrophobicContact CE2-CE2 3.72Å; F344-F377 AromaticContact CE2-CZ 3.57Å; F344-F377 HydrophobicContact CE2-CZ 3.57Å; F344-F377 AromaticContact CZ-CZ 3.98Å; F344-F377 HydrophobicContact CZ-CZ 3.98Å; F344-K381 HydrophobicContact CE2-CB 4.28Å; F344-K381 HydrophobicContact CE2-CG 4.04Å; F344-K381 HydrophobicContact CZ-CG 4.29Å; F344-L384 HydrophobicContact CB-CD2 4.34Å; F344-L384 HydrophobicContact CD2-CD2 3.62Å; F344-L384 HydrophobicContact CE2-CD2 4.2Å; F344-L384 HydrophobicContact CG-CD2 4.04Å; F344-L414 HydrophobicContact CB-CD1 4.29Å; F344-L414 HydrophobicContact CD1-CD1 3.95Å; F344-L414 HydrophobicContact CG-CD1 4.24Å; F344-R417 HydrophobicContact CE1-CB 4.24Å; F344-V418 HydrophobicContact CD1-CG2 4.26Å; F344-V418 HydrophobicContact CD2-CG2 4.35Å; F344-V418 HydrophobicContact CE1-CG2 3.86Å; F344-V418 HydrophobicContact CE2-CG2 3.96Å; F344-V418 HydrophobicContact CG-CG2 4.5Å; F344-V418 HydrophobicContact CZ-CB 4.27Å; F344-V418 HydrophobicContact CZ-CG2 3.71Å
345A87.1Confident80.9Confident34 Ų3443.1 Ų43.128%0.28122%0.219SC..Hα-helixtrans-62.1-38.4176.800000112.1H341 Y342 S349H341-A345 VanDerWaalsContact O-CB 3.28Å; H341-A345 WeakPolarHBondContact O-CB 3.35Å; H341-A345 PolarHBondContact O-N 2.88Å; Y342-A345 PolarHBondContact O-N 3.22Å; A345-S349 WeakPolarHBondContact O-CB 3.5Å; A345-S349 PolarHBondContact O-N 3.14Å; A345-S349 PolarHBondContact O-OG 3.25Å
346F87.4Confident78.8Confident49 Ų4947.2 Ų47.222%0.21525%0.249CC..Hα-helixtrans-60.6-52.5174.4-170.5-80000111.3G314 H318 Y342 S343 F344 S349 H350G314-F346 WeakPolarHBondContact O-CE1 3.26Å; H318-F346 HydrophobicContact CB-CD1 4.14Å; H318-F346 AromaticContact CD2-CD1 3.31Å; H318-F346 WeakPolarHBondContact CD2-CD1 3.31Å; H318-F346 AromaticContact CD2-CE1 3.67Å; H318-F346 AromaticContact CD2-CG 3.61Å; H318-F346 AromaticContact CG-CD1 3.85Å; H318-F346 AromaticContact NE2-CG 3.95Å; Y342-F346 PolarHBondContact O-N 3Å; S343-F346 PolarHBondContact O-N 3.08Å; F344-F346 VanDerWaalsContact C-N 3.31Å; F344-F346 PolarHBondContact O-N 3.02Å; F346-S349 PolarHBondContact O-N 3.18Å; F346-S349 PolarHBondContact O-OG 2.77Å; F346-H350 AromaticContact CD1-CE1 3.91Å; F346-H350 AromaticContact CD1-ND1 3.8Å; F346-H350 AromaticContact CE1-CE1 3.33Å; F346-H350 WeakPolarHBondContact CE1-CE1 3.34Å; F346-H350 AromaticContact CE1-ND1 3.57Å; F346-H350 AromaticContact CE1-NE2 3.87Å; F346-H350 AromaticContact CE2-CE1 3.68Å; F346-H350 AromaticContact CZ-CE1 3.21Å; F346-H350 WeakPolarHBondContact CZ-CE1 3.43Å; F346-H350 AromaticContact CZ-ND1 3.93Å; F346-H350 AromaticContact CZ-NE2 3.68Å; F346-H350 PolarHBondContact O-N 3.23Å; F346-H350 PolarHBondContact O-ND1 2.89Å
347C88.1Confident76.6Confident0 Ų052.8 Ų52.80%028%0.275CS..Hα-helixtrans-60.1-47.8177.7-670000112.2H318 V319 S343 F344 S349 H350 V351 F377H318-C347 VanDerWaalsContact C-SG 3.58Å; H318-C347 WeakPolarHBondContact CB-SG 3.25Å; V319-C347 HydrophobicContact CG2-CB 4.36Å; V319-C347 VanDerWaalsContact CG2-SG 3.55Å; V319-C347 PolarHBondContact N-SG 2.76Å; V319-C347 VanDerWaalsContact N-SG 3.44Å; S343-C347 PolarHBondContact O-N 2.88Å; S343-C347 PolarHBondContact O-SG 3.27Å; S343-C347 VanDerWaalsContact O-SG 3.38Å; F344-C347 PolarHBondContact O-N 3.3Å; C347-S349 VanDerWaalsContact C-N 3.33Å; C347-S349 PolarHBondContact O-N 2.66Å; C347-H350 PolarHBondContact O-N 3.04Å; C347-H350 VanDerWaalsContact O-N 3.14Å; C347-V351 WeakPolarHBondContact O-CG2 3.46Å; C347-V351 PolarHBondContact O-N 2.7Å; C347-F377 HydrophobicContact CB-CD2 3.46Å; C347-F377 VanDerWaalsContact CB-CD2 3.46Å; C347-F377 HydrophobicContact CB-CE2 3.35Å; C347-F377 HydrophobicContact CB-CG 4.36Å; C347-F377 HydrophobicContact CB-CZ 4.17Å
348A84.6Confident75Confident13 Ų1358.1 Ų58.111%0.10731%0.31CS..Hα-helixtrans-58.8-41.5-179.700000112.5F344 H350 H352 F377F344-A348 HydrophobicContact CE1-CB 4.4Å; F344-A348 VanDerWaalsContact O-CB 3.29Å; F344-A348 WeakPolarHBondContact O-CB 3.4Å; F344-A348 PolarHBondContact O-N 2.75Å; A348-H350 VanDerWaalsContact C-N 3.3Å; A348-H350 PolarHBondContact O-N 3.19Å; A348-H352 WeakPolarHBondContact O-CB 3.49Å; A348-H352 PolarHBondContact O-N 3.41Å; A348-H352 PolarHBondContact O-ND1 3.04Å; A348-F377 HydrophobicContact CB-CZ 4.01Å
349S81.6Confident73.1Confident24 Ų2463.1 Ų63.117%0.16833%0.33CS..Hα-helixtrans-65.5-30.3178.264.80000113.8A345 F346 C347 G353 N354A345-S349 WeakPolarHBondContact O-CB 3.5Å; A345-S349 PolarHBondContact O-N 3.14Å; A345-S349 PolarHBondContact O-OG 3.25Å; F346-S349 PolarHBondContact O-N 3.18Å; F346-S349 PolarHBondContact O-OG 2.77Å; C347-S349 VanDerWaalsContact C-N 3.33Å; C347-S349 PolarHBondContact O-N 2.66Å; S349-G353 CarbonylContact O-C 3.59Å; S349-G353 VanDerWaalsContact O-CA 3.29Å; S349-G353 WeakPolarHBondContact O-CA 3.42Å; S349-G353 PolarHBondContact O-N 3.05Å; S349-G353 VanDerWaalsContact O-N 3.12Å; S349-N354 PolarHBondContact O-N 2.92Å
350H79.3Confident70.9Confident55 Ų5573.4 Ų73.426%0.25537%0.368SS..Hα-helixtrans-82.8-39.3177.6-71.572.8000112.3C315 F346 C347 A348 V369C315-H350 HydrophobicContact CB-CB 4.41Å; F346-H350 AromaticContact CD1-CE1 3.91Å; F346-H350 AromaticContact CD1-ND1 3.8Å; F346-H350 AromaticContact CE1-CE1 3.33Å; F346-H350 WeakPolarHBondContact CE1-CE1 3.34Å; F346-H350 AromaticContact CE1-ND1 3.57Å; F346-H350 AromaticContact CE1-NE2 3.87Å; F346-H350 AromaticContact CE2-CE1 3.68Å; F346-H350 AromaticContact CZ-CE1 3.21Å; F346-H350 WeakPolarHBondContact CZ-CE1 3.43Å; F346-H350 AromaticContact CZ-ND1 3.93Å; F346-H350 AromaticContact CZ-NE2 3.68Å; F346-H350 PolarHBondContact O-N 3.23Å; F346-H350 PolarHBondContact O-ND1 2.89Å; C347-H350 PolarHBondContact O-N 3.04Å; C347-H350 VanDerWaalsContact O-N 3.14Å; A348-H350 VanDerWaalsContact C-N 3.3Å; A348-H350 PolarHBondContact O-N 3.19Å; H350-V369 HydrophobicContact CB-CG2 3.65Å; H350-V369 WeakPolarHBondContact O-CG2 3.33Å
351V78.8Confident68.8Low16 Ų1683.1 Ų83.110%0.09741%0.414CS..Hα-helixtrans-70.4-40.2-179.3170.50000112.3C347 V369 K374 F377C347-V351 WeakPolarHBondContact O-CG2 3.46Å; C347-V351 PolarHBondContact O-N 2.7Å; V351-V369 HydrophobicContact CG2-CG1 4.1Å; V351-V369 HydrophobicContact CG2-CG2 4.29Å; V351-K374 HydrophobicContact CG1-CG 4.13Å; V351-F377 HydrophobicContact CB-CD1 4.13Å; V351-F377 HydrophobicContact CB-CE1 4.34Å; V351-F377 HydrophobicContact CG1-CD1 4Å; V351-F377 HydrophobicContact CG1-CE1 4.35Å; V351-F377 HydrophobicContact CG2-CB 4.28Å; V351-F377 HydrophobicContact CG2-CD1 3.78Å; V351-F377 HydrophobicContact CG2-CE1 4.36Å; V351-F377 HydrophobicContact CG2-CG 4.07Å
352H74.6Confident66.8Low53 Ų5382.3 Ų82.325%0.24543%0.425CS..Hα-helixtrans-95.1-16.8-179.6-47.6112.5000113.4A348 V423A348-H352 WeakPolarHBondContact O-CB 3.49Å; A348-H352 PolarHBondContact O-N 3.41Å; A348-H352 PolarHBondContact O-ND1 3.04Å; H352-V423 HydrophobicContact CB-CB 4.24Å; H352-V423 HydrophobicContact CB-CG2 3.7Å
353G65.4Low64.6Low12 Ų1282 Ų8212%0.12444%0.439CS..  trans85.5130.3177.500000114.7S349S349-G353 CarbonylContact O-C 3.59Å; S349-G353 VanDerWaalsContact O-CA 3.29Å; S349-G353 WeakPolarHBondContact O-CA 3.42Å; S349-G353 PolarHBondContact O-N 3.05Å; S349-G353 VanDerWaalsContact O-N 3.12Å
354N56.5Low62.5Low106 Ų10688.9 Ų88.957%0.56747%0.471SS*.  trans-83.9110.6174.1-89.7-14000111.9S349 C356S349-N354 PolarHBondContact O-N 2.92Å; N354-C356 PolarHBondContact O-N 3.12Å
355R53.7Low60.4Low170 Ų17090.6 Ų90.664%0.64249%0.491SS*.  trans-91.981.8164.4-67.8-168.7-170.7-1530.9110.7E364R355-E364 IonicContact NH2-OE1 3.18Å; R355-E364 PolarHBondContact NH2-OE1 3.44Å; R355-E364 VanDerWaalsContact NH2-OE1 3.11Å
356C41.8Very low58.6Low108 Ų10894.9 Ų94.973%0.7351%0.513SS*.  trans-127.971.2175.9-66.20000113.5N354N354-C356 PolarHBondContact O-N 3.12Å
357M36.9Very low57.2Low158 Ų15894.3 Ų94.378%0.77852%0.522SS*.  trans-155.6119.4148.5-87.6-51-173.700109.1D359M357-D359 VanDerWaalsContact C-N 3.29Å; M357-D359 PolarHBondContact O-N 2.87Å
358P44Very low56.1Low141 Ų14199.7 Ų99.792%0.91656%0.555SS**THydrogen-bonded Turntrans-71.9-12.6-178.5-21.734.3000116.2
359D42.5Very low55.8Low153 Ų153100.5 Ų100.582%0.81856%0.558SS**THydrogen-bonded Turntrans-12833-163-162.629.6000114.4M357M357-D359 VanDerWaalsContact C-N 3.29Å; M357-D359 PolarHBondContact O-N 2.87Å
360R41.3Very low55.9Low225 Ų225102.2 Ų102.285%0.84957%0.568SS**  trans-139.6117164.3-76.2-168.4175174.5-1.2111.2G362R360-G362 VanDerWaalsContact C-N 3.26Å; R360-G362 PolarHBondContact O-N 3.49Å
361Q45.7Very low56.1Low215 Ų215105.3 Ų105.3100%1.00559%0.585SS**  trans-69.586.3163.6-73167.1-1300108.8
362G45.8Very low56.3Low55 Ų55109.9 Ų109.957%0.56761%0.606SS**  trans-117.8164.3168.400000110.5R360R360-G362 VanDerWaalsContact C-N 3.26Å; R360-G362 PolarHBondContact O-N 3.49Å
363P40.5Very low56.9Low129 Ų129107.5 Ų107.584%0.83860%0.595SS**  trans-60.8157.9-175-20.933.1000112.8
364E45.4Very low57.8Low145 Ų145112.1 Ų112.168%0.67861%0.611SS**  trans-51145.5-177.6-53.7-16097.200112.9R355 V366R355-E364 IonicContact NH2-OE1 3.18Å; R355-E364 PolarHBondContact NH2-OE1 3.44Å; R355-E364 VanDerWaalsContact NH2-OE1 3.11Å; E364-V366 WeakPolarHBondContact O-CG2 3.3Å; E364-V366 PolarHBondContact O-N 3.23Å
365G47.9Very low59.3Low42 Ų42112.7 Ų112.743%0.43361%0.61SS.*  trans-56.597.6-175.100000112.9G367G365-G367 PolarHBondContact O-N 3.2Å
366V48.7Very low61Low123 Ų123108.2 Ų108.275%0.74560%0.596SS**  trans-73.4118.9176.9-174.60000108.5E364 T368E364-V366 WeakPolarHBondContact O-CG2 3.3Å; E364-V366 PolarHBondContact O-N 3.23Å; V366-T368 PolarHBondContact O-N 3.45Å
367G57.6Low63.3Low38 Ų38103 Ų10339%0.39256%0.561SS.*  trans-60.5126.2171.200000110.3G365 V369G365-G367 PolarHBondContact O-N 3.2Å; G367-V369 PolarHBondContact O-N 3.19Å
368T66.3Low65.8Low113 Ų11399.4 Ų99.469%0.69354%0.542SS*.  trans-87.224.1-175.150.60000113.3V366V366-T368 PolarHBondContact O-N 3.45Å
369V78.1Confident68Low30 Ų3098.6 Ų98.618%0.18253%0.526CS..  trans-118.6141.2-164-177.50000109.9C315 H350 V351 G367 E373C315-V369 HydrophobicContact CB-CG1 4.45Å; C315-V369 HydrophobicContact CB-CG2 4.1Å; H350-V369 HydrophobicContact CB-CG2 3.65Å; H350-V369 WeakPolarHBondContact O-CG2 3.33Å; V351-V369 HydrophobicContact CG2-CG1 4.1Å; V351-V369 HydrophobicContact CG2-CG2 4.29Å; G367-V369 PolarHBondContact O-N 3.19Å; V369-E373 HydrophobicContact CG1-CB 3.38Å; V369-E373 HydrophobicContact CG1-CG 4.31Å; V369-E373 WeakPolarHBondContact CG1-OE2 3.28Å
370T83.4Confident70.4Confident60 Ų6091.8 Ų91.837%0.36849%0.489SS..  trans-74161.2177.2590000111.8E372 E373 K374T370-E372 VanDerWaalsContact C-N 3.28Å; T370-E372 PolarHBondContact O-N 3.11Å; T370-E373 PolarHBondContact N-OE2 3.41Å; T370-E373 PolarHBondContact O-N 3.14Å; T370-E373 WeakPolarHBondContact OG1-CG 3.3Å; T370-E373 PolarHBondContact OG1-N 3.02Å; T370-E373 PolarHBondContact OG1-OE2 3.05Å; T370-E373 VanDerWaalsContact OG1-OE2 3.05Å; T370-K374 WeakPolarHBondContact O-CB 3.44Å; T370-K374 PolarHBondContact O-N 2.88Å
371L83.5Confident72.7Confident120 Ų12082.1 Ų82.163%0.62845%0.454SS*.Hα-helixtrans-57-44.3176-178.361.7000111.5K374 E375L371-K374 WeakPolarHBondContact O-CB 3.39Å; L371-K374 PolarHBondContact O-N 3.27Å; L371-K374 VanDerWaalsContact O-N 3.15Å; L371-E375 HydrophobicContact CD1-CG 4.32Å; L371-E375 HydrophobicContact CG-CG 4.5Å; L371-E375 WeakPolarHBondContact O-CG 3.28Å; L371-E375 PolarHBondContact O-N 2.95Å
372E83.7Confident74.9Confident111 Ų11176.3 Ų76.352%0.51943%0.426SS..Hα-helixtrans-62.7-43.5179.8-169.9-169.815800113.1T370 K374 E375 K376T370-E372 VanDerWaalsContact C-N 3.28Å; T370-E372 PolarHBondContact O-N 3.11Å; E372-K374 VanDerWaalsContact C-N 3.31Å; E372-K374 PolarHBondContact O-N 3.48Å; E372-E375 PolarHBondContact O-N 2.97Å; E372-K376 HydrophobicContact CG-CD 4.26Å; E372-K376 WeakPolarHBondContact O-CB 3.39Å; E372-K376 VanDerWaalsContact O-CG 3.31Å; E372-K376 WeakPolarHBondContact O-CG 3.4Å; E372-K376 PolarHBondContact O-N 2.86Å; E372-K376 WeakPolarHBondContact OE1-CE 3.45Å; E372-K376 IonicContact OE1-NZ 3.6Å; E372-K376 PolarHBondContact OE1-NZ 3.3Å
373E85.6Confident77.2Confident4 Ų477.1 Ų77.12%0.01941%0.412CS..Hα-helixtrans-63.8-38.2173.3-75.9170.5132.500111.7R313 C315 F316 V369 T370 F377R313-E373 IonicContact CZ-OE1 2.68Å; R313-E373 IonicContact CZ-OE2 3.99Å; R313-E373 IonicContact NH1-OE1 2.99Å; R313-E373 PolarHBondContact NH1-OE1 3.13Å; R313-E373 IonicContact NH1-OE2 2.67Å; R313-E373 PolarHBondContact NH1-OE2 3.34Å; R313-E373 IonicContact NH2-OE1 2.67Å; R313-E373 PolarHBondContact NH2-OE1 3.19Å; R313-E373 IonicContact NH2-OE2 3.88Å; C315-E373 WeakPolarHBondContact CB-OE1 3.42Å; F316-E373 WeakPolarHBondContact CA-OE1 3.48Å; F316-E373 HydrophobicContact CB-CG 4.33Å; F316-E373 WeakPolarHBondContact CB-OE1 3.42Å; F316-E373 PolarHBondContact N-OE1 3.33Å; V369-E373 HydrophobicContact CG1-CB 3.38Å; V369-E373 HydrophobicContact CG1-CG 4.31Å; V369-E373 WeakPolarHBondContact CG1-OE2 3.28Å; T370-E373 PolarHBondContact N-OE2 3.41Å; T370-E373 PolarHBondContact O-N 3.14Å; T370-E373 WeakPolarHBondContact OG1-CG 3.3Å; T370-E373 PolarHBondContact OG1-N 3.02Å; T370-E373 PolarHBondContact OG1-OE2 3.05Å; T370-E373 VanDerWaalsContact OG1-OE2 3.05Å; E373-F377 VanDerWaalsContact O-CB 3.25Å; E373-F377 WeakPolarHBondContact O-CB 3.41Å; E373-F377 PolarHBondContact O-N 2.8Å
374K85.3Confident79.7Confident109 Ų10971 Ų7147%0.47437%0.373SS..Hα-helixtrans-66.7-42.3178.9-178.9176.3179.5179.80111.4V351 T370 L371 E372 F377 Q378V351-K374 HydrophobicContact CG1-CG 4.13Å; T370-K374 WeakPolarHBondContact O-CB 3.44Å; T370-K374 PolarHBondContact O-N 2.88Å; L371-K374 WeakPolarHBondContact O-CB 3.39Å; L371-K374 PolarHBondContact O-N 3.27Å; L371-K374 VanDerWaalsContact O-N 3.15Å; E372-K374 VanDerWaalsContact C-N 3.31Å; E372-K374 PolarHBondContact O-N 3.48Å; K374-F377 PolarHBondContact O-N 3.09Å; K374-Q378 WeakPolarHBondContact O-CG 3.35Å; K374-Q378 PolarHBondContact O-N 3.2Å; K374-Q378 VanDerWaalsContact O-N 3.15Å
375E88.4Confident81.9Confident117 Ų11767.4 Ų67.455%0.54735%0.353SS..Hα-helixtrans-65.2-51.1176-72.8172.6169.200111L371 E372 F377 Q378 E379L371-E375 HydrophobicContact CD1-CG 4.32Å; L371-E375 HydrophobicContact CG-CG 4.5Å; L371-E375 WeakPolarHBondContact O-CG 3.28Å; L371-E375 PolarHBondContact O-N 2.95Å; E372-E375 PolarHBondContact O-N 2.97Å; E375-F377 VanDerWaalsContact C-N 3.27Å; E375-F377 PolarHBondContact O-N 2.95Å; E375-Q378 PolarHBondContact O-N 3.42Å; E375-E379 PolarHBondContact O-N 2.67Å; E375-E379 VanDerWaalsContact O-N 3.08Å
376K88.4Confident84Confident76 Ų7669.3 Ų69.333%0.3336%0.356SS..Hα-helixtrans-56.5-38.5174.3-73.7173175174.70112.6V319 E372 E379 I380V319-K376 HydrophobicContact CG1-CB 3.76Å; E372-K376 HydrophobicContact CG-CD 4.26Å; E372-K376 WeakPolarHBondContact O-CB 3.39Å; E372-K376 VanDerWaalsContact O-CG 3.31Å; E372-K376 WeakPolarHBondContact O-CG 3.4Å; E372-K376 PolarHBondContact O-N 2.86Å; E372-K376 WeakPolarHBondContact OE1-CE 3.45Å; E372-K376 IonicContact OE1-NZ 3.6Å; E372-K376 PolarHBondContact OE1-NZ 3.3Å; K376-E379 PolarHBondContact O-N 3.32Å; K376-I380 WeakPolarHBondContact O-CB 3.4Å; K376-I380 VanDerWaalsContact O-CG1 3.29Å; K376-I380 WeakPolarHBondContact O-CG1 3.38Å; K376-I380 PolarHBondContact O-N 2.93Å
377F90Very high86Confident0 Ų064 Ų640%032%0.323CS..Hα-helixtrans-66.3-37.6175.8177.3-108000112.9V319 F344 C347 A348 V351 E373 K374 E375 K381V319-F377 HydrophobicContact CG2-CB 4.19Å; V319-F377 HydrophobicContact CG2-CD2 4.48Å; F344-F377 AromaticContact CD2-CE2 3.85Å; F344-F377 HydrophobicContact CD2-CE2 3.85Å; F344-F377 HydrophobicContact CD2-CZ 4.11Å; F344-F377 AromaticContact CE2-CE2 3.72Å; F344-F377 HydrophobicContact CE2-CE2 3.72Å; F344-F377 AromaticContact CE2-CZ 3.57Å; F344-F377 HydrophobicContact CE2-CZ 3.57Å; F344-F377 AromaticContact CZ-CZ 3.98Å; F344-F377 HydrophobicContact CZ-CZ 3.98Å; C347-F377 HydrophobicContact CB-CD2 3.46Å; C347-F377 VanDerWaalsContact CB-CD2 3.46Å; C347-F377 HydrophobicContact CB-CE2 3.35Å; C347-F377 HydrophobicContact CB-CG 4.36Å; C347-F377 HydrophobicContact CB-CZ 4.17Å; A348-F377 HydrophobicContact CB-CZ 4.01Å; V351-F377 HydrophobicContact CB-CD1 4.13Å; V351-F377 HydrophobicContact CB-CE1 4.34Å; V351-F377 HydrophobicContact CG1-CD1 4Å; V351-F377 HydrophobicContact CG1-CE1 4.35Å; V351-F377 HydrophobicContact CG2-CB 4.28Å; V351-F377 HydrophobicContact CG2-CD1 3.78Å; V351-F377 HydrophobicContact CG2-CE1 4.36Å; V351-F377 HydrophobicContact CG2-CG 4.07Å; E373-F377 VanDerWaalsContact O-CB 3.25Å; E373-F377 WeakPolarHBondContact O-CB 3.41Å; E373-F377 PolarHBondContact O-N 2.8Å; K374-F377 PolarHBondContact O-N 3.09Å; E375-F377 VanDerWaalsContact C-N 3.27Å; E375-F377 PolarHBondContact O-N 2.95Å; F377-K381 WeakPolarHBondContact O-CB 3.49Å; F377-K381 PolarHBondContact O-N 3.48Å
378Q89Confident87.6Confident82 Ų8262.4 Ų62.438%0.38331%0.306SS..Hα-helixtrans-69-38.3175.9-64.5-57-42.100112K374 E375 K381 E382K374-Q378 WeakPolarHBondContact O-CG 3.35Å; K374-Q378 PolarHBondContact O-N 3.2Å; K374-Q378 VanDerWaalsContact O-N 3.15Å; E375-Q378 PolarHBondContact O-N 3.42Å; Q378-K381 WeakPolarHBondContact O-CB 3.5Å; Q378-K381 PolarHBondContact O-N 3.17Å; Q378-E382 PolarHBondContact O-N 3.34Å; Q378-E382 VanDerWaalsContact O-N 3.1Å
379E90.7Very high88.8Confident124 Ų12458.4 Ų58.458%0.57928%0.279SS*.Hα-helixtrans-59.6-50.2173.4-175.1-173.1166.500111.4E375 K376 K381 E382 R383E375-E379 PolarHBondContact O-N 2.67Å; E375-E379 VanDerWaalsContact O-N 3.08Å; K376-E379 PolarHBondContact O-N 3.32Å; E379-K381 VanDerWaalsContact C-N 3.32Å; E379-K381 PolarHBondContact O-N 2.92Å; E379-E382 PolarHBondContact O-N 3.07Å; E379-R383 PolarHBondContact O-N 3.1Å
380I92.2Very high89.4Confident9 Ų962.8 Ų62.85%0.04630%0.296CS..Hα-helixtrans-64.9-35.4178.1-71.8171.9000111.9V319 L322 L326 K376 R383 L384V319-I380 HydrophobicContact CG1-CD1 3.7Å; V319-I380 WeakPolarHBondContact O-CD1 3.44Å; L322-I380 HydrophobicContact CB-CG2 3.67Å; L322-I380 HydrophobicContact CD1-CG2 4.3Å; L326-I380 HydrophobicContact CD1-CG2 3.87Å; K376-I380 WeakPolarHBondContact O-CB 3.4Å; K376-I380 VanDerWaalsContact O-CG1 3.29Å; K376-I380 WeakPolarHBondContact O-CG1 3.38Å; K376-I380 PolarHBondContact O-N 2.93Å; I380-R383 PolarHBondContact O-N 3.44Å; I380-L384 VanDerWaalsContact O-CB 3.24Å; I380-L384 WeakPolarHBondContact O-CB 3.44Å; I380-L384 PolarHBondContact O-N 2.99Å
381K91.2Very high89.7Confident23 Ų2361.7 Ų61.710%0.129%0.287CS..Hα-helixtrans-61.1-44175.2179.6-175.7-178.3-174.80111.3F344 F377 Q378 E379 L384 R385 V418 M420F344-K381 HydrophobicContact CE2-CB 4.28Å; F344-K381 HydrophobicContact CE2-CG 4.04Å; F344-K381 HydrophobicContact CZ-CG 4.29Å; F377-K381 WeakPolarHBondContact O-CB 3.49Å; F377-K381 PolarHBondContact O-N 3.48Å; Q378-K381 WeakPolarHBondContact O-CB 3.5Å; Q378-K381 PolarHBondContact O-N 3.17Å; E379-K381 VanDerWaalsContact C-N 3.32Å; E379-K381 PolarHBondContact O-N 2.92Å; K381-L384 PolarHBondContact O-N 3.46Å; K381-R385 WeakPolarHBondContact O-CB 3.34Å; K381-R385 PolarHBondContact O-N 2.98Å; K381-V418 WeakPolarHBondContact CE-O 3.47Å; K381-V418 HydrophobicContact CG-CG1 4.15Å; K381-M420 PolarHBondContact NZ-O 3.36Å
382E91.5Very high89.9Confident92 Ų9256.1 Ų56.143%0.4326%0.257SS..Hα-helixtrans-72.4-40.1177.6-167.860.1-158.300112Q378 E379 L384 R385 V386Q378-E382 PolarHBondContact O-N 3.34Å; Q378-E382 VanDerWaalsContact O-N 3.1Å; E379-E382 PolarHBondContact O-N 3.07Å; E382-L384 VanDerWaalsContact C-N 3.32Å; E382-L384 PolarHBondContact O-N 3.5Å; E382-R385 WeakPolarHBondContact O-CB 3.28Å; E382-R385 PolarHBondContact O-N 2.9Å; E382-R385 IonicContact OE1-CZ 3.18Å; E382-R385 IonicContact OE1-NH1 3.11Å; E382-R385 PolarHBondContact OE1-NH1 3.2Å; E382-R385 IonicContact OE2-NH1 3.45Å; E382-V386 WeakPolarHBondContact O-CG2 3.38Å; E382-V386 PolarHBondContact O-N 2.76Å
383R93.4Very high90.3Very high72 Ų7251.6 Ų51.627%0.27224%0.237SC..Hα-helixtrans-56.6-46.1171-74.5-174.565.5-166-1.8111.7L326 D327 D330 E379 I380 V386 L387L326-R383 HydrophobicContact CD1-CB 3.84Å; D327-R383 IonicContact OD1-CZ 2.69Å; D327-R383 VanDerWaalsContact OD1-CZ 3.27Å; D327-R383 IonicContact OD1-NH1 3.84Å; D327-R383 PolarHBondContact OD1-NH1 2.93Å; D327-R383 IonicContact OD1-NH2 2.8Å; D327-R383 PolarHBondContact OD1-NH2 3.38Å; D330-R383 IonicContact OD2-CZ 3.74Å; D330-R383 IonicContact OD2-NE 3.46Å; D330-R383 IonicContact OD2-NH2 3.62Å; D330-R383 PolarHBondContact OD2-NH2 3Å; E379-R383 PolarHBondContact O-N 3.1Å; I380-R383 PolarHBondContact O-N 3.44Å; R383-V386 PolarHBondContact O-N 2.85Å; R383-L387 PolarHBondContact O-N 3.14Å
384L92.5Very high90.5Very high1 Ų153.4 Ų53.41%0.00525%0.247CC..Hα-helixtrans-62.5-42.2176.4175.858.8000111.5L326 I340 F344 I380 K381 E382 V386 L387 L388 L414 V418L326-L384 HydrophobicContact CD1-CB 4.19Å; L326-L384 HydrophobicContact CD2-CB 4.19Å; L326-L384 HydrophobicContact CD2-CD1 3.95Å; I340-L384 HydrophobicContact CG2-CD1 3.65Å; I340-L384 HydrophobicContact CG2-CD2 4Å; F344-L384 HydrophobicContact CB-CD2 4.34Å; F344-L384 HydrophobicContact CD2-CD2 3.62Å; F344-L384 HydrophobicContact CE2-CD2 4.2Å; F344-L384 HydrophobicContact CG-CD2 4.04Å; I380-L384 VanDerWaalsContact O-CB 3.24Å; I380-L384 WeakPolarHBondContact O-CB 3.44Å; I380-L384 PolarHBondContact O-N 2.99Å; K381-L384 PolarHBondContact O-N 3.46Å; E382-L384 VanDerWaalsContact C-N 3.32Å; E382-L384 PolarHBondContact O-N 3.5Å; L384-V386 PolarHBondContact O-N 2.89Å; L384-L387 PolarHBondContact O-N 3.46Å; L384-L388 HydrophobicContact CD1-CD1 3.92Å; L384-L388 HydrophobicContact CD1-CD2 4.29Å; L384-L388 HydrophobicContact CD1-CG 3.9Å; L384-L388 HydrophobicContact CG-CD1 3.87Å; L384-L388 HydrophobicContact CG-CG 4.31Å; L384-L388 VanDerWaalsContact O-CG 3.23Å; L384-L388 WeakPolarHBondContact O-CG 3.47Å; L384-L388 PolarHBondContact O-N 3.31Å; L384-L414 HydrophobicContact CD1-CD2 4.41Å; L384-V418 HydrophobicContact CD2-CG2 3.64Å; L384-V418 HydrophobicContact CG-CG2 4Å
385R91.9Very high90.6Very high69 Ų6948.3 Ų48.326%0.2623%0.225SC..Hα-helixtrans-55.8-51.1175.5-175.4-174155.8-121.2-14.7111.4K381 E382 L387 L388 E389 L415 V418K381-R385 WeakPolarHBondContact O-CB 3.34Å; K381-R385 PolarHBondContact O-N 2.98Å; E382-R385 WeakPolarHBondContact O-CB 3.28Å; E382-R385 PolarHBondContact O-N 2.9Å; E382-R385 IonicContact OE1-CZ 3.18Å; E382-R385 IonicContact OE1-NH1 3.11Å; E382-R385 PolarHBondContact OE1-NH1 3.2Å; E382-R385 IonicContact OE2-NH1 3.45Å; R385-L387 VanDerWaalsContact C-N 3.33Å; R385-L387 PolarHBondContact O-N 3.11Å; R385-L388 PolarHBondContact O-N 3.36Å; R385-E389 IonicContact CZ-OE1 3.85Å; R385-E389 IonicContact NE-OE1 3.84Å; R385-E389 PolarHBondContact NE-OE1 3.47Å; R385-E389 IonicContact NH2-OE1 3.04Å; R385-E389 PolarHBondContact NH2-OE1 3.05Å; R385-E389 IonicContact NH2-OE2 3.84Å; R385-E389 PolarHBondContact NH2-OE2 2.96Å; R385-E389 WeakPolarHBondContact O-CG 3.44Å; R385-E389 PolarHBondContact O-N 3.44Å; R385-L415 HydrophobicContact CG-CD1 4.44Å; R385-V418 HydrophobicContact CB-CG1 3.71Å; R385-V418 HydrophobicContact CG-CG1 4.3Å
386V92.3Very high90.5Very high83 Ų8344.8 Ų44.850%0.50321%0.207SC..Hα-helixtrans-61.8-39.7179.2174.80000111.6E382 R383 L384 K390E382-V386 WeakPolarHBondContact O-CG2 3.38Å; E382-V386 PolarHBondContact O-N 2.76Å; R383-V386 PolarHBondContact O-N 2.85Å; L384-V386 PolarHBondContact O-N 2.89Å; V386-K390 WeakPolarHBondContact O-CB 3.34Å; V386-K390 PolarHBondContact O-N 3.23Å
387L90.4Very high90.2Very high11 Ų1145.4 Ų45.46%0.05821%0.207CC..Hα-helixtrans-62.9-43.2175.1-179.566000112.1L326 A329 R383 L384 R385 K390 Q391L326-L387 HydrophobicContact CD2-CB 4.48Å; L326-L387 HydrophobicContact CD2-CD2 3.44Å; L326-L387 VanDerWaalsContact CD2-CD2 3.44Å; A329-L387 HydrophobicContact CB-CD1 4.33Å; A329-L387 HydrophobicContact CB-CD2 3.65Å; R383-L387 PolarHBondContact O-N 3.14Å; L384-L387 PolarHBondContact O-N 3.46Å; R385-L387 VanDerWaalsContact C-N 3.33Å; R385-L387 PolarHBondContact O-N 3.11Å; L387-K390 PolarHBondContact O-N 3.49Å; L387-Q391 WeakPolarHBondContact O-CG 3.43Å; L387-Q391 PolarHBondContact O-N 2.9Å
388L91.2Very high89.9Confident4 Ų447.4 Ų47.42%0.02122%0.221CC..Hα-helixtrans-67.1-42.8179.1-66.1168.1000111.6L384 R385 K390 Q391 I392 T411 L414 L415 V418L384-L388 HydrophobicContact CD1-CD1 3.92Å; L384-L388 HydrophobicContact CD1-CD2 4.29Å; L384-L388 HydrophobicContact CD1-CG 3.9Å; L384-L388 HydrophobicContact CG-CD1 3.87Å; L384-L388 HydrophobicContact CG-CG 4.31Å; L384-L388 VanDerWaalsContact O-CG 3.23Å; L384-L388 WeakPolarHBondContact O-CG 3.47Å; L384-L388 PolarHBondContact O-N 3.31Å; R385-L388 PolarHBondContact O-N 3.36Å; L388-K390 VanDerWaalsContact C-N 3.34Å; L388-K390 PolarHBondContact O-N 3.31Å; L388-Q391 PolarHBondContact O-N 2.9Å; L388-I392 WeakPolarHBondContact O-CD1 3.18Å; L388-I392 VanDerWaalsContact O-CG1 3.28Å; L388-I392 WeakPolarHBondContact O-CG1 3.43Å; L388-I392 PolarHBondContact O-N 3.04Å; L388-T411 HydrophobicContact CD2-CG2 3.67Å; L388-L414 HydrophobicContact CD1-CB 4.5Å; L388-L414 HydrophobicContact CD1-CD2 4.27Å; L388-L414 HydrophobicContact CD1-CG 3.91Å; L388-L414 HydrophobicContact CD2-CD2 4.05Å; L388-L414 HydrophobicContact CD2-CG 4.38Å; L388-L415 HydrophobicContact CB-CD1 4.27Å; L388-L415 HydrophobicContact CD1-CB 4.33Å; L388-L415 HydrophobicContact CD1-CD1 4.49Å; L388-V418 HydrophobicContact CD1-CB 4.38Å; L388-V418 HydrophobicContact CD1-CG2 3.89Å
389E92.3Very high89.6Confident30 Ų3043.8 Ų43.814%0.1420%0.204CC..Hα-helixtrans-57.7-47.5173.2-71.5179.2-16800110.4R385 Q391 I392 T393 V435R385-E389 IonicContact CZ-OE1 3.85Å; R385-E389 IonicContact NE-OE1 3.84Å; R385-E389 PolarHBondContact NE-OE1 3.47Å; R385-E389 IonicContact NH2-OE1 3.04Å; R385-E389 PolarHBondContact NH2-OE1 3.05Å; R385-E389 IonicContact NH2-OE2 3.84Å; R385-E389 PolarHBondContact NH2-OE2 2.96Å; R385-E389 WeakPolarHBondContact O-CG 3.44Å; R385-E389 PolarHBondContact O-N 3.44Å; E389-Q391 PolarHBondContact O-N 3.17Å; E389-I392 PolarHBondContact O-N 3.13Å; E389-T393 PolarHBondContact O-N 3.16Å; E389-T393 PolarHBondContact O-OG1 2.96Å; E389-T393 VanDerWaalsContact O-OG1 3.07Å; E389-V435 HydrophobicContact CG-CG1 3.83Å; E389-V435 VanDerWaalsContact OE1-CG1 3.27Å; E389-V435 WeakPolarHBondContact OE1-CG1 3.23Å
390K90.6Very high89.1Confident121 Ų12140.7 Ų40.753%0.52619%0.194SC..Hα-helixtrans-59.4-41.1174.7-177.8-177.5175.9-171.80113.2V386 L387 L388 N394V386-K390 WeakPolarHBondContact O-CB 3.34Å; V386-K390 PolarHBondContact O-N 3.23Å; L387-K390 PolarHBondContact O-N 3.49Å; L388-K390 VanDerWaalsContact C-N 3.34Å; L388-K390 PolarHBondContact O-N 3.31Å; K390-N394 WeakPolarHBondContact O-CB 3.39Å; K390-N394 PolarHBondContact O-N 2.97Å; K390-N394 PolarHBondContact O-ND2 3.42Å
391Q88.7Confident88.3Confident38 Ų3846.2 Ų46.218%0.17822%0.219CC..Hα-helixtrans-67.7-37.1177.4-76178.22.800112.6L387 L388 E389 N394 F395 C398 F399 T411L387-Q391 WeakPolarHBondContact O-CG 3.43Å; L387-Q391 PolarHBondContact O-N 2.9Å; L388-Q391 PolarHBondContact O-N 2.9Å; E389-Q391 PolarHBondContact O-N 3.17Å; Q391-N394 CarbonylContact O-C 3.14Å; Q391-N394 PolarHBondContact O-N 3.02Å; Q391-F395 WeakPolarHBondContact O-CA 3.33Å; Q391-F395 PolarHBondContact O-N 2.96Å; Q391-F395 VanDerWaalsContact O-N 3.16Å; Q391-C398 HydrophobicContact CB-CB 4.46Å; Q391-F399 HydrophobicContact CB-CE2 4.41Å; Q391-F399 HydrophobicContact CB-CZ 4.43Å; Q391-T411 HydrophobicContact CB-CG2 4.42Å
392I89.4Confident87.1Confident3 Ų345.3 Ų45.32%0.01522%0.216CC..Hα-helixtrans-71.5-42.1176-65.5159.6000110.2L388 E389 N394 F395 T411 L412 L415 C439L388-I392 WeakPolarHBondContact O-CD1 3.18Å; L388-I392 VanDerWaalsContact O-CG1 3.28Å; L388-I392 WeakPolarHBondContact O-CG1 3.43Å; L388-I392 PolarHBondContact O-N 3.04Å; E389-I392 PolarHBondContact O-N 3.13Å; I392-N394 PolarHBondContact O-N 2.89Å; I392-F395 WeakPolarHBondContact O-CB 3.46Å; I392-F395 WeakPolarHBondContact O-CD1 3.39Å; I392-F395 PolarHBondContact O-N 3.34Å; I392-T411 HydrophobicContact CG1-CG2 4.19Å; I392-L412 HydrophobicContact CD1-CD2 3.79Å; I392-L412 HydrophobicContact CG1-CD2 4.14Å; I392-L415 HydrophobicContact CD1-CB 4.44Å; I392-L415 HydrophobicContact CD1-CD2 3.53Å; I392-C439 HydrophobicContact CB-CB 4.17Å; I392-C439 HydrophobicContact CG2-CB 3.67Å
393T91.9Very high86.2Confident16 Ų1649.7 Ų49.710%0.09823%0.228CC..Hα-helixtrans-59.6-32.5173.2-60.10000112.3E389 C439 D442 A443 V446E389-T393 PolarHBondContact O-N 3.16Å; E389-T393 PolarHBondContact O-OG1 2.96Å; E389-T393 VanDerWaalsContact O-OG1 3.07Å; T393-C439 WeakPolarHBondContact CA-O 3.41Å; T393-C439 PolarHBondContact OG1-O 3.08Å; T393-D442 HydrophobicContact CG2-CB 3.81Å; T393-A443 HydrophobicContact CG2-CB 4.46Å; T393-A443 WeakPolarHBondContact O-CB 3.34Å; T393-V446 HydrophobicContact CG2-CG2 4.25Å
394N89.2Confident85.1Confident41 Ų4150.3 Ų50.322%0.21924%0.241CC..THydrogen-bonded Turntrans-104.730.4179.7-67.3-92.8000112.8K390 Q391 I392 R396 Y397 C398K390-N394 WeakPolarHBondContact O-CB 3.39Å; K390-N394 PolarHBondContact O-N 2.97Å; K390-N394 PolarHBondContact O-ND2 3.42Å; Q391-N394 CarbonylContact O-C 3.14Å; Q391-N394 PolarHBondContact O-N 3.02Å; I392-N394 PolarHBondContact O-N 2.89Å; N394-R396 VanDerWaalsContact C-N 3.29Å; N394-R396 PolarHBondContact O-N 3.45Å; N394-R396 VanDerWaalsContact O-N 3.12Å; N394-Y397 PolarHBondContact O-N 3.44Å; N394-C398 PolarHBondContact O-N 3Å
395F87.6Confident84.2Confident3 Ų359.2 Ų59.21%0.01328%0.283CS..Hα-helixtrans-54.1-38.4-167.969.2-88.7000114.6Q391 I392 Y397 F399 L408 L440 A443 H492Q391-F395 WeakPolarHBondContact O-CA 3.33Å; Q391-F395 PolarHBondContact O-N 2.96Å; Q391-F395 VanDerWaalsContact O-N 3.16Å; I392-F395 WeakPolarHBondContact O-CB 3.46Å; I392-F395 WeakPolarHBondContact O-CD1 3.39Å; I392-F395 PolarHBondContact O-N 3.34Å; F395-Y397 PolarHBondContact O-N 3.12Å; F395-F399 HydrophobicContact CB-CD2 4.31Å; F395-F399 WeakPolarHBondContact O-CB 2.98Å; F395-F399 PolarHBondContact O-N 3.15Å; F395-L408 HydrophobicContact CB-CD1 4.24Å; F395-L408 HydrophobicContact CB-CD2 4.44Å; F395-L440 HydrophobicContact CE1-CD2 4.35Å; F395-A443 HydrophobicContact CD1-CB 4.38Å; F395-A443 HydrophobicContact CE1-CB 4.14Å; F395-H492 HydrophobicContact CD2-CB 4.27Å; F395-H492 AromaticContact CD2-CD2 3.86Å; F395-H492 AromaticContact CD2-CE1 3.77Å; F395-H492 AromaticContact CD2-CG 3.69Å; F395-H492 AromaticContact CD2-ND1 3.66Å; F395-H492 AromaticContact CD2-NE2 3.9Å; F395-H492 HydrophobicContact CE2-CB 4.09Å; F395-H492 AromaticContact CE2-CD2 3.7Å; F395-H492 AromaticContact CE2-CG 3.75Å
396R85.6Confident83.4Confident43 Ų4357.4 Ų57.416%0.16229%0.286CS..Hα-helixtrans-58.4-32.9175.3-73.3-179.764.285.9-2.6113.3N394 P400 L484 E487 N488N394-R396 VanDerWaalsContact C-N 3.29Å; N394-R396 PolarHBondContact O-N 3.45Å; N394-R396 VanDerWaalsContact O-N 3.12Å; R396-P400 WeakPolarHBondContact O-CA 3.4Å; R396-L484 PolarHBondContact NH1-O 2.78Å; R396-L484 VanDerWaalsContact NH1-O 3.12Å; R396-E487 IonicContact CZ-OE2 2.71Å; R396-E487 IonicContact NH1-OE2 3.58Å; R396-E487 PolarHBondContact NH1-OE2 3.33Å; R396-E487 IonicContact NH2-OE2 3.62Å; R396-E487 PolarHBondContact NH2-OE2 3.14Å; R396-N488 WeakPolarHBondContact CD-OD1 3.4Å; R396-N488 VanDerWaalsContact CG-OD1 3.31Å; R396-N488 WeakPolarHBondContact CG-OD1 3.32Å; R396-N488 PolarHBondContact NH1-OD1 3.49Å
397Y83.3Confident82.8Confident88 Ų8854.1 Ų54.135%0.34527%0.267SS..Hα-helixtrans-96-34.4-175.8-58.4-74.1000112.7N394 F395 R450N394-Y397 PolarHBondContact O-N 3.44Å; F395-Y397 PolarHBondContact O-N 3.12Å; Y397-R450 VanDerWaalsContact CE1-CZ 3.49Å; Y397-R450 WeakPolarHBondContact OH-CD 3.48Å
398C83.1Confident82.6Confident42 Ų4253.7 Ų53.728%0.28427%0.265SS..Hα-helixtrans-76.1-26.1175.4-66.30000112.6Q391 N394Q391-C398 HydrophobicContact CB-CB 4.46Å; N394-C398 PolarHBondContact O-N 3Å
399F83.7Confident82.2Confident7 Ų758.6 Ų58.63%0.03129%0.286CS..SBendtrans-133.756.4-177-47.9-72.6000112.3Q391 F395 F401 G402 R403 A407 L408 T411 H492Q391-F399 HydrophobicContact CB-CE2 4.41Å; Q391-F399 HydrophobicContact CB-CZ 4.43Å; F395-F399 HydrophobicContact CB-CD2 4.31Å; F395-F399 WeakPolarHBondContact O-CB 2.98Å; F395-F399 PolarHBondContact O-N 3.15Å; F399-F401 PolarHBondContact O-N 3.31Å; F399-G402 PolarHBondContact O-N 2.86Å; F399-R403 CarbonylContact C-O 3.5Å; F399-R403 WeakPolarHBondContact CA-O 3.41Å; F399-A407 HydrophobicContact CD1-CB 3.73Å; F399-A407 HydrophobicContact CE1-CB 3.92Å; F399-L408 HydrophobicContact CB-CB 4.39Å; F399-L408 HydrophobicContact CD1-CB 4.42Å; F399-L408 HydrophobicContact CD2-CB 3.97Å; F399-L408 HydrophobicContact CD2-CD1 3.77Å; F399-L408 HydrophobicContact CD2-CG 4.34Å; F399-L408 HydrophobicContact CE2-CB 4.42Å; F399-L408 HydrophobicContact CE2-CD1 3.78Å; F399-L408 HydrophobicContact CG-CB 3.99Å; F399-T411 HydrophobicContact CZ-CG2 4.02Å; F399-T411 VanDerWaalsContact CZ-OG1 3.31Å; F399-T411 WeakPolarHBondContact CZ-OG1 3.3Å; F399-H492 PolarHBondContact O-CE1 2.91Å
400P78.9Confident81.8Confident58 Ų5858.8 Ų58.838%0.37730%0.296SS..G310 helixtrans-57.7128.2-170.325.6-35.5000112.2R396 G402 R403R396-P400 WeakPolarHBondContact O-CA 3.4Å; P400-G402 PolarHBondContact O-N 3.09Å; P400-R403 WeakPolarHBondContact O-CB 3.41Å; P400-R403 PolarHBondContact O-N 3.45Å
401F76.4Confident81.7Confident126 Ų12653 Ų5355%0.55327%0.271SS*.G310 helixtrans52.535.4-175.7-52.7-73.1000113.4F399 R403 H491F399-F401 PolarHBondContact O-N 3.31Å; F401-R403 VanDerWaalsContact C-N 3.25Å; F401-R403 PolarHBondContact O-N 2.95Å; F401-H491 AromaticContact CD1-CD2 3.83Å; F401-H491 AromaticContact CD1-NE2 3.83Å
402G65.9Low81.6Confident4 Ų451.2 Ų51.24%0.04126%0.263CS..G310 helixtrans6819.3-177.700000114.4F399 P400 P404 E405 Q495F399-G402 PolarHBondContact O-N 2.86Å; P400-G402 PolarHBondContact O-N 3.09Å; G402-P404 CarbonylContact O-C 3.59Å; G402-P404 VanDerWaalsContact O-O 3.09Å; G402-E405 WeakPolarHBondContact O-CA 3.43Å; G402-Q495 PolarHBondContact O-NE2 3.13Å
403R71.4Confident81.4Confident184 Ų18452.2 Ų52.269%0.69427%0.274SS*.PPolyproline II helixtrans-103.2139.1-178.7-59-174.6-179.8-173.91.1112.1F399 P400 F401F399-R403 CarbonylContact C-O 3.5Å; F399-R403 WeakPolarHBondContact CA-O 3.41Å; P400-R403 WeakPolarHBondContact O-CB 3.41Å; P400-R403 PolarHBondContact O-N 3.45Å; F401-R403 VanDerWaalsContact C-N 3.25Å; F401-R403 PolarHBondContact O-N 2.95Å
404P70.1Confident81.2Confident84 Ų8451.5 Ų51.555%0.54527%0.27SS..SBendcis-63.1148.4-7.7-18.831.7000112.5G402 G406 A407G402-P404 CarbonylContact O-C 3.59Å; G402-P404 VanDerWaalsContact O-O 3.09Å; P404-G406 PolarHBondContact O-N 3.22Å; P404-A407 HydrophobicContact CB-CB 4.14Å; P404-A407 HydrophobicContact CG-CB 4.32Å; P404-A407 WeakPolarHBondContact O-CB 3.35Å; P404-A407 PolarHBondContact O-N 2.99Å
405E74.5Confident81.3Confident188 Ų18849.6 Ų49.688%0.87926%0.259SS*.THydrogen-bonded Turntrans-57125-175.5-169.3-176.1155.700111.2G402 A407G402-E405 WeakPolarHBondContact O-CA 3.43Å; E405-A407 PolarHBondContact O-N 3.42Å
406G75.7Confident81.3Confident32 Ų3253 Ų5333%0.3328%0.275SS..THydrogen-bonded Turntrans73.93.1-177.500000115.7P404 L408 K409 G410P404-G406 PolarHBondContact O-N 3.22Å; G406-L408 PolarHBondContact O-N 2.97Å; G406-K409 PolarHBondContact O-N 2.93Å; G406-G410 PolarHBondContact O-N 2.94Å
407A79.7Confident81.3Confident13 Ų1356.1 Ų56.111%0.10729%0.287CS..Hα-helixtrans-62.1-42.8178.800000112.3F399 P404 E405 K409 G410 T411F399-A407 HydrophobicContact CD1-CB 3.73Å; F399-A407 HydrophobicContact CE1-CB 3.92Å; P404-A407 HydrophobicContact CB-CB 4.14Å; P404-A407 HydrophobicContact CG-CB 4.32Å; P404-A407 WeakPolarHBondContact O-CB 3.35Å; P404-A407 PolarHBondContact O-N 2.99Å; E405-A407 PolarHBondContact O-N 3.42Å; A407-K409 VanDerWaalsContact C-N 3.35Å; A407-K409 PolarHBondContact O-N 2.77Å; A407-G410 CarbonylContact O-C 3.59Å; A407-G410 WeakPolarHBondContact O-CA 3.47Å; A407-G410 PolarHBondContact O-N 2.76Å; A407-G410 VanDerWaalsContact O-N 3.1Å; A407-T411 PolarHBondContact O-N 3.4Å; A407-T411 PolarHBondContact O-OG1 3.36Å; A407-T411 VanDerWaalsContact O-OG1 3.09Å
408L84.5Confident81.5Confident3 Ų352 Ų522%0.01627%0.271CS..Hα-helixtrans-60.7-42.8175.6176.856.2000111.6F395 F399 G406 G410 T411 L412 H492 L496F395-L408 HydrophobicContact CB-CD1 4.24Å; F395-L408 HydrophobicContact CB-CD2 4.44Å; F399-L408 HydrophobicContact CB-CB 4.39Å; F399-L408 HydrophobicContact CD1-CB 4.42Å; F399-L408 HydrophobicContact CD2-CB 3.97Å; F399-L408 HydrophobicContact CD2-CD1 3.77Å; F399-L408 HydrophobicContact CD2-CG 4.34Å; F399-L408 HydrophobicContact CE2-CB 4.42Å; F399-L408 HydrophobicContact CE2-CD1 3.78Å; F399-L408 HydrophobicContact CG-CB 3.99Å; G406-L408 PolarHBondContact O-N 2.97Å; L408-G410 VanDerWaalsContact C-N 3.33Å; L408-G410 PolarHBondContact O-N 2.66Å; L408-T411 PolarHBondContact O-N 2.97Å; L408-L412 HydrophobicContact CD1-CG 4.48Å; L408-L412 WeakPolarHBondContact O-CG 3.23Å; L408-L412 PolarHBondContact O-N 3.48Å; L408-H492 HydrophobicContact CD2-CB 4.36Å; L408-L496 HydrophobicContact CD2-CD2 3.71Å; L408-L496 HydrophobicContact CD2-CG 4.08Å; L408-L496 HydrophobicContact CG-CD2 4Å
409K84.6Confident81.7Confident106 Ų10651.6 Ų51.646%0.46127%0.266SS..Hα-helixtrans-62.3-38.7173.1173.2168174.5170.40112.2G406 A407 G413 G498 A499G406-K409 PolarHBondContact O-N 2.93Å; A407-K409 VanDerWaalsContact C-N 3.35Å; A407-K409 PolarHBondContact O-N 2.77Å; K409-G413 PolarHBondContact O-N 2.65Å; K409-G498 VanDerWaalsContact CE-O 3.31Å; K409-G498 WeakPolarHBondContact CE-O 3.46Å; K409-G498 PolarHBondContact NZ-O 3.5Å; K409-A499 HydrophobicContact CB-CB 4.22Å; K409-A499 HydrophobicContact CD-CB 4.29Å; K409-A499 HydrophobicContact CG-CB 3.9Å
410G83.3Confident81.7Confident34 Ų3453.4 Ų53.435%0.35128%0.275SS..Hα-helixtrans-63.9-43.7173.100000113G406 A407 L408 G413 L414G406-G410 PolarHBondContact O-N 2.94Å; A407-G410 CarbonylContact O-C 3.59Å; A407-G410 WeakPolarHBondContact O-CA 3.47Å; A407-G410 PolarHBondContact O-N 2.76Å; A407-G410 VanDerWaalsContact O-N 3.1Å; L408-G410 VanDerWaalsContact C-N 3.33Å; L408-G410 PolarHBondContact O-N 2.66Å; G410-G413 PolarHBondContact O-N 2.97Å; G410-L414 WeakPolarHBondContact O-CB 3.27Å; G410-L414 PolarHBondContact O-N 2.61Å
411T87.4Confident81.4Confident0 Ų058 Ų580%029%0.289CS..Hα-helixtrans-61.5-43.5175.7-63.40000111.6L388 Q391 I392 F399 A407 L408 L414 L415L388-T411 HydrophobicContact CD2-CG2 3.67Å; Q391-T411 HydrophobicContact CB-CG2 4.42Å; I392-T411 HydrophobicContact CG1-CG2 4.19Å; F399-T411 HydrophobicContact CZ-CG2 4.02Å; F399-T411 VanDerWaalsContact CZ-OG1 3.31Å; F399-T411 WeakPolarHBondContact CZ-OG1 3.3Å; A407-T411 PolarHBondContact O-N 3.4Å; A407-T411 PolarHBondContact O-OG1 3.36Å; A407-T411 VanDerWaalsContact O-OG1 3.09Å; L408-T411 PolarHBondContact O-N 2.97Å; T411-L414 PolarHBondContact O-N 3.38Å; T411-L415 PolarHBondContact O-N 3.09Å
412L87.1Confident80.9Confident1 Ų154.8 Ų54.81%0.00528%0.277CS..Hα-helixtrans-63.4-44.9174.6-73.2173.6000112.7I392 L408 L414 L415 E416 I436 L496 A499 F500 F503I392-L412 HydrophobicContact CD1-CD2 3.79Å; I392-L412 HydrophobicContact CG1-CD2 4.14Å; L408-L412 HydrophobicContact CD1-CG 4.48Å; L408-L412 WeakPolarHBondContact O-CG 3.23Å; L408-L412 PolarHBondContact O-N 3.48Å; L412-L414 VanDerWaalsContact C-N 3.28Å; L412-L414 PolarHBondContact O-N 3.29Å; L412-L415 PolarHBondContact O-N 2.98Å; L412-E416 PolarHBondContact O-N 3.37Å; L412-E416 VanDerWaalsContact O-N 3.13Å; L412-I436 HydrophobicContact CD2-CD1 3.72Å; L412-I436 HydrophobicContact CD2-CG1 4.02Å; L412-L496 HydrophobicContact CD1-CD2 3.57Å; L412-A499 HydrophobicContact CD1-CB 3.94Å; L412-F500 HydrophobicContact CB-CE2 4.06Å; L412-F503 HydrophobicContact CD1-CD2 4.4Å; L412-F503 HydrophobicContact CD1-CE2 3.76Å; L412-F503 HydrophobicContact CD1-CZ 4.37Å; L412-F503 HydrophobicContact CD2-CE2 3.99Å
413G86Confident80.7Confident23 Ų2357.5 Ų57.524%0.23729%0.293CS..Hα-helixtrans-68.5-24.4175.300000113.9K409 G410 R417K409-G413 PolarHBondContact O-N 2.65Å; G410-G413 PolarHBondContact O-N 2.97Å; G413-R417 WeakPolarHBondContact O-CG 3.37Å
414L88.1Confident80Confident2 Ų254 Ų541%0.0129%0.292CS..Hα-helixtrans-74.8-41.8169.9-18055.4000111.2I340 H341 F344 L384 L388 G410 T411 L412 E416 R417 V418I340-L414 HydrophobicContact CB-CD2 4.36Å; I340-L414 HydrophobicContact CG2-CD2 3.9Å; H341-L414 HydrophobicContact CB-CD1 4.15Å; H341-L414 HydrophobicContact CB-CD2 4.23Å; F344-L414 HydrophobicContact CB-CD1 4.29Å; F344-L414 HydrophobicContact CD1-CD1 3.95Å; F344-L414 HydrophobicContact CG-CD1 4.24Å; L384-L414 HydrophobicContact CD1-CD2 4.41Å; L388-L414 HydrophobicContact CD1-CB 4.5Å; L388-L414 HydrophobicContact CD1-CD2 4.27Å; L388-L414 HydrophobicContact CD1-CG 3.91Å; L388-L414 HydrophobicContact CD2-CD2 4.05Å; L388-L414 HydrophobicContact CD2-CG 4.38Å; G410-L414 WeakPolarHBondContact O-CB 3.27Å; G410-L414 PolarHBondContact O-N 2.61Å; T411-L414 PolarHBondContact O-N 3.38Å; L412-L414 VanDerWaalsContact C-N 3.28Å; L412-L414 PolarHBondContact O-N 3.29Å; L414-E416 VanDerWaalsContact C-N 3.34Å; L414-E416 PolarHBondContact O-N 2.84Å; L414-R417 PolarHBondContact O-N 3.26Å; L414-R417 VanDerWaalsContact O-N 3.12Å; L414-V418 HydrophobicContact CD1-CG2 4.09Å; L414-V418 HydrophobicContact CG-CG2 4.29Å; L414-V418 WeakPolarHBondContact O-CG2 3.31Å; L414-V418 PolarHBondContact O-N 2.87Å
415L89.8Confident79.9Confident0 Ų053 Ų530%029%0.287CS..Hα-helixtrans-57.6-45.9175.9177.965.1000111.6R385 L388 I392 T411 L412 R417 V418 L419 V435 I436R385-L415 HydrophobicContact CG-CD1 4.44Å; L388-L415 HydrophobicContact CB-CD1 4.27Å; L388-L415 HydrophobicContact CD1-CB 4.33Å; L388-L415 HydrophobicContact CD1-CD1 4.49Å; I392-L415 HydrophobicContact CD1-CB 4.44Å; I392-L415 HydrophobicContact CD1-CD2 3.53Å; T411-L415 PolarHBondContact O-N 3.09Å; L412-L415 PolarHBondContact O-N 2.98Å; L415-R417 VanDerWaalsContact C-N 3.28Å; L415-R417 PolarHBondContact O-N 3.37Å; L415-V418 PolarHBondContact O-N 2.93Å; L415-V418 VanDerWaalsContact O-N 3.1Å; L415-L419 HydrophobicContact CD1-CD1 4.22Å; L415-L419 HydrophobicContact CD1-CG 4.22Å; L415-L419 HydrophobicContact CG-CD1 4.06Å; L415-L419 HydrophobicContact CG-CG 4.46Å; L415-L419 WeakPolarHBondContact O-CG 3.38Å; L415-L419 PolarHBondContact O-N 3.43Å; L415-V435 HydrophobicContact CD2-CG1 3.99Å; L415-I436 HydrophobicContact CD2-CG1 4Å
416E87.4Confident79.7Confident76 Ų7648.8 Ų48.836%0.35528%0.276SS..Hα-helixtrans-52.2-46.3174.3179.7-179.8-156.600111.8L412 L414 L419 M420 V432L412-E416 PolarHBondContact O-N 3.37Å; L412-E416 VanDerWaalsContact O-N 3.13Å; L414-E416 VanDerWaalsContact C-N 3.34Å; L414-E416 PolarHBondContact O-N 2.84Å; E416-L419 PolarHBondContact O-N 3.35Å; E416-M420 PolarHBondContact O-N 3.34Å; E416-V432 HydrophobicContact CB-CG1 4.47Å; E416-V432 HydrophobicContact CG-CG2 4.35Å
417R85.6Confident79.9Confident107 Ų10747.9 Ų47.940%0.40426%0.264SS..Hα-helixtrans-70.3-32.6178.2-67177.5-175.1-155.1-0113.6H341 F344 G413 L414 L415 L419 M420H341-R417 PolarHBondContact NE2-NH1 2.82Å; F344-R417 HydrophobicContact CE1-CB 4.24Å; G413-R417 WeakPolarHBondContact O-CG 3.37Å; L414-R417 PolarHBondContact O-N 3.26Å; L414-R417 VanDerWaalsContact O-N 3.12Å; L415-R417 VanDerWaalsContact C-N 3.28Å; L415-R417 PolarHBondContact O-N 3.37Å; R417-L419 VanDerWaalsContact C-N 3.32Å; R417-M420 HydrophobicContact CB-SD 4.47Å; R417-M420 HydrophobicContact CG-SD 4.38Å; R417-M420 WeakPolarHBondContact O-CB 3.48Å; R417-M420 PolarHBondContact O-N 2.83Å
418V88.9Confident80.1Confident3 Ų350.2 Ų50.22%0.01828%0.278CS..Hα-helixtrans-69.7-32.9175.9170.90000110.8F344 K381 L384 R385 L388 L414 L415 M420F344-V418 HydrophobicContact CD1-CG2 4.26Å; F344-V418 HydrophobicContact CD2-CG2 4.35Å; F344-V418 HydrophobicContact CE1-CG2 3.86Å; F344-V418 HydrophobicContact CE2-CG2 3.96Å; F344-V418 HydrophobicContact CG-CG2 4.5Å; F344-V418 HydrophobicContact CZ-CB 4.27Å; F344-V418 HydrophobicContact CZ-CG2 3.71Å; K381-V418 WeakPolarHBondContact CE-O 3.47Å; K381-V418 HydrophobicContact CG-CG1 4.15Å; L384-V418 HydrophobicContact CD2-CG2 3.64Å; L384-V418 HydrophobicContact CG-CG2 4Å; R385-V418 HydrophobicContact CB-CG1 3.71Å; R385-V418 HydrophobicContact CG-CG1 4.3Å; L388-V418 HydrophobicContact CD1-CB 4.38Å; L388-V418 HydrophobicContact CD1-CG2 3.89Å; L414-V418 HydrophobicContact CD1-CG2 4.09Å; L414-V418 HydrophobicContact CG-CG2 4.29Å; L414-V418 WeakPolarHBondContact O-CG2 3.31Å; L414-V418 PolarHBondContact O-N 2.87Å; L415-V418 PolarHBondContact O-N 2.93Å; L415-V418 VanDerWaalsContact O-N 3.1Å; V418-M420 VanDerWaalsContact C-N 3.3Å; V418-M420 PolarHBondContact O-N 3.23Å
419L86.6Confident79.9Confident32 Ų3254.2 Ų54.217%0.16830%0.304CS..Hα-helixtrans-73.9-16.8175.5-66.7170.9000113.5L415 E416 R417 K421 V427 V432 V435L415-L419 HydrophobicContact CD1-CD1 4.22Å; L415-L419 HydrophobicContact CD1-CG 4.22Å; L415-L419 HydrophobicContact CG-CD1 4.06Å; L415-L419 HydrophobicContact CG-CG 4.46Å; L415-L419 WeakPolarHBondContact O-CG 3.38Å; L415-L419 PolarHBondContact O-N 3.43Å; E416-L419 PolarHBondContact O-N 3.35Å; R417-L419 VanDerWaalsContact C-N 3.32Å; L419-K421 PolarHBondContact O-N 3.02Å; L419-V427 HydrophobicContact CB-CG1 4.27Å; L419-V427 HydrophobicContact CB-CG2 3.82Å; L419-V427 WeakPolarHBondContact O-CG2 3.19Å; L419-V432 HydrophobicContact CD1-CG2 4.18Å; L419-V435 HydrophobicContact CD1-CB 4.43Å; L419-V435 HydrophobicContact CD1-CG2 4.13Å; L419-V435 HydrophobicContact CD2-CG2 4.36Å
420M83.3Confident80Confident45 Ų4556.9 Ų56.922%0.22232%0.319CS..  trans-60134.6178.1-66.3177.182.800112.1K381 E416 R417 V418 D422 V427K381-M420 PolarHBondContact NZ-O 3.36Å; E416-M420 PolarHBondContact O-N 3.34Å; R417-M420 HydrophobicContact CB-SD 4.47Å; R417-M420 HydrophobicContact CG-SD 4.38Å; R417-M420 WeakPolarHBondContact O-CB 3.48Å; R417-M420 PolarHBondContact O-N 2.83Å; V418-M420 VanDerWaalsContact C-N 3.3Å; V418-M420 PolarHBondContact O-N 3.23Å; M420-D422 WeakPolarHBondContact CE-O 3.44Å; M420-V427 VanDerWaalsContact CA-CG2 3.48Å; M420-V427 HydrophobicContact CB-CG2 4.22Å; M420-V427 HydrophobicContact CG-CG2 3.77Å; M420-V427 VanDerWaalsContact N-CG2 3.31Å
421K73.2Confident80.2Confident155 Ų15559.4 Ų59.467%0.67432%0.321SS*.SBendtrans-82.2-33.3177.3-70.1171.2-176.6153.30112.3L419L419-K421 PolarHBondContact O-N 3.02Å
422D65.9Low80.2Confident58 Ų5859.5 Ų59.531%0.3132%0.322SS..SBendtrans-150.8179.3171.664.968.5000110.2M420 V424 S425M420-D422 WeakPolarHBondContact CE-O 3.44Å; D422-V424 VanDerWaalsContact C-N 3.33Å; D422-V424 PolarHBondContact O-N 3.44Å; D422-V424 WeakPolarHBondContact OD1-CA 3.47Å; D422-V424 PolarHBondContact OD1-N 2.99Å; D422-S425 PolarHBondContact OD1-N 3.26Å
423V62.1Low80.3Confident62 Ų6262.6 Ų62.638%0.37633%0.333SS..SBendtrans-77.6-13.5-175.5165.80000113.8H352H352-V423 HydrophobicContact CB-CB 4.24Å; H352-V423 HydrophobicContact CB-CG2 3.7Å
424V55.7Low80.5Confident109 Ų10964.1 Ų64.166%0.66134%0.344SS*.SBendtrans-107-28.5-172-1710000112.1D422 P426D422-V424 VanDerWaalsContact C-N 3.33Å; D422-V424 PolarHBondContact O-N 3.44Å; D422-V424 WeakPolarHBondContact OD1-CA 3.47Å; D422-V424 PolarHBondContact OD1-N 2.99Å; V424-P426 WeakPolarHBondContact O-CD 3.34Å
425S69.1Low80.6Confident63 Ų6365.3 Ų65.344%0.44135%0.351SS..SBendtrans-93.897.6175.2-72.10000111.6D422D422-S425 PolarHBondContact OD1-N 3.26Å
426P70.7Confident80.7Confident101 Ų10165.3 Ų65.366%0.65635%0.351SS*.PPolyproline II helixtrans-61.3145.2170.428.2-35.2000110.2V424V424-P426 WeakPolarHBondContact O-CD 3.34Å
427V79Confident80.9Confident12 Ų1265.6 Ų65.67%0.07335%0.349CS..PPolyproline II helixtrans-64.8135.9176.1-173.70000108.7L419 M420 E431 V432L419-V427 HydrophobicContact CB-CG1 4.27Å; L419-V427 HydrophobicContact CB-CG2 3.82Å; L419-V427 WeakPolarHBondContact O-CG2 3.19Å; M420-V427 VanDerWaalsContact CA-CG2 3.48Å; M420-V427 HydrophobicContact CB-CG2 4.22Å; M420-V427 HydrophobicContact CG-CG2 3.77Å; M420-V427 VanDerWaalsContact N-CG2 3.31Å; V427-E431 HydrophobicContact CG1-CB 3.71Å; V427-V432 HydrophobicContact CB-CG2 3.88Å; V427-V432 HydrophobicContact CG1-CG2 3.57Å
428P83.6Confident81.2Confident62 Ų6266 Ų6640%0.40335%0.354SS..PPolyproline II helixtrans-54.5131.1170-2534.7000110.1E430 E431P428-E430 PolarHBondContact O-N 3.18Å; P428-E431 HydrophobicContact CB-CG 4.34Å; P428-E431 HydrophobicContact CG-CG 4.35Å; P428-E431 PolarHBondContact O-N 2.89Å
429P81.4Confident81.4Confident88 Ų8866.1 Ų66.157%0.57135%0.354SS*.Hα-helixtrans-55.1-25.4-179.3-29.236000113.8R433P429-R433 WeakPolarHBondContact O-CB 3.39Å; P429-R433 PolarHBondContact O-N 2.64Å
430E85.8Confident81.6Confident162 Ų16264.7 Ų64.776%0.75735%0.347SS*.Hα-helixtrans-66.6-38174.6-63.2-178.2174.800113.5P428 R433 A434P428-E430 PolarHBondContact O-N 3.18Å; E430-R433 PolarHBondContact O-N 2.74Å; E430-A434 VanDerWaalsContact O-CB 3.29Å; E430-A434 WeakPolarHBondContact O-CB 3.4Å; E430-A434 PolarHBondContact O-N 2.86Å
431E87.4Confident82.1Confident86 Ų8666.1 Ų66.140%0.40235%0.353SS..Hα-helixtrans-67-43.7176.5-68.9-177.4-155.200110.2V427 P428 A434 V435V427-E431 HydrophobicContact CG1-CB 3.71Å; P428-E431 HydrophobicContact CB-CG 4.34Å; P428-E431 HydrophobicContact CG-CG 4.35Å; P428-E431 PolarHBondContact O-N 2.89Å; E431-A434 PolarHBondContact O-N 3.29Å; E431-V435 PolarHBondContact O-N 2.99Å; E431-V435 VanDerWaalsContact O-N 3.14Å
432V87.6Confident83.1Confident2 Ų262.1 Ų62.11%0.01234%0.339CS..Hα-helixtrans-64.5-43.8175.9-173.10000110.8E416 L419 V427 A434 V435 I436 F500E416-V432 HydrophobicContact CB-CG1 4.47Å; E416-V432 HydrophobicContact CG-CG2 4.35Å; L419-V432 HydrophobicContact CD1-CG2 4.18Å; V427-V432 HydrophobicContact CB-CG2 3.88Å; V427-V432 HydrophobicContact CG1-CG2 3.57Å; V432-A434 VanDerWaalsContact C-N 3.33Å; V432-A434 PolarHBondContact O-N 3.07Å; V432-V435 PolarHBondContact O-N 2.67Å; V432-I436 HydrophobicContact CG1-CD1 3.81Å; V432-I436 WeakPolarHBondContact O-CB 3.33Å; V432-I436 WeakPolarHBondContact O-CG1 3.17Å; V432-I436 PolarHBondContact O-N 3.18Å; V432-F500 HydrophobicContact CG1-CZ 4.33Å
433R88.6Confident84.4Confident66 Ų6659.3 Ų59.325%0.24932%0.324CS..Hα-helixtrans-61.1-38.2174.8-173.4176.1-175.9159.26.3112P429 E430 R437 W502 D505 L506P429-R433 WeakPolarHBondContact O-CB 3.39Å; P429-R433 PolarHBondContact O-N 2.64Å; E430-R433 PolarHBondContact O-N 2.74Å; R433-R437 WeakPolarHBondContact O-CB 3.46Å; R433-R437 PolarHBondContact O-N 3.22Å; R433-W502 HydrophobicContact CB-CE3 4.27Å; R433-W502 HydrophobicContact CB-CH2 3.89Å; R433-W502 HydrophobicContact CB-CZ2 4.14Å; R433-W502 HydrophobicContact CB-CZ3 3.96Å; R433-W502 HydrophobicContact CG-CD2 4.26Å; R433-W502 HydrophobicContact CG-CE3 3.76Å; R433-W502 HydrophobicContact CG-CH2 4.24Å; R433-W502 HydrophobicContact CG-CZ3 3.77Å; R433-D505 IonicContact CZ-OD2 3.62Å; R433-D505 IonicContact NH1-OD2 3.93Å; R433-D505 VanDerWaalsContact NH2-CB 3.3Å; R433-D505 IonicContact NH2-OD2 3.17Å; R433-D505 PolarHBondContact NH2-OD2 3.45Å; R433-L506 HydrophobicContact CG-CD1 4.05Å; R433-L506 HydrophobicContact CG-CD2 4.28Å; R433-L506 HydrophobicContact CG-CG 4.46Å
434A90.3Very high85.8Confident55 Ų5556.4 Ų56.446%0.45531%0.306SS..Hα-helixtrans-68.2-42.7179.200000112.7E430 E431 V432 K438E430-A434 VanDerWaalsContact O-CB 3.29Å; E430-A434 WeakPolarHBondContact O-CB 3.4Å; E430-A434 PolarHBondContact O-N 2.86Å; E431-A434 PolarHBondContact O-N 3.29Å; V432-A434 VanDerWaalsContact C-N 3.33Å; V432-A434 PolarHBondContact O-N 3.07Å; A434-K438 PolarHBondContact O-N 3.3Å; A434-K438 VanDerWaalsContact O-N 3.12Å
435V91.4Very high87.6Confident27 Ų2755.4 Ų55.416%0.16430%0.297CS..Hα-helixtrans-63-49.1174.9174.90000110.5E389 L415 L419 E431 V432 R437 K438 C439E389-V435 HydrophobicContact CG-CG1 3.83Å; E389-V435 VanDerWaalsContact OE1-CG1 3.27Å; E389-V435 WeakPolarHBondContact OE1-CG1 3.23Å; L415-V435 HydrophobicContact CD2-CG1 3.99Å; L419-V435 HydrophobicContact CD1-CB 4.43Å; L419-V435 HydrophobicContact CD1-CG2 4.13Å; L419-V435 HydrophobicContact CD2-CG2 4.36Å; E431-V435 PolarHBondContact O-N 2.99Å; E431-V435 VanDerWaalsContact O-N 3.14Å; V432-V435 PolarHBondContact O-N 2.67Å; V435-R437 PolarHBondContact O-N 2.68Å; V435-K438 PolarHBondContact O-N 2.99Å; V435-C439 PolarHBondContact O-N 3.04Å; V435-C439 PolarHBondContact O-SG 3.22Å
436I90.4Very high88.7Confident0 Ų054.8 Ų54.80%029%0.29CS..Hα-helixtrans-63.3-42.4179.9-72.9165.8000111.7L412 L415 V432 K438 C439 L440 F500 W502 F503 L506L412-I436 HydrophobicContact CD2-CD1 3.72Å; L412-I436 HydrophobicContact CD2-CG1 4.02Å; L415-I436 HydrophobicContact CD2-CG1 4Å; V432-I436 HydrophobicContact CG1-CD1 3.81Å; V432-I436 WeakPolarHBondContact O-CB 3.33Å; V432-I436 WeakPolarHBondContact O-CG1 3.17Å; V432-I436 PolarHBondContact O-N 3.18Å; I436-K438 VanDerWaalsContact C-N 3.34Å; I436-K438 PolarHBondContact O-N 3.43Å; I436-C439 PolarHBondContact O-N 3.4Å; I436-L440 HydrophobicContact CG2-CD1 3.86Å; I436-L440 HydrophobicContact CG2-CG 4.42Å; I436-L440 WeakPolarHBondContact O-CG 3.38Å; I436-L440 PolarHBondContact O-N 2.92Å; I436-F500 HydrophobicContact CD1-CD2 4.41Å; I436-F500 HydrophobicContact CD1-CE2 3.97Å; I436-W502 HydrophobicContact CD1-CH2 3.95Å; I436-F503 HydrophobicContact CD1-CE2 4.28Å; I436-F503 HydrophobicContact CG2-CD2 4.16Å; I436-F503 HydrophobicContact CG2-CE1 4.41Å; I436-F503 HydrophobicContact CG2-CE2 3.31Å; I436-F503 HydrophobicContact CG2-CZ 3.45Å; I436-F503 VanDerWaalsContact CG2-CZ 3.45Å; I436-L506 HydrophobicContact CB-CD1 4.34Å; I436-L506 HydrophobicContact CG2-CD1 3.67Å
437R91.4Very high89.7Confident82 Ų8250 Ų5031%0.30926%0.259SS..Hα-helixtrans-51.4-55.2173.2170.6-176.8-64.3-700.6109.8R433 V435 C439 L440 E441 L506 D509R433-R437 WeakPolarHBondContact O-CB 3.46Å; R433-R437 PolarHBondContact O-N 3.22Å; V435-R437 PolarHBondContact O-N 2.68Å; R437-C439 VanDerWaalsContact C-N 3.34Å; R437-C439 PolarHBondContact O-N 3.04Å; R437-L440 WeakPolarHBondContact O-CB 3.44Å; R437-L440 PolarHBondContact O-N 3.28Å; R437-E441 WeakPolarHBondContact CD-OE1 3.37Å; R437-E441 HydrophobicContact CG-CG 4.29Å; R437-E441 WeakPolarHBondContact CG-OE1 3.48Å; R437-E441 VanDerWaalsContact O-CG 3.31Å; R437-E441 WeakPolarHBondContact O-CG 3.26Å; R437-E441 PolarHBondContact O-N 3.23Å; R437-L506 HydrophobicContact CB-CD1 4.27Å; R437-L506 HydrophobicContact CB-CD2 3.98Å; R437-L506 HydrophobicContact CG-CD2 4.33Å; R437-L506 VanDerWaalsContact NH2-CD2 3.32Å; R437-D509 IonicContact CZ-OD2 3.55Å; R437-D509 IonicContact NH1-OD2 2.65Å; R437-D509 PolarHBondContact NH1-OD2 3.3Å; R437-D509 IonicContact NH2-OD2 2.68Å; R437-D509 PolarHBondContact NH2-OD2 3.44Å
438K93.3Very high90.3Very high117 Ų11749.8 Ų49.851%0.50926%0.257SS..Hα-helixtrans-57.6-44.7178.7-170.2-167.6169.9-162.30112.3A434 V435 I436 L440 E441 D442A434-K438 PolarHBondContact O-N 3.3Å; A434-K438 VanDerWaalsContact O-N 3.12Å; V435-K438 PolarHBondContact O-N 2.99Å; I436-K438 VanDerWaalsContact C-N 3.34Å; I436-K438 PolarHBondContact O-N 3.43Å; K438-L440 PolarHBondContact O-N 3.47Å; K438-E441 WeakPolarHBondContact O-CB 3.31Å; K438-E441 PolarHBondContact O-N 3.4Å; K438-D442 PolarHBondContact O-N 3.3Å
439C92.9Very high90.6Very high4 Ų449.9 Ų49.93%0.02726%0.257CS..Hα-helixtrans-59.7-34.2177.2-63.10000112.8I392 T393 V435 I436 R437 A443I392-C439 HydrophobicContact CB-CB 4.17Å; I392-C439 HydrophobicContact CG2-CB 3.67Å; T393-C439 WeakPolarHBondContact CA-O 3.41Å; T393-C439 PolarHBondContact OG1-O 3.08Å; V435-C439 PolarHBondContact O-N 3.04Å; V435-C439 PolarHBondContact O-SG 3.22Å; I436-C439 PolarHBondContact O-N 3.4Å; R437-C439 VanDerWaalsContact C-N 3.34Å; R437-C439 PolarHBondContact O-N 3.04Å; C439-A443 VanDerWaalsContact O-CB 3.28Å; C439-A443 WeakPolarHBondContact O-CB 3.48Å; C439-A443 PolarHBondContact O-N 3.17Å
440L91.4Very high91Very high3 Ų350.6 Ų50.62%0.01625%0.248CC..Hα-helixtrans-79.3-33.8177.3-67.6167.2000112.9F395 I436 R437 K438 A443 A444 F503 L506 H510F395-L440 HydrophobicContact CE1-CD2 4.35Å; I436-L440 HydrophobicContact CG2-CD1 3.86Å; I436-L440 HydrophobicContact CG2-CG 4.42Å; I436-L440 WeakPolarHBondContact O-CG 3.38Å; I436-L440 PolarHBondContact O-N 2.92Å; R437-L440 WeakPolarHBondContact O-CB 3.44Å; R437-L440 PolarHBondContact O-N 3.28Å; K438-L440 PolarHBondContact O-N 3.47Å; L440-A443 WeakPolarHBondContact O-CB 3.44Å; L440-A443 PolarHBondContact O-N 3.09Å; L440-A444 PolarHBondContact O-N 3.46Å; L440-F503 HydrophobicContact CD1-CD1 4.4Å; L440-F503 HydrophobicContact CD1-CE1 3.53Å; L440-F503 HydrophobicContact CD1-CZ 3.76Å; L440-F503 HydrophobicContact CD2-CE1 4.15Å; L440-F503 HydrophobicContact CD2-CZ 4.35Å; L440-F503 HydrophobicContact CG-CE1 4.4Å; L440-F503 HydrophobicContact CG-CZ 4.43Å; L440-L506 HydrophobicContact CD1-CB 3.62Å; L440-L506 HydrophobicContact CD1-CD1 4.1Å; L440-H510 HydrophobicContact CB-CB 4.29Å; L440-H510 PolarHBondContact O-ND1 3.45Å
441E92.5Very high91.1Very high75 Ų7543.3 Ų43.335%0.3521%0.214SC..Hα-helixtrans-59.7-50.3169.5-66.4169.1173.300109.7R437 K438 A443 A444 L445 I513R437-E441 WeakPolarHBondContact CD-OE1 3.37Å; R437-E441 HydrophobicContact CG-CG 4.29Å; R437-E441 WeakPolarHBondContact CG-OE1 3.48Å; R437-E441 VanDerWaalsContact O-CG 3.31Å; R437-E441 WeakPolarHBondContact O-CG 3.26Å; R437-E441 PolarHBondContact O-N 3.23Å; K438-E441 WeakPolarHBondContact O-CB 3.31Å; K438-E441 PolarHBondContact O-N 3.4Å; E441-A443 VanDerWaalsContact C-N 3.3Å; E441-A443 PolarHBondContact O-N 3.24Å; E441-A444 WeakPolarHBondContact O-CB 3.19Å; E441-A444 PolarHBondContact O-N 2.94Å; E441-L445 PolarHBondContact O-N 2.88Å; E441-I513 HydrophobicContact CB-CD1 4.27Å; E441-I513 HydrophobicContact CG-CD1 3.64Å
442D93.7Very high91Very high70 Ų7040.4 Ų40.437%0.37420%0.203SC..Hα-helixtrans-62.3-36.2173.8-70.4-31.9000111.5T393 K438 A444 L445 V446T393-D442 HydrophobicContact CG2-CB 3.81Å; K438-D442 PolarHBondContact O-N 3.3Å; D442-A444 PolarHBondContact O-N 2.71Å; D442-L445 PolarHBondContact O-N 3.19Å; D442-V446 WeakPolarHBondContact O-CG2 3.49Å; D442-V446 PolarHBondContact O-N 3.34Å
443A93.1Very high91Very high0 Ų045.4 Ų45.40%023%0.229CC..Hα-helixtrans-66.3-34.8177.300000112.8T393 F395 C439 L440 E441 L445 V446 N447T393-A443 HydrophobicContact CG2-CB 4.46Å; T393-A443 WeakPolarHBondContact O-CB 3.34Å; F395-A443 HydrophobicContact CD1-CB 4.38Å; F395-A443 HydrophobicContact CE1-CB 4.14Å; C439-A443 VanDerWaalsContact O-CB 3.28Å; C439-A443 WeakPolarHBondContact O-CB 3.48Å; C439-A443 PolarHBondContact O-N 3.17Å; L440-A443 WeakPolarHBondContact O-CB 3.44Å; L440-A443 PolarHBondContact O-N 3.09Å; E441-A443 VanDerWaalsContact C-N 3.3Å; E441-A443 PolarHBondContact O-N 3.24Å; A443-L445 VanDerWaalsContact C-N 3.32Å; A443-V446 PolarHBondContact O-N 3.32Å; A443-N447 VanDerWaalsContact O-CB 3.27Å; A443-N447 WeakPolarHBondContact O-CB 3.04Å; A443-N447 PolarHBondContact O-N 2.98Å; A443-N447 PolarHBondContact O-ND2 3.48Å
444A93.1Very high90.7Very high0 Ų048.7 Ų48.70%025%0.248CC..Hα-helixtrans-62.1-44.7177.400000110.2L440 E441 D442 Y448 H510 I513 F514L440-A444 PolarHBondContact O-N 3.46Å; E441-A444 WeakPolarHBondContact O-CB 3.19Å; E441-A444 PolarHBondContact O-N 2.94Å; D442-A444 PolarHBondContact O-N 2.71Å; A444-Y448 WeakPolarHBondContact O-CB 3.37Å; A444-Y448 PolarHBondContact O-N 3.3Å; A444-H510 VanDerWaalsContact CA-CE1 3.45Å; A444-H510 WeakPolarHBondContact CA-CE1 3.4Å; A444-H510 PolarHBondContact N-CE1 2.97Å; A444-H510 VanDerWaalsContact N-CE1 3.32Å; A444-H510 PolarHBondContact N-ND1 2.87Å; A444-I513 HydrophobicContact CB-CB 4.16Å; A444-I513 HydrophobicContact CB-CG2 3.76Å; A444-F514 HydrophobicContact CB-CB 4.16Å
445L93.3Very high90.2Very high88 Ų8846.6 Ų46.646%0.46123%0.23SC..Hα-helixtrans-62.4-47.7175.5-178.462.7000112.3E441 D442 A443 Y448 T449 L517E441-L445 PolarHBondContact O-N 2.88Å; D442-L445 PolarHBondContact O-N 3.19Å; A443-L445 VanDerWaalsContact C-N 3.32Å; L445-Y448 PolarHBondContact O-N 3.11Å; L445-T449 VanDerWaalsContact O-CB 3.24Å; L445-T449 WeakPolarHBondContact O-CB 3.39Å; L445-T449 PolarHBondContact O-N 3Å; L445-T449 PolarHBondContact O-OG1 3.07Å; L445-L517 HydrophobicContact CB-CD1 4.24Å; L445-L517 HydrophobicContact CD1-CD1 4.04Å; L445-L517 HydrophobicContact CD1-CD2 4.23Å
446V92.4Very high89.7Confident50 Ų5051 Ų5130%0.30325%0.247SC..Hα-helixtrans-61.6-47.1178.6171.30000111.4T393 D442 A443 R450T393-V446 HydrophobicContact CG2-CG2 4.25Å; D442-V446 WeakPolarHBondContact O-CG2 3.49Å; D442-V446 PolarHBondContact O-N 3.34Å; A443-V446 PolarHBondContact O-N 3.32Å; V446-R450 WeakPolarHBondContact O-CB 3.47Å; V446-R450 PolarHBondContact O-N 3.41Å; V446-R450 VanDerWaalsContact O-N 3.09Å
447N91Very high88.9Confident0 Ų051.4 Ų51.40%025%0.249CC..Hα-helixtrans-62-47.9178.9-72.4-19.5000111.3A443 R450 I451 L484 F514A443-N447 VanDerWaalsContact O-CB 3.27Å; A443-N447 WeakPolarHBondContact O-CB 3.04Å; A443-N447 PolarHBondContact O-N 2.98Å; A443-N447 PolarHBondContact O-ND2 3.48Å; N447-R450 PolarHBondContact O-N 3.35Å; N447-I451 PolarHBondContact O-N 2.93Å; N447-L484 HydrophobicContact CB-CD1 4.25Å; N447-L484 HydrophobicContact CB-CD2 4.35Å; N447-F514 HydrophobicContact CB-CD2 4.29Å; N447-F514 HydrophobicContact CB-CE2 4.09Å
448Y92.1Very high88Confident9 Ų955.9 Ų55.94%0.03527%0.273CS..Hα-helixtrans-64.5-49.7-179.3-172.6-108.6000111.7A444 L445 R450 I451 C452 F514 L517 Y518 D521A444-Y448 WeakPolarHBondContact O-CB 3.37Å; A444-Y448 PolarHBondContact O-N 3.3Å; L445-Y448 PolarHBondContact O-N 3.11Å; Y448-R450 PolarHBondContact O-N 3.41Å; Y448-R450 VanDerWaalsContact O-N 3.13Å; Y448-I451 WeakPolarHBondContact O-CB 3.46Å; Y448-I451 PolarHBondContact O-N 2.75Å; Y448-C452 WeakPolarHBondContact CE1-SG 3.49Å; Y448-C452 VanDerWaalsContact CZ-SG 3.57Å; Y448-C452 PolarHBondContact O-N 3.02Å; Y448-C452 PolarHBondContact O-SG 3.01Å; Y448-F514 HydrophobicContact CD2-CD2 4.48Å; Y448-F514 HydrophobicContact CD2-CE1 4.42Å; Y448-F514 HydrophobicContact CD2-CE2 4.04Å; Y448-F514 HydrophobicContact CD2-CZ 4.01Å; Y448-F514 HydrophobicContact CG-CE2 4.48Å; Y448-L517 HydrophobicContact CD1-CB 3.65Å; Y448-L517 HydrophobicContact CD1-CD1 4.45Å; Y448-L517 HydrophobicContact CE1-CB 4.14Å; Y448-L517 HydrophobicContact CG-CB 3.99Å; Y448-L517 HydrophobicContact CG-CD1 4.48Å; Y448-Y518 HydrophobicContact CE2-CD2 4.07Å; Y448-Y518 HydrophobicContact CE2-CG 4.39Å; Y448-D521 PolarHBondContact OH-OD2 3.06Å
449T90.4Very high87Confident64 Ų6457.2 Ų57.239%0.39328%0.282SS..Hα-helixtrans-57.3-33.1178.1-63.60000111.7L445 C452 N453L445-T449 VanDerWaalsContact O-CB 3.24Å; L445-T449 WeakPolarHBondContact O-CB 3.39Å; L445-T449 PolarHBondContact O-N 3Å; L445-T449 PolarHBondContact O-OG1 3.07Å; T449-C452 PolarHBondContact O-N 3.3Å; T449-N453 PolarHBondContact O-N 2.85Å; T449-N453 VanDerWaalsContact O-N 3.13Å; T449-N453 PolarHBondContact O-ND2 3Å
450R88.2Confident86Confident102 Ų10261.8 Ų61.839%0.38530%0.298SS..Hα-helixtrans-71.4-41.5176.6-142.5-169.9-170.7129.4-5.6112.7Y397 V446 N447 Y448 C452 N453 E454Y397-R450 VanDerWaalsContact CE1-CZ 3.49Å; Y397-R450 WeakPolarHBondContact OH-CD 3.48Å; V446-R450 WeakPolarHBondContact O-CB 3.47Å; V446-R450 PolarHBondContact O-N 3.41Å; V446-R450 VanDerWaalsContact O-N 3.09Å; N447-R450 PolarHBondContact O-N 3.35Å; Y448-R450 PolarHBondContact O-N 3.41Å; Y448-R450 VanDerWaalsContact O-N 3.13Å; R450-C452 VanDerWaalsContact C-N 3.3Å; R450-C452 PolarHBondContact O-N 3.42Å; R450-N453 PolarHBondContact O-N 3.26Å; R450-E454 IonicContact NE-OE1 2.61Å; R450-E454 WeakPolarHBondContact O-CB 3.41Å; R450-E454 WeakPolarHBondContact O-CG 3.46Å; R450-E454 PolarHBondContact O-N 3Å
451I88.2Confident85Confident10 Ų1063 Ų635%0.05130%0.304CS..Hα-helixtrans-57.1-44.9169.7-74.4169.3000110.3N447 Y448 N453 E454 A455 V477 F480 L484 F514N447-I451 PolarHBondContact O-N 2.93Å; Y448-I451 WeakPolarHBondContact O-CB 3.46Å; Y448-I451 PolarHBondContact O-N 2.75Å; I451-N453 VanDerWaalsContact C-N 3.25Å; I451-N453 PolarHBondContact O-N 3.21Å; I451-E454 PolarHBondContact O-N 3.27Å; I451-A455 VanDerWaalsContact O-CB 3.3Å; I451-A455 WeakPolarHBondContact O-CB 3.42Å; I451-A455 PolarHBondContact O-N 3.2Å; I451-V477 HydrophobicContact CG2-CG1 4.23Å; I451-F480 HydrophobicContact CG2-CB 4.2Å; I451-L484 HydrophobicContact CD1-CB 4.01Å; I451-L484 HydrophobicContact CD1-CD1 3.56Å; I451-L484 HydrophobicContact CD1-CG 4.27Å; I451-L484 HydrophobicContact CG1-CD1 4.1Å; I451-F514 HydrophobicContact CD1-CE2 4.27Å; I451-F514 HydrophobicContact CD1-CZ 3.8Å
452C86.6Confident84Confident25 Ų2560.5 Ų60.517%0.16930%0.299CS..Hα-helixtrans-57-40.7178.5-54.80000112.3Y448 T449 R450 K456 I457Y448-C452 WeakPolarHBondContact CE1-SG 3.49Å; Y448-C452 VanDerWaalsContact CZ-SG 3.57Å; Y448-C452 PolarHBondContact O-N 3.02Å; Y448-C452 PolarHBondContact O-SG 3.01Å; T449-C452 PolarHBondContact O-N 3.3Å; R450-C452 VanDerWaalsContact C-N 3.3Å; R450-C452 PolarHBondContact O-N 3.42Å; C452-K456 CarbonylContact O-C 3.51Å; C452-K456 WeakPolarHBondContact O-CA 3.44Å; C452-K456 PolarHBondContact O-N 2.8Å; C452-I457 HydrophobicContact CB-CB 4.41Å; C452-I457 HydrophobicContact CB-CD1 3.98Å; C452-I457 HydrophobicContact CB-CG1 4.34Å; C452-I457 PolarHBondContact O-N 3.3Å
453N86.3Confident82.9Confident106 Ų10665 Ų6557%0.56732%0.321SS*.Hα-helixtrans-71.7-42.2177.1-77.1-62.1000113T449 R450 I451 K456T449-N453 PolarHBondContact O-N 2.85Å; T449-N453 VanDerWaalsContact O-N 3.13Å; T449-N453 PolarHBondContact O-ND2 3Å; R450-N453 PolarHBondContact O-N 3.26Å; I451-N453 VanDerWaalsContact C-N 3.25Å; I451-N453 PolarHBondContact O-N 3.21Å; N453-K456 PolarHBondContact O-N 3.19Å
454E82.9Confident82Confident136 Ų13673 Ų7364%0.63636%0.364SS*.Hα-helixtrans-70.3-43-179-72.8175.1-163.300111.7R450 I451 K456R450-E454 IonicContact NE-OE1 2.61Å; R450-E454 WeakPolarHBondContact O-CB 3.41Å; R450-E454 WeakPolarHBondContact O-CG 3.46Å; R450-E454 PolarHBondContact O-N 3Å; I451-E454 PolarHBondContact O-N 3.27Å; E454-K456 VanDerWaalsContact C-N 3.28Å; E454-K456 PolarHBondContact O-N 3.1Å
455A78.9Confident81.5Confident10 Ų1074.7 Ų74.78%0.08338%0.375CS..Hα-helixtrans-72.3-19.7172.300000113.1I451 I457 R460 V477 F480I451-A455 VanDerWaalsContact O-CB 3.3Å; I451-A455 WeakPolarHBondContact O-CB 3.42Å; I451-A455 PolarHBondContact O-N 3.2Å; A455-I457 HydrophobicContact CB-CG1 4.05Å; A455-R460 WeakPolarHBondContact O-CD 3.44Å; A455-R460 PolarHBondContact O-NE 2.88Å; A455-V477 HydrophobicContact CB-CG2 4.04Å; A455-F480 HydrophobicContact CB-CD2 4.33Å; A455-F480 HydrophobicContact CB-CE2 4.39Å
456K80.9Confident81.1Confident121 Ų12173.7 Ų73.753%0.52638%0.375SS..THydrogen-bonded Turntrans61.147.7-173.6-53.3-179.9179.8-178.50113.4C452 N453 E454 E458 Q459 R460C452-K456 CarbonylContact O-C 3.51Å; C452-K456 WeakPolarHBondContact O-CA 3.44Å; C452-K456 PolarHBondContact O-N 2.8Å; N453-K456 PolarHBondContact O-N 3.19Å; E454-K456 VanDerWaalsContact C-N 3.28Å; E454-K456 PolarHBondContact O-N 3.1Å; K456-E458 VanDerWaalsContact C-N 3.31Å; K456-E458 PolarHBondContact O-N 2.9Å; K456-Q459 HydrophobicContact CB-CB 4.39Å; K456-Q459 PolarHBondContact O-N 3.3Å; K456-R460 PolarHBondContact O-N 3.38Å; K456-R460 VanDerWaalsContact O-N 3.11Å
457I73.8Confident80.8Confident8 Ų873.6 Ų73.64%0.04138%0.375CS..Hα-helixtrans-54.1-45.1-175.4-63.8-175.6000111.5C452 A455 Q459 R460 M461 V477C452-I457 HydrophobicContact CB-CB 4.41Å; C452-I457 HydrophobicContact CB-CD1 3.98Å; C452-I457 HydrophobicContact CB-CG1 4.34Å; C452-I457 PolarHBondContact O-N 3.3Å; A455-I457 HydrophobicContact CB-CG1 4.05Å; I457-Q459 PolarHBondContact O-N 3.33Å; I457-Q459 VanDerWaalsContact O-N 3.14Å; I457-R460 PolarHBondContact O-N 3.11Å; I457-M461 HydrophobicContact CG2-CB 4.39Å; I457-M461 HydrophobicContact CG2-CG 3.6Å; I457-M461 WeakPolarHBondContact O-CB 3.42Å; I457-M461 WeakPolarHBondContact O-CG 3.23Å; I457-M461 PolarHBondContact O-N 3.17Å; I457-V477 HydrophobicContact CD1-CB 4.24Å; I457-V477 HydrophobicContact CD1-CG1 3.68Å; I457-V477 HydrophobicContact CD1-CG2 3.48Å; I457-V477 VanDerWaalsContact CD1-CG2 3.48Å; I457-V477 HydrophobicContact CG1-CG2 3.67Å
458E72.4Confident80.6Confident175 Ų17575.8 Ų75.882%0.81839%0.393SS*.Hα-helixtrans-56.6-32.9178.7-62.9-173.4159.500113.7K456K456-E458 VanDerWaalsContact C-N 3.31Å; K456-E458 PolarHBondContact O-N 2.9Å
459Q72.8Confident80.3Confident146 Ų14678.5 Ų78.568%0.68241%0.406SS*.Hα-helixtrans-83.1-32177.9-64.7-175.1-12.100112.3K456 I457K456-Q459 HydrophobicContact CB-CB 4.39Å; K456-Q459 PolarHBondContact O-N 3.3Å; I457-Q459 PolarHBondContact O-N 3.33Å; I457-Q459 VanDerWaalsContact O-N 3.14Å
460R72.1Confident80.2Confident100 Ų10076.4 Ų76.438%0.37739%0.391SS..Hα-helixtrans-86.3-23.4-177.8-68.6175.9179.2-88.90.2114A455 K456 I457 V465 D473A455-R460 WeakPolarHBondContact O-CD 3.44Å; A455-R460 PolarHBondContact O-NE 2.88Å; K456-R460 PolarHBondContact O-N 3.38Å; K456-R460 VanDerWaalsContact O-N 3.11Å; I457-R460 PolarHBondContact O-N 3.11Å; R460-V465 WeakPolarHBondContact O-CB 3.44Å; R460-V465 WeakPolarHBondContact O-CG1 3.47Å; R460-V465 WeakPolarHBondContact O-CG2 3.16Å; R460-D473 HydrophobicContact CB-CB 4.17Å; R460-D473 WeakPolarHBondContact CD-OD1 3.39Å; R460-D473 IonicContact CZ-OD1 3.65Å; R460-D473 IonicContact NE-OD1 3.78Å; R460-D473 IonicContact NH1-OD1 2.64Å; R460-D473 PolarHBondContact NH1-OD1 3.05Å; R460-D473 IonicContact NH1-OD2 3.32Å
461M69.7Low80.4Confident27 Ų2771.7 Ų71.713%0.13337%0.373CS..SBendtrans-101.410.3177.2-54.3-57.6-8300112.3I457 R470 D473 M474 A525I457-M461 HydrophobicContact CG2-CB 4.39Å; I457-M461 HydrophobicContact CG2-CG 3.6Å; I457-M461 WeakPolarHBondContact O-CB 3.42Å; I457-M461 WeakPolarHBondContact O-CG 3.23Å; I457-M461 PolarHBondContact O-N 3.17Å; M461-R470 HydrophobicContact CE-CB 3.81Å; M461-R470 HydrophobicContact CE-CG 4.22Å; M461-R470 VanDerWaalsContact O-CZ 3.29Å; M461-R470 PolarHBondContact O-NH2 3.42Å; M461-R470 VanDerWaalsContact O-NH2 3.1Å; M461-R470 HydrophobicContact SD-CB 3.95Å; M461-R470 HydrophobicContact SD-CG 4.07Å; M461-D473 HydrophobicContact SD-CB 4.44Å; M461-M474 HydrophobicContact CE-CE 3.75Å; M461-A525 HydrophobicContact CE-CB 3.46Å; M461-A525 VanDerWaalsContact CE-CB 3.46Å
462G71.8Confident80.4Confident24 Ų2475.4 Ų75.425%0.24739%0.391CS..SBendtrans-61.2161.7179.200000113.8D464 V465 R470G462-D464 PolarHBondContact O-N 3.38Å; G462-D464 VanDerWaalsContact O-N 3.13Å; G462-V465 PolarHBondContact O-N 3.31Å; G462-R470 PolarHBondContact O-NH2 3.26Å
463I70.5Confident80.5Confident163 Ų16374.7 Ų74.784%0.83639%0.385SS*.THydrogen-bonded Turntrans-57.2-31.6-174.3-61.4172.5000112.3V465I463-V465 VanDerWaalsContact C-N 3.27Å; I463-V465 PolarHBondContact O-N 3.18Å
464D74.8Confident80.8Confident168 Ų16869.7 Ų69.790%0.89836%0.358SS*.THydrogen-bonded Turntrans-78.3-3.2-178.7-57.1-50.9000114.6G462G462-D464 PolarHBondContact O-N 3.38Å; G462-D464 VanDerWaalsContact O-N 3.13Å
465V81.6Confident81.3Confident37 Ų3764.8 Ų64.822%0.22434%0.336CS..SBendtrans-96.4131.7-176.1-174.30000111.7R460 G462 I463 Q469 R470R460-V465 WeakPolarHBondContact O-CB 3.44Å; R460-V465 WeakPolarHBondContact O-CG1 3.47Å; R460-V465 WeakPolarHBondContact O-CG2 3.16Å; G462-V465 PolarHBondContact O-N 3.31Å; I463-V465 VanDerWaalsContact C-N 3.27Å; I463-V465 PolarHBondContact O-N 3.18Å; V465-Q469 HydrophobicContact CG1-CB 3.67Å; V465-Q469 HydrophobicContact CG1-CG 3.55Å; V465-R470 HydrophobicContact CB-CG 4.37Å; V465-R470 HydrophobicContact CG1-CG 4.09Å; V465-R470 PolarHBondContact O-NE 3.25Å
466S85.9Confident81.8Confident66 Ų6668.3 Ų68.346%0.46235%0.347SS..  trans-65151.4-175.773.30000112.9A468 Q469 R470S466-A468 VanDerWaalsContact C-N 3.32Å; S466-A468 PolarHBondContact O-N 2.98Å; S466-Q469 PolarHBondContact O-N 2.74Å; S466-Q469 VanDerWaalsContact O-N 3.12Å; S466-Q469 VanDerWaalsContact OG-CB 3.31Å; S466-Q469 WeakPolarHBondContact OG-CB 3.33Å; S466-Q469 PolarHBondContact OG-N 3.18Å; S466-R470 WeakPolarHBondContact O-CG 3.44Å; S466-R470 PolarHBondContact O-N 3.05Å
467P86.1Confident82.3Confident48 Ų4862.8 Ų62.831%0.31232%0.324SS..Hα-helixtrans-55.7-42.4-178.6-26.334.1000113.7R470 I471 V528 Q529P467-R470 WeakPolarHBondContact O-CB 3.41Å; P467-R470 PolarHBondContact O-N 3.43Å; P467-I471 PolarHBondContact O-N 2.79Å; P467-V528 HydrophobicContact CG-CG1 4.23Å; P467-Q529 PolarHBondContact O-NE2 3.48Å
468A86.4Confident83.3Confident46 Ų4662.4 Ų62.438%0.3832%0.322SS..Hα-helixtrans-65-41.2177.400000112.6S466 R470 I471 E472S466-A468 VanDerWaalsContact C-N 3.32Å; S466-A468 PolarHBondContact O-N 2.98Å; A468-R470 VanDerWaalsContact C-N 3.3Å; A468-R470 PolarHBondContact O-N 3.34Å; A468-I471 PolarHBondContact O-N 3.48Å; A468-E472 PolarHBondContact O-N 2.86Å; A468-E472 VanDerWaalsContact O-N 3.09Å
469Q86.5Confident84.2Confident67 Ų6758.3 Ų58.331%0.31330%0.303SS..Hα-helixtrans-65-35177.6-17563.669.600111.8V465 S466 I471 E472 D473V465-Q469 HydrophobicContact CG1-CB 3.67Å; V465-Q469 HydrophobicContact CG1-CG 3.55Å; S466-Q469 PolarHBondContact O-N 2.74Å; S466-Q469 VanDerWaalsContact O-N 3.12Å; S466-Q469 VanDerWaalsContact OG-CB 3.31Å; S466-Q469 WeakPolarHBondContact OG-CB 3.33Å; S466-Q469 PolarHBondContact OG-N 3.18Å; Q469-I471 VanDerWaalsContact C-N 3.34Å; Q469-I471 PolarHBondContact O-N 3.19Å; Q469-E472 PolarHBondContact NE2-OE2 3.31Å; Q469-E472 PolarHBondContact O-N 2.96Å; Q469-D473 PolarHBondContact NE2-OD2 2.67Å; Q469-D473 PolarHBondContact O-N 3.36Å
470R88.4Confident85.1Confident20 Ų2056.7 Ų56.78%0.07529%0.293CS..Hα-helixtrans-62.4-37.1173.7-69.2175.9178.4-134.5-5.4112.8M461 G462 V465 S466 P467 A468 M474M461-R470 HydrophobicContact CE-CB 3.81Å; M461-R470 HydrophobicContact CE-CG 4.22Å; M461-R470 VanDerWaalsContact O-CZ 3.29Å; M461-R470 PolarHBondContact O-NH2 3.42Å; M461-R470 VanDerWaalsContact O-NH2 3.1Å; M461-R470 HydrophobicContact SD-CB 3.95Å; M461-R470 HydrophobicContact SD-CG 4.07Å; G462-R470 PolarHBondContact O-NH2 3.26Å; V465-R470 HydrophobicContact CB-CG 4.37Å; V465-R470 HydrophobicContact CG1-CG 4.09Å; V465-R470 PolarHBondContact O-NE 3.25Å; S466-R470 WeakPolarHBondContact O-CG 3.44Å; S466-R470 PolarHBondContact O-N 3.05Å; P467-R470 WeakPolarHBondContact O-CB 3.41Å; P467-R470 PolarHBondContact O-N 3.43Å; A468-R470 VanDerWaalsContact C-N 3.3Å; A468-R470 PolarHBondContact O-N 3.34Å; R470-M474 VanDerWaalsContact O-CB 3.3Å; R470-M474 WeakPolarHBondContact O-CB 3.32Å; R470-M474 PolarHBondContact O-N 3.06Å
471I91.3Very high86.1Confident2 Ų251.9 Ų51.91%0.0128%0.276CS..Hα-helixtrans-70-41.9174.2-59.9-57.4000110.7P467 A468 Q469 D473 M474 I475 A525 L526 Q529 D535 L539P467-I471 PolarHBondContact O-N 2.79Å; A468-I471 PolarHBondContact O-N 3.48Å; Q469-I471 VanDerWaalsContact C-N 3.34Å; Q469-I471 PolarHBondContact O-N 3.19Å; I471-D473 PolarHBondContact O-N 3.02Å; I471-M474 WeakPolarHBondContact O-CB 3.46Å; I471-M474 PolarHBondContact O-N 3.15Å; I471-I475 HydrophobicContact CG2-CD1 4.15Å; I471-I475 WeakPolarHBondContact O-CG1 3.5Å; I471-I475 PolarHBondContact O-N 3.37Å; I471-A525 HydrophobicContact CD1-CB 4.32Å; I471-L526 HydrophobicContact CD1-CD2 4.11Å; I471-Q529 HydrophobicContact CD1-CG 4.07Å; I471-Q529 HydrophobicContact CG1-CG 4.32Å; I471-D535 WeakPolarHBondContact CG2-O 3.31Å; I471-L539 HydrophobicContact CG2-CB 4.47Å; I471-L539 HydrophobicContact CG2-CD2 4.29Å
472E89.3Confident87.3Confident88 Ų8851.1 Ų51.141%0.41127%0.272SS..Hα-helixtrans-62.3-42.2176.6-161.4-158.1-178.600112A468 Q469 I475 R476A468-E472 PolarHBondContact O-N 2.86Å; A468-E472 VanDerWaalsContact O-N 3.09Å; Q469-E472 PolarHBondContact NE2-OE2 3.31Å; Q469-E472 PolarHBondContact O-N 2.96Å; E472-I475 PolarHBondContact O-N 3.1Å; E472-R476 WeakPolarHBondContact O-CG 3.41Å; E472-R476 PolarHBondContact O-N 3.42Å; E472-R476 IonicContact OE1-CZ 3.74Å; E472-R476 IonicContact OE1-NH2 3.2Å; E472-R476 PolarHBondContact OE1-NH2 3.17Å; E472-R476 IonicContact OE2-CZ 2.76Å; E472-R476 IonicContact OE2-NH1 3.94Å; E472-R476 IonicContact OE2-NH2 2.76Å; E472-R476 PolarHBondContact OE2-NH2 3.47Å
473D89.2Confident88.2Confident10 Ų1054.3 Ų54.35%0.05328%0.283CS..Hα-helixtrans-69.3-33.1174.3-78.6-52.8000112.3R460 M461 Q469 I471 R476 V477R460-D473 HydrophobicContact CB-CB 4.17Å; R460-D473 WeakPolarHBondContact CD-OD1 3.39Å; R460-D473 IonicContact CZ-OD1 3.65Å; R460-D473 IonicContact NE-OD1 3.78Å; R460-D473 IonicContact NH1-OD1 2.64Å; R460-D473 PolarHBondContact NH1-OD1 3.05Å; R460-D473 IonicContact NH1-OD2 3.32Å; M461-D473 HydrophobicContact SD-CB 4.44Å; Q469-D473 PolarHBondContact NE2-OD2 2.67Å; Q469-D473 PolarHBondContact O-N 3.36Å; I471-D473 PolarHBondContact O-N 3.02Å; D473-R476 PolarHBondContact O-N 3.19Å; D473-R476 IonicContact OD1-CZ 3.71Å; D473-R476 IonicContact OD1-NH1 2.94Å; D473-R476 PolarHBondContact OD1-NH1 2.78Å; D473-R476 IonicContact OD2-NH1 3.67Å; D473-V477 WeakPolarHBondContact O-CG2 3.3Å; D473-V477 PolarHBondContact O-N 3.41Å; D473-V477 VanDerWaalsContact O-N 3.11Å
474M92.2Very high89.2Confident1 Ų147 Ų471%0.00525%0.246CC..Hα-helixtrans-63.7-43.1171.4-172.356.461.900111.9M461 R470 I471 R476 V477 T478 Y518 D521 L522 A525 L539M461-M474 HydrophobicContact CE-CE 3.75Å; R470-M474 VanDerWaalsContact O-CB 3.3Å; R470-M474 WeakPolarHBondContact O-CB 3.32Å; R470-M474 PolarHBondContact O-N 3.06Å; I471-M474 WeakPolarHBondContact O-CB 3.46Å; I471-M474 PolarHBondContact O-N 3.15Å; M474-R476 VanDerWaalsContact C-N 3.31Å; M474-R476 PolarHBondContact O-N 3.46Å; M474-V477 CarbonylContact O-C 3.57Å; M474-V477 WeakPolarHBondContact O-CA 3.36Å; M474-V477 WeakPolarHBondContact O-CB 3.45Å; M474-V477 PolarHBondContact O-N 3.42Å; M474-V477 HydrophobicContact SD-CB 4.46Å; M474-T478 PolarHBondContact O-N 2.73Å; M474-T478 PolarHBondContact O-OG1 3.18Å; M474-Y518 HydrophobicContact SD-CD2 4.41Å; M474-Y518 HydrophobicContact SD-CE2 3.49Å; M474-Y518 WeakPolarHBondContact SD-CE2 3.24Å; M474-D521 VanDerWaalsContact CE-C 3.47Å; M474-D521 HydrophobicContact CE-CB 3.96Å; M474-D521 VanDerWaalsContact CE-O 3.28Å; M474-D521 WeakPolarHBondContact CE-O 3.44Å; M474-L522 HydrophobicContact CG-CD1 4.17Å; M474-A525 HydrophobicContact CE-CB 3.85Å; M474-L539 HydrophobicContact CB-CD2 4.14Å; M474-L539 HydrophobicContact CG-CD1 4.14Å; M474-L539 HydrophobicContact CG-CD2 3.68Å
475I92.3Very high89.9Confident34 Ų3439.5 Ų39.517%0.17421%0.206CC..Hα-helixtrans-56.4-45175.2-70.3166000110.8I471 E472 V477 T478 E479 P538 L539 M542I471-I475 HydrophobicContact CG2-CD1 4.15Å; I471-I475 WeakPolarHBondContact O-CG1 3.5Å; I471-I475 PolarHBondContact O-N 3.37Å; E472-I475 PolarHBondContact O-N 3.1Å; I475-V477 VanDerWaalsContact C-N 3.3Å; I475-V477 PolarHBondContact O-N 2.94Å; I475-T478 WeakPolarHBondContact O-CA 3.28Å; I475-T478 VanDerWaalsContact O-CB 3.24Å; I475-T478 WeakPolarHBondContact O-CB 3.24Å; I475-T478 PolarHBondContact O-N 3.46Å; I475-T478 VanDerWaalsContact O-N 3.09Å; I475-E479 WeakPolarHBondContact O-CG 3.47Å; I475-E479 PolarHBondContact O-N 2.97Å; I475-P538 HydrophobicContact CD1-CB 4.47Å; I475-L539 HydrophobicContact CD1-CB 4.25Å; I475-L539 HydrophobicContact CG1-CB 3.75Å; I475-L539 HydrophobicContact CG1-CD1 3.87Å; I475-L539 HydrophobicContact CG1-CG 4.32Å; I475-M542 HydrophobicContact CG2-CE 3.7Å; I475-M542 HydrophobicContact CG2-SD 4.23Å
476R89.9Confident90.2Very high83 Ų8341.8 Ų41.831%0.31321%0.212SC..Hα-helixtrans-61.7-37.3176-64.2169-174.1150.71.5112.3E472 D473 M474 E479 F480E472-R476 WeakPolarHBondContact O-CG 3.41Å; E472-R476 PolarHBondContact O-N 3.42Å; E472-R476 IonicContact OE1-CZ 3.74Å; E472-R476 IonicContact OE1-NH2 3.2Å; E472-R476 PolarHBondContact OE1-NH2 3.17Å; E472-R476 IonicContact OE2-CZ 2.76Å; E472-R476 IonicContact OE2-NH1 3.94Å; E472-R476 IonicContact OE2-NH2 2.76Å; E472-R476 PolarHBondContact OE2-NH2 3.47Å; D473-R476 PolarHBondContact O-N 3.19Å; D473-R476 IonicContact OD1-CZ 3.71Å; D473-R476 IonicContact OD1-NH1 2.94Å; D473-R476 PolarHBondContact OD1-NH1 2.78Å; D473-R476 IonicContact OD2-NH1 3.67Å; M474-R476 VanDerWaalsContact C-N 3.31Å; M474-R476 PolarHBondContact O-N 3.46Å; R476-E479 PolarHBondContact O-N 2.91Å; R476-F480 WeakPolarHBondContact O-CD2 3.43Å; R476-F480 WeakPolarHBondContact O-CG 3.47Å; R476-F480 PolarHBondContact O-N 3.47Å
477V91.6Very high90.2Very high5 Ų541.9 Ų41.93%0.0321%0.206CC..Hα-helixtrans-66.6-40.6173.4174.30000110.6I451 A455 I457 D473 M474 I475 E479 F480 C481 Y518I451-V477 HydrophobicContact CG2-CG1 4.23Å; A455-V477 HydrophobicContact CB-CG2 4.04Å; I457-V477 HydrophobicContact CD1-CB 4.24Å; I457-V477 HydrophobicContact CD1-CG1 3.68Å; I457-V477 HydrophobicContact CD1-CG2 3.48Å; I457-V477 VanDerWaalsContact CD1-CG2 3.48Å; I457-V477 HydrophobicContact CG1-CG2 3.67Å; D473-V477 WeakPolarHBondContact O-CG2 3.3Å; D473-V477 PolarHBondContact O-N 3.41Å; D473-V477 VanDerWaalsContact O-N 3.11Å; M474-V477 CarbonylContact O-C 3.57Å; M474-V477 WeakPolarHBondContact O-CA 3.36Å; M474-V477 WeakPolarHBondContact O-CB 3.45Å; M474-V477 PolarHBondContact O-N 3.42Å; M474-V477 HydrophobicContact SD-CB 4.46Å; I475-V477 VanDerWaalsContact C-N 3.3Å; I475-V477 PolarHBondContact O-N 2.94Å; V477-E479 PolarHBondContact O-N 3.42Å; V477-F480 PolarHBondContact O-N 2.9Å; V477-C481 WeakPolarHBondContact O-CB 3.45Å; V477-C481 PolarHBondContact O-N 3.44Å; V477-C481 PolarHBondContact O-SG 2.94Å; V477-C481 VanDerWaalsContact O-SG 3.33Å; V477-Y518 HydrophobicContact CG1-CD2 4.15Å; V477-Y518 HydrophobicContact CG1-CE2 4.02Å
478T94Very high90.2Very high0 Ų039.7 Ų39.70%019%0.191CC..Hα-helixtrans-58.2-45.4174.3-44.80000111.9M474 I475 C481 I482 Y518 L539 M542 L543M474-T478 PolarHBondContact O-N 2.73Å; M474-T478 PolarHBondContact O-OG1 3.18Å; I475-T478 WeakPolarHBondContact O-CA 3.28Å; I475-T478 VanDerWaalsContact O-CB 3.24Å; I475-T478 WeakPolarHBondContact O-CB 3.24Å; I475-T478 PolarHBondContact O-N 3.46Å; I475-T478 VanDerWaalsContact O-N 3.09Å; T478-C481 WeakPolarHBondContact O-CB 3.31Å; T478-C481 PolarHBondContact O-N 3.21Å; T478-I482 HydrophobicContact CG2-CD1 3.83Å; T478-I482 HydrophobicContact CG2-CG1 4.36Å; T478-I482 WeakPolarHBondContact O-CB 3.33Å; T478-I482 WeakPolarHBondContact O-CG1 3.36Å; T478-I482 PolarHBondContact O-N 3.32Å; T478-Y518 PolarHBondContact OG1-OH 3.48Å; T478-L539 HydrophobicContact CG2-CD1 4.41Å; T478-L539 WeakPolarHBondContact OG1-CD1 3.48Å; T478-M542 HydrophobicContact CG2-CG 4.16Å; T478-M542 HydrophobicContact CG2-SD 3.75Å; T478-L543 HydrophobicContact CG2-CD2 3.46Å; T478-L543 VanDerWaalsContact CG2-CD2 3.46Å; T478-L543 HydrophobicContact CG2-CG 3.85Å
479E92.6Very high90Very high90 Ų9040.2 Ų40.242%0.42119%0.186SC..Hα-helixtrans-57-51.5176.1-68.8173.5151.300110.8I475 R476 V477 C481 I482 D483 M542I475-E479 WeakPolarHBondContact O-CG 3.47Å; I475-E479 PolarHBondContact O-N 2.97Å; R476-E479 PolarHBondContact O-N 2.91Å; V477-E479 PolarHBondContact O-N 3.42Å; E479-C481 VanDerWaalsContact C-N 3.33Å; E479-C481 PolarHBondContact O-N 3.37Å; E479-I482 PolarHBondContact O-N 3.01Å; E479-D483 WeakPolarHBondContact O-CB 3.42Å; E479-D483 PolarHBondContact O-N 2.84Å; E479-M542 HydrophobicContact CG-CE 3.66Å; E479-M542 HydrophobicContact CG-SD 3.78Å
480F91.6Very high89.8Confident111 Ų11143.7 Ų43.749%0.48720%0.202SC..Hα-helixtrans-61.6-37.1176.3-64.5-47.5000113.5I451 A455 R476 V477 L484I451-F480 HydrophobicContact CG2-CB 4.2Å; A455-F480 HydrophobicContact CB-CD2 4.33Å; A455-F480 HydrophobicContact CB-CE2 4.39Å; R476-F480 WeakPolarHBondContact O-CD2 3.43Å; R476-F480 WeakPolarHBondContact O-CG 3.47Å; R476-F480 PolarHBondContact O-N 3.47Å; V477-F480 PolarHBondContact O-N 2.9Å; F480-L484 VanDerWaalsContact O-CB 3.23Å; F480-L484 WeakPolarHBondContact O-CB 3.26Å; F480-L484 PolarHBondContact O-N 2.89Å
481C93.6Very high89.3Confident0 Ų046 Ų460%021%0.213CC..Hα-helixtrans-65-44.5175.3-79.40000112.2V477 T478 E479 L485 F514 W515V477-C481 WeakPolarHBondContact O-CB 3.45Å; V477-C481 PolarHBondContact O-N 3.44Å; V477-C481 PolarHBondContact O-SG 2.94Å; V477-C481 VanDerWaalsContact O-SG 3.33Å; T478-C481 WeakPolarHBondContact O-CB 3.31Å; T478-C481 PolarHBondContact O-N 3.21Å; E479-C481 VanDerWaalsContact C-N 3.33Å; E479-C481 PolarHBondContact O-N 3.37Å; C481-L485 WeakPolarHBondContact O-CG 3.21Å; C481-L485 PolarHBondContact O-N 3.39Å; C481-L485 VanDerWaalsContact O-N 3.16Å; C481-F514 HydrophobicContact CB-CE1 3.75Å; C481-F514 HydrophobicContact CB-CZ 4.1Å; C481-W515 HydrophobicContact CB-CH2 3.66Å; C481-W515 HydrophobicContact CB-CZ3 3.91Å
482I93.6Very high88.8Confident11 Ų1146.1 Ų46.16%0.05621%0.214CC..Hα-helixtrans-64.7-48.2177.7-73.1171.5000110.5T478 E479 L484 L485 K486 W515 M542 F546T478-I482 HydrophobicContact CG2-CD1 3.83Å; T478-I482 HydrophobicContact CG2-CG1 4.36Å; T478-I482 WeakPolarHBondContact O-CB 3.33Å; T478-I482 WeakPolarHBondContact O-CG1 3.36Å; T478-I482 PolarHBondContact O-N 3.32Å; E479-I482 PolarHBondContact O-N 3.01Å; I482-L484 PolarHBondContact O-N 3.37Å; I482-L485 PolarHBondContact O-N 3.27Å; I482-K486 HydrophobicContact CG2-CD 3.98Å; I482-K486 WeakPolarHBondContact O-CG 3.39Å; I482-K486 PolarHBondContact O-N 3.09Å; I482-W515 HydrophobicContact CG1-CH2 4.03Å; I482-W515 HydrophobicContact CG1-CZ2 4.23Å; I482-M542 HydrophobicContact CD1-CG 3.84Å; I482-M542 HydrophobicContact CD1-SD 4.36Å; I482-F546 HydrophobicContact CD1-CB 3.81Å; I482-F546 HydrophobicContact CD1-CD1 4.4Å; I482-F546 HydrophobicContact CD1-CG 4.01Å; I482-F546 HydrophobicContact CG1-CB 4.19Å; I482-F546 HydrophobicContact CG1-CD1 3.9Å; I482-F546 HydrophobicContact CG1-CD2 4.22Å; I482-F546 HydrophobicContact CG1-CE1 4.38Å; I482-F546 HydrophobicContact CG1-CG 3.81Å; I482-F546 HydrophobicContact CG2-CD2 3.71Å; I482-F546 HydrophobicContact CG2-CE2 4Å; I482-F546 HydrophobicContact CG2-CG 4.15Å
483D91.2Very high88Confident90 Ų9041.9 Ų41.948%0.48119%0.194SC..Hα-helixtrans-64.3-41.4-179.2-73.1-12.7000111.3E479 L485 K486 E487E479-D483 WeakPolarHBondContact O-CB 3.42Å; E479-D483 PolarHBondContact O-N 2.84Å; D483-L485 VanDerWaalsContact C-N 3.34Å; D483-L485 PolarHBondContact O-N 3.2Å; D483-K486 PolarHBondContact O-N 2.83Å; D483-E487 WeakPolarHBondContact O-CB 3.42Å; D483-E487 WeakPolarHBondContact O-CG 3.27Å; D483-E487 PolarHBondContact O-N 3.44Å
484L90.4Very high87.3Confident11 Ų1149.1 Ų49.16%0.05823%0.228CC..Hα-helixtrans-58.8-43.2174.8-179145.7000112.2R396 N447 I451 F480 I482 N488 F514R396-L484 PolarHBondContact NH1-O 2.78Å; R396-L484 VanDerWaalsContact NH1-O 3.12Å; N447-L484 HydrophobicContact CB-CD1 4.25Å; N447-L484 HydrophobicContact CB-CD2 4.35Å; I451-L484 HydrophobicContact CD1-CB 4.01Å; I451-L484 HydrophobicContact CD1-CD1 3.56Å; I451-L484 HydrophobicContact CD1-CG 4.27Å; I451-L484 HydrophobicContact CG1-CD1 4.1Å; F480-L484 VanDerWaalsContact O-CB 3.23Å; F480-L484 WeakPolarHBondContact O-CB 3.26Å; F480-L484 PolarHBondContact O-N 2.89Å; I482-L484 PolarHBondContact O-N 3.37Å; L484-N488 VanDerWaalsContact O-CG 3.22Å; L484-N488 PolarHBondContact O-N 3.13Å; L484-N488 VanDerWaalsContact O-N 3.08Å; L484-N488 PolarHBondContact O-OD1 3.43Å; L484-F514 HydrophobicContact CD2-CE2 3.97Å; L484-F514 HydrophobicContact CD2-CZ 4.13Å
485L90.1Very high86.1Confident10 Ų1050.9 Ų50.95%0.05224%0.236CC..Hα-helixtrans-72.8-37.2-179.7-70.4178.1000112.5C481 I482 D483 N488 E489 F514 W515 F546C481-L485 WeakPolarHBondContact O-CG 3.21Å; C481-L485 PolarHBondContact O-N 3.39Å; C481-L485 VanDerWaalsContact O-N 3.16Å; I482-L485 PolarHBondContact O-N 3.27Å; D483-L485 VanDerWaalsContact C-N 3.34Å; D483-L485 PolarHBondContact O-N 3.2Å; L485-N488 WeakPolarHBondContact O-CB 3.27Å; L485-N488 PolarHBondContact O-N 3.43Å; L485-E489 PolarHBondContact O-N 2.96Å; L485-F514 HydrophobicContact CD1-CD1 3.93Å; L485-F514 HydrophobicContact CD1-CE1 4.11Å; L485-F514 HydrophobicContact CD2-CD1 4.27Å; L485-F514 HydrophobicContact CD2-CG 4.42Å; L485-F514 HydrophobicContact CG-CD1 4.26Å; L485-F514 HydrophobicContact CG-CE1 4.22Å; L485-W515 HydrophobicContact CD1-CD2 4.48Å; L485-W515 HydrophobicContact CD1-CZ2 3.65Å; L485-F546 HydrophobicContact CB-CZ 4.35Å; L485-F546 HydrophobicContact CD1-CE1 4.44Å
486K88.5Confident85Confident84 Ų8449.5 Ų49.537%0.36523%0.229SC..Hα-helixtrans-62.1-47.8172.6-74.6174.5179.9168.10111.8I482 D483 N488 E489 E490 F546I482-K486 HydrophobicContact CG2-CD 3.98Å; I482-K486 WeakPolarHBondContact O-CG 3.39Å; I482-K486 PolarHBondContact O-N 3.09Å; D483-K486 PolarHBondContact O-N 2.83Å; K486-N488 PolarHBondContact O-N 3.38Å; K486-E489 PolarHBondContact O-N 3.32Å; K486-E490 WeakPolarHBondContact O-CB 3.5Å; K486-E490 WeakPolarHBondContact O-CG 3.46Å; K486-E490 PolarHBondContact O-N 2.91Å; K486-F546 HydrophobicContact CG-CE2 4.1Å
487E85.6Confident84.2Confident68 Ų6851.4 Ų51.432%0.31824%0.236SC..Hα-helixtrans-57.6-39174.6-75.7-176.7156.100111.9R396 D483 H491R396-E487 IonicContact CZ-OE2 2.71Å; R396-E487 IonicContact NH1-OE2 3.58Å; R396-E487 PolarHBondContact NH1-OE2 3.33Å; R396-E487 IonicContact NH2-OE2 3.62Å; R396-E487 PolarHBondContact NH2-OE2 3.14Å; D483-E487 WeakPolarHBondContact O-CB 3.42Å; D483-E487 WeakPolarHBondContact O-CG 3.27Å; D483-E487 PolarHBondContact O-N 3.44Å; E487-H491 VanDerWaalsContact O-CB 3.32Å; E487-H491 WeakPolarHBondContact O-CB 3.43Å; E487-H491 PolarHBondContact O-N 3.47Å; E487-H491 PolarHBondContact O-ND1 2.88Å
488N85.2Confident82.9Confident3 Ų353.2 Ų53.22%0.01626%0.255CS..Hα-helixtrans-61.5-49.9175.9-75.5-11.9000111.8R396 L484 L485 K486 H492 G493R396-N488 WeakPolarHBondContact CD-OD1 3.4Å; R396-N488 VanDerWaalsContact CG-OD1 3.31Å; R396-N488 WeakPolarHBondContact CG-OD1 3.32Å; R396-N488 PolarHBondContact NH1-OD1 3.49Å; L484-N488 VanDerWaalsContact O-CG 3.22Å; L484-N488 PolarHBondContact O-N 3.13Å; L484-N488 VanDerWaalsContact O-N 3.08Å; L484-N488 PolarHBondContact O-OD1 3.43Å; L485-N488 WeakPolarHBondContact O-CB 3.27Å; L485-N488 PolarHBondContact O-N 3.43Å; K486-N488 PolarHBondContact O-N 3.38Å; N488-H492 CarbonylContact O-C 3.59Å; N488-H492 WeakPolarHBondContact O-CA 3.17Å; N488-H492 VanDerWaalsContact O-CB 3.29Å; N488-H492 WeakPolarHBondContact O-CB 3.41Å; N488-H492 PolarHBondContact O-N 3.05Å; N488-G493 PolarHBondContact O-N 3.21Å
489E82.5Confident81.6Confident56 Ų5654.5 Ų54.526%0.26227%0.266SS..Iπ-helixtrans-67.2-42.5-179-168.459.4-151.900111.6L485 K486 G493 R497 L507L485-E489 PolarHBondContact O-N 2.96Å; K486-E489 PolarHBondContact O-N 3.32Å; E489-G493 WeakPolarHBondContact O-CA 3.46Å; E489-G493 PolarHBondContact O-N 3.15Å; E489-G493 VanDerWaalsContact O-N 3.09Å; E489-R497 IonicContact OE1-CZ 3.66Å; E489-R497 VanDerWaalsContact OE1-CZ 3.29Å; E489-R497 IonicContact OE1-NE 3.59Å; E489-R497 PolarHBondContact OE1-NE 2.94Å; E489-R497 VanDerWaalsContact OE1-NE 3.11Å; E489-R497 IonicContact OE1-NH2 2.61Å; E489-R497 PolarHBondContact OE1-NH2 3.22Å; E489-L507 WeakPolarHBondContact OE2-CD2 3.49Å
490E82.8Confident80.5Confident140 Ų14051.8 Ų51.865%0.65425%0.253SS*.Iπ-helixtrans-64.4-46.8178.9-73.9-178.5178.100113.3K486K486-E490 WeakPolarHBondContact O-CB 3.5Å; K486-E490 WeakPolarHBondContact O-CG 3.46Å; K486-E490 PolarHBondContact O-N 2.91Å
491H78.8Confident79.5Confident68 Ų6851 Ų5132%0.31527%0.267SS..Iπ-helixtrans-99.2-27.6-168.1-64.967.9000113.5F401 E487F401-H491 AromaticContact CD1-CD2 3.83Å; F401-H491 AromaticContact CD1-NE2 3.83Å; E487-H491 VanDerWaalsContact O-CB 3.32Å; E487-H491 WeakPolarHBondContact O-CB 3.43Å; E487-H491 PolarHBondContact O-N 3.47Å; E487-H491 PolarHBondContact O-ND1 2.88Å
492H80Confident78.7Confident5 Ų553.3 Ų53.32%0.02328%0.276CS..Iπ-helixtrans-111.2-33.4-179.7-58.5-82.6000111.9F395 F399 L408 N488 E494 Q495 L496F395-H492 HydrophobicContact CD2-CB 4.27Å; F395-H492 AromaticContact CD2-CD2 3.86Å; F395-H492 AromaticContact CD2-CE1 3.77Å; F395-H492 AromaticContact CD2-CG 3.69Å; F395-H492 AromaticContact CD2-ND1 3.66Å; F395-H492 AromaticContact CD2-NE2 3.9Å; F395-H492 HydrophobicContact CE2-CB 4.09Å; F395-H492 AromaticContact CE2-CD2 3.7Å; F395-H492 AromaticContact CE2-CG 3.75Å; F399-H492 PolarHBondContact O-CE1 2.91Å; L408-H492 HydrophobicContact CD2-CB 4.36Å; N488-H492 CarbonylContact O-C 3.59Å; N488-H492 WeakPolarHBondContact O-CA 3.17Å; N488-H492 VanDerWaalsContact O-CB 3.29Å; N488-H492 WeakPolarHBondContact O-CB 3.41Å; N488-H492 PolarHBondContact O-N 3.05Å; H492-E494 PolarHBondContact O-N 2.91Å; H492-Q495 PolarHBondContact O-N 2.98Å; H492-Q495 VanDerWaalsContact O-N 3.12Å; H492-L496 HydrophobicContact CB-CD1 3.91Å; H492-L496 HydrophobicContact CB-CG 4.42Å; H492-L496 VanDerWaalsContact O-CB 3.26Å; H492-L496 WeakPolarHBondContact O-CB 3.08Å; H492-L496 WeakPolarHBondContact O-CG 3.5Å; H492-L496 PolarHBondContact O-N 3.4Å
493G73.2Confident78Confident0 Ų052.9 Ų52.90%027%0.274CS..Iπ-helixtrans-51.4-49.4-179.100000113.6N488 E489 L496 R497N488-G493 PolarHBondContact O-N 3.21Å; E489-G493 WeakPolarHBondContact O-CA 3.46Å; E489-G493 PolarHBondContact O-N 3.15Å; E489-G493 VanDerWaalsContact O-N 3.09Å; G493-L496 PolarHBondContact O-N 3.4Å; G493-R497 VanDerWaalsContact O-CB 3.29Å; G493-R497 WeakPolarHBondContact O-CB 3.49Å; G493-R497 WeakPolarHBondContact O-CD 3.5Å; G493-R497 WeakPolarHBondContact O-CG 3.32Å; G493-R497 PolarHBondContact O-N 3.24Å
494E72.9Confident77.4Confident162 Ų16250.2 Ų50.276%0.75726%0.262SS*.Hα-helixtrans-64.3-45.1176.8-170.8-179.9-17100112.6H492 L496 G498H492-E494 PolarHBondContact O-N 2.91Å; E494-L496 VanDerWaalsContact C-N 3.28Å; E494-L496 PolarHBondContact O-N 3.33Å; E494-G498 PolarHBondContact O-N 3.09Å
495Q68.2Low77.2Confident37 Ų3753.4 Ų53.417%0.17328%0.279CS..Hα-helixtrans-62.9-36.8179.6-63-163.69.700112.1G402 H492 G498 A499G402-Q495 PolarHBondContact O-NE2 3.13Å; H492-Q495 PolarHBondContact O-N 2.98Å; H492-Q495 VanDerWaalsContact O-N 3.12Å; Q495-G498 CarbonylContact O-C 3.49Å; Q495-A499 WeakPolarHBondContact O-CB 3.46Å; Q495-A499 PolarHBondContact O-N 3.31Å
496L69.2Low77Confident5 Ų553 Ų533%0.02628%0.277CS..Hα-helixtrans-74.1-49-179.8-70.2173.8000111.8L408 L412 H492 G493 E494 G498 A499 F500 F503 L507L408-L496 HydrophobicContact CD2-CD2 3.71Å; L408-L496 HydrophobicContact CD2-CG 4.08Å; L408-L496 HydrophobicContact CG-CD2 4Å; L412-L496 HydrophobicContact CD1-CD2 3.57Å; H492-L496 HydrophobicContact CB-CD1 3.91Å; H492-L496 HydrophobicContact CB-CG 4.42Å; H492-L496 VanDerWaalsContact O-CB 3.26Å; H492-L496 WeakPolarHBondContact O-CB 3.08Å; H492-L496 WeakPolarHBondContact O-CG 3.5Å; H492-L496 PolarHBondContact O-N 3.4Å; G493-L496 PolarHBondContact O-N 3.4Å; E494-L496 VanDerWaalsContact C-N 3.28Å; E494-L496 PolarHBondContact O-N 3.33Å; L496-G498 PolarHBondContact O-N 2.88Å; L496-A499 WeakPolarHBondContact O-CB 3.23Å; L496-A499 PolarHBondContact O-N 3.26Å; L496-F500 PolarHBondContact O-N 2.83Å; L496-F503 HydrophobicContact CB-CB 4.35Å; L496-F503 HydrophobicContact CB-CD1 3.66Å; L496-F503 HydrophobicContact CB-CE1 4.06Å; L496-F503 HydrophobicContact CB-CG 3.95Å; L496-F503 HydrophobicContact CD1-CD1 3.93Å; L496-F503 HydrophobicContact CD1-CE1 3.6Å; L496-F503 HydrophobicContact CD1-CZ 4.33Å; L496-F503 HydrophobicContact CD2-CD1 4Å; L496-F503 HydrophobicContact CD2-CD2 4.3Å; L496-F503 HydrophobicContact CD2-CE1 3.54Å; L496-F503 HydrophobicContact CD2-CE2 3.84Å; L496-F503 HydrophobicContact CD2-CG 4.36Å; L496-F503 HydrophobicContact CD2-CZ 3.45Å; L496-F503 VanDerWaalsContact CD2-CZ 3.45Å; L496-F503 HydrophobicContact CG-CD1 4.06Å; L496-F503 HydrophobicContact CG-CE1 3.91Å; L496-F503 HydrophobicContact CG-CZ 4.32Å; L496-L507 HydrophobicContact CD1-CD2 4.21Å
497R71.4Confident76.9Confident124 Ų12449.3 Ų49.347%0.46826%0.261SS..Hα-helixtrans-57.8-38.3171.3-69166.4-174.2-112.19.2111.1E489 G493 A499 F500 S504E489-R497 IonicContact OE1-CZ 3.66Å; E489-R497 VanDerWaalsContact OE1-CZ 3.29Å; E489-R497 IonicContact OE1-NE 3.59Å; E489-R497 PolarHBondContact OE1-NE 2.94Å; E489-R497 VanDerWaalsContact OE1-NE 3.11Å; E489-R497 IonicContact OE1-NH2 2.61Å; E489-R497 PolarHBondContact OE1-NH2 3.22Å; G493-R497 VanDerWaalsContact O-CB 3.29Å; G493-R497 WeakPolarHBondContact O-CB 3.49Å; G493-R497 WeakPolarHBondContact O-CD 3.5Å; G493-R497 WeakPolarHBondContact O-CG 3.32Å; G493-R497 PolarHBondContact O-N 3.24Å; R497-A499 VanDerWaalsContact C-N 3.3Å; R497-A499 PolarHBondContact O-N 3.03Å; R497-F500 CarbonylContact O-C 3.54Å; R497-S504 VanDerWaalsContact CZ-OG 3.32Å; R497-S504 PolarHBondContact NH1-OG 3.22Å; R497-S504 PolarHBondContact NH2-OG 3.43Å
498G65.8Low77Confident42 Ų4247.2 Ų47.243%0.43325%0.254SS..THydrogen-bonded Turntrans-74.4-12.2175.200000114.9K409 E494 Q495 L496K409-G498 VanDerWaalsContact CE-O 3.31Å; K409-G498 WeakPolarHBondContact CE-O 3.46Å; K409-G498 PolarHBondContact NZ-O 3.5Å; E494-G498 PolarHBondContact O-N 3.09Å; Q495-G498 CarbonylContact O-C 3.49Å; L496-G498 PolarHBondContact O-N 2.88Å
499A66.6Low77.2Confident27 Ų2749.9 Ų49.922%0.22327%0.268CS..THydrogen-bonded Turntrans-90.4-50.1170.900000111K409 L412 Q495 L496 R497K409-A499 HydrophobicContact CB-CB 4.22Å; K409-A499 HydrophobicContact CD-CB 4.29Å; K409-A499 HydrophobicContact CG-CB 3.9Å; L412-A499 HydrophobicContact CD1-CB 3.94Å; Q495-A499 WeakPolarHBondContact O-CB 3.46Å; Q495-A499 PolarHBondContact O-N 3.31Å; L496-A499 WeakPolarHBondContact O-CB 3.23Å; L496-A499 PolarHBondContact O-N 3.26Å; R497-A499 VanDerWaalsContact C-N 3.3Å; R497-A499 PolarHBondContact O-N 3.03Å
500F69.7Low77.6Confident34 Ų3447.3 Ų47.315%0.14926%0.256CS..  trans-141131.2177.5-59.3-71.3000111.6L412 V432 I436 L496 R497 W502 F503L412-F500 HydrophobicContact CB-CE2 4.06Å; V432-F500 HydrophobicContact CG1-CZ 4.33Å; I436-F500 HydrophobicContact CD1-CD2 4.41Å; I436-F500 HydrophobicContact CD1-CE2 3.97Å; L496-F500 PolarHBondContact O-N 2.83Å; R497-F500 CarbonylContact O-C 3.54Å; F500-W502 VanDerWaalsContact C-N 3.25Å; F500-W502 HydrophobicContact CB-CD2 4.01Å; F500-W502 HydrophobicContact CB-CE3 4.32Å; F500-W502 HydrophobicContact CB-CH2 4.1Å; F500-W502 HydrophobicContact CB-CZ2 3.79Å; F500-W502 HydrophobicContact CB-CZ3 4.34Å; F500-W502 HydrophobicContact CD1-CH2 4.44Å; F500-W502 AromaticContact CD1-CZ2 3.76Å; F500-W502 HydrophobicContact CD1-CZ2 3.76Å; F500-W502 AromaticContact CD2-CH2 3.85Å; F500-W502 HydrophobicContact CD2-CH2 3.85Å; F500-W502 AromaticContact CD2-CZ2 3.99Å; F500-W502 HydrophobicContact CD2-CZ2 3.99Å; F500-W502 HydrophobicContact CE1-CZ2 4.3Å; F500-W502 HydrophobicContact CE2-CH2 4.33Å; F500-W502 HydrophobicContact CE2-CZ2 4.48Å; F500-W502 AromaticContact CG-CH2 3.89Å; F500-W502 HydrophobicContact CG-CH2 3.89Å; F500-W502 AromaticContact CG-CZ2 3.58Å; F500-W502 HydrophobicContact CG-CZ2 3.58Å; F500-W502 PolarHBondContact O-N 2.92Å; F500-F503 HydrophobicContact CB-CB 4.37Å; F500-F503 HydrophobicContact CB-CD2 4.44Å; F500-F503 HydrophobicContact CD2-CD2 4.06Å; F500-F503 VanDerWaalsContact O-CB 3.29Å; F500-F503 WeakPolarHBondContact O-CB 3.41Å; F500-F503 PolarHBondContact O-N 3.38Å
501A70.3Confident78.1Confident94 Ų9441.4 Ų41.478%0.77723%0.23SC*.THydrogen-bonded Turntrans-62.2-29.4-177.400000114.1F503A501-F503 VanDerWaalsContact C-N 3.35Å
502W75.8Confident78.7Confident49 Ų4939.5 Ų39.519%0.18622%0.222CC..THydrogen-bonded Turntrans-85.70.4177.749.3-106.4000114.2R433 I436 F500 S504 D505 L506R433-W502 HydrophobicContact CB-CE3 4.27Å; R433-W502 HydrophobicContact CB-CH2 3.89Å; R433-W502 HydrophobicContact CB-CZ2 4.14Å; R433-W502 HydrophobicContact CB-CZ3 3.96Å; R433-W502 HydrophobicContact CG-CD2 4.26Å; R433-W502 HydrophobicContact CG-CE3 3.76Å; R433-W502 HydrophobicContact CG-CH2 4.24Å; R433-W502 HydrophobicContact CG-CZ3 3.77Å; I436-W502 HydrophobicContact CD1-CH2 3.95Å; F500-W502 VanDerWaalsContact C-N 3.25Å; F500-W502 HydrophobicContact CB-CD2 4.01Å; F500-W502 HydrophobicContact CB-CE3 4.32Å; F500-W502 HydrophobicContact CB-CH2 4.1Å; F500-W502 HydrophobicContact CB-CZ2 3.79Å; F500-W502 HydrophobicContact CB-CZ3 4.34Å; F500-W502 HydrophobicContact CD1-CH2 4.44Å; F500-W502 AromaticContact CD1-CZ2 3.76Å; F500-W502 HydrophobicContact CD1-CZ2 3.76Å; F500-W502 AromaticContact CD2-CH2 3.85Å; F500-W502 HydrophobicContact CD2-CH2 3.85Å; F500-W502 AromaticContact CD2-CZ2 3.99Å; F500-W502 HydrophobicContact CD2-CZ2 3.99Å; F500-W502 HydrophobicContact CE1-CZ2 4.3Å; F500-W502 HydrophobicContact CE2-CH2 4.33Å; F500-W502 HydrophobicContact CE2-CZ2 4.48Å; F500-W502 AromaticContact CG-CH2 3.89Å; F500-W502 HydrophobicContact CG-CH2 3.89Å; F500-W502 AromaticContact CG-CZ2 3.58Å; F500-W502 HydrophobicContact CG-CZ2 3.58Å; F500-W502 PolarHBondContact O-N 2.92Å; W502-S504 PolarHBondContact O-N 3.43Å; W502-D505 PolarHBondContact O-N 3.49Å; W502-L506 HydrophobicContact CE3-CD1 3.97Å; W502-L506 HydrophobicContact CE3-CG 4.3Å; W502-L506 HydrophobicContact CZ3-CD1 3.61Å; W502-L506 HydrophobicContact CZ3-CG 4.43Å
503F80.4Confident79.4Confident2 Ų241.8 Ų41.81%0.00923%0.233CC..Hα-helixtrans-68.7-27.2-179.5-145.4-71.5000112L412 I436 L440 L496 F500 A501 D505 L506 L507L412-F503 HydrophobicContact CD1-CD2 4.4Å; L412-F503 HydrophobicContact CD1-CE2 3.76Å; L412-F503 HydrophobicContact CD1-CZ 4.37Å; L412-F503 HydrophobicContact CD2-CE2 3.99Å; I436-F503 HydrophobicContact CD1-CE2 4.28Å; I436-F503 HydrophobicContact CG2-CD2 4.16Å; I436-F503 HydrophobicContact CG2-CE1 4.41Å; I436-F503 HydrophobicContact CG2-CE2 3.31Å; I436-F503 HydrophobicContact CG2-CZ 3.45Å; I436-F503 VanDerWaalsContact CG2-CZ 3.45Å; L440-F503 HydrophobicContact CD1-CD1 4.4Å; L440-F503 HydrophobicContact CD1-CE1 3.53Å; L440-F503 HydrophobicContact CD1-CZ 3.76Å; L440-F503 HydrophobicContact CD2-CE1 4.15Å; L440-F503 HydrophobicContact CD2-CZ 4.35Å; L440-F503 HydrophobicContact CG-CE1 4.4Å; L440-F503 HydrophobicContact CG-CZ 4.43Å; L496-F503 HydrophobicContact CB-CB 4.35Å; L496-F503 HydrophobicContact CB-CD1 3.66Å; L496-F503 HydrophobicContact CB-CE1 4.06Å; L496-F503 HydrophobicContact CB-CG 3.95Å; L496-F503 HydrophobicContact CD1-CD1 3.93Å; L496-F503 HydrophobicContact CD1-CE1 3.6Å; L496-F503 HydrophobicContact CD1-CZ 4.33Å; L496-F503 HydrophobicContact CD2-CD1 4Å; L496-F503 HydrophobicContact CD2-CD2 4.3Å; L496-F503 HydrophobicContact CD2-CE1 3.54Å; L496-F503 HydrophobicContact CD2-CE2 3.84Å; L496-F503 HydrophobicContact CD2-CG 4.36Å; L496-F503 HydrophobicContact CD2-CZ 3.45Å; L496-F503 VanDerWaalsContact CD2-CZ 3.45Å; L496-F503 HydrophobicContact CG-CD1 4.06Å; L496-F503 HydrophobicContact CG-CE1 3.91Å; L496-F503 HydrophobicContact CG-CZ 4.32Å; F500-F503 HydrophobicContact CB-CB 4.37Å; F500-F503 HydrophobicContact CB-CD2 4.44Å; F500-F503 HydrophobicContact CD2-CD2 4.06Å; F500-F503 VanDerWaalsContact O-CB 3.29Å; F500-F503 WeakPolarHBondContact O-CB 3.41Å; F500-F503 PolarHBondContact O-N 3.38Å; A501-F503 VanDerWaalsContact C-N 3.35Å; F503-D505 VanDerWaalsContact C-N 3.25Å; F503-D505 PolarHBondContact O-N 2.97Å; F503-L506 PolarHBondContact O-N 1.89Å; F503-L506 VanDerWaalsContact O-N 3.08Å; F503-L507 PolarHBondContact O-N 3.14Å
504S78.6Confident80.4Confident33 Ų3341.8 Ų41.823%0.23123%0.233CC..Hα-helixtrans-56.2-40.8175.5-160.50000111.9R497 W502 L507 S508R497-S504 VanDerWaalsContact CZ-OG 3.32Å; R497-S504 PolarHBondContact NH1-OG 3.22Å; R497-S504 PolarHBondContact NH2-OG 3.43Å; W502-S504 PolarHBondContact O-N 3.43Å; S504-L507 PolarHBondContact O-N 2.96Å; S504-S508 PolarHBondContact O-N 3.3Å; S504-S508 VanDerWaalsContact O-N 3.08Å
505D85.1Confident81.4Confident78 Ų7834.1 Ų34.142%0.41720%0.197SC..Hα-helixtrans-61.6-46.8175.8-45.6-11.2000110.6R433 W502 F503 L507 S508 D509R433-D505 IonicContact CZ-OD2 3.62Å; R433-D505 IonicContact NH1-OD2 3.93Å; R433-D505 VanDerWaalsContact NH2-CB 3.3Å; R433-D505 IonicContact NH2-OD2 3.17Å; R433-D505 PolarHBondContact NH2-OD2 3.45Å; W502-D505 PolarHBondContact O-N 3.49Å; F503-D505 VanDerWaalsContact C-N 3.25Å; F503-D505 PolarHBondContact O-N 2.97Å; D505-L507 VanDerWaalsContact C-N 3.32Å; D505-L507 PolarHBondContact O-N 3.38Å; D505-S508 VanDerWaalsContact O-CB 3.29Å; D505-S508 WeakPolarHBondContact O-CB 3.27Å; D505-S508 PolarHBondContact O-N 2.68Å; D505-D509 PolarHBondContact O-N 3.1Å
506L87Confident82.6Confident2 Ų235.3 Ų35.31%0.0121%0.21CC..Hα-helixtrans-69-29.6-178-63.3-170.1000113.1R433 I436 R437 L440 W502 F503 D509 H510R433-L506 HydrophobicContact CG-CD1 4.05Å; R433-L506 HydrophobicContact CG-CD2 4.28Å; R433-L506 HydrophobicContact CG-CG 4.46Å; I436-L506 HydrophobicContact CB-CD1 4.34Å; I436-L506 HydrophobicContact CG2-CD1 3.67Å; R437-L506 HydrophobicContact CB-CD1 4.27Å; R437-L506 HydrophobicContact CB-CD2 3.98Å; R437-L506 HydrophobicContact CG-CD2 4.33Å; R437-L506 VanDerWaalsContact NH2-CD2 3.32Å; L440-L506 HydrophobicContact CD1-CB 3.62Å; L440-L506 HydrophobicContact CD1-CD1 4.1Å; W502-L506 HydrophobicContact CE3-CD1 3.97Å; W502-L506 HydrophobicContact CE3-CG 4.3Å; W502-L506 HydrophobicContact CZ3-CD1 3.61Å; W502-L506 HydrophobicContact CZ3-CG 4.43Å; F503-L506 PolarHBondContact O-N 1.89Å; F503-L506 VanDerWaalsContact O-N 3.08Å; L506-D509 PolarHBondContact O-N 2.94Å; L506-H510 WeakPolarHBondContact O-CB 3.41Å; L506-H510 PolarHBondContact O-N 2.9Å
507L85.8Confident83.7Confident6 Ų637.4 Ų37.43%0.03122%0.221CC..Hα-helixtrans-74.8-30.2175.1-168.258000111.2E489 L496 F503 S504 D505 S511E489-L507 WeakPolarHBondContact OE2-CD2 3.49Å; L496-L507 HydrophobicContact CD1-CD2 4.21Å; F503-L507 PolarHBondContact O-N 3.14Å; S504-L507 PolarHBondContact O-N 2.96Å; D505-L507 VanDerWaalsContact C-N 3.32Å; D505-L507 PolarHBondContact O-N 3.38Å; L507-S511 WeakPolarHBondContact O-CB 3.49Å; L507-S511 PolarHBondContact O-N 2.99Å; L507-S511 VanDerWaalsContact O-N 3.09Å; L507-S511 PolarHBondContact O-OG 3.38Å
508S87.8Confident84.8Confident24 Ų2431.5 Ų31.517%0.16820%0.198CC..Hα-helixtrans-65.8-47.4166.1-159.90000111.4S504 D505 H510 S511 E512S504-S508 PolarHBondContact O-N 3.3Å; S504-S508 VanDerWaalsContact O-N 3.08Å; D505-S508 VanDerWaalsContact O-CB 3.29Å; D505-S508 WeakPolarHBondContact O-CB 3.27Å; D505-S508 PolarHBondContact O-N 2.68Å; S508-H510 VanDerWaalsContact C-N 3.33Å; S508-H510 PolarHBondContact O-N 3.03Å; S508-S511 PolarHBondContact O-N 3.02Å; S508-S511 VanDerWaalsContact O-N 3.09Å; S508-E512 PolarHBondContact O-N 2.74Å
509D89.5Confident86.1Confident60 Ų6029.6 Ų29.632%0.32118%0.179SC..Hα-helixtrans-58.4-43.9176.1-66.3-27.5000111.2R437 D505 L506 S511 E512 I513R437-D509 IonicContact CZ-OD2 3.55Å; R437-D509 IonicContact NH1-OD2 2.65Å; R437-D509 PolarHBondContact NH1-OD2 3.3Å; R437-D509 IonicContact NH2-OD2 2.68Å; R437-D509 PolarHBondContact NH2-OD2 3.44Å; D505-D509 PolarHBondContact O-N 3.1Å; L506-D509 PolarHBondContact O-N 2.94Å; D509-S511 VanDerWaalsContact C-N 3.32Å; D509-S511 PolarHBondContact O-N 2.82Å; D509-E512 PolarHBondContact O-N 2.82Å; D509-I513 VanDerWaalsContact O-CG1 3.31Å; D509-I513 WeakPolarHBondContact O-CG1 3.33Å; D509-I513 PolarHBondContact O-N 3.26Å
510H91.5Very high87.3Confident2 Ų233 Ų331%0.00920%0.196CC..Hα-helixtrans-56.3-44.8172.917184.8000112.3L440 A444 L506 S508 I513 F514L440-H510 HydrophobicContact CB-CB 4.29Å; L440-H510 PolarHBondContact O-ND1 3.45Å; A444-H510 VanDerWaalsContact CA-CE1 3.45Å; A444-H510 WeakPolarHBondContact CA-CE1 3.4Å; A444-H510 PolarHBondContact N-CE1 2.97Å; A444-H510 VanDerWaalsContact N-CE1 3.32Å; A444-H510 PolarHBondContact N-ND1 2.87Å; L506-H510 WeakPolarHBondContact O-CB 3.41Å; L506-H510 PolarHBondContact O-N 2.9Å; S508-H510 VanDerWaalsContact C-N 3.33Å; S508-H510 PolarHBondContact O-N 3.03Å; H510-I513 PolarHBondContact O-N 2.78Å; H510-F514 WeakPolarHBondContact O-CB 3.47Å; H510-F514 PolarHBondContact O-N 2.84Å
511S92.3Very high88.3Confident15 Ų1533.6 Ų33.611%0.10520%0.201CC..Hα-helixtrans-70-39.4-178-58.80000112L507 S508 D509 F514 W515L507-S511 WeakPolarHBondContact O-CB 3.49Å; L507-S511 PolarHBondContact O-N 2.99Å; L507-S511 VanDerWaalsContact O-N 3.09Å; L507-S511 PolarHBondContact O-OG 3.38Å; S508-S511 PolarHBondContact O-N 3.02Å; S508-S511 VanDerWaalsContact O-N 3.09Å; D509-S511 VanDerWaalsContact C-N 3.32Å; D509-S511 PolarHBondContact O-N 2.82Å; S511-F514 PolarHBondContact O-N 3.5Å; S511-W515 PolarHBondContact O-N 2.6Å
512E92.6Very high89.4Confident29 Ų2929.1 Ų29.114%0.13616%0.164CC..Hα-helixtrans-63.1-41.9171.8-77.3-81.1-161.200112S508 D509 W515 S516 L553 G556 I557 F558S508-E512 PolarHBondContact O-N 2.74Å; D509-E512 PolarHBondContact O-N 2.82Å; E512-W515 PolarHBondContact O-N 3.09Å; E512-S516 WeakPolarHBondContact O-CB 3.41Å; E512-S516 PolarHBondContact O-N 3.13Å; E512-L553 HydrophobicContact CG-CD2 4.05Å; E512-G556 VanDerWaalsContact OE1-C 3.31Å; E512-G556 WeakPolarHBondContact OE1-CA 3.31Å; E512-I557 PolarHBondContact OE1-N 3.45Å; E512-I557 PolarHBondContact OE2-N 3.05Å; E512-F558 PolarHBondContact OE2-N 3.46Å
513I93.1Very high90.1Very high53 Ų5328.6 Ų28.627%0.27217%0.165SC..Hα-helixtrans-65-44.5175.7-68.4169.2000110.6E441 A444 D509 H510 W515 S516 L517E441-I513 HydrophobicContact CB-CD1 4.27Å; E441-I513 HydrophobicContact CG-CD1 3.64Å; A444-I513 HydrophobicContact CB-CB 4.16Å; A444-I513 HydrophobicContact CB-CG2 3.76Å; D509-I513 VanDerWaalsContact O-CG1 3.31Å; D509-I513 WeakPolarHBondContact O-CG1 3.33Å; D509-I513 PolarHBondContact O-N 3.26Å; H510-I513 PolarHBondContact O-N 2.78Å; I513-W515 VanDerWaalsContact C-N 3.34Å; I513-W515 PolarHBondContact O-N 3.32Å; I513-S516 WeakPolarHBondContact CA-OG 3.24Å; I513-S516 WeakPolarHBondContact O-CB 3.45Å; I513-S516 PolarHBondContact O-N 2.97Å; I513-S516 VanDerWaalsContact O-N 3.1Å; I513-S516 PolarHBondContact O-OG 3.18Å; I513-L517 WeakPolarHBondContact O-CG 3.24Å; I513-L517 PolarHBondContact O-N 3.04Å
514F94.4Very high90.6Very high0 Ų031 Ų310%018%0.182CC..Hα-helixtrans-57.6-45.7175.5179.2-84.6000111.6A444 N447 Y448 I451 C481 L484 L485 H510 S511 S516 L517 Y518A444-F514 HydrophobicContact CB-CB 4.16Å; N447-F514 HydrophobicContact CB-CD2 4.29Å; N447-F514 HydrophobicContact CB-CE2 4.09Å; Y448-F514 HydrophobicContact CD2-CD2 4.48Å; Y448-F514 HydrophobicContact CD2-CE1 4.42Å; Y448-F514 HydrophobicContact CD2-CE2 4.04Å; Y448-F514 HydrophobicContact CD2-CZ 4.01Å; Y448-F514 HydrophobicContact CG-CE2 4.48Å; I451-F514 HydrophobicContact CD1-CE2 4.27Å; I451-F514 HydrophobicContact CD1-CZ 3.8Å; C481-F514 HydrophobicContact CB-CE1 3.75Å; C481-F514 HydrophobicContact CB-CZ 4.1Å; L484-F514 HydrophobicContact CD2-CE2 3.97Å; L484-F514 HydrophobicContact CD2-CZ 4.13Å; L485-F514 HydrophobicContact CD1-CD1 3.93Å; L485-F514 HydrophobicContact CD1-CE1 4.11Å; L485-F514 HydrophobicContact CD2-CD1 4.27Å; L485-F514 HydrophobicContact CD2-CG 4.42Å; L485-F514 HydrophobicContact CG-CD1 4.26Å; L485-F514 HydrophobicContact CG-CE1 4.22Å; H510-F514 WeakPolarHBondContact O-CB 3.47Å; H510-F514 PolarHBondContact O-N 2.84Å; S511-F514 PolarHBondContact O-N 3.5Å; F514-S516 VanDerWaalsContact C-N 3.34Å; F514-S516 PolarHBondContact O-N 3.2Å; F514-L517 PolarHBondContact O-N 3.37Å; F514-Y518 PolarHBondContact O-N 3.25Å; F514-Y518 VanDerWaalsContact O-N 3.09Å
515W94.9Very high91.1Very high1 Ų129.5 Ų29.50%0.00417%0.171CC..Hα-helixtrans-67.9-30.9174.7-75124000113.4C481 I482 L485 S511 E512 I513 L517 Y518 S519 L543 F546 F558C481-W515 HydrophobicContact CB-CH2 3.66Å; C481-W515 HydrophobicContact CB-CZ3 3.91Å; I482-W515 HydrophobicContact CG1-CH2 4.03Å; I482-W515 HydrophobicContact CG1-CZ2 4.23Å; L485-W515 HydrophobicContact CD1-CD2 4.48Å; L485-W515 HydrophobicContact CD1-CZ2 3.65Å; S511-W515 PolarHBondContact O-N 2.6Å; E512-W515 PolarHBondContact O-N 3.09Å; I513-W515 VanDerWaalsContact C-N 3.34Å; I513-W515 PolarHBondContact O-N 3.32Å; W515-L517 VanDerWaalsContact C-N 3.33Å; W515-L517 PolarHBondContact O-N 3.23Å; W515-Y518 AromaticContact CE3-CD1 3.51Å; W515-Y518 HydrophobicContact CE3-CD1 3.51Å; W515-Y518 HydrophobicContact CE3-CE1 4.16Å; W515-Y518 AromaticContact CE3-CG 3.78Å; W515-Y518 HydrophobicContact CE3-CG 3.78Å; W515-Y518 AromaticContact CZ3-CD1 3.67Å; W515-Y518 HydrophobicContact CZ3-CD1 3.67Å; W515-Y518 HydrophobicContact CZ3-CD2 4.24Å; W515-Y518 AromaticContact CZ3-CE1 3.94Å; W515-Y518 HydrophobicContact CZ3-CE1 3.94Å; W515-Y518 HydrophobicContact CZ3-CE2 4.48Å; W515-Y518 AromaticContact CZ3-CG 3.83Å; W515-Y518 HydrophobicContact CZ3-CG 3.83Å; W515-Y518 PolarHBondContact O-N 2.85Å; W515-S519 WeakPolarHBondContact O-CB 3.49Å; W515-S519 PolarHBondContact O-N 2.96Å; W515-L543 HydrophobicContact CE3-CD2 4.5Å; W515-L543 HydrophobicContact CH2-CD2 4.06Å; W515-L543 HydrophobicContact CZ3-CD2 3.83Å; W515-F546 AromaticContact CZ2-CD1 3.88Å; W515-F546 HydrophobicContact CZ2-CD1 3.88Å; W515-F546 AromaticContact CZ2-CE1 3.58Å; W515-F546 HydrophobicContact CZ2-CE1 3.58Å; W515-F546 AromaticContact NE1-CE1 3.91Å; W515-F558 HydrophobicContact CB-CB 3.82Å; W515-F558 HydrophobicContact CB-CD1 3.62Å; W515-F558 HydrophobicContact CB-CD2 4.04Å; W515-F558 HydrophobicContact CB-CE1 4.14Å; W515-F558 HydrophobicContact CB-CG 3.55Å; W515-F558 HydrophobicContact CD2-CD1 4.1Å; W515-F558 AromaticContact CD2-CE1 3.94Å; W515-F558 HydrophobicContact CD2-CE1 3.94Å; W515-F558 HydrophobicContact CE3-CD1 4.37Å; W515-F558 AromaticContact CE3-CE1 3.78Å; W515-F558 HydrophobicContact CE3-CE1 3.78Å; W515-F558 HydrophobicContact CE3-CZ 4.06Å; W515-F558 AromaticContact CG-CD1 3.78Å; W515-F558 HydrophobicContact CG-CD1 3.78Å; W515-F558 HydrophobicContact CG-CE1 4.11Å; W515-F558 HydrophobicContact CG-CG 4.24Å
516S92.6Very high91.3Very high62 Ų6227 Ų2743%0.43416%0.158SC..Hα-helixtrans-65.8-34.8173.982.40000112.6E512 I513 F514 S519E512-S516 WeakPolarHBondContact O-CB 3.41Å; E512-S516 PolarHBondContact O-N 3.13Å; I513-S516 WeakPolarHBondContact CA-OG 3.24Å; I513-S516 WeakPolarHBondContact O-CB 3.45Å; I513-S516 PolarHBondContact O-N 2.97Å; I513-S516 VanDerWaalsContact O-N 3.1Å; I513-S516 PolarHBondContact O-OG 3.18Å; F514-S516 VanDerWaalsContact C-N 3.34Å; F514-S516 PolarHBondContact O-N 3.2Å; S516-S519 WeakPolarHBondContact O-CB 3.31Å; S516-S519 PolarHBondContact O-N 3.16Å
517L93.1Very high91.4Very high48 Ų4834.7 Ų34.725%0.25119%0.194SC..Hα-helixtrans-68.4-50.7173-65.5169.9000110.4L445 Y448 I513 F514 W515 S519 V520L445-L517 HydrophobicContact CB-CD1 4.24Å; L445-L517 HydrophobicContact CD1-CD1 4.04Å; L445-L517 HydrophobicContact CD1-CD2 4.23Å; Y448-L517 HydrophobicContact CD1-CB 3.65Å; Y448-L517 HydrophobicContact CD1-CD1 4.45Å; Y448-L517 HydrophobicContact CE1-CB 4.14Å; Y448-L517 HydrophobicContact CG-CB 3.99Å; Y448-L517 HydrophobicContact CG-CD1 4.48Å; I513-L517 WeakPolarHBondContact O-CG 3.24Å; I513-L517 PolarHBondContact O-N 3.04Å; F514-L517 PolarHBondContact O-N 3.37Å; W515-L517 VanDerWaalsContact C-N 3.33Å; W515-L517 PolarHBondContact O-N 3.23Å; L517-S519 PolarHBondContact O-N 3Å; L517-V520 WeakPolarHBondContact O-CB 3.45Å; L517-V520 PolarHBondContact O-N 2.92Å
518Y94.2Very high91.5Very high0 Ų037.6 Ų37.60%021%0.212CC..Hα-helixtrans-53.4-36.1173.5170-92.1000112.9Y448 M474 V477 T478 F514 W515 V520 D521 L522 L543 F558Y448-Y518 HydrophobicContact CE2-CD2 4.07Å; Y448-Y518 HydrophobicContact CE2-CG 4.39Å; M474-Y518 HydrophobicContact SD-CD2 4.41Å; M474-Y518 HydrophobicContact SD-CE2 3.49Å; M474-Y518 WeakPolarHBondContact SD-CE2 3.24Å; V477-Y518 HydrophobicContact CG1-CD2 4.15Å; V477-Y518 HydrophobicContact CG1-CE2 4.02Å; T478-Y518 PolarHBondContact OG1-OH 3.48Å; F514-Y518 PolarHBondContact O-N 3.25Å; F514-Y518 VanDerWaalsContact O-N 3.09Å; W515-Y518 AromaticContact CE3-CD1 3.51Å; W515-Y518 HydrophobicContact CE3-CD1 3.51Å; W515-Y518 HydrophobicContact CE3-CE1 4.16Å; W515-Y518 AromaticContact CE3-CG 3.78Å; W515-Y518 HydrophobicContact CE3-CG 3.78Å; W515-Y518 AromaticContact CZ3-CD1 3.67Å; W515-Y518 HydrophobicContact CZ3-CD1 3.67Å; W515-Y518 HydrophobicContact CZ3-CD2 4.24Å; W515-Y518 AromaticContact CZ3-CE1 3.94Å; W515-Y518 HydrophobicContact CZ3-CE1 3.94Å; W515-Y518 HydrophobicContact CZ3-CE2 4.48Å; W515-Y518 AromaticContact CZ3-CG 3.83Å; W515-Y518 HydrophobicContact CZ3-CG 3.83Å; W515-Y518 PolarHBondContact O-N 2.85Å; Y518-V520 PolarHBondContact O-N 2.87Å; Y518-D521 PolarHBondContact O-N 3.41Å; Y518-L522 HydrophobicContact CD1-CB 4.45Å; Y518-L522 HydrophobicContact CE1-CB 4.03Å; Y518-L522 HydrophobicContact CE1-CD2 4.01Å; Y518-L522 HydrophobicContact CE1-CG 4.44Å; Y518-L522 PolarHBondContact O-N 3.39Å; Y518-L543 HydrophobicContact CE1-CD1 4.23Å; Y518-L543 HydrophobicContact CE1-CD2 4.02Å; Y518-F558 HydrophobicContact CD1-CE2 4.14Å; Y518-F558 AromaticContact CD1-CZ 3.74Å; Y518-F558 HydrophobicContact CD1-CZ 3.74Å; Y518-F558 AromaticContact CE1-CZ 3.89Å; Y518-F558 HydrophobicContact CE1-CZ 3.89Å
519S93.3Very high91.5Very high3 Ų337.6 Ų37.62%0.02121%0.209CC..Hα-helixtrans-61.1-26.5179.7-167.80000113.8W515 S516 L517 D523 K561W515-S519 WeakPolarHBondContact O-CB 3.49Å; W515-S519 PolarHBondContact O-N 2.96Å; S516-S519 WeakPolarHBondContact O-CB 3.31Å; S516-S519 PolarHBondContact O-N 3.16Å; L517-S519 PolarHBondContact O-N 3Å; S519-D523 WeakPolarHBondContact O-CB 3.12Å; S519-D523 PolarHBondContact O-N 3.47Å; S519-K561 WeakPolarHBondContact OG-CE 3.37Å; S519-K561 PolarHBondContact OG-NZ 3.27Å
520V91.8Very high91.3Very high97 Ų9738.5 Ų38.559%0.58822%0.218SC*.Hα-helixtrans-68.9-45.3179.2-179.20000110.4L517 Y518 D523 S524L517-V520 WeakPolarHBondContact O-CB 3.45Å; L517-V520 PolarHBondContact O-N 2.92Å; Y518-V520 PolarHBondContact O-N 2.87Å; V520-D523 PolarHBondContact O-N 3.49Å; V520-S524 PolarHBondContact O-N 3.48Å; V520-S524 VanDerWaalsContact O-N 3.14Å
521D90.8Very high90.5Very high48 Ų4845.8 Ų45.826%0.25725%0.252SS..Hα-helixtrans-72.1-34.3177.1-68.8-63.5000111.7Y448 M474 Y518 S524 A525Y448-D521 PolarHBondContact OH-OD2 3.06Å; M474-D521 VanDerWaalsContact CE-C 3.47Å; M474-D521 HydrophobicContact CE-CB 3.96Å; M474-D521 VanDerWaalsContact CE-O 3.28Å; M474-D521 WeakPolarHBondContact CE-O 3.44Å; Y518-D521 PolarHBondContact O-N 3.41Å; D521-S524 PolarHBondContact O-N 2.96Å; D521-A525 WeakPolarHBondContact O-CB 3.07Å; D521-A525 PolarHBondContact O-N 3.4Å
522L92.3Very high90Very high0 Ų049 Ų490%027%0.268CS..Hα-helixtrans-59.8-49.1170.6177.464.6000111.8M474 Y518 S524 A525 L526 L539 L543 F558 I562M474-L522 HydrophobicContact CG-CD1 4.17Å; Y518-L522 HydrophobicContact CD1-CB 4.45Å; Y518-L522 HydrophobicContact CE1-CB 4.03Å; Y518-L522 HydrophobicContact CE1-CD2 4.01Å; Y518-L522 HydrophobicContact CE1-CG 4.44Å; Y518-L522 PolarHBondContact O-N 3.39Å; L522-S524 VanDerWaalsContact C-N 3.33Å; L522-S524 PolarHBondContact O-N 3.25Å; L522-A525 WeakPolarHBondContact O-CB 3.13Å; L522-A525 PolarHBondContact O-N 2.89Å; L522-A525 VanDerWaalsContact O-N 3.15Å; L522-L526 HydrophobicContact CD1-CD1 3.9Å; L522-L526 HydrophobicContact CD1-CG 4.16Å; L522-L526 HydrophobicContact CG-CD1 3.9Å; L522-L526 HydrophobicContact CG-CG 4.48Å; L522-L526 WeakPolarHBondContact O-CG 3.31Å; L522-L526 PolarHBondContact O-N 3.16Å; L522-L539 HydrophobicContact CD1-CD2 3.64Å; L522-L539 HydrophobicContact CD1-CG 4.36Å; L522-L543 HydrophobicContact CD2-CD1 4.26Å; L522-F558 HydrophobicContact CD2-CE2 4.43Å; L522-F558 HydrophobicContact CD2-CZ 4.34Å; L522-I562 HydrophobicContact CD2-CG2 4.06Å
523D91.9Very high89.6Confident37 Ų3748.5 Ų48.520%0.19827%0.267CS..Hα-helixtrans-58.9-46.3178.7-71.4-22.8000110.3S519 V520 A525 L526 E527 K561 Q565S519-D523 WeakPolarHBondContact O-CB 3.12Å; S519-D523 PolarHBondContact O-N 3.47Å; V520-D523 PolarHBondContact O-N 3.49Å; D523-A525 VanDerWaalsContact C-N 3.31Å; D523-A525 PolarHBondContact O-N 3.36Å; D523-L526 PolarHBondContact O-N 2.68Å; D523-L526 VanDerWaalsContact O-N 3.12Å; D523-E527 WeakPolarHBondContact O-CG 3.47Å; D523-E527 PolarHBondContact O-N 3.01Å; D523-K561 IonicContact OD1-NZ 3.61Å; D523-K561 IonicContact OD2-NZ 3.61Å; D523-K561 PolarHBondContact OD2-NZ 3.32Å; D523-Q565 PolarHBondContact OD1-NE2 3.08Å
524S89.6Confident89.4Confident54 Ų5448.8 Ų48.838%0.37827%0.265SS..Hα-helixtrans-60.4-34.9175.7-175.10000113.6V520 D521 L522V520-S524 PolarHBondContact O-N 3.48Å; V520-S524 VanDerWaalsContact O-N 3.14Å; D521-S524 PolarHBondContact O-N 2.96Å; L522-S524 VanDerWaalsContact C-N 3.33Å; L522-S524 PolarHBondContact O-N 3.25Å
525A89.3Confident89Confident0 Ų053 Ų530%029%0.288CS..Hα-helixtrans-70.2-35.5174.900000112.8M461 I471 M474 D521 L522 D523 Q529M461-A525 HydrophobicContact CE-CB 3.46Å; M461-A525 VanDerWaalsContact CE-CB 3.46Å; I471-A525 HydrophobicContact CD1-CB 4.32Å; M474-A525 HydrophobicContact CE-CB 3.85Å; D521-A525 WeakPolarHBondContact O-CB 3.07Å; D521-A525 PolarHBondContact O-N 3.4Å; L522-A525 WeakPolarHBondContact O-CB 3.13Å; L522-A525 PolarHBondContact O-N 2.89Å; L522-A525 VanDerWaalsContact O-N 3.15Å; D523-A525 VanDerWaalsContact C-N 3.31Å; D523-A525 PolarHBondContact O-N 3.36Å; A525-Q529 PolarHBondContact O-NE2 3.13Å
526L90.1Very high88.9Confident25 Ų2553.1 Ų53.113%0.13129%0.289CS..Hα-helixtrans-81-37.3-178.6-67.8174.3000112.8I471 L522 D523 V528 Q529 Q565 F566I471-L526 HydrophobicContact CD1-CD2 4.11Å; L522-L526 HydrophobicContact CD1-CD1 3.9Å; L522-L526 HydrophobicContact CD1-CG 4.16Å; L522-L526 HydrophobicContact CG-CD1 3.9Å; L522-L526 HydrophobicContact CG-CG 4.48Å; L522-L526 WeakPolarHBondContact O-CG 3.31Å; L522-L526 PolarHBondContact O-N 3.16Å; D523-L526 PolarHBondContact O-N 2.68Å; D523-L526 VanDerWaalsContact O-N 3.12Å; L526-V528 PolarHBondContact O-N 3.26Å; L526-Q529 WeakPolarHBondContact O-CB 3.4Å; L526-Q529 WeakPolarHBondContact O-CG 3.08Å; L526-Q529 PolarHBondContact O-N 2.85Å; L526-Q565 HydrophobicContact CD1-CG 4.4Å; L526-F566 HydrophobicContact CD1-CE2 3.85Å; L526-F566 HydrophobicContact CD1-CZ 3.95Å; L526-F566 HydrophobicContact CD2-CZ 3.96Å
527E88.7Confident88.9Confident165 Ų16550.8 Ų50.877%0.77127%0.271SS*.Hα-helixtrans-59.4-28.7178.5-79.5-177.1173.300113.6D523 Q529D523-E527 WeakPolarHBondContact O-CG 3.47Å; D523-E527 PolarHBondContact O-N 3.01Å; E527-Q529 VanDerWaalsContact C-N 3.34Å
528V88.2Confident88.9Confident66 Ų6651.9 Ų51.940%0.428%0.281SS..THydrogen-bonded Turntrans-86.9-4.7-179.3177.30000112.4P467 L526P467-V528 HydrophobicContact CG-CG1 4.23Å; L526-V528 PolarHBondContact O-N 3.26Å
529Q87.1Confident88.8Confident24 Ų2451.9 Ų51.911%0.11228%0.281CS..SBendtrans-74.7143.2178.2-59.7-52.6-47.800112.6P467 I471 A525 L526 E527P467-Q529 PolarHBondContact O-NE2 3.48Å; I471-Q529 HydrophobicContact CD1-CG 4.07Å; I471-Q529 HydrophobicContact CG1-CG 4.32Å; A525-Q529 PolarHBondContact O-NE2 3.13Å; L526-Q529 WeakPolarHBondContact O-CB 3.4Å; L526-Q529 WeakPolarHBondContact O-CG 3.08Å; L526-Q529 PolarHBondContact O-N 2.85Å; E527-Q529 VanDerWaalsContact C-N 3.34Å
530P85.3Confident88.9Confident79 Ų7951.8 Ų51.851%0.51328%0.28SS..  trans-55.2144.8165.7-24.133000112.2D532 S533P530-D532 PolarHBondContact O-N 2.79Å; P530-S533 VanDerWaalsContact O-CB 3.27Å; P530-S533 WeakPolarHBondContact O-CB 3.19Å; P530-S533 PolarHBondContact O-N 3.42Å
531H76.1Confident89Confident155 Ų15550.3 Ų50.372%0.71827%0.267SS*.THydrogen-bonded Turntrans-58.9-16.7-179.1-69.6-56.1000115.7R572H531-R572 VanDerWaalsContact O-CZ 3.29Å; H531-R572 PolarHBondContact O-NE 2.92Å
532D80.5Confident89.1Confident84 Ų8450.6 Ų50.645%0.44927%0.267SS..THydrogen-bonded Turntrans-121.532.4176.9-60.8-61.7000111.1P530 W534 R572 L576P530-D532 PolarHBondContact O-N 2.79Å; D532-W534 HydrophobicContact CB-CZ2 4.11Å; D532-W534 PolarHBondContact O-NE1 3.4Å; D532-R572 IonicContact OD1-CZ 2.66Å; D532-R572 IonicContact OD1-NE 3.29Å; D532-R572 PolarHBondContact OD1-NE 2.99Å; D532-R572 IonicContact OD1-NH2 3.16Å; D532-R572 PolarHBondContact OD1-NH2 2.91Å; D532-R572 IonicContact OD2-NH2 2.83Å; D532-R572 PolarHBondContact OD2-NH2 3.21Å; D532-R572 VanDerWaalsContact OD2-NH2 3.08Å; D532-L576 WeakPolarHBondContact OD1-CD1 3.03Å
533S85.1Confident89.2Confident17 Ų1750.6 Ų50.612%0.11927%0.267CS..  trans-89.1136.8169.7-175.20000110.9P530P530-S533 VanDerWaalsContact O-CB 3.27Å; P530-S533 WeakPolarHBondContact O-CB 3.19Å; P530-S533 PolarHBondContact O-N 3.42Å
534W88.1Confident89.3Confident60 Ų6048.8 Ų48.823%0.22726%0.258CS..  trans-119.61.4-178.4-45.9116.5000112.4D532 S536 F537 L569 R572 Y573 L576D532-W534 HydrophobicContact CB-CZ2 4.11Å; D532-W534 PolarHBondContact O-NE1 3.4Å; W534-S536 PolarHBondContact O-N 3.43Å; W534-S536 VanDerWaalsContact O-N 3.07Å; W534-F537 HydrophobicContact CB-CD2 3.79Å; W534-F537 HydrophobicContact CB-CE2 3.73Å; W534-F537 AromaticContact CD2-CE2 4Å; W534-F537 HydrophobicContact CD2-CE2 4Å; W534-F537 HydrophobicContact CD2-CZ 4.46Å; W534-F537 AromaticContact CE3-CE2 3.5Å; W534-F537 HydrophobicContact CE3-CE2 3.5Å; W534-F537 AromaticContact CE3-CZ 3.53Å; W534-F537 HydrophobicContact CE3-CZ 3.53Å; W534-F537 HydrophobicContact CG-CE2 4.11Å; W534-F537 HydrophobicContact CZ3-CE2 4.46Å; W534-F537 HydrophobicContact CZ3-CZ 4.12Å; W534-F537 WeakPolarHBondContact O-CD2 3.43Å; W534-F537 PolarHBondContact O-N 2.92Å; W534-F537 VanDerWaalsContact O-N 3.1Å; W534-L569 WeakPolarHBondContact CZ3-O 3.41Å; W534-R572 HydrophobicContact CH2-CB 4.32Å; W534-R572 HydrophobicContact CH2-CG 4Å; W534-Y573 AromaticContact CD1-CD2 3.91Å; W534-Y573 AromaticContact CD1-CE2 3.97Å; W534-Y573 AromaticContact CD2-CD2 3.51Å; W534-Y573 HydrophobicContact CD2-CD2 3.51Å; W534-Y573 HydrophobicContact CD2-CE2 4.28Å; W534-Y573 HydrophobicContact CD2-CG 4.19Å; W534-Y573 AromaticContact CE2-CD2 3.63Å; W534-Y573 HydrophobicContact CE3-CD2 4.01Å; W534-Y573 HydrophobicContact CE3-CG 4.23Å; W534-Y573 AromaticContact CG-CD2 3.74Å; W534-Y573 HydrophobicContact CG-CD2 3.74Å; W534-Y573 HydrophobicContact CG-CE2 4.02Å; W534-Y573 HydrophobicContact CZ2-CD2 4.21Å; W534-Y573 AromaticContact NE1-CD2 3.85Å; W534-L576 HydrophobicContact CH2-CD1 4.04Å; W534-L576 HydrophobicContact CZ2-CD1 3.64Å
535D87.1Confident89.5Confident89 Ų8949.1 Ų49.148%0.47626%0.255SS..THydrogen-bonded Turntrans-63.2-17.1-175.2-62.1-18.2000112.7I471 P538I471-D535 WeakPolarHBondContact CG2-O 3.31Å; D535-P538 WeakPolarHBondContact O-CD 3.49Å
536S91.3Very high89.7Confident3 Ų349.8 Ų49.82%0.02126%0.258CS..THydrogen-bonded Turntrans-86-5.4177.658.20000115.1W534 L539 F540 F566W534-S536 PolarHBondContact O-N 3.43Å; W534-S536 VanDerWaalsContact O-N 3.07Å; S536-L539 WeakPolarHBondContact O-CB 3.28Å; S536-L539 PolarHBondContact O-N 2.89Å; S536-F540 PolarHBondContact O-N 3.49Å; S536-F540 VanDerWaalsContact O-N 3.1Å; S536-F566 WeakPolarHBondContact O-CE1 3.41Å
537F93.1Very high89.8Confident12 Ų1248.6 Ų48.65%0.05325%0.252CS..Hα-helixtrans-65.6-39.6177-68.2-42.7000114.6W534 L539 F540 Q541 F566 L569 V570 Y573 F617W534-F537 HydrophobicContact CB-CD2 3.79Å; W534-F537 HydrophobicContact CB-CE2 3.73Å; W534-F537 AromaticContact CD2-CE2 4Å; W534-F537 HydrophobicContact CD2-CE2 4Å; W534-F537 HydrophobicContact CD2-CZ 4.46Å; W534-F537 AromaticContact CE3-CE2 3.5Å; W534-F537 HydrophobicContact CE3-CE2 3.5Å; W534-F537 AromaticContact CE3-CZ 3.53Å; W534-F537 HydrophobicContact CE3-CZ 3.53Å; W534-F537 HydrophobicContact CG-CE2 4.11Å; W534-F537 HydrophobicContact CZ3-CE2 4.46Å; W534-F537 HydrophobicContact CZ3-CZ 4.12Å; W534-F537 WeakPolarHBondContact O-CD2 3.43Å; W534-F537 PolarHBondContact O-N 2.92Å; W534-F537 VanDerWaalsContact O-N 3.1Å; F537-L539 VanDerWaalsContact C-N 3.25Å; F537-L539 PolarHBondContact O-N 3.19Å; F537-F540 PolarHBondContact O-N 2.68Å; F537-Q541 PolarHBondContact O-N 3.33Å; F537-F566 HydrophobicContact CD1-CD1 4.19Å; F537-F566 HydrophobicContact CE1-CD1 4.42Å; F537-L569 HydrophobicContact CE1-CB 4.1Å; F537-L569 HydrophobicContact CZ-CB 4.38Å; F537-V570 HydrophobicContact CD1-CG2 4.34Å; F537-V570 HydrophobicContact CE1-CG2 3.67Å; F537-V570 HydrophobicContact CZ-CG2 4.26Å; F537-Y573 AromaticContact CE2-CD1 3.97Å; F537-Y573 HydrophobicContact CE2-CD1 3.97Å; F537-Y573 HydrophobicContact CE2-CD2 4.17Å; F537-Y573 AromaticContact CE2-CG 3.75Å; F537-Y573 HydrophobicContact CE2-CG 3.75Å; F537-Y573 HydrophobicContact CZ-CG 4.2Å; F537-F617 HydrophobicContact CB-CE2 3.92Å; F537-F617 HydrophobicContact CB-CZ 4.44Å; F537-F617 HydrophobicContact CD1-CZ 4.19Å; F537-F617 AromaticContact CD2-CE2 3.49Å; F537-F617 HydrophobicContact CD2-CE2 3.49Å; F537-F617 VanDerWaalsContact CD2-CE2 3.49Å; F537-F617 AromaticContact CD2-CZ 3.49Å; F537-F617 HydrophobicContact CD2-CZ 3.49Å; F537-F617 VanDerWaalsContact CD2-CZ 3.49Å; F537-F617 HydrophobicContact CE1-CZ 4.29Å; F537-F617 HydrophobicContact CE2-CE2 4.06Å; F537-F617 AromaticContact CE2-CZ 3.58Å; F537-F617 HydrophobicContact CE2-CZ 3.58Å; F537-F617 AromaticContact CG-CE2 3.76Å; F537-F617 HydrophobicContact CG-CE2 3.76Å; F537-F617 AromaticContact CG-CZ 3.82Å; F537-F617 HydrophobicContact CG-CZ 3.82Å; F537-F617 HydrophobicContact CZ-CZ 4Å
538P92.7Very high89.9Confident72 Ų7242.1 Ų42.147%0.46822%0.222SC..Hα-helixtrans-59.9-35.2172.9-2535.7000113.1I475 D535 Q541 M542I475-P538 HydrophobicContact CD1-CB 4.47Å; D535-P538 WeakPolarHBondContact O-CD 3.49Å; P538-Q541 PolarHBondContact O-N 3.41Å; P538-M542 WeakPolarHBondContact O-CB 3.21Å; P538-M542 PolarHBondContact O-N 2.96Å
539L93.5Very high89.9Confident0 Ų042.7 Ų42.70%023%0.229CC..Hα-helixtrans-64.4-45.2174.5174.860.5000111.5I471 M474 I475 T478 L522 S536 F537 L543I471-L539 HydrophobicContact CG2-CB 4.47Å; I471-L539 HydrophobicContact CG2-CD2 4.29Å; M474-L539 HydrophobicContact CB-CD2 4.14Å; M474-L539 HydrophobicContact CG-CD1 4.14Å; M474-L539 HydrophobicContact CG-CD2 3.68Å; I475-L539 HydrophobicContact CD1-CB 4.25Å; I475-L539 HydrophobicContact CG1-CB 3.75Å; I475-L539 HydrophobicContact CG1-CD1 3.87Å; I475-L539 HydrophobicContact CG1-CG 4.32Å; T478-L539 HydrophobicContact CG2-CD1 4.41Å; T478-L539 WeakPolarHBondContact OG1-CD1 3.48Å; L522-L539 HydrophobicContact CD1-CD2 3.64Å; L522-L539 HydrophobicContact CD1-CG 4.36Å; S536-L539 WeakPolarHBondContact O-CB 3.28Å; S536-L539 PolarHBondContact O-N 2.89Å; F537-L539 VanDerWaalsContact C-N 3.25Å; F537-L539 PolarHBondContact O-N 3.19Å; L539-L543 HydrophobicContact CD1-CD1 4.26Å; L539-L543 HydrophobicContact CG-CD1 4.36Å; L539-L543 WeakPolarHBondContact O-CG 3.44Å; L539-L543 PolarHBondContact O-N 3.08Å; L539-L543 VanDerWaalsContact O-N 3.13Å
540F94.1Very high89.9Confident0 Ų044 Ų440%024%0.235CC..Hα-helixtrans-61.6-44.8173170.9-95.7000112.2S536 F537 L543 N544 F566 L621 W623S536-F540 PolarHBondContact O-N 3.49Å; S536-F540 VanDerWaalsContact O-N 3.1Å; F537-F540 PolarHBondContact O-N 2.68Å; F540-L543 PolarHBondContact O-N 3.12Å; F540-N544 HydrophobicContact CE1-CB 4.14Å; F540-N544 HydrophobicContact CE2-CB 4.39Å; F540-N544 HydrophobicContact CZ-CB 4.05Å; F540-N544 VanDerWaalsContact O-CB 3.26Å; F540-N544 WeakPolarHBondContact O-CB 3.49Å; F540-N544 PolarHBondContact O-N 2.86Å; F540-F566 HydrophobicContact CB-CD1 3.65Å; F540-F566 HydrophobicContact CB-CD2 4.17Å; F540-F566 HydrophobicContact CB-CE1 3.65Å; F540-F566 HydrophobicContact CB-CE2 4.18Å; F540-F566 HydrophobicContact CB-CG 3.91Å; F540-F566 HydrophobicContact CB-CZ 3.92Å; F540-F566 HydrophobicContact CD2-CB 3.67Å; F540-F566 HydrophobicContact CD2-CD1 4.17Å; F540-F566 AromaticContact CD2-CD2 3.62Å; F540-F566 HydrophobicContact CD2-CD2 3.62Å; F540-F566 HydrophobicContact CD2-CE2 4.29Å; F540-F566 AromaticContact CD2-CG 3.54Å; F540-F566 HydrophobicContact CD2-CG 3.54Å; F540-F566 HydrophobicContact CE2-CB 3.97Å; F540-F566 HydrophobicContact CE2-CD2 4.48Å; F540-F566 HydrophobicContact CE2-CG 4.32Å; F540-F566 HydrophobicContact CG-CB 4.14Å; F540-F566 HydrophobicContact CG-CD1 4Å; F540-F566 HydrophobicContact CG-CD2 4.23Å; F540-F566 HydrophobicContact CG-CE1 4.48Å; F540-F566 AromaticContact CG-CG 3.85Å; F540-F566 HydrophobicContact CG-CG 3.85Å; F540-L621 HydrophobicContact CD1-CD2 3.72Å; F540-L621 HydrophobicContact CE1-CD2 3.89Å; F540-W623 AromaticContact CE1-CE3 3.98Å; F540-W623 HydrophobicContact CE1-CE3 3.98Å; F540-W623 AromaticContact CE1-CZ3 3.72Å; F540-W623 HydrophobicContact CE1-CZ3 3.72Å; F540-W623 HydrophobicContact CE2-CH2 4.42Å; F540-W623 HydrophobicContact CE2-CZ3 4.22Å; F540-W623 AromaticContact CZ-CE3 3.81Å; F540-W623 HydrophobicContact CZ-CE3 3.81Å; F540-W623 HydrophobicContact CZ-CH2 4Å; F540-W623 AromaticContact CZ-CZ3 3.43Å; F540-W623 HydrophobicContact CZ-CZ3 3.43Å; F540-W623 VanDerWaalsContact CZ-CZ3 3.43Å
541Q93.3Very high89.7Confident67 Ų6745.7 Ų45.731%0.31325%0.249SC..Hα-helixtrans-59.9-48.7179.7-176177.5100111.2F537 P538 L543 N544 D545 D620F537-Q541 PolarHBondContact O-N 3.33Å; P538-Q541 PolarHBondContact O-N 3.41Å; Q541-L543 PolarHBondContact O-N 3.36Å; Q541-N544 PolarHBondContact O-N 3.4Å; Q541-D545 WeakPolarHBondContact O-CB 3.34Å; Q541-D545 PolarHBondContact O-N 3.27Å; Q541-D620 PolarHBondContact NE2-O 3.43Å
542M94.1Very high90Very high53 Ų5341.1 Ų41.126%0.26123%0.234SC..Hα-helixtrans-57.1-45.8176.8-179.3-176.1-73.900112.4I475 T478 E479 I482 P538 F546I475-M542 HydrophobicContact CG2-CE 3.7Å; I475-M542 HydrophobicContact CG2-SD 4.23Å; T478-M542 HydrophobicContact CG2-CG 4.16Å; T478-M542 HydrophobicContact CG2-SD 3.75Å; E479-M542 HydrophobicContact CG-CE 3.66Å; E479-M542 HydrophobicContact CG-SD 3.78Å; I482-M542 HydrophobicContact CD1-CG 3.84Å; I482-M542 HydrophobicContact CD1-SD 4.36Å; P538-M542 WeakPolarHBondContact O-CB 3.21Å; P538-M542 PolarHBondContact O-N 2.96Å; M542-F546 PolarHBondContact O-N 3.45Å
543L94.3Very high90.2Very high0 Ų037.4 Ų37.40%021%0.214CC..Hα-helixtrans-64.1-47.8176.4-73.6168.2000111.8T478 W515 Y518 L522 L539 F540 Q541 F546 L547 F558 I562T478-L543 HydrophobicContact CG2-CD2 3.46Å; T478-L543 VanDerWaalsContact CG2-CD2 3.46Å; T478-L543 HydrophobicContact CG2-CG 3.85Å; W515-L543 HydrophobicContact CE3-CD2 4.5Å; W515-L543 HydrophobicContact CH2-CD2 4.06Å; W515-L543 HydrophobicContact CZ3-CD2 3.83Å; Y518-L543 HydrophobicContact CE1-CD1 4.23Å; Y518-L543 HydrophobicContact CE1-CD2 4.02Å; L522-L543 HydrophobicContact CD2-CD1 4.26Å; L539-L543 HydrophobicContact CD1-CD1 4.26Å; L539-L543 HydrophobicContact CG-CD1 4.36Å; L539-L543 WeakPolarHBondContact O-CG 3.44Å; L539-L543 PolarHBondContact O-N 3.08Å; L539-L543 VanDerWaalsContact O-N 3.13Å; F540-L543 PolarHBondContact O-N 3.12Å; Q541-L543 PolarHBondContact O-N 3.36Å; L543-F546 PolarHBondContact O-N 2.95Å; L543-L547 WeakPolarHBondContact O-CB 3.37Å; L543-L547 WeakPolarHBondContact O-CD1 3.41Å; L543-L547 WeakPolarHBondContact O-CG 3.49Å; L543-L547 PolarHBondContact O-N 3.25Å; L543-F558 HydrophobicContact CD2-CE1 4.19Å; L543-F558 HydrophobicContact CD2-CZ 4.39Å; L543-I562 HydrophobicContact CB-CD1 3.82Å; L543-I562 HydrophobicContact CD1-CD1 4.47Å
544N94.1Very high90.4Very high0 Ų042.4 Ų42.40%023%0.234CC..Hα-helixtrans-66.4-43.6-176-175.248.1000111.9F540 Q541 F546 L547 L548 H559 L621 N622F540-N544 HydrophobicContact CE1-CB 4.14Å; F540-N544 HydrophobicContact CE2-CB 4.39Å; F540-N544 HydrophobicContact CZ-CB 4.05Å; F540-N544 VanDerWaalsContact O-CB 3.26Å; F540-N544 WeakPolarHBondContact O-CB 3.49Å; F540-N544 PolarHBondContact O-N 2.86Å; Q541-N544 PolarHBondContact O-N 3.4Å; N544-F546 PolarHBondContact O-N 2.93Å; N544-L547 PolarHBondContact O-N 3.4Å; N544-L548 VanDerWaalsContact O-CB 3.24Å; N544-L548 WeakPolarHBondContact O-CB 3.4Å; N544-L548 VanDerWaalsContact O-CG 3.24Å; N544-L548 WeakPolarHBondContact O-CG 3.13Å; N544-L548 PolarHBondContact O-N 3.22Å; N544-H559 PolarHBondContact OD1-NE2 3.07Å; N544-L621 PolarHBondContact ND2-O 3.03Å; N544-N622 PolarHBondContact ND2-O 2.94Å
545D93.4Very high90.3Very high61 Ų6141.5 Ų41.533%0.32624%0.243SC..Hα-helixtrans-64.9-38.6178.2-76.9-27.9000112Q541 S549 N622Q541-D545 WeakPolarHBondContact O-CB 3.34Å; Q541-D545 PolarHBondContact O-N 3.27Å; D545-S549 PolarHBondContact O-N 3.28Å; D545-S549 VanDerWaalsContact O-N 3.13Å; D545-N622 PolarHBondContact OD1-ND2 3.05Å
546F93Very high90.3Very high13 Ų1337.9 Ų37.96%0.05723%0.227CC..Hα-helixtrans-63.3-52.6172172.9-108.6000111.8I482 L485 K486 W515 M542 L543 N544 L548 S549 E550 L553I482-F546 HydrophobicContact CD1-CB 3.81Å; I482-F546 HydrophobicContact CD1-CD1 4.4Å; I482-F546 HydrophobicContact CD1-CG 4.01Å; I482-F546 HydrophobicContact CG1-CB 4.19Å; I482-F546 HydrophobicContact CG1-CD1 3.9Å; I482-F546 HydrophobicContact CG1-CD2 4.22Å; I482-F546 HydrophobicContact CG1-CE1 4.38Å; I482-F546 HydrophobicContact CG1-CG 3.81Å; I482-F546 HydrophobicContact CG2-CD2 3.71Å; I482-F546 HydrophobicContact CG2-CE2 4Å; I482-F546 HydrophobicContact CG2-CG 4.15Å; L485-F546 HydrophobicContact CB-CZ 4.35Å; L485-F546 HydrophobicContact CD1-CE1 4.44Å; K486-F546 HydrophobicContact CG-CE2 4.1Å; W515-F546 AromaticContact CZ2-CD1 3.88Å; W515-F546 HydrophobicContact CZ2-CD1 3.88Å; W515-F546 AromaticContact CZ2-CE1 3.58Å; W515-F546 HydrophobicContact CZ2-CE1 3.58Å; W515-F546 AromaticContact NE1-CE1 3.91Å; M542-F546 PolarHBondContact O-N 3.45Å; L543-F546 PolarHBondContact O-N 2.95Å; N544-F546 PolarHBondContact O-N 2.93Å; F546-L548 PolarHBondContact O-N 3.4Å; F546-S549 WeakPolarHBondContact O-CB 3.29Å; F546-S549 PolarHBondContact O-N 3.27Å; F546-S549 PolarHBondContact O-OG 2.82Å; F546-E550 HydrophobicContact CD2-CG 4.45Å; F546-E550 HydrophobicContact CE1-CG 4.5Å; F546-E550 HydrophobicContact CE2-CG 3.82Å; F546-E550 HydrophobicContact CZ-CG 3.86Å; F546-E550 PolarHBondContact O-N 3.45Å; F546-E550 VanDerWaalsContact O-N 3.16Å; F546-L553 HydrophobicContact CE1-CD1 4.25Å
547L92.4Very high90.3Very high1 Ų144.2 Ų44.21%0.00526%0.259CS..Hα-helixtrans-65.4-25.1-178.8-66.8165.7000113L543 N544 L553 K554 F558 H559 I562L543-L547 WeakPolarHBondContact O-CB 3.37Å; L543-L547 WeakPolarHBondContact O-CD1 3.41Å; L543-L547 WeakPolarHBondContact O-CG 3.49Å; L543-L547 PolarHBondContact O-N 3.25Å; N544-L547 PolarHBondContact O-N 3.4Å; L547-L553 HydrophobicContact CD2-CB 3.76Å; L547-L553 HydrophobicContact CD2-CD1 4.03Å; L547-K554 WeakPolarHBondContact O-CA 3.47Å; L547-K554 WeakPolarHBondContact O-CB 3.29Å; L547-K554 PolarHBondContact O-N 3.36Å; L547-F558 HydrophobicContact CD1-CD1 3.88Å; L547-F558 HydrophobicContact CD1-CE1 3.97Å; L547-F558 HydrophobicContact CD2-CD1 4.42Å; L547-H559 HydrophobicContact CD1-CB 4.09Å; L547-I562 HydrophobicContact CD1-CD1 3.59Å
548L91.1Very high90.3Very high29 Ų2944 Ų4415%0.15226%0.258CS..Hα-helixtrans-76.9-28171.9-79.8170.9000113.5N544 F546 K554 H559 N622 P624N544-L548 VanDerWaalsContact O-CB 3.24Å; N544-L548 WeakPolarHBondContact O-CB 3.4Å; N544-L548 VanDerWaalsContact O-CG 3.24Å; N544-L548 WeakPolarHBondContact O-CG 3.13Å; N544-L548 PolarHBondContact O-N 3.22Å; F546-L548 PolarHBondContact O-N 3.4Å; L548-K554 HydrophobicContact CD2-CD 4.05Å; L548-K554 HydrophobicContact CD2-CG 4.22Å; L548-H559 WeakPolarHBondContact CD2-CE1 3.38Å; L548-H559 WeakPolarHBondContact CG-CE1 3.32Å; L548-N622 HydrophobicContact CD1-CB 4.23Å; L548-N622 WeakPolarHBondContact CD1-ND2 3.49Å; L548-N622 VanDerWaalsContact CD1-O 3.27Å; L548-N622 WeakPolarHBondContact CD1-O 3.25Å; L548-P624 HydrophobicContact CD2-CB 4.05Å
549S89.2Confident90.3Very high77 Ų7740.6 Ų40.654%0.53824%0.236SC..Hα-helixtrans-73.4-33.8174.175.60000112.2D545 F546 S551D545-S549 PolarHBondContact O-N 3.28Å; D545-S549 VanDerWaalsContact O-N 3.13Å; F546-S549 WeakPolarHBondContact O-CB 3.29Å; F546-S549 PolarHBondContact O-N 3.27Å; F546-S549 PolarHBondContact O-OG 2.82Å; S549-S551 PolarHBondContact O-N 2.88Å
550E86.2Confident90.2Very high52 Ų5243.6 Ų43.624%0.24325%0.252CS..  trans-88.3104.2-178.9-71.1-55.1150.500113.2F546 S552 L553 K554F546-E550 HydrophobicContact CD2-CG 4.45Å; F546-E550 HydrophobicContact CE1-CG 4.5Å; F546-E550 HydrophobicContact CE2-CG 3.82Å; F546-E550 HydrophobicContact CZ-CG 3.86Å; F546-E550 PolarHBondContact O-N 3.45Å; F546-E550 VanDerWaalsContact O-N 3.16Å; E550-S552 PolarHBondContact O-N 3.26Å; E550-S552 VanDerWaalsContact O-N 3.07Å; E550-L553 HydrophobicContact CB-CB 4.18Å; E550-L553 HydrophobicContact CB-CD1 4.29Å; E550-L553 HydrophobicContact CB-CG 4.33Å; E550-L553 PolarHBondContact O-N 2.98Å; E550-K554 WeakPolarHBondContact O-CB 3.41Å; E550-K554 PolarHBondContact O-N 2.99Å
551S80.9Confident90.2Very high114 Ų11447.5 Ų47.580%0.79727%0.269SS*.THydrogen-bonded Turntrans-59.2-22.5-176.764.10000115.6S549S549-S551 PolarHBondContact O-N 2.88Å
552S82.2Confident90.2Very high59 Ų5944.3 Ų44.341%0.41325%0.254SS..THydrogen-bonded Turntrans-83.7-28.1177.746.90000113.5E550E550-S552 PolarHBondContact O-N 3.26Å; E550-S552 VanDerWaalsContact O-N 3.07Å
553L86.1Confident90.1Very high6 Ų641.8 Ų41.83%0.03124%0.242CC..THydrogen-bonded Turntrans-101.3-15.8-177.7-59.4179.5000113E512 F546 L547 E550 G555 G556E512-L553 HydrophobicContact CG-CD2 4.05Å; F546-L553 HydrophobicContact CE1-CD1 4.25Å; L547-L553 HydrophobicContact CD2-CB 3.76Å; L547-L553 HydrophobicContact CD2-CD1 4.03Å; E550-L553 HydrophobicContact CB-CB 4.18Å; E550-L553 HydrophobicContact CB-CD1 4.29Å; E550-L553 HydrophobicContact CB-CG 4.33Å; E550-L553 PolarHBondContact O-N 2.98Å; L553-G555 PolarHBondContact O-N 3.04Å; L553-G556 WeakPolarHBondContact O-CA 3.44Å; L553-G556 PolarHBondContact O-N 3.2Å
554K87.6Confident90Very high122 Ų12247.7 Ų47.753%0.5327%0.27SS..THydrogen-bonded Turntrans-61.3115.5177.2-179.2171.9178.5172.80111.8L547 L548 E550L547-K554 WeakPolarHBondContact O-CA 3.47Å; L547-K554 WeakPolarHBondContact O-CB 3.29Å; L547-K554 PolarHBondContact O-N 3.36Å; L548-K554 HydrophobicContact CD2-CD 4.05Å; L548-K554 HydrophobicContact CD2-CG 4.22Å; E550-K554 WeakPolarHBondContact O-CB 3.41Å; E550-K554 PolarHBondContact O-N 2.99Å
555G86.3Confident89.9Confident41 Ų4150.4 Ų50.442%0.42328%0.282SS..THydrogen-bonded Turntrans73.915.6-174.300000113.6L553 H559 N560L553-G555 PolarHBondContact O-N 3.04Å; G555-H559 PolarHBondContact N-ND1 3.09Å; G555-N560 PolarHBondContact O-ND2 3.42Å
556G88.1Confident89.8Confident13 Ų1347.5 Ų47.513%0.13427%0.267CS..  trans-68.5-179.717400000114E512 L553 H559 N560E512-G556 VanDerWaalsContact OE1-C 3.31Å; E512-G556 WeakPolarHBondContact OE1-CA 3.31Å; L553-G556 WeakPolarHBondContact O-CA 3.44Å; L553-G556 PolarHBondContact O-N 3.2Å; G556-H559 PolarHBondContact O-N 2.78Å; G556-N560 WeakPolarHBondContact O-CB 3.42Å; G556-N560 VanDerWaalsContact O-CG 3.23Å; G556-N560 PolarHBondContact O-N 3.09Å; G556-N560 PolarHBondContact O-ND2 3.08Å
557I90.4Very high89.9Confident137 Ų13749.7 Ų49.770%0.70328%0.277SS*.Hα-helixtrans-63.8-51.1-174-59.5173.6000110E512 K561E512-I557 PolarHBondContact OE1-N 3.45Å; E512-I557 PolarHBondContact OE2-N 3.05Å; I557-K561 PolarHBondContact O-N 3.2Å
558F93.3Very high89.8Confident6 Ų653.3 Ų53.33%0.02630%0.301CS..Hα-helixtrans-65.2-40.8177.2176.7-109.2000112.5E512 W515 Y518 L522 L543 L547 N560 K561 I562E512-F558 PolarHBondContact OE2-N 3.46Å; W515-F558 HydrophobicContact CB-CB 3.82Å; W515-F558 HydrophobicContact CB-CD1 3.62Å; W515-F558 HydrophobicContact CB-CD2 4.04Å; W515-F558 HydrophobicContact CB-CE1 4.14Å; W515-F558 HydrophobicContact CB-CG 3.55Å; W515-F558 HydrophobicContact CD2-CD1 4.1Å; W515-F558 AromaticContact CD2-CE1 3.94Å; W515-F558 HydrophobicContact CD2-CE1 3.94Å; W515-F558 HydrophobicContact CE3-CD1 4.37Å; W515-F558 AromaticContact CE3-CE1 3.78Å; W515-F558 HydrophobicContact CE3-CE1 3.78Å; W515-F558 HydrophobicContact CE3-CZ 4.06Å; W515-F558 AromaticContact CG-CD1 3.78Å; W515-F558 HydrophobicContact CG-CD1 3.78Å; W515-F558 HydrophobicContact CG-CE1 4.11Å; W515-F558 HydrophobicContact CG-CG 4.24Å; Y518-F558 HydrophobicContact CD1-CE2 4.14Å; Y518-F558 AromaticContact CD1-CZ 3.74Å; Y518-F558 HydrophobicContact CD1-CZ 3.74Å; Y518-F558 AromaticContact CE1-CZ 3.89Å; Y518-F558 HydrophobicContact CE1-CZ 3.89Å; L522-F558 HydrophobicContact CD2-CE2 4.43Å; L522-F558 HydrophobicContact CD2-CZ 4.34Å; L543-F558 HydrophobicContact CD2-CE1 4.19Å; L543-F558 HydrophobicContact CD2-CZ 4.39Å; L547-F558 HydrophobicContact CD1-CD1 3.88Å; L547-F558 HydrophobicContact CD1-CE1 3.97Å; L547-F558 HydrophobicContact CD2-CD1 4.42Å; F558-N560 PolarHBondContact O-N 2.88Å; F558-K561 WeakPolarHBondContact O-CB 3.37Å; F558-K561 PolarHBondContact O-N 3.07Å; F558-K561 VanDerWaalsContact O-N 3.15Å; F558-I562 HydrophobicContact CD1-CG2 4.5Å; F558-I562 HydrophobicContact CD2-CG2 4.18Å; F558-I562 HydrophobicContact CE1-CD1 4.37Å; F558-I562 HydrophobicContact CE1-CG2 3.98Å; F558-I562 HydrophobicContact CE2-CG2 3.59Å; F558-I562 HydrophobicContact CZ-CG2 3.49Å; F558-I562 VanDerWaalsContact CZ-CG2 3.49Å; F558-I562 PolarHBondContact O-N 3.26Å
559H92.9Very high89.9Confident2 Ų254.3 Ų54.31%0.00931%0.306CS..Hα-helixtrans-59.9-47.1179.9-166178.2000111.3N544 L547 L548 G555 G556 K561 I562 V563 P624N544-H559 PolarHBondContact OD1-NE2 3.07Å; L547-H559 HydrophobicContact CD1-CB 4.09Å; L548-H559 WeakPolarHBondContact CD2-CE1 3.38Å; L548-H559 WeakPolarHBondContact CG-CE1 3.32Å; G555-H559 PolarHBondContact N-ND1 3.09Å; G556-H559 PolarHBondContact O-N 2.78Å; H559-K561 VanDerWaalsContact C-N 3.32Å; H559-K561 PolarHBondContact O-N 3.07Å; H559-I562 VanDerWaalsContact O-CG1 3.23Å; H559-I562 WeakPolarHBondContact O-CG1 3.33Å; H559-I562 PolarHBondContact O-N 3.48Å; H559-V563 WeakPolarHBondContact O-CB 3.44Å; H559-V563 WeakPolarHBondContact O-CG2 3.34Å; H559-V563 PolarHBondContact O-N 3.12Å; H559-V563 VanDerWaalsContact O-N 3.1Å; H559-P624 WeakPolarHBondContact NE2-CG 3.43Å
560N92.3Very high90.1Very high63 Ų6350.7 Ų50.734%0.33728%0.28SS..Hα-helixtrans-64.7-35.5177.1-64.6-36.1000112.1G555 G556 F558 Q564G555-N560 PolarHBondContact O-ND2 3.42Å; G556-N560 WeakPolarHBondContact O-CB 3.42Å; G556-N560 VanDerWaalsContact O-CG 3.23Å; G556-N560 PolarHBondContact O-N 3.09Å; G556-N560 PolarHBondContact O-ND2 3.08Å; F558-N560 PolarHBondContact O-N 2.88Å; N560-Q564 WeakPolarHBondContact O-CB 3.29Å; N560-Q564 VanDerWaalsContact O-CG 3.27Å; N560-Q564 WeakPolarHBondContact O-CG 3.36Å; N560-Q564 PolarHBondContact O-N 2.68Å
561K92.4Very high90.4Very high81 Ų8149.8 Ų49.835%0.35228%0.279SS..Hα-helixtrans-62.2-51.4175.7-175.9-176172.3-175.10111.7S519 D523 I557 F558 H559 V563 Q564 Q565S519-K561 WeakPolarHBondContact OG-CE 3.37Å; S519-K561 PolarHBondContact OG-NZ 3.27Å; D523-K561 IonicContact OD1-NZ 3.61Å; D523-K561 IonicContact OD2-NZ 3.61Å; D523-K561 PolarHBondContact OD2-NZ 3.32Å; I557-K561 PolarHBondContact O-N 3.2Å; F558-K561 WeakPolarHBondContact O-CB 3.37Å; F558-K561 PolarHBondContact O-N 3.07Å; F558-K561 VanDerWaalsContact O-N 3.15Å; H559-K561 VanDerWaalsContact C-N 3.32Å; H559-K561 PolarHBondContact O-N 3.07Å; K561-V563 VanDerWaalsContact C-N 3.31Å; K561-V563 PolarHBondContact O-N 2.84Å; K561-Q564 PolarHBondContact O-N 3.28Å; K561-Q565 WeakPolarHBondContact O-CB 3.16Å; K561-Q565 PolarHBondContact O-N 2.88Å
562I93.3Very high90.9Very high0 Ų049.2 Ų49.20%026%0.259CS..Hα-helixtrans-65.4-36.6-178.565168.3000111.8L522 L543 L547 F558 H559 Q565 F566L522-I562 HydrophobicContact CD2-CG2 4.06Å; L543-I562 HydrophobicContact CB-CD1 3.82Å; L543-I562 HydrophobicContact CD1-CD1 4.47Å; L547-I562 HydrophobicContact CD1-CD1 3.59Å; F558-I562 HydrophobicContact CD1-CG2 4.5Å; F558-I562 HydrophobicContact CD2-CG2 4.18Å; F558-I562 HydrophobicContact CE1-CD1 4.37Å; F558-I562 HydrophobicContact CE1-CG2 3.98Å; F558-I562 HydrophobicContact CE2-CG2 3.59Å; F558-I562 HydrophobicContact CZ-CG2 3.49Å; F558-I562 VanDerWaalsContact CZ-CG2 3.49Å; F558-I562 PolarHBondContact O-N 3.26Å; H559-I562 VanDerWaalsContact O-CG1 3.23Å; H559-I562 WeakPolarHBondContact O-CG1 3.33Å; H559-I562 PolarHBondContact O-N 3.48Å; I562-Q565 PolarHBondContact O-N 3.13Å; I562-F566 WeakPolarHBondContact O-CD2 3.48Å; I562-F566 PolarHBondContact O-N 3.44Å
563V92.8Very high91.4Very high1 Ų148.4 Ų48.41%0.00625%0.247CC..Hα-helixtrans-59.9-51.3176.1167.80000109.9H559 K561 Q565 F566 Q567 W623 P624 E625H559-V563 WeakPolarHBondContact O-CB 3.44Å; H559-V563 WeakPolarHBondContact O-CG2 3.34Å; H559-V563 PolarHBondContact O-N 3.12Å; H559-V563 VanDerWaalsContact O-N 3.1Å; K561-V563 VanDerWaalsContact C-N 3.31Å; K561-V563 PolarHBondContact O-N 2.84Å; V563-Q565 VanDerWaalsContact C-N 3.31Å; V563-Q565 PolarHBondContact O-N 3.45Å; V563-F566 PolarHBondContact O-N 3.05Å; V563-Q567 VanDerWaalsContact O-CB 3.3Å; V563-Q567 WeakPolarHBondContact O-CB 3.47Å; V563-Q567 PolarHBondContact O-N 2.76Å; V563-W623 HydrophobicContact CB-CZ2 4.34Å; V563-W623 HydrophobicContact CG1-CH2 4.45Å; V563-W623 HydrophobicContact CG1-CZ2 3.51Å; V563-W623 WeakPolarHBondContact O-CH2 3.28Å; V563-W623 WeakPolarHBondContact O-CZ2 3.39Å; V563-P624 HydrophobicContact CG1-CG 4.33Å; V563-P624 HydrophobicContact CG2-CG 3.42Å; V563-P624 VanDerWaalsContact CG2-CG 3.42Å; V563-E625 HydrophobicContact CG1-CG 4.21Å
564Q92.3Very high91.7Very high124 Ų12448.2 Ų48.258%0.57925%0.246SC*.Hα-helixtrans-63.2-34.3177.9-70.6172.51300113.2N560 K561 P568N560-Q564 WeakPolarHBondContact O-CB 3.29Å; N560-Q564 VanDerWaalsContact O-CG 3.27Å; N560-Q564 WeakPolarHBondContact O-CG 3.36Å; N560-Q564 PolarHBondContact O-N 2.68Å; K561-Q564 PolarHBondContact O-N 3.28Å; Q564-P568 WeakPolarHBondContact O-CD 3.27Å
565Q91.4Very high92Very high56 Ų5645.1 Ų45.126%0.26224%0.235SC..Hα-helixtrans-70.3-42.3178.7-172.1173.230.300112.6D523 L526 K561 I562 V563D523-Q565 PolarHBondContact OD1-NE2 3.08Å; L526-Q565 HydrophobicContact CD1-CG 4.4Å; K561-Q565 WeakPolarHBondContact O-CB 3.16Å; K561-Q565 PolarHBondContact O-N 2.88Å; I562-Q565 PolarHBondContact O-N 3.13Å; V563-Q565 VanDerWaalsContact C-N 3.31Å; V563-Q565 PolarHBondContact O-N 3.45Å
566F92.7Very high92.3Very high0 Ų046.7 Ų46.70%023%0.234CC..Hα-helixtrans-85.3-20.5-179.4-81.1-94.3000113.8L526 S536 F537 F540 I562 V563 L569 V570 W623L526-F566 HydrophobicContact CD1-CE2 3.85Å; L526-F566 HydrophobicContact CD1-CZ 3.95Å; L526-F566 HydrophobicContact CD2-CZ 3.96Å; S536-F566 WeakPolarHBondContact O-CE1 3.41Å; F537-F566 HydrophobicContact CD1-CD1 4.19Å; F537-F566 HydrophobicContact CE1-CD1 4.42Å; F540-F566 HydrophobicContact CB-CD1 3.65Å; F540-F566 HydrophobicContact CB-CD2 4.17Å; F540-F566 HydrophobicContact CB-CE1 3.65Å; F540-F566 HydrophobicContact CB-CE2 4.18Å; F540-F566 HydrophobicContact CB-CG 3.91Å; F540-F566 HydrophobicContact CB-CZ 3.92Å; F540-F566 HydrophobicContact CD2-CB 3.67Å; F540-F566 HydrophobicContact CD2-CD1 4.17Å; F540-F566 AromaticContact CD2-CD2 3.62Å; F540-F566 HydrophobicContact CD2-CD2 3.62Å; F540-F566 HydrophobicContact CD2-CE2 4.29Å; F540-F566 AromaticContact CD2-CG 3.54Å; F540-F566 HydrophobicContact CD2-CG 3.54Å; F540-F566 HydrophobicContact CE2-CB 3.97Å; F540-F566 HydrophobicContact CE2-CD2 4.48Å; F540-F566 HydrophobicContact CE2-CG 4.32Å; F540-F566 HydrophobicContact CG-CB 4.14Å; F540-F566 HydrophobicContact CG-CD1 4Å; F540-F566 HydrophobicContact CG-CD2 4.23Å; F540-F566 HydrophobicContact CG-CE1 4.48Å; F540-F566 AromaticContact CG-CG 3.85Å; F540-F566 HydrophobicContact CG-CG 3.85Å; I562-F566 WeakPolarHBondContact O-CD2 3.48Å; I562-F566 PolarHBondContact O-N 3.44Å; V563-F566 PolarHBondContact O-N 3.05Å; F566-L569 HydrophobicContact CD1-CD1 4.04Å; F566-L569 HydrophobicContact CE1-CD1 4.31Å; F566-L569 WeakPolarHBondContact O-CB 3.42Å; F566-L569 PolarHBondContact O-N 3.28Å; F566-V570 PolarHBondContact O-N 3.24Å; F566-W623 HydrophobicContact CB-CH2 4.37Å
567Q93.3Very high92.5Very high59 Ų5948 Ų4828%0.27624%0.237SC..Hα-helixtrans-50.5-53179-166.2-179.312.300113.6V563 L569 V570 V571 W623 F628V563-Q567 VanDerWaalsContact O-CB 3.3Å; V563-Q567 WeakPolarHBondContact O-CB 3.47Å; V563-Q567 PolarHBondContact O-N 2.76Å; Q567-L569 VanDerWaalsContact C-N 3.3Å; Q567-L569 PolarHBondContact O-N 2.87Å; Q567-V570 PolarHBondContact O-N 3.12Å; Q567-V571 WeakPolarHBondContact O-CG2 3.19Å; Q567-V571 PolarHBondContact O-N 3.23Å; Q567-V571 VanDerWaalsContact O-N 3.09Å; Q567-W623 HydrophobicContact CB-CH2 3.98Å; Q567-W623 HydrophobicContact CB-CZ2 3.78Å; Q567-W623 HydrophobicContact CG-CZ2 4Å; Q567-F628 HydrophobicContact CG-CD1 4.31Å; Q567-F628 HydrophobicContact CG-CD2 4.05Å; Q567-F628 HydrophobicContact CG-CE1 3.86Å; Q567-F628 HydrophobicContact CG-CE2 3.6Å; Q567-F628 HydrophobicContact CG-CG 4.36Å; Q567-F628 HydrophobicContact CG-CZ 3.48Å; Q567-F628 VanDerWaalsContact CG-CZ 3.48Å
568P92Very high92.7Very high78 Ų7843.9 Ų43.951%0.50622%0.215SC..Hα-helixtrans-66.6-29.1178.427.3-36.1000113.3Q564 R572Q564-P568 WeakPolarHBondContact O-CD 3.27Å; P568-R572 VanDerWaalsContact O-CB 3.29Å; P568-R572 WeakPolarHBondContact O-CB 3.49Å; P568-R572 PolarHBondContact O-N 2.97Å
569L91.6Very high92.7Very high50 Ų5049 Ų4926%0.26224%0.239SC..Hα-helixtrans-68.1-45176.7-60177.7000110.9W534 F537 F566 Q567 R572 Y573W534-L569 WeakPolarHBondContact CZ3-O 3.41Å; F537-L569 HydrophobicContact CE1-CB 4.1Å; F537-L569 HydrophobicContact CZ-CB 4.38Å; F566-L569 HydrophobicContact CD1-CD1 4.04Å; F566-L569 HydrophobicContact CE1-CD1 4.31Å; F566-L569 WeakPolarHBondContact O-CB 3.42Å; F566-L569 PolarHBondContact O-N 3.28Å; Q567-L569 VanDerWaalsContact C-N 3.3Å; Q567-L569 PolarHBondContact O-N 2.87Å; L569-R572 PolarHBondContact O-N 3.3Å; L569-Y573 WeakPolarHBondContact O-CB 3.49Å; L569-Y573 PolarHBondContact O-N 2.9Å
570V93.1Very high92.7Very high0 Ų052 Ų520%026%0.26CS..Hα-helixtrans-62.8-43.6175.8173.70000111.2F537 F566 Q567 Y573 I574 L621 W623 L632F537-V570 HydrophobicContact CD1-CG2 4.34Å; F537-V570 HydrophobicContact CE1-CG2 3.67Å; F537-V570 HydrophobicContact CZ-CG2 4.26Å; F566-V570 PolarHBondContact O-N 3.24Å; Q567-V570 PolarHBondContact O-N 3.12Å; V570-Y573 PolarHBondContact O-N 3.38Å; V570-I574 HydrophobicContact CG1-CD1 3.89Å; V570-I574 WeakPolarHBondContact O-CG1 3.48Å; V570-I574 PolarHBondContact O-N 2.93Å; V570-L621 HydrophobicContact CB-CD1 4.35Å; V570-L621 HydrophobicContact CG1-CD1 3.58Å; V570-L621 HydrophobicContact CG2-CD1 3.73Å; V570-L621 HydrophobicContact CG2-CD2 4.35Å; V570-W623 HydrophobicContact CG2-CZ3 3.97Å; V570-L632 HydrophobicContact CG1-CD1 4.39Å; V570-L632 HydrophobicContact CG1-CD2 3.95Å
571V92.6Very high92.9Very high34 Ų3449 Ų4921%0.20624%0.244CC..Hα-helixtrans-58.6-50.9175.7174.80000110.7Q567 Y573 I574 D575 F628 Y631Q567-V571 WeakPolarHBondContact O-CG2 3.19Å; Q567-V571 PolarHBondContact O-N 3.23Å; Q567-V571 VanDerWaalsContact O-N 3.09Å; V571-Y573 PolarHBondContact O-N 3.27Å; V571-I574 PolarHBondContact O-N 3.16Å; V571-D575 WeakPolarHBondContact CG1-OD2 3.29Å; V571-D575 PolarHBondContact O-N 2.84Å; V571-D575 VanDerWaalsContact O-OD2 3.1Å; V571-F628 HydrophobicContact CG2-CE2 3.89Å; V571-F628 HydrophobicContact CG2-CZ 3.68Å; V571-Y631 HydrophobicContact CG2-CE1 4.24Å
572R92.1Very high92.9Very high101 Ų10145.9 Ų45.938%0.38123%0.233SC..Hα-helixtrans-61.3-41.2179.7-175.9-174.9176.1135.9-2.5112.3H531 D532 W534 P568 L569 D575 L576H531-R572 VanDerWaalsContact O-CZ 3.29Å; H531-R572 PolarHBondContact O-NE 2.92Å; D532-R572 IonicContact OD1-CZ 2.66Å; D532-R572 IonicContact OD1-NE 3.29Å; D532-R572 PolarHBondContact OD1-NE 2.99Å; D532-R572 IonicContact OD1-NH2 3.16Å; D532-R572 PolarHBondContact OD1-NH2 2.91Å; D532-R572 IonicContact OD2-NH2 2.83Å; D532-R572 PolarHBondContact OD2-NH2 3.21Å; D532-R572 VanDerWaalsContact OD2-NH2 3.08Å; W534-R572 HydrophobicContact CH2-CB 4.32Å; W534-R572 HydrophobicContact CH2-CG 4Å; P568-R572 VanDerWaalsContact O-CB 3.29Å; P568-R572 WeakPolarHBondContact O-CB 3.49Å; P568-R572 PolarHBondContact O-N 2.97Å; L569-R572 PolarHBondContact O-N 3.3Å; R572-D575 PolarHBondContact O-N 3.24Å; R572-L576 HydrophobicContact CG-CD1 3.88Å; R572-L576 HydrophobicContact CG-CG 4.48Å; R572-L576 WeakPolarHBondContact O-CB 3.47Å; R572-L576 WeakPolarHBondContact O-CG 3.31Å; R572-L576 PolarHBondContact O-N 2.98Å
573Y92.9Very high93Very high43 Ų4350.7 Ų50.717%0.16926%0.255CS..Hα-helixtrans-61.1-47.8176.4176.6-114.3000111.5W534 F537 L569 V570 V571 D575 L576 M577 L614 F617W534-Y573 AromaticContact CD1-CD2 3.91Å; W534-Y573 AromaticContact CD1-CE2 3.97Å; W534-Y573 AromaticContact CD2-CD2 3.51Å; W534-Y573 HydrophobicContact CD2-CD2 3.51Å; W534-Y573 HydrophobicContact CD2-CE2 4.28Å; W534-Y573 HydrophobicContact CD2-CG 4.19Å; W534-Y573 AromaticContact CE2-CD2 3.63Å; W534-Y573 HydrophobicContact CE3-CD2 4.01Å; W534-Y573 HydrophobicContact CE3-CG 4.23Å; W534-Y573 AromaticContact CG-CD2 3.74Å; W534-Y573 HydrophobicContact CG-CD2 3.74Å; W534-Y573 HydrophobicContact CG-CE2 4.02Å; W534-Y573 HydrophobicContact CZ2-CD2 4.21Å; W534-Y573 AromaticContact NE1-CD2 3.85Å; F537-Y573 AromaticContact CE2-CD1 3.97Å; F537-Y573 HydrophobicContact CE2-CD1 3.97Å; F537-Y573 HydrophobicContact CE2-CD2 4.17Å; F537-Y573 AromaticContact CE2-CG 3.75Å; F537-Y573 HydrophobicContact CE2-CG 3.75Å; F537-Y573 HydrophobicContact CZ-CG 4.2Å; L569-Y573 WeakPolarHBondContact O-CB 3.49Å; L569-Y573 PolarHBondContact O-N 2.9Å; V570-Y573 PolarHBondContact O-N 3.38Å; V571-Y573 PolarHBondContact O-N 3.27Å; Y573-D575 PolarHBondContact O-N 3.42Å; Y573-L576 PolarHBondContact O-N 3.02Å; Y573-M577 HydrophobicContact CD1-CG 4.45Å; Y573-M577 HydrophobicContact CD2-CG 4.01Å; Y573-M577 HydrophobicContact CE1-CG 4.11Å; Y573-M577 HydrophobicContact CE2-CG 3.61Å; Y573-M577 HydrophobicContact CE2-SD 4.07Å; Y573-M577 HydrophobicContact CG-CG 4.42Å; Y573-M577 WeakPolarHBondContact O-CB 3.2Å; Y573-M577 VanDerWaalsContact O-CG 3.3Å; Y573-M577 WeakPolarHBondContact O-CG 3.26Å; Y573-M577 PolarHBondContact O-N 3.07Å; Y573-L614 HydrophobicContact CD1-CD1 4.18Å; Y573-L614 HydrophobicContact CE1-CD1 3.65Å; Y573-F617 AromaticContact CD1-CD1 3.95Å; Y573-F617 HydrophobicContact CD1-CD1 3.95Å; Y573-F617 AromaticContact CD1-CE1 3.41Å; Y573-F617 HydrophobicContact CD1-CE1 3.41Å; Y573-F617 VanDerWaalsContact CD1-CE1 3.41Å; Y573-F617 AromaticContact CD1-CZ 3.79Å; Y573-F617 HydrophobicContact CD1-CZ 3.79Å; Y573-F617 AromaticContact CE1-CD1 3.65Å; Y573-F617 HydrophobicContact CE1-CD1 3.65Å; Y573-F617 HydrophobicContact CE1-CD2 4.42Å; Y573-F617 AromaticContact CE1-CE1 3.57Å; Y573-F617 HydrophobicContact CE1-CE1 3.57Å; Y573-F617 HydrophobicContact CE1-CE2 4.34Å; Y573-F617 HydrophobicContact CE1-CG 4.09Å; Y573-F617 AromaticContact CE1-CZ 3.93Å; Y573-F617 HydrophobicContact CE1-CZ 3.93Å
574I93Very high93Very high2 Ų251.9 Ų51.91%0.0127%0.265CS..Hα-helixtrans-62.6-43178-65.1166.2000110.6V570 V571 L576 M577 E578 L614 V618 L632 K635 L639V570-I574 HydrophobicContact CG1-CD1 3.89Å; V570-I574 WeakPolarHBondContact O-CG1 3.48Å; V570-I574 PolarHBondContact O-N 2.93Å; V571-I574 PolarHBondContact O-N 3.16Å; I574-L576 PolarHBondContact O-N 2.92Å; I574-M577 PolarHBondContact O-N 3.47Å; I574-E578 WeakPolarHBondContact O-CB 3.24Å; I574-E578 PolarHBondContact O-N 2.88Å; I574-L614 HydrophobicContact CG1-CD1 4.39Å; I574-V618 HydrophobicContact CD1-CG2 3.85Å; I574-V618 HydrophobicContact CG1-CG2 4.38Å; I574-L632 HydrophobicContact CD1-CD2 3.57Å; I574-K635 HydrophobicContact CG2-CD 3.93Å; I574-K635 HydrophobicContact CG2-CG 4.35Å; I574-L639 HydrophobicContact CG2-CD1 3.81Å
575D92.6Very high93.1Very high56 Ų5646 Ų4630%0.29924%0.237SC..Hα-helixtrans-61.7-43.2176.5-70.3-37.9000112.1V571 R572 Y573 E578 H579 K635V571-D575 WeakPolarHBondContact CG1-OD2 3.29Å; V571-D575 PolarHBondContact O-N 2.84Å; V571-D575 VanDerWaalsContact O-OD2 3.1Å; R572-D575 PolarHBondContact O-N 3.24Å; Y573-D575 PolarHBondContact O-N 3.42Å; D575-E578 WeakPolarHBondContact O-CB 3.28Å; D575-E578 PolarHBondContact O-N 3.27Å; D575-H579 PolarHBondContact O-N 3.42Å; D575-H579 PolarHBondContact O-ND1 2.97Å; D575-K635 VanDerWaalsContact OD1-CE 3.28Å; D575-K635 WeakPolarHBondContact OD1-CE 3.33Å; D575-K635 IonicContact OD1-NZ 3.85Å; D575-K635 PolarHBondContact OD1-NZ 2.99Å; D575-K635 IonicContact OD2-NZ 3.11Å; D575-K635 PolarHBondContact OD2-NZ 3.24Å
576L92.3Very high93.1Very high75 Ų7548.1 Ų48.139%0.39325%0.251SS..Hα-helixtrans-69.7-36.8178.1-73.6168.4000112.2D532 W534 R572 Y573 I574 H579 S580D532-L576 WeakPolarHBondContact OD1-CD1 3.03Å; W534-L576 HydrophobicContact CH2-CD1 4.04Å; W534-L576 HydrophobicContact CZ2-CD1 3.64Å; R572-L576 HydrophobicContact CG-CD1 3.88Å; R572-L576 HydrophobicContact CG-CG 4.48Å; R572-L576 WeakPolarHBondContact O-CB 3.47Å; R572-L576 WeakPolarHBondContact O-CG 3.31Å; R572-L576 PolarHBondContact O-N 2.98Å; Y573-L576 PolarHBondContact O-N 3.02Å; I574-L576 PolarHBondContact O-N 2.92Å; L576-H579 PolarHBondContact O-N 3.4Å; L576-S580 WeakPolarHBondContact O-CB 3.45Å; L576-S580 PolarHBondContact O-N 3.22Å
577M93.7Very high93.1Very high40 Ų4054 Ų5420%0.19728%0.276CS..Hα-helixtrans-66.8-39.1173.4-73.5-62.9-70.400111.6Y573 I574 S580 I581 L614Y573-M577 HydrophobicContact CD1-CG 4.45Å; Y573-M577 HydrophobicContact CD2-CG 4.01Å; Y573-M577 HydrophobicContact CE1-CG 4.11Å; Y573-M577 HydrophobicContact CE2-CG 3.61Å; Y573-M577 HydrophobicContact CE2-SD 4.07Å; Y573-M577 HydrophobicContact CG-CG 4.42Å; Y573-M577 WeakPolarHBondContact O-CB 3.2Å; Y573-M577 VanDerWaalsContact O-CG 3.3Å; Y573-M577 WeakPolarHBondContact O-CG 3.26Å; Y573-M577 PolarHBondContact O-N 3.07Å; I574-M577 PolarHBondContact O-N 3.47Å; M577-S580 PolarHBondContact O-N 2.93Å; M577-I581 WeakPolarHBondContact O-CB 3.13Å; M577-I581 WeakPolarHBondContact O-CG1 3.15Å; M577-I581 PolarHBondContact O-N 3.04Å; M577-L614 HydrophobicContact CB-CD1 4.16Å; M577-L614 HydrophobicContact CB-CD2 3.86Å; M577-L614 HydrophobicContact CG-CD1 4.2Å
578E93.4Very high93Very high51 Ų5152 Ų5224%0.23827%0.271CS..Hα-helixtrans-56.7-51.1171.8-175.1176.2158.200111.5I574 D575 S580 I581 A582 L639 M643I574-E578 WeakPolarHBondContact O-CB 3.24Å; I574-E578 PolarHBondContact O-N 2.88Å; D575-E578 WeakPolarHBondContact O-CB 3.28Å; D575-E578 PolarHBondContact O-N 3.27Å; E578-S580 PolarHBondContact O-N 3.41Å; E578-I581 PolarHBondContact O-N 3.47Å; E578-A582 VanDerWaalsContact O-CB 3.3Å; E578-A582 WeakPolarHBondContact O-CB 3.23Å; E578-A582 PolarHBondContact O-N 2.95Å; E578-L639 HydrophobicContact CB-CD1 3.75Å; E578-L639 HydrophobicContact CB-CG 4.13Å; E578-L639 HydrophobicContact CG-CD1 4.12Å; E578-L639 HydrophobicContact CG-CG 3.97Å; E578-M643 HydrophobicContact CG-CE 3.7Å
579H93.6Very high93Very high114 Ų11449.2 Ų49.253%0.52825%0.251SS..Hα-helixtrans-65.1-37.9178.2-73.978.1000112.4D575 L576 Q583D575-H579 PolarHBondContact O-N 3.42Å; D575-H579 PolarHBondContact O-ND1 2.97Å; L576-H579 PolarHBondContact O-N 3.4Å; H579-Q583 WeakPolarHBondContact O-CB 3.29Å; H579-Q583 WeakPolarHBondContact O-CG 3.42Å; H579-Q583 PolarHBondContact O-N 3.23Å
580S94.2Very high92.8Very high65 Ų6551.3 Ų51.346%0.45527%0.27SS..Hα-helixtrans-65.8-46.4177.9-1760000111.7L576 M577 E578 Q583 A584L576-S580 WeakPolarHBondContact O-CB 3.45Å; L576-S580 PolarHBondContact O-N 3.22Å; M577-S580 PolarHBondContact O-N 2.93Å; E578-S580 PolarHBondContact O-N 3.41Å; S580-Q583 PolarHBondContact O-N 3.19Å; S580-A584 VanDerWaalsContact O-CB 3.3Å; S580-A584 WeakPolarHBondContact O-CB 3.41Å; S580-A584 PolarHBondContact O-N 3.43Å
581I94.9Very high92.5Very high0 Ų059.6 Ų59.60%031%0.306CS..Hα-helixtrans-64.8-45.7176.7-67.5167.9000110M577 E578 Q583 A584 I585 I607 K610 L611 L614 M643M577-I581 WeakPolarHBondContact O-CB 3.13Å; M577-I581 WeakPolarHBondContact O-CG1 3.15Å; M577-I581 PolarHBondContact O-N 3.04Å; E578-I581 PolarHBondContact O-N 3.47Å; I581-Q583 PolarHBondContact O-N 3.38Å; I581-A584 WeakPolarHBondContact O-CB 3.49Å; I581-A584 PolarHBondContact O-N 2.94Å; I581-A584 VanDerWaalsContact O-N 3.11Å; I581-I585 HydrophobicContact CG2-CD1 4.41Å; I581-I585 WeakPolarHBondContact O-CG1 3.38Å; I581-I585 PolarHBondContact O-N 2.66Å; I581-I607 HydrophobicContact CG2-CD1 4.21Å; I581-I607 HydrophobicContact CG2-CG2 3.97Å; I581-K610 HydrophobicContact CD1-CB 4.06Å; I581-K610 HydrophobicContact CG1-CB 4.1Å; I581-L611 HydrophobicContact CD1-CD2 4Å; I581-L611 HydrophobicContact CD1-CG 4.37Å; I581-L611 HydrophobicContact CG2-CD2 4.42Å; I581-L611 HydrophobicContact CG2-CG 4.48Å; I581-L614 HydrophobicContact CD1-CD2 4.43Å; I581-M643 HydrophobicContact CG2-CB 4.33Å; I581-M643 HydrophobicContact CG2-CG 3.79Å; I581-M643 HydrophobicContact CG2-SD 4.03Å
582A94Very high92.5Very high14 Ų1459.3 Ų59.312%0.11630%0.302CS..Hα-helixtrans-57.9-47.8175.800000112.5E578 A584 I585 D586 M643E578-A582 VanDerWaalsContact O-CB 3.3Å; E578-A582 WeakPolarHBondContact O-CB 3.23Å; E578-A582 PolarHBondContact O-N 2.95Å; A582-A584 VanDerWaalsContact C-N 3.28Å; A582-A584 PolarHBondContact O-N 3.42Å; A582-I585 WeakPolarHBondContact O-CB 2.8Å; A582-I585 PolarHBondContact O-N 3.49Å; A582-D586 PolarHBondContact O-N 3.11Å; A582-M643 HydrophobicContact CB-CE 4.27Å; A582-M643 HydrophobicContact CB-SD 3.99Å
583Q93.7Very high92.3Very high101 Ų10161.2 Ų61.247%0.47231%0.313SS..Hα-helixtrans-65.5-30.2175.9-75.1-170.43600113.4H579 S580 I581 K587H579-Q583 WeakPolarHBondContact O-CB 3.29Å; H579-Q583 WeakPolarHBondContact O-CG 3.42Å; H579-Q583 PolarHBondContact O-N 3.23Å; S580-Q583 PolarHBondContact O-N 3.19Å; I581-Q583 PolarHBondContact O-N 3.38Å; Q583-K587 VanDerWaalsContact O-CB 3.32Å; Q583-K587 WeakPolarHBondContact O-CB 3.29Å; Q583-K587 VanDerWaalsContact O-CG 3.32Å; Q583-K587 WeakPolarHBondContact O-CG 3.48Å; Q583-K587 PolarHBondContact O-N 2.72Å
584A93.9Very high92.2Very high26 Ų2660 Ų6022%0.21531%0.309CS..Hα-helixtrans-71.2-32.6176.400000111.8S580 I581 A582 G588 I607S580-A584 VanDerWaalsContact O-CB 3.3Å; S580-A584 WeakPolarHBondContact O-CB 3.41Å; S580-A584 PolarHBondContact O-N 3.43Å; I581-A584 WeakPolarHBondContact O-CB 3.49Å; I581-A584 PolarHBondContact O-N 2.94Å; I581-A584 VanDerWaalsContact O-N 3.11Å; A582-A584 VanDerWaalsContact C-N 3.28Å; A582-A584 PolarHBondContact O-N 3.42Å; A584-G588 VanDerWaalsContact O-CA 3.32Å; A584-G588 WeakPolarHBondContact O-CA 3Å; A584-G588 PolarHBondContact O-N 2.81Å; A584-I607 HydrophobicContact CB-CD1 3.51Å
585I94.4Very high91.9Very high0 Ų065.6 Ų65.60%034%0.335CS..Hα-helixtrans-60.8-58.3169.2-64.9165.6000109.1I581 A582 K587 G588 F589 I607 M643 K646 V647I581-I585 HydrophobicContact CG2-CD1 4.41Å; I581-I585 WeakPolarHBondContact O-CG1 3.38Å; I581-I585 PolarHBondContact O-N 2.66Å; A582-I585 WeakPolarHBondContact O-CB 2.8Å; A582-I585 PolarHBondContact O-N 3.49Å; I585-K587 PolarHBondContact O-N 2.7Å; I585-G588 PolarHBondContact O-N 3.14Å; I585-F589 HydrophobicContact CB-CD2 4.43Å; I585-F589 HydrophobicContact CG2-CD2 3.71Å; I585-F589 HydrophobicContact CG2-CE2 4Å; I585-F589 WeakPolarHBondContact O-CD2 3.16Å; I585-F589 PolarHBondContact O-N 3.44Å; I585-I607 HydrophobicContact CD1-CG2 4.16Å; I585-I607 HydrophobicContact CG1-CD1 3.76Å; I585-I607 HydrophobicContact CG1-CG1 3.85Å; I585-I607 HydrophobicContact CG1-CG2 3.99Å; I585-M643 HydrophobicContact CD1-CB 4.15Å; I585-M643 HydrophobicContact CD1-CG 4.5Å; I585-M643 HydrophobicContact CD1-SD 3.89Å; I585-K646 HydrophobicContact CD1-CB 4.03Å; I585-K646 HydrophobicContact CG2-CB 4.29Å; I585-V647 HydrophobicContact CD1-CG2 3.88Å; I585-V647 HydrophobicContact CG1-CG2 3.98Å
586D91.8Very high91.5Very high102 Ų10266.7 Ų66.755%0.54535%0.347SS..Hα-helixtrans-57.4-45-176.1-63.4-27.3000112.8A582 S590A582-D586 PolarHBondContact O-N 3.11Å; D586-S590 WeakPolarHBondContact O-CB 3.28Å; D586-S590 PolarHBondContact O-OG 3.44Å
587K91.7Very high90.9Very high123 Ų12369.7 Ų69.754%0.53535%0.353SS..Hα-helixtrans-79.9-25.7-178.7-67.7171.1-173.1163.40113.5Q583 I585 S590Q583-K587 VanDerWaalsContact O-CB 3.32Å; Q583-K587 WeakPolarHBondContact O-CB 3.29Å; Q583-K587 VanDerWaalsContact O-CG 3.32Å; Q583-K587 WeakPolarHBondContact O-CG 3.48Å; Q583-K587 PolarHBondContact O-N 2.72Å; I585-K587 PolarHBondContact O-N 2.7Å; K587-S590 PolarHBondContact O-OG 3.08Å
588G91.3Very high90.4Very high16 Ų1675.9 Ų75.917%0.16538%0.379CS..Hα-helixtrans-77.1-59.4179.200000111A584 I585 S590 K591 E592A584-G588 VanDerWaalsContact O-CA 3.32Å; A584-G588 WeakPolarHBondContact O-CA 3Å; A584-G588 PolarHBondContact O-N 2.81Å; I585-G588 PolarHBondContact O-N 3.14Å; G588-S590 VanDerWaalsContact C-N 3.26Å; G588-S590 PolarHBondContact O-N 3.07Å; G588-K591 CarbonylContact O-C 3.43Å; G588-K591 PolarHBondContact O-N 3.32Å; G588-E592 PolarHBondContact O-N 3.4Å
589F91.9Very high89.7Confident21 Ų2177.9 Ų77.99%0.09239%0.388CS..Hα-helixtrans-63-29-177.2-75.8-75.5000113.6I585 K591 E592 W594 T603 V647 C650I585-F589 HydrophobicContact CB-CD2 4.43Å; I585-F589 HydrophobicContact CG2-CD2 3.71Å; I585-F589 HydrophobicContact CG2-CE2 4Å; I585-F589 WeakPolarHBondContact O-CD2 3.16Å; I585-F589 PolarHBondContact O-N 3.44Å; F589-K591 PolarHBondContact O-N 3.37Å; F589-E592 PolarHBondContact O-N 3.3Å; F589-W594 AromaticContact CD1-CH2 3.46Å; F589-W594 HydrophobicContact CD1-CH2 3.46Å; F589-W594 VanDerWaalsContact CD1-CH2 3.46Å; F589-W594 AromaticContact CD1-CZ2 3.76Å; F589-W594 HydrophobicContact CD1-CZ2 3.76Å; F589-W594 HydrophobicContact CD1-CZ3 4.32Å; F589-W594 AromaticContact CE1-CH2 3.52Å; F589-W594 HydrophobicContact CE1-CH2 3.52Å; F589-W594 HydrophobicContact CE1-CZ2 4.28Å; F589-W594 AromaticContact CE1-CZ3 4Å; F589-W594 HydrophobicContact CE1-CZ3 4Å; F589-T603 HydrophobicContact CD2-CG2 3.8Å; F589-T603 HydrophobicContact CE2-CG2 3.65Å; F589-T603 HydrophobicContact CG-CG2 4.28Å; F589-T603 HydrophobicContact CZ-CG2 4.05Å; F589-V647 HydrophobicContact CE2-CB 4.42Å; F589-V647 HydrophobicContact CE2-CG1 4.26Å; F589-V647 HydrophobicContact CE2-CG2 4.1Å; F589-V647 HydrophobicContact CZ-CG1 3.88Å; F589-V647 HydrophobicContact CZ-CG2 4.48Å; F589-C650 HydrophobicContact CB-CB 4.06Å; F589-C650 HydrophobicContact CD1-CB 4.44Å; F589-C650 HydrophobicContact CD2-CB 4.03Å; F589-C650 HydrophobicContact CG-CB 3.91Å
590S87.1Confident89.4Confident93 Ų9372.5 Ų72.565%0.6536%0.363SS*.THydrogen-bonded Turntrans-69.8-12.6173.454.30000114.8D586 K587 G588D586-S590 WeakPolarHBondContact O-CB 3.28Å; D586-S590 PolarHBondContact O-OG 3.44Å; K587-S590 PolarHBondContact O-OG 3.08Å; G588-S590 VanDerWaalsContact C-N 3.26Å; G588-S590 PolarHBondContact O-N 3.07Å
591K88.4Confident89.3Confident174 Ų17469.4 Ų69.476%0.75734%0.342SS*.THydrogen-bonded Turntrans-122.63.2176.7-64.2-179.7-178.6176.70113.3G588 F589G588-K591 CarbonylContact O-C 3.43Å; G588-K591 PolarHBondContact O-N 3.32Å; F589-K591 PolarHBondContact O-N 3.37Å
592E90.9Very high89.1Confident29 Ų2971.2 Ų71.214%0.13636%0.357CS..  trans-69.3137.1-175.3-176.651.7-96.400110.7G588 F589 W594 C601 T603G588-E592 PolarHBondContact O-N 3.4Å; F589-E592 PolarHBondContact O-N 3.3Å; E592-W594 HydrophobicContact CG-CD2 3.95Å; E592-W594 HydrophobicContact CG-CE3 4.34Å; E592-W594 HydrophobicContact CG-CG 4.21Å; E592-W594 HydrophobicContact CG-CZ2 4.41Å; E592-W594 PolarHBondContact OE1-N 2.86Å; E592-C601 HydrophobicContact CG-CB 4.22Å; E592-T603 WeakPolarHBondContact OE2-CB 3.49Å; E592-T603 PolarHBondContact OE2-N 3Å; E592-T603 PolarHBondContact OE2-OG1 2.77Å
593K87.9Confident89Confident140 Ų14071.5 Ų71.561%0.60936%0.357SS*.  trans-94.3-14.4178.2-66.2-178.4-179.9178.10113E595K593-E595 VanDerWaalsContact C-N 3.3Å; K593-E595 HydrophobicContact CB-CG 4.08Å; K593-E595 HydrophobicContact CD-CG 4.49Å; K593-E595 WeakPolarHBondContact CD-OE1 3.47Å; K593-E595 IonicContact NZ-OE1 3.02Å; K593-E595 PolarHBondContact NZ-OE1 3.46Å; K593-E595 VanDerWaalsContact NZ-OE1 3.16Å; K593-E595 PolarHBondContact O-N 2.88Å
594W90.8Very high89Confident18 Ų1866.7 Ų66.77%0.06834%0.335CS..  trans64.633.4-177.4-53.192.1000113.1F589 E592 C601 T651 A654 E673 V676 Q677 V680F589-W594 AromaticContact CD1-CH2 3.46Å; F589-W594 HydrophobicContact CD1-CH2 3.46Å; F589-W594 VanDerWaalsContact CD1-CH2 3.46Å; F589-W594 AromaticContact CD1-CZ2 3.76Å; F589-W594 HydrophobicContact CD1-CZ2 3.76Å; F589-W594 HydrophobicContact CD1-CZ3 4.32Å; F589-W594 AromaticContact CE1-CH2 3.52Å; F589-W594 HydrophobicContact CE1-CH2 3.52Å; F589-W594 HydrophobicContact CE1-CZ2 4.28Å; F589-W594 AromaticContact CE1-CZ3 4Å; F589-W594 HydrophobicContact CE1-CZ3 4Å; E592-W594 HydrophobicContact CG-CD2 3.95Å; E592-W594 HydrophobicContact CG-CE3 4.34Å; E592-W594 HydrophobicContact CG-CG 4.21Å; E592-W594 HydrophobicContact CG-CZ2 4.41Å; E592-W594 PolarHBondContact OE1-N 2.86Å; W594-C601 HydrophobicContact CE3-CB 4.23Å; W594-T651 HydrophobicContact CH2-CG2 4Å; W594-T651 HydrophobicContact CZ3-CG2 4Å; W594-A654 HydrophobicContact CH2-CB 4.26Å; W594-A654 HydrophobicContact CZ2-CB 3.5Å; W594-A654 VanDerWaalsContact CZ2-CB 3.5Å; W594-E673 HydrophobicContact CB-CB 3.68Å; W594-E673 HydrophobicContact CB-CG 3.88Å; W594-E673 HydrophobicContact CG-CB 4.4Å; W594-V676 HydrophobicContact CE3-CG1 4.43Å; W594-V676 WeakPolarHBondContact O-CG2 3.43Å; W594-Q677 HydrophobicContact CD2-CG 3.64Å; W594-Q677 HydrophobicContact CE3-CB 4.34Å; W594-Q677 HydrophobicContact CE3-CG 3.32Å; W594-Q677 HydrophobicContact CG-CG 4.39Å; W594-Q677 HydrophobicContact CH2-CG 3.87Å; W594-Q677 HydrophobicContact CZ2-CG 4.16Å; W594-Q677 HydrophobicContact CZ3-CB 4.27Å; W594-Q677 HydrophobicContact CZ3-CG 3.45Å; W594-Q677 VanDerWaalsContact CZ3-CG 3.45Å; W594-V680 HydrophobicContact CZ3-CG2 4.29Å
595E87.5Confident88.9Confident119 Ų11966.1 Ų66.156%0.55633%0.328SS*.  trans-70.3132.5167.6-65.9173.9-161.300109.2K593 R597K593-E595 VanDerWaalsContact C-N 3.3Å; K593-E595 HydrophobicContact CB-CG 4.08Å; K593-E595 HydrophobicContact CD-CG 4.49Å; K593-E595 WeakPolarHBondContact CD-OE1 3.47Å; K593-E595 IonicContact NZ-OE1 3.02Å; K593-E595 PolarHBondContact NZ-OE1 3.46Å; K593-E595 VanDerWaalsContact NZ-OE1 3.16Å; K593-E595 PolarHBondContact O-N 2.88Å; E595-R597 PolarHBondContact O-N 2.92Å
596S83.5Confident88.7Confident79 Ų7969 Ų6955%0.55234%0.343SS*.  trans-65.8125.7-178.6-176.60000111.5
597R81.3Confident88.8Confident139 Ų13964.2 Ų64.253%0.52532%0.317SS..BIsolated β-bridgetrans-140.8109.1178.5-166.1-176.6-169.6-161.82109.7E595 E599 G600E595-R597 PolarHBondContact O-N 2.92Å; R597-E599 PolarHBondContact O-N 2.75Å; R597-G600 PolarHBondContact N-O 3.3Å; R597-G600 CarbonylContact O-C 3.42Å; R597-G600 PolarHBondContact O-N 2.97Å; R597-G600 VanDerWaalsContact O-N 3.14Å
598K81.8Confident88.8Confident170 Ų17058.4 Ų58.474%0.73929%0.292SS*.THydrogen-bonded Turntrans52.9-113.4-172.5-61.2165167.1-1740111.3E605K598-E605 HydrophobicContact CD-CG 4.36Å; K598-E605 WeakPolarHBondContact CD-OE2 3.38Å; K598-E605 IonicContact NZ-OE2 2.76Å; K598-E605 PolarHBondContact NZ-OE2 3.02Å
599E79.4Confident88.9Confident92 Ų9265.6 Ų65.643%0.4331%0.314SS..THydrogen-bonded Turntrans-95.63-176-62.1179.9-17800113.3R597 N679 I808R597-E599 PolarHBondContact O-N 2.75Å; E599-N679 CarbonylContact O-C 3.59Å; E599-I808 HydrophobicContact CB-CD1 4.12Å; E599-I808 HydrophobicContact CG-CD1 4.46Å
600G87.9Confident89Confident1 Ų167 Ų671%0.0132%0.321CS..BIsolated β-bridgetrans-161.8-138.9-175.300000113.5R597R597-G600 PolarHBondContact N-O 3.3Å; R597-G600 CarbonylContact O-C 3.42Å; R597-G600 PolarHBondContact O-N 2.97Å; R597-G600 VanDerWaalsContact O-N 3.14Å
601C91.1Very high89.2Confident0 Ų062.9 Ų62.90%029%0.291CS..  trans-110.3174.9176.270.10000111.9E592 W594 T603 S604 E605 V676 V680E592-C601 HydrophobicContact CG-CB 4.22Å; W594-C601 HydrophobicContact CE3-CB 4.23Å; C601-T603 VanDerWaalsContact C-N 3.34Å; C601-T603 PolarHBondContact O-N 3.23Å; C601-S604 PolarHBondContact N-OG 3.45Å; C601-S604 PolarHBondContact O-N 2.8Å; C601-S604 PolarHBondContact O-OG 2.81Å; C601-S604 PolarHBondContact SG-N 3.3Å; C601-S604 VanDerWaalsContact SG-N 3.39Å; C601-E605 PolarHBondContact O-N 3.05Å; C601-V676 HydrophobicContact CB-CG1 3.96Å; C601-V680 HydrophobicContact CB-CG2 4.22Å
602A90.4Very high89.2Confident39 Ų3958.3 Ų58.332%0.32228%0.275SS..Hα-helixtrans-61.6-40.1-178.700000112.9D606A602-D606 PolarHBondContact O-N 3.46Å
603T92.5Very high89.2Confident20 Ų2059 Ų5912%0.12329%0.285CS..Hα-helixtrans-69.5-48.7177.1-57.90000112F589 E592 C601 E605 D606 I607F589-T603 HydrophobicContact CD2-CG2 3.8Å; F589-T603 HydrophobicContact CE2-CG2 3.65Å; F589-T603 HydrophobicContact CG-CG2 4.28Å; F589-T603 HydrophobicContact CZ-CG2 4.05Å; E592-T603 WeakPolarHBondContact OE2-CB 3.49Å; E592-T603 PolarHBondContact OE2-N 3Å; E592-T603 PolarHBondContact OE2-OG1 2.77Å; C601-T603 VanDerWaalsContact C-N 3.34Å; C601-T603 PolarHBondContact O-N 3.23Å; T603-E605 VanDerWaalsContact C-N 3.34Å; T603-E605 PolarHBondContact O-N 2.99Å; T603-D606 PolarHBondContact O-N 3.16Å; T603-I607 HydrophobicContact CG2-CG1 4.29Å; T603-I607 WeakPolarHBondContact O-CG1 3.43Å; T603-I607 PolarHBondContact O-N 2.98Å
604S92.8Very high89.5Confident0 Ų052.4 Ų52.40%026%0.257CS..Hα-helixtrans-60.6-44.6-176.465.90000111.6C601 D606 I607 Y608C601-S604 PolarHBondContact N-OG 3.45Å; C601-S604 PolarHBondContact O-N 2.8Å; C601-S604 PolarHBondContact O-OG 2.81Å; C601-S604 PolarHBondContact SG-N 3.3Å; C601-S604 VanDerWaalsContact SG-N 3.39Å; S604-D606 VanDerWaalsContact C-N 3.34Å; S604-D606 PolarHBondContact O-N 3.49Å; S604-I607 PolarHBondContact O-N 2.93Å; S604-Y608 VanDerWaalsContact O-CB 3.28Å; S604-Y608 WeakPolarHBondContact O-CB 3.34Å; S604-Y608 WeakPolarHBondContact O-CD2 3.12Å; S604-Y608 PolarHBondContact O-N 3.09Å
605E91.7Very high89.4Confident14 Ų1454.8 Ų54.87%0.06527%0.269CS..Hα-helixtrans-62.9-35.6178.9-79.5-67.1112.200113.5K598 C601 T603 W609K598-E605 HydrophobicContact CD-CG 4.36Å; K598-E605 WeakPolarHBondContact CD-OE2 3.38Å; K598-E605 IonicContact NZ-OE2 2.76Å; K598-E605 PolarHBondContact NZ-OE2 3.02Å; C601-E605 PolarHBondContact O-N 3.05Å; T603-E605 VanDerWaalsContact C-N 3.34Å; T603-E605 PolarHBondContact O-N 2.99Å; E605-W609 VanDerWaalsContact O-CB 3.26Å; E605-W609 WeakPolarHBondContact O-CB 3.35Å; E605-W609 PolarHBondContact O-N 3.26Å
606D91.9Very high89.5Confident61 Ų6152.5 Ų52.533%0.32626%0.263SS..Hα-helixtrans-71.5-43.3176.8173.867.4000112.1A602 T603 S604 W609 K610A602-D606 PolarHBondContact O-N 3.46Å; T603-D606 PolarHBondContact O-N 3.16Å; S604-D606 VanDerWaalsContact C-N 3.34Å; S604-D606 PolarHBondContact O-N 3.49Å; D606-W609 PolarHBondContact O-N 2.86Å; D606-K610 VanDerWaalsContact CG-NZ 3.34Å; D606-K610 WeakPolarHBondContact O-CD 3.44Å; D606-K610 VanDerWaalsContact O-CG 3.31Å; D606-K610 WeakPolarHBondContact O-CG 3.42Å; D606-K610 PolarHBondContact O-N 3.21Å; D606-K610 VanDerWaalsContact OD1-CE 3.29Å; D606-K610 WeakPolarHBondContact OD1-CE 3.4Å; D606-K610 IonicContact OD1-NZ 3.12Å; D606-K610 PolarHBondContact OD1-NZ 3.43Å; D606-K610 WeakPolarHBondContact OD2-CE 3.31Å; D606-K610 IonicContact OD2-NZ 2.67Å; D606-K610 PolarHBondContact OD2-NZ 3.5Å
607I93.4Very high89.9Confident0 Ų050.5 Ų50.50%024%0.244CC..Hα-helixtrans-60.1-47.2173.9-66.7-57.7000110.9I581 A584 I585 T603 S604 K610 L611 V647I581-I607 HydrophobicContact CG2-CD1 4.21Å; I581-I607 HydrophobicContact CG2-CG2 3.97Å; A584-I607 HydrophobicContact CB-CD1 3.51Å; I585-I607 HydrophobicContact CD1-CG2 4.16Å; I585-I607 HydrophobicContact CG1-CD1 3.76Å; I585-I607 HydrophobicContact CG1-CG1 3.85Å; I585-I607 HydrophobicContact CG1-CG2 3.99Å; T603-I607 HydrophobicContact CG2-CG1 4.29Å; T603-I607 WeakPolarHBondContact O-CG1 3.43Å; T603-I607 PolarHBondContact O-N 2.98Å; S604-I607 PolarHBondContact O-N 2.93Å; I607-K610 PolarHBondContact O-N 3.21Å; I607-L611 HydrophobicContact CG2-CD1 4.19Å; I607-L611 WeakPolarHBondContact O-CG 3.18Å; I607-L611 PolarHBondContact O-N 3.31Å; I607-V647 HydrophobicContact CG2-CG2 3.85Å
608Y92.1Very high90.3Very high1 Ų144.6 Ų44.60%0.00422%0.224CC..Hα-helixtrans-63.7-44.9178.5-71.1-24.7000112.9S604 K610 L611 D612 I644 V647 S684S604-Y608 VanDerWaalsContact O-CB 3.28Å; S604-Y608 WeakPolarHBondContact O-CB 3.34Å; S604-Y608 WeakPolarHBondContact O-CD2 3.12Å; S604-Y608 PolarHBondContact O-N 3.09Å; Y608-K610 VanDerWaalsContact C-N 3.28Å; Y608-K610 PolarHBondContact O-N 3.28Å; Y608-L611 HydrophobicContact CD1-CD1 4.44Å; Y608-L611 PolarHBondContact O-N 2.85Å; Y608-D612 PolarHBondContact O-N 2.93Å; Y608-I644 HydrophobicContact CE1-CG1 4.38Å; Y608-V647 HydrophobicContact CE1-CG1 4.38Å; Y608-V647 WeakPolarHBondContact OH-CG1 3.39Å; Y608-S684 WeakPolarHBondContact OH-CA 3.39Å; Y608-S684 PolarHBondContact OH-N 3.12Å; Y608-S684 PolarHBondContact OH-OG 2.86Å
609W92.8Very high90.6Very high167 Ų16741.4 Ų41.463%0.63321%0.214SC*.Hα-helixtrans-60.4-37.8175.7174.474.6000112.2E605 D606 D612 A613E605-W609 VanDerWaalsContact O-CB 3.26Å; E605-W609 WeakPolarHBondContact O-CB 3.35Å; E605-W609 PolarHBondContact O-N 3.26Å; D606-W609 PolarHBondContact O-N 2.86Å; W609-D612 PolarHBondContact O-N 3.01Å; W609-A613 VanDerWaalsContact O-CB 3.28Å; W609-A613 WeakPolarHBondContact O-CB 3.29Å; W609-A613 PolarHBondContact O-N 2.93Å
610K92.9Very high91.1Very high52 Ų5240.6 Ų40.623%0.22621%0.212CC..Hα-helixtrans-65.8-39.3174.4-73.1165-179.4167.20113I581 D606 I607 Y608 L614I581-K610 HydrophobicContact CD1-CB 4.06Å; I581-K610 HydrophobicContact CG1-CB 4.1Å; D606-K610 VanDerWaalsContact CG-NZ 3.34Å; D606-K610 WeakPolarHBondContact O-CD 3.44Å; D606-K610 VanDerWaalsContact O-CG 3.31Å; D606-K610 WeakPolarHBondContact O-CG 3.42Å; D606-K610 PolarHBondContact O-N 3.21Å; D606-K610 VanDerWaalsContact OD1-CE 3.29Å; D606-K610 WeakPolarHBondContact OD1-CE 3.4Å; D606-K610 IonicContact OD1-NZ 3.12Å; D606-K610 PolarHBondContact OD1-NZ 3.43Å; D606-K610 WeakPolarHBondContact OD2-CE 3.31Å; D606-K610 IonicContact OD2-NZ 2.67Å; D606-K610 PolarHBondContact OD2-NZ 3.5Å; I607-K610 PolarHBondContact O-N 3.21Å; Y608-K610 VanDerWaalsContact C-N 3.28Å; Y608-K610 PolarHBondContact O-N 3.28Å; K610-L614 WeakPolarHBondContact O-CB 3.45Å; K610-L614 PolarHBondContact O-N 2.99Å
611L91.8Very high91.2Very high5 Ų540.7 Ų40.73%0.02621%0.212CC..Hα-helixtrans-65.9-46.3175-72.7168.4000111.6I581 I607 Y608 A613 L614 H615 M636 L639 M643I581-L611 HydrophobicContact CD1-CD2 4Å; I581-L611 HydrophobicContact CD1-CG 4.37Å; I581-L611 HydrophobicContact CG2-CD2 4.42Å; I581-L611 HydrophobicContact CG2-CG 4.48Å; I607-L611 HydrophobicContact CG2-CD1 4.19Å; I607-L611 WeakPolarHBondContact O-CG 3.18Å; I607-L611 PolarHBondContact O-N 3.31Å; Y608-L611 HydrophobicContact CD1-CD1 4.44Å; Y608-L611 PolarHBondContact O-N 2.85Å; L611-A613 VanDerWaalsContact C-N 3.35Å; L611-A613 PolarHBondContact O-N 3.3Å; L611-L614 PolarHBondContact O-N 3.35Å; L611-H615 WeakPolarHBondContact O-CB 3.38Å; L611-H615 PolarHBondContact O-N 3.46Å; L611-M636 HydrophobicContact CD2-CE 4.35Å; L611-L639 HydrophobicContact CD2-CD2 3.36Å; L611-M643 HydrophobicContact CD1-CB 3.86Å; L611-M643 HydrophobicContact CD2-CB 4.12Å; L611-M643 HydrophobicContact CD2-CG 4.07Å
612D89.8Confident91.1Very high78 Ų7843.8 Ų43.842%0.41723%0.229SC..Hα-helixtrans-60.9-44.9177.8-63.9-28.3000110.2Y608 W609 H615 T616 R687Y608-D612 PolarHBondContact O-N 2.93Å; W609-D612 PolarHBondContact O-N 3.01Å; D612-H615 PolarHBondContact O-N 2.85Å; D612-T616 PolarHBondContact O-N 3.36Å; D612-T616 PolarHBondContact O-OG1 3.28Å; D612-R687 IonicContact OD1-NH1 3.16Å; D612-R687 PolarHBondContact OD1-NH1 3.14Å; D612-R687 IonicContact OD2-CZ 2.83Å; D612-R687 IonicContact OD2-NH1 2.72Å; D612-R687 PolarHBondContact OD2-NH1 3.35Å; D612-R687 IonicContact OD2-NH2 3.08Å
613A91.1Very high91.2Very high43 Ų4342 Ų4236%0.35521%0.214SC..Hα-helixtrans-64.4-39176.600000113.5W609 L611 H615 T616 F617W609-A613 VanDerWaalsContact O-CB 3.28Å; W609-A613 WeakPolarHBondContact O-CB 3.29Å; W609-A613 PolarHBondContact O-N 2.93Å; L611-A613 VanDerWaalsContact C-N 3.35Å; L611-A613 PolarHBondContact O-N 3.3Å; A613-H615 VanDerWaalsContact C-N 3.35Å; A613-T616 PolarHBondContact O-N 3Å; A613-F617 WeakPolarHBondContact O-CB 3.39Å; A613-F617 PolarHBondContact O-N 2.98Å
614L92.3Very high91Very high2 Ų242.6 Ų42.61%0.0122%0.218CC..Hα-helixtrans-67.4-36.5175.5-174.762.7000111.7Y573 I574 M577 I581 K610 L611 F617 V618 M636 L639Y573-L614 HydrophobicContact CD1-CD1 4.18Å; Y573-L614 HydrophobicContact CE1-CD1 3.65Å; I574-L614 HydrophobicContact CG1-CD1 4.39Å; M577-L614 HydrophobicContact CB-CD1 4.16Å; M577-L614 HydrophobicContact CB-CD2 3.86Å; M577-L614 HydrophobicContact CG-CD1 4.2Å; I581-L614 HydrophobicContact CD1-CD2 4.43Å; K610-L614 WeakPolarHBondContact O-CB 3.45Å; K610-L614 PolarHBondContact O-N 2.99Å; L611-L614 PolarHBondContact O-N 3.35Å; L614-F617 HydrophobicContact CD1-CD1 4.28Å; L614-F617 PolarHBondContact O-N 2.88Å; L614-V618 WeakPolarHBondContact O-CG2 3.33Å; L614-V618 PolarHBondContact O-N 3.42Å; L614-V618 VanDerWaalsContact O-N 3.09Å; L614-M636 HydrophobicContact CB-CE 4.32Å; L614-M636 HydrophobicContact CB-SD 4.39Å; L614-M636 HydrophobicContact CD2-CE 4.07Å; L614-M636 HydrophobicContact CD2-SD 4Å; L614-M636 HydrophobicContact CG-CE 4.21Å; L614-M636 HydrophobicContact CG-SD 3.82Å; L614-L639 HydrophobicContact CD2-CD1 3.92Å; L614-L639 HydrophobicContact CD2-CD2 4.41Å
615H89Confident90.9Very high69 Ų6946 Ų4632%0.31923%0.234SC..Hα-helixtrans-65.9-45175.1-169.2-86.8000111.7L611 D612 A613 V618 I619 M636L611-H615 WeakPolarHBondContact O-CB 3.38Å; L611-H615 PolarHBondContact O-N 3.46Å; D612-H615 PolarHBondContact O-N 2.85Å; A613-H615 VanDerWaalsContact C-N 3.35Å; H615-V618 PolarHBondContact O-N 2.95Å; H615-I619 PolarHBondContact O-N 3.36Å; H615-M636 HydrophobicContact CB-CE 4.4Å; H615-M636 HydrophobicContact CB-CG 4.34Å
616T89.8Confident90.7Very high71 Ų7151.1 Ų51.144%0.43626%0.258SS..Hα-helixtrans-58-48.1172.7-65.30000111.2D612 A613 V618 I619 D620D612-T616 PolarHBondContact O-N 3.36Å; D612-T616 PolarHBondContact O-OG1 3.28Å; A613-T616 PolarHBondContact O-N 3Å; T616-V618 VanDerWaalsContact C-N 3.32Å; T616-V618 PolarHBondContact O-N 3.45Å; T616-I619 WeakPolarHBondContact O-CB 3.43Å; T616-I619 PolarHBondContact O-N 3.42Å; T616-D620 VanDerWaalsContact CG2-OD2 3.28Å; T616-D620 WeakPolarHBondContact CG2-OD2 3.45Å; T616-D620 WeakPolarHBondContact O-CB 3.48Å; T616-D620 VanDerWaalsContact O-CG 3.28Å; T616-D620 PolarHBondContact O-N 3.05Å
617F91.8Very high90.6Very high37 Ų3754.5 Ų54.516%0.16228%0.276CS..Hα-helixtrans-53.5-45.6175.8168.4-96000112.9F537 Y573 A613 L614 I619 D620 L621F537-F617 HydrophobicContact CB-CE2 3.92Å; F537-F617 HydrophobicContact CB-CZ 4.44Å; F537-F617 HydrophobicContact CD1-CZ 4.19Å; F537-F617 AromaticContact CD2-CE2 3.49Å; F537-F617 HydrophobicContact CD2-CE2 3.49Å; F537-F617 VanDerWaalsContact CD2-CE2 3.49Å; F537-F617 AromaticContact CD2-CZ 3.49Å; F537-F617 HydrophobicContact CD2-CZ 3.49Å; F537-F617 VanDerWaalsContact CD2-CZ 3.49Å; F537-F617 HydrophobicContact CE1-CZ 4.29Å; F537-F617 HydrophobicContact CE2-CE2 4.06Å; F537-F617 AromaticContact CE2-CZ 3.58Å; F537-F617 HydrophobicContact CE2-CZ 3.58Å; F537-F617 AromaticContact CG-CE2 3.76Å; F537-F617 HydrophobicContact CG-CE2 3.76Å; F537-F617 AromaticContact CG-CZ 3.82Å; F537-F617 HydrophobicContact CG-CZ 3.82Å; F537-F617 HydrophobicContact CZ-CZ 4Å; Y573-F617 AromaticContact CD1-CD1 3.95Å; Y573-F617 HydrophobicContact CD1-CD1 3.95Å; Y573-F617 AromaticContact CD1-CE1 3.41Å; Y573-F617 HydrophobicContact CD1-CE1 3.41Å; Y573-F617 VanDerWaalsContact CD1-CE1 3.41Å; Y573-F617 AromaticContact CD1-CZ 3.79Å; Y573-F617 HydrophobicContact CD1-CZ 3.79Å; Y573-F617 AromaticContact CE1-CD1 3.65Å; Y573-F617 HydrophobicContact CE1-CD1 3.65Å; Y573-F617 HydrophobicContact CE1-CD2 4.42Å; Y573-F617 AromaticContact CE1-CE1 3.57Å; Y573-F617 HydrophobicContact CE1-CE1 3.57Å; Y573-F617 HydrophobicContact CE1-CE2 4.34Å; Y573-F617 HydrophobicContact CE1-CG 4.09Å; Y573-F617 AromaticContact CE1-CZ 3.93Å; Y573-F617 HydrophobicContact CE1-CZ 3.93Å; A613-F617 WeakPolarHBondContact O-CB 3.39Å; A613-F617 PolarHBondContact O-N 2.98Å; L614-F617 HydrophobicContact CD1-CD1 4.28Å; L614-F617 PolarHBondContact O-N 2.88Å; F617-I619 VanDerWaalsContact C-N 3.29Å; F617-I619 PolarHBondContact O-N 3.08Å; F617-D620 PolarHBondContact O-N 3.1Å; F617-L621 HydrophobicContact CD1-CD1 4.29Å; F617-L621 HydrophobicContact CE1-CD1 3.65Å; F617-L621 HydrophobicContact CE1-CG 4.23Å; F617-L621 HydrophobicContact CE2-CD2 4.18Å; F617-L621 HydrophobicContact CE2-CG 4.31Å; F617-L621 HydrophobicContact CZ-CD1 3.79Å; F617-L621 HydrophobicContact CZ-CD2 4.02Å; F617-L621 HydrophobicContact CZ-CG 4.05Å; F617-L621 WeakPolarHBondContact O-CG 3.31Å; F617-L621 PolarHBondContact O-N 3.37Å; F617-L621 VanDerWaalsContact O-N 3.11Å
618V90.1Very high90.5Very high15 Ų1555.3 Ų55.39%0.09128%0.279CS..Hα-helixtrans-65.3-31.5179.11700000112.7I574 L614 H615 T616 L632 M636I574-V618 HydrophobicContact CD1-CG2 3.85Å; I574-V618 HydrophobicContact CG1-CG2 4.38Å; L614-V618 WeakPolarHBondContact O-CG2 3.33Å; L614-V618 PolarHBondContact O-N 3.42Å; L614-V618 VanDerWaalsContact O-N 3.09Å; H615-V618 PolarHBondContact O-N 2.95Å; T616-V618 VanDerWaalsContact C-N 3.32Å; T616-V618 PolarHBondContact O-N 3.45Å; V618-L632 HydrophobicContact CG1-CB 3.88Å; V618-L632 HydrophobicContact CG1-CD1 4.41Å; V618-M636 HydrophobicContact CG2-SD 4.45Å
619I88.2Confident90.3Very high103 Ų10359.8 Ų59.853%0.52830%0.296SS..Hα-helixtrans-72-48.9173.9-69.3171.6000110.4H615 T616 F617 L621 N622H615-I619 PolarHBondContact O-N 3.36Å; T616-I619 WeakPolarHBondContact O-CB 3.43Å; T616-I619 PolarHBondContact O-N 3.42Å; F617-I619 VanDerWaalsContact C-N 3.29Å; F617-I619 PolarHBondContact O-N 3.08Å; I619-L621 PolarHBondContact O-N 3.3Å; I619-N622 PolarHBondContact O-N 3.1Å
620D89.9Confident90Very high75 Ų7556.6 Ų56.640%0.40129%0.287SS..Hα-helixtrans-65.5-23.3-174.4-68.6-7.8000112.8Q541 T616 F617 N622Q541-D620 PolarHBondContact NE2-O 3.43Å; T616-D620 VanDerWaalsContact CG2-OD2 3.28Å; T616-D620 WeakPolarHBondContact CG2-OD2 3.45Å; T616-D620 WeakPolarHBondContact O-CB 3.48Å; T616-D620 VanDerWaalsContact O-CG 3.28Å; T616-D620 PolarHBondContact O-N 3.05Å; F617-D620 PolarHBondContact O-N 3.1Å; D620-N622 PolarHBondContact O-N 3.13Å
621L90.4Very high90Very high3 Ų359 Ų592%0.01630%0.295CS..THydrogen-bonded Turntrans-60.7-20.6169.4-75.8175.8000114.1F540 N544 V570 F617 I619 W623F540-L621 HydrophobicContact CD1-CD2 3.72Å; F540-L621 HydrophobicContact CE1-CD2 3.89Å; N544-L621 PolarHBondContact ND2-O 3.03Å; V570-L621 HydrophobicContact CB-CD1 4.35Å; V570-L621 HydrophobicContact CG1-CD1 3.58Å; V570-L621 HydrophobicContact CG2-CD1 3.73Å; V570-L621 HydrophobicContact CG2-CD2 4.35Å; F617-L621 HydrophobicContact CD1-CD1 4.29Å; F617-L621 HydrophobicContact CE1-CD1 3.65Å; F617-L621 HydrophobicContact CE1-CG 4.23Å; F617-L621 HydrophobicContact CE2-CD2 4.18Å; F617-L621 HydrophobicContact CE2-CG 4.31Å; F617-L621 HydrophobicContact CZ-CD1 3.79Å; F617-L621 HydrophobicContact CZ-CD2 4.02Å; F617-L621 HydrophobicContact CZ-CG 4.05Å; F617-L621 WeakPolarHBondContact O-CG 3.31Å; F617-L621 PolarHBondContact O-N 3.37Å; F617-L621 VanDerWaalsContact O-N 3.11Å; I619-L621 PolarHBondContact O-N 3.3Å; L621-W623 VanDerWaalsContact C-N 3.28Å; L621-W623 PolarHBondContact O-N 3.21Å; L621-W623 VanDerWaalsContact O-N 3.14Å
622N88.8Confident89.9Confident64 Ų6458.9 Ų58.934%0.34230%0.295SS..  trans49.442.3175.4-164.68.7000114N544 D545 L548 I619 D620N544-N622 PolarHBondContact ND2-O 2.94Å; D545-N622 PolarHBondContact OD1-ND2 3.05Å; L548-N622 HydrophobicContact CD1-CB 4.23Å; L548-N622 WeakPolarHBondContact CD1-ND2 3.49Å; L548-N622 VanDerWaalsContact CD1-O 3.27Å; L548-N622 WeakPolarHBondContact CD1-O 3.25Å; I619-N622 PolarHBondContact O-N 3.1Å; D620-N622 PolarHBondContact O-N 3.13Å
623W92.3Very high89.8Confident3 Ų360 Ų601%0.01130%0.297CS..  trans-56.5127.2-164.5-158.8-88.9000113.3F540 V563 F566 Q567 V570 L621 E625 F628 R629 L632F540-W623 AromaticContact CE1-CE3 3.98Å; F540-W623 HydrophobicContact CE1-CE3 3.98Å; F540-W623 AromaticContact CE1-CZ3 3.72Å; F540-W623 HydrophobicContact CE1-CZ3 3.72Å; F540-W623 HydrophobicContact CE2-CH2 4.42Å; F540-W623 HydrophobicContact CE2-CZ3 4.22Å; F540-W623 AromaticContact CZ-CE3 3.81Å; F540-W623 HydrophobicContact CZ-CE3 3.81Å; F540-W623 HydrophobicContact CZ-CH2 4Å; F540-W623 AromaticContact CZ-CZ3 3.43Å; F540-W623 HydrophobicContact CZ-CZ3 3.43Å; F540-W623 VanDerWaalsContact CZ-CZ3 3.43Å; V563-W623 HydrophobicContact CB-CZ2 4.34Å; V563-W623 HydrophobicContact CG1-CH2 4.45Å; V563-W623 HydrophobicContact CG1-CZ2 3.51Å; V563-W623 WeakPolarHBondContact O-CH2 3.28Å; V563-W623 WeakPolarHBondContact O-CZ2 3.39Å; F566-W623 HydrophobicContact CB-CH2 4.37Å; Q567-W623 HydrophobicContact CB-CH2 3.98Å; Q567-W623 HydrophobicContact CB-CZ2 3.78Å; Q567-W623 HydrophobicContact CG-CZ2 4Å; V570-W623 HydrophobicContact CG2-CZ3 3.97Å; L621-W623 VanDerWaalsContact C-N 3.28Å; L621-W623 PolarHBondContact O-N 3.21Å; L621-W623 VanDerWaalsContact O-N 3.14Å; W623-E625 PolarHBondContact NE1-OE2 3.47Å; W623-F628 AromaticContact CD1-CD1 3.55Å; W623-F628 AromaticContact CD2-CD1 3.62Å; W623-F628 HydrophobicContact CD2-CD1 3.62Å; W623-F628 AromaticContact CD2-CE1 3.94Å; W623-F628 HydrophobicContact CD2-CE1 3.94Å; W623-F628 AromaticContact CE2-CD1 3.31Å; W623-F628 AromaticContact CE2-CE1 3.73Å; W623-F628 HydrophobicContact CE3-CD1 4.41Å; W623-F628 HydrophobicContact CE3-CE1 4.29Å; W623-F628 AromaticContact CG-CD1 3.76Å; W623-F628 HydrophobicContact CG-CD1 3.76Å; W623-F628 HydrophobicContact CG-CE1 4.47Å; W623-F628 HydrophobicContact CH2-CE1 4.29Å; W623-F628 AromaticContact CZ2-CD1 3.88Å; W623-F628 HydrophobicContact CZ2-CD1 3.88Å; W623-F628 AromaticContact CZ2-CE1 3.89Å; W623-F628 HydrophobicContact CZ2-CE1 3.89Å; W623-F628 HydrophobicContact CZ3-CE1 4.46Å; W623-F628 AromaticContact NE1-CD1 3.27Å; W623-F628 VanDerWaalsContact NE1-CD1 3.27Å; W623-F628 AromaticContact NE1-CG 3.84Å; W623-R629 HydrophobicContact CB-CB 4.38Å; W623-R629 PolarHBondContact O-NE 2.74Å; W623-R629 PolarHBondContact O-NH2 3.39Å; W623-L632 HydrophobicContact CB-CD1 4.35Å; W623-L632 HydrophobicContact CG-CD1 4.49Å
624P88.8Confident89.6Confident32 Ų3262.6 Ų62.621%0.20831%0.309CS..SBendtrans-70.9-40.8-169.225-33.5000113.7L548 H559 V563 E626L548-P624 HydrophobicContact CD2-CB 4.05Å; H559-P624 WeakPolarHBondContact NE2-CG 3.43Å; V563-P624 HydrophobicContact CG1-CG 4.33Å; V563-P624 HydrophobicContact CG2-CG 3.42Å; V563-P624 VanDerWaalsContact CG2-CG 3.42Å; P624-E626 PolarHBondContact O-N 2.77Å
625E90.1Very high89.5Confident70 Ų7063.9 Ų63.933%0.32731%0.314SS..  trans-73.6123.7-178.1-60.9174.5142.500111.5V563 W623 D627 F628 R629V563-E625 HydrophobicContact CG1-CG 4.21Å; W623-E625 PolarHBondContact NE1-OE2 3.47Å; E625-D627 PolarHBondContact O-N 2.66Å; E625-F628 HydrophobicContact CB-CB 4.38Å; E625-F628 PolarHBondContact O-N 2.69Å; E625-R629 VanDerWaalsContact O-CB 3.27Å; E625-R629 WeakPolarHBondContact O-CB 3.43Å; E625-R629 PolarHBondContact O-N 3.03Å
626E87.1Confident89.5Confident123 Ų12360.7 Ų60.758%0.57530%0.3SS*.Hα-helixtrans-63.6-40-176.2-166.7-177.6153.700112.6P624 R629 K630P624-E626 PolarHBondContact O-N 2.77Å; E626-R629 PolarHBondContact O-N 3.45Å; E626-K630 HydrophobicContact CG-CD 4.24Å; E626-K630 WeakPolarHBondContact O-CB 3.4Å; E626-K630 VanDerWaalsContact O-CG 3.31Å; E626-K630 WeakPolarHBondContact O-CG 3.39Å; E626-K630 PolarHBondContact O-N 2.91Å; E626-K630 WeakPolarHBondContact OE1-CE 3.35Å; E626-K630 IonicContact OE1-NZ 2.66Å; E626-K630 PolarHBondContact OE1-NZ 2.86Å
627D89.6Confident89.3Confident131 Ų13159.7 Ų59.770%0.70129%0.289SS*.Hα-helixtrans-65.8-45-179.2-68.9-33.6000112E625 K630 Y631E625-D627 PolarHBondContact O-N 2.66Å; D627-K630 PolarHBondContact O-N 3.34Å; D627-Y631 PolarHBondContact O-N 2.95Å
628F91.2Very high89.1Confident18 Ų1861 Ų618%0.07930%0.303CS..Hα-helixtrans-72.9-34.5177.2-169.3-103.9000112.1Q567 V571 W623 E625 K630 Y631 L632Q567-F628 HydrophobicContact CG-CD1 4.31Å; Q567-F628 HydrophobicContact CG-CD2 4.05Å; Q567-F628 HydrophobicContact CG-CE1 3.86Å; Q567-F628 HydrophobicContact CG-CE2 3.6Å; Q567-F628 HydrophobicContact CG-CG 4.36Å; Q567-F628 HydrophobicContact CG-CZ 3.48Å; Q567-F628 VanDerWaalsContact CG-CZ 3.48Å; V571-F628 HydrophobicContact CG2-CE2 3.89Å; V571-F628 HydrophobicContact CG2-CZ 3.68Å; W623-F628 AromaticContact CD1-CD1 3.55Å; W623-F628 AromaticContact CD2-CD1 3.62Å; W623-F628 HydrophobicContact CD2-CD1 3.62Å; W623-F628 AromaticContact CD2-CE1 3.94Å; W623-F628 HydrophobicContact CD2-CE1 3.94Å; W623-F628 AromaticContact CE2-CD1 3.31Å; W623-F628 AromaticContact CE2-CE1 3.73Å; W623-F628 HydrophobicContact CE3-CD1 4.41Å; W623-F628 HydrophobicContact CE3-CE1 4.29Å; W623-F628 AromaticContact CG-CD1 3.76Å; W623-F628 HydrophobicContact CG-CD1 3.76Å; W623-F628 HydrophobicContact CG-CE1 4.47Å; W623-F628 HydrophobicContact CH2-CE1 4.29Å; W623-F628 AromaticContact CZ2-CD1 3.88Å; W623-F628 HydrophobicContact CZ2-CD1 3.88Å; W623-F628 AromaticContact CZ2-CE1 3.89Å; W623-F628 HydrophobicContact CZ2-CE1 3.89Å; W623-F628 HydrophobicContact CZ3-CE1 4.46Å; W623-F628 AromaticContact NE1-CD1 3.27Å; W623-F628 VanDerWaalsContact NE1-CD1 3.27Å; W623-F628 AromaticContact NE1-CG 3.84Å; E625-F628 HydrophobicContact CB-CB 4.38Å; E625-F628 PolarHBondContact O-N 2.69Å; F628-K630 VanDerWaalsContact C-N 3.34Å; F628-K630 PolarHBondContact O-N 3.32Å; F628-Y631 AromaticContact CD2-CD1 3.69Å; F628-Y631 HydrophobicContact CD2-CD1 3.69Å; F628-Y631 HydrophobicContact CD2-CE1 4.38Å; F628-Y631 HydrophobicContact CD2-CG 4.36Å; F628-Y631 AromaticContact CE2-CD1 3.46Å; F628-Y631 HydrophobicContact CE2-CD1 3.46Å; F628-Y631 VanDerWaalsContact CE2-CD1 3.46Å; F628-Y631 AromaticContact CE2-CE1 3.71Å; F628-Y631 HydrophobicContact CE2-CE1 3.71Å; F628-Y631 HydrophobicContact CE2-CG 4.48Å; F628-Y631 HydrophobicContact CZ-CD1 4.16Å; F628-Y631 HydrophobicContact CZ-CE1 4.28Å; F628-Y631 WeakPolarHBondContact O-CB 3.43Å; F628-Y631 PolarHBondContact O-N 3.28Å; F628-L632 HydrophobicContact CD1-CD1 3.8Å; F628-L632 HydrophobicContact CD1-CD2 4.48Å; F628-L632 HydrophobicContact CD1-CG 3.86Å; F628-L632 HydrophobicContact CE1-CD1 3.56Å; F628-L632 HydrophobicContact CE1-CD2 3.74Å; F628-L632 HydrophobicContact CE1-CG 3.58Å; F628-L632 HydrophobicContact CZ-CD1 4.44Å; F628-L632 HydrophobicContact CZ-CD2 3.78Å; F628-L632 HydrophobicContact CZ-CG 4.04Å; F628-L632 WeakPolarHBondContact O-CG 3.39Å; F628-L632 PolarHBondContact O-N 3.24Å
629R88.2Confident89.1Confident95 Ų9560.4 Ų60.436%0.35830%0.299SS..Hα-helixtrans-59.1-44.9171.1-170.9-168.6-61.2-178.6-5.2111.4W623 E625 E626 L632 Q633W623-R629 HydrophobicContact CB-CB 4.38Å; W623-R629 PolarHBondContact O-NE 2.74Å; W623-R629 PolarHBondContact O-NH2 3.39Å; E625-R629 VanDerWaalsContact O-CB 3.27Å; E625-R629 WeakPolarHBondContact O-CB 3.43Å; E625-R629 PolarHBondContact O-N 3.03Å; E626-R629 PolarHBondContact O-N 3.45Å; R629-L632 PolarHBondContact O-N 3.03Å; R629-Q633 WeakPolarHBondContact O-CG 3.13Å; R629-Q633 PolarHBondContact O-N 3.16Å
630K87.8Confident89.2Confident99 Ų9956.1 Ų56.143%0.4328%0.278SS..Hα-helixtrans-62.3-41.4173.6-77.5167.7173.9165.60112.1E626 D627 F628 T634E626-K630 HydrophobicContact CG-CD 4.24Å; E626-K630 WeakPolarHBondContact O-CB 3.4Å; E626-K630 VanDerWaalsContact O-CG 3.31Å; E626-K630 WeakPolarHBondContact O-CG 3.39Å; E626-K630 PolarHBondContact O-N 2.91Å; E626-K630 WeakPolarHBondContact OE1-CE 3.35Å; E626-K630 IonicContact OE1-NZ 2.66Å; E626-K630 PolarHBondContact OE1-NZ 2.86Å; D627-K630 PolarHBondContact O-N 3.34Å; F628-K630 VanDerWaalsContact C-N 3.34Å; F628-K630 PolarHBondContact O-N 3.32Å; K630-T634 VanDerWaalsContact O-CB 3.31Å; K630-T634 WeakPolarHBondContact O-CB 3.49Å; K630-T634 PolarHBondContact O-N 3.46Å; K630-T634 PolarHBondContact O-OG1 3.09Å
631Y91.3Very high89.2Confident103 Ų10353.7 Ų53.740%0.40427%0.267SS..Hα-helixtrans-59.4-49.4173.7165.8-94.5000111.8V571 D627 F628 T634 K635V571-Y631 HydrophobicContact CG2-CE1 4.24Å; D627-Y631 PolarHBondContact O-N 2.95Å; F628-Y631 AromaticContact CD2-CD1 3.69Å; F628-Y631 HydrophobicContact CD2-CD1 3.69Å; F628-Y631 HydrophobicContact CD2-CE1 4.38Å; F628-Y631 HydrophobicContact CD2-CG 4.36Å; F628-Y631 AromaticContact CE2-CD1 3.46Å; F628-Y631 HydrophobicContact CE2-CD1 3.46Å; F628-Y631 VanDerWaalsContact CE2-CD1 3.46Å; F628-Y631 AromaticContact CE2-CE1 3.71Å; F628-Y631 HydrophobicContact CE2-CE1 3.71Å; F628-Y631 HydrophobicContact CE2-CG 4.48Å; F628-Y631 HydrophobicContact CZ-CD1 4.16Å; F628-Y631 HydrophobicContact CZ-CE1 4.28Å; F628-Y631 WeakPolarHBondContact O-CB 3.43Å; F628-Y631 PolarHBondContact O-N 3.28Å; Y631-T634 PolarHBondContact O-N 3.26Å; Y631-K635 HydrophobicContact CE1-CD 4.18Å; Y631-K635 WeakPolarHBondContact O-CB 3.29Å; Y631-K635 PolarHBondContact O-N 2.95Å
632L90.2Very high89.2Confident3 Ų356.8 Ų56.82%0.01628%0.284CS..Hα-helixtrans-59.8-47.5177.8-71.6179.7000111.9V570 I574 V618 W623 F628 R629 T634 K635 M636V570-L632 HydrophobicContact CG1-CD1 4.39Å; V570-L632 HydrophobicContact CG1-CD2 3.95Å; I574-L632 HydrophobicContact CD1-CD2 3.57Å; V618-L632 HydrophobicContact CG1-CB 3.88Å; V618-L632 HydrophobicContact CG1-CD1 4.41Å; W623-L632 HydrophobicContact CB-CD1 4.35Å; W623-L632 HydrophobicContact CG-CD1 4.49Å; F628-L632 HydrophobicContact CD1-CD1 3.8Å; F628-L632 HydrophobicContact CD1-CD2 4.48Å; F628-L632 HydrophobicContact CD1-CG 3.86Å; F628-L632 HydrophobicContact CE1-CD1 3.56Å; F628-L632 HydrophobicContact CE1-CD2 3.74Å; F628-L632 HydrophobicContact CE1-CG 3.58Å; F628-L632 HydrophobicContact CZ-CD1 4.44Å; F628-L632 HydrophobicContact CZ-CD2 3.78Å; F628-L632 HydrophobicContact CZ-CG 4.04Å; F628-L632 WeakPolarHBondContact O-CG 3.39Å; F628-L632 PolarHBondContact O-N 3.24Å; R629-L632 PolarHBondContact O-N 3.03Å; L632-T634 VanDerWaalsContact C-N 3.34Å; L632-T634 PolarHBondContact O-N 3.48Å; L632-K635 PolarHBondContact O-N 3.29Å; L632-M636 WeakPolarHBondContact O-CB 3.44Å; L632-M636 PolarHBondContact O-N 3.27Å
633Q87.2Confident89.5Confident100 Ų10053.8 Ų53.847%0.46727%0.267SS..Hα-helixtrans-60.1-43176.3-73.2176.1-1200111.9R629 K637R629-Q633 WeakPolarHBondContact O-CG 3.13Å; R629-Q633 PolarHBondContact O-N 3.16Å; Q633-K637 WeakPolarHBondContact O-CB 3.38Å; Q633-K637 WeakPolarHBondContact O-CG 3.3Å; Q633-K637 PolarHBondContact O-N 2.94Å
634T87.6Confident89.5Confident99 Ų9953.8 Ų53.861%0.60727%0.267SS*.Hα-helixtrans-66.3-43.8178.3-55.80000111.3K630 Y631 L632 K637 S638K630-T634 VanDerWaalsContact O-CB 3.31Å; K630-T634 WeakPolarHBondContact O-CB 3.49Å; K630-T634 PolarHBondContact O-N 3.46Å; K630-T634 PolarHBondContact O-OG1 3.09Å; Y631-T634 PolarHBondContact O-N 3.26Å; L632-T634 VanDerWaalsContact C-N 3.34Å; L632-T634 PolarHBondContact O-N 3.48Å; T634-K637 PolarHBondContact O-N 3.29Å; T634-S638 PolarHBondContact O-N 3.48Å
635K89.6Confident89.7Confident28 Ų2853.9 Ų53.912%0.12227%0.269CS..Hα-helixtrans-61.2-47.2176.4-172.1176.8-171.9177.30111.1I574 D575 Y631 L632 K637 S638 L639I574-K635 HydrophobicContact CG2-CD 3.93Å; I574-K635 HydrophobicContact CG2-CG 4.35Å; D575-K635 VanDerWaalsContact OD1-CE 3.28Å; D575-K635 WeakPolarHBondContact OD1-CE 3.33Å; D575-K635 IonicContact OD1-NZ 3.85Å; D575-K635 PolarHBondContact OD1-NZ 2.99Å; D575-K635 IonicContact OD2-NZ 3.11Å; D575-K635 PolarHBondContact OD2-NZ 3.24Å; Y631-K635 HydrophobicContact CE1-CD 4.18Å; Y631-K635 WeakPolarHBondContact O-CB 3.29Å; Y631-K635 PolarHBondContact O-N 2.95Å; L632-K635 PolarHBondContact O-N 3.29Å; K635-K637 VanDerWaalsContact C-N 3.34Å; K635-K637 PolarHBondContact O-N 2.83Å; K635-S638 PolarHBondContact O-N 3.44Å; K635-L639 WeakPolarHBondContact O-CB 3.24Å; K635-L639 PolarHBondContact O-N 2.89Å
636M89.9Confident89.8Confident3 Ų354.5 Ų54.52%0.01527%0.271CS..Hα-helixtrans-62.8-38.5178.2-166.866.4-127.300112L611 L614 H615 V618 L632 L639 T640L611-M636 HydrophobicContact CD2-CE 4.35Å; L614-M636 HydrophobicContact CB-CE 4.32Å; L614-M636 HydrophobicContact CB-SD 4.39Å; L614-M636 HydrophobicContact CD2-CE 4.07Å; L614-M636 HydrophobicContact CD2-SD 4Å; L614-M636 HydrophobicContact CG-CE 4.21Å; L614-M636 HydrophobicContact CG-SD 3.82Å; H615-M636 HydrophobicContact CB-CE 4.4Å; H615-M636 HydrophobicContact CB-CG 4.34Å; V618-M636 HydrophobicContact CG2-SD 4.45Å; L632-M636 WeakPolarHBondContact O-CB 3.44Å; L632-M636 PolarHBondContact O-N 3.27Å; M636-L639 HydrophobicContact CE-CD2 4Å; M636-T640 WeakPolarHBondContact CE-OG1 3.31Å; M636-T640 WeakPolarHBondContact O-CB 3.48Å; M636-T640 PolarHBondContact O-N 3.46Å; M636-T640 PolarHBondContact O-OG1 2.87Å; M636-T640 VanDerWaalsContact O-OG1 3.09Å
637K85.4Confident90.2Very high50 Ų5048.6 Ų48.622%0.21724%0.243CC..Hα-helixtrans-64.3-41.5173.7-76.1-179.8-179.9-173.10112.8Q633 T634 K635 S641 V691 D694 S695Q633-K637 WeakPolarHBondContact O-CB 3.38Å; Q633-K637 WeakPolarHBondContact O-CG 3.3Å; Q633-K637 PolarHBondContact O-N 2.94Å; T634-K637 PolarHBondContact O-N 3.29Å; K635-K637 VanDerWaalsContact C-N 3.34Å; K635-K637 PolarHBondContact O-N 2.83Å; K637-S641 WeakPolarHBondContact O-CB 3.25Å; K637-S641 PolarHBondContact O-N 3.42Å; K637-S641 VanDerWaalsContact O-N 3.14Å; K637-V691 HydrophobicContact CB-CG1 4.46Å; K637-V691 HydrophobicContact CG-CG1 4.11Å; K637-D694 PolarHBondContact NZ-O 3.47Å; K637-S695 PolarHBondContact NZ-OG 3.48Å
638S87.8Confident90.4Very high64 Ų6442.4 Ų42.445%0.44821%0.21SC..Hα-helixtrans-64.2-53.1174.1-161.70000110.6T634 K635 T640 S641 D642T634-S638 PolarHBondContact O-N 3.48Å; K635-S638 PolarHBondContact O-N 3.44Å; S638-T640 PolarHBondContact O-N 3.25Å; S638-S641 CarbonylContact O-C 3.56Å; S638-S641 WeakPolarHBondContact O-CA 3.31Å; S638-S641 VanDerWaalsContact O-CB 3.31Å; S638-S641 WeakPolarHBondContact O-CB 3.27Å; S638-S641 PolarHBondContact O-N 3.35Å; S638-D642 WeakPolarHBondContact O-CB 3.39Å; S638-D642 VanDerWaalsContact O-CG 3.25Å; S638-D642 PolarHBondContact O-N 3.1Å; S638-D642 VanDerWaalsContact O-OD2 3.04Å; S638-D642 PolarHBondContact OG-OD2 3.05Å
639L90.7Very high90.6Very high2 Ų244.9 Ų44.91%0.0122%0.224CC..Hα-helixtrans-52-51.6-179.7-170.4167.2000111.3I574 E578 L611 L614 K635 M636 S641 D642 M643I574-L639 HydrophobicContact CG2-CD1 3.81Å; E578-L639 HydrophobicContact CB-CD1 3.75Å; E578-L639 HydrophobicContact CB-CG 4.13Å; E578-L639 HydrophobicContact CG-CD1 4.12Å; E578-L639 HydrophobicContact CG-CG 3.97Å; L611-L639 HydrophobicContact CD2-CD2 3.36Å; L614-L639 HydrophobicContact CD2-CD1 3.92Å; L614-L639 HydrophobicContact CD2-CD2 4.41Å; K635-L639 WeakPolarHBondContact O-CB 3.24Å; K635-L639 PolarHBondContact O-N 2.89Å; M636-L639 HydrophobicContact CE-CD2 4Å; L639-S641 PolarHBondContact O-N 3.01Å; L639-D642 PolarHBondContact O-N 2.61Å; L639-M643 HydrophobicContact CD2-CG 3.98Å; L639-M643 VanDerWaalsContact O-CG 3.3Å; L639-M643 WeakPolarHBondContact O-CG 3.17Å; L639-M643 PolarHBondContact O-N 3.47Å
640T90.1Very high90.9Very high14 Ų1442 Ų429%0.08622%0.219CC..Hα-helixtrans-62.1-41.5177.8-60.60000112.2M636 S638 I644 V691M636-T640 WeakPolarHBondContact CE-OG1 3.31Å; M636-T640 WeakPolarHBondContact O-CB 3.48Å; M636-T640 PolarHBondContact O-N 3.46Å; M636-T640 PolarHBondContact O-OG1 2.87Å; M636-T640 VanDerWaalsContact O-OG1 3.09Å; S638-T640 PolarHBondContact O-N 3.25Å; T640-I644 HydrophobicContact CG2-CD1 3.72Å; T640-I644 HydrophobicContact CG2-CG1 4.36Å; T640-I644 WeakPolarHBondContact O-CB 3.28Å; T640-I644 VanDerWaalsContact O-CG1 3.23Å; T640-I644 WeakPolarHBondContact O-CG1 3.39Å; T640-I644 PolarHBondContact O-N 2.72Å; T640-V691 HydrophobicContact CG2-CG2 3.67Å
641S89.4Confident91.2Very high24 Ų2437.3 Ų37.317%0.16820%0.198CC..Hα-helixtrans-60.3-46.8175.6-1760000111.9K637 S638 L639 I644 S645K637-S641 WeakPolarHBondContact O-CB 3.25Å; K637-S641 PolarHBondContact O-N 3.42Å; K637-S641 VanDerWaalsContact O-N 3.14Å; S638-S641 CarbonylContact O-C 3.56Å; S638-S641 WeakPolarHBondContact O-CA 3.31Å; S638-S641 VanDerWaalsContact O-CB 3.31Å; S638-S641 WeakPolarHBondContact O-CB 3.27Å; S638-S641 PolarHBondContact O-N 3.35Å; L639-S641 PolarHBondContact O-N 3.01Å; S641-I644 PolarHBondContact O-N 2.83Å; S641-S645 PolarHBondContact O-N 2.97Å
642D90.9Very high91.3Very high68 Ų6834.8 Ų34.836%0.36419%0.189SC..Hα-helixtrans-69.4-37.4-176.9-64.6-39.7000111.7S638 L639 K646S638-D642 WeakPolarHBondContact O-CB 3.39Å; S638-D642 VanDerWaalsContact O-CG 3.25Å; S638-D642 PolarHBondContact O-N 3.1Å; S638-D642 VanDerWaalsContact O-OD2 3.04Å; S638-D642 PolarHBondContact OG-OD2 3.05Å; L639-D642 PolarHBondContact O-N 2.61Å; D642-K646 WeakPolarHBondContact O-CG 3.45Å; D642-K646 PolarHBondContact O-N 3.47Å
643M93.8Very high91.5Very high0 Ų038.8 Ų38.80%021%0.214CC..Hα-helixtrans-72.2-39174.6-62.3-49.6130.800112.6E578 I581 A582 I585 L611 L639 S645 K646 V647E578-M643 HydrophobicContact CG-CE 3.7Å; I581-M643 HydrophobicContact CG2-CB 4.33Å; I581-M643 HydrophobicContact CG2-CG 3.79Å; I581-M643 HydrophobicContact CG2-SD 4.03Å; A582-M643 HydrophobicContact CB-CE 4.27Å; A582-M643 HydrophobicContact CB-SD 3.99Å; I585-M643 HydrophobicContact CD1-CB 4.15Å; I585-M643 HydrophobicContact CD1-CG 4.5Å; I585-M643 HydrophobicContact CD1-SD 3.89Å; L611-M643 HydrophobicContact CD1-CB 3.86Å; L611-M643 HydrophobicContact CD2-CB 4.12Å; L611-M643 HydrophobicContact CD2-CG 4.07Å; L639-M643 HydrophobicContact CD2-CG 3.98Å; L639-M643 VanDerWaalsContact O-CG 3.3Å; L639-M643 WeakPolarHBondContact O-CG 3.17Å; L639-M643 PolarHBondContact O-N 3.47Å; M643-S645 VanDerWaalsContact C-N 3.33Å; M643-K646 PolarHBondContact O-N 2.88Å; M643-K646 HydrophobicContact SD-CD 4.21Å; M643-V647 VanDerWaalsContact O-CG2 3.32Å; M643-V647 WeakPolarHBondContact O-CG2 3.38Å; M643-V647 PolarHBondContact O-N 3.48Å
644I92.9Very high91.8Very high3 Ų335 Ų352%0.01520%0.2CC..Hα-helixtrans-63.1-40.9173.2-69.6170.6000110.5Y608 T640 S641 V647 S648 R687 L704 L708Y608-I644 HydrophobicContact CE1-CG1 4.38Å; T640-I644 HydrophobicContact CG2-CD1 3.72Å; T640-I644 HydrophobicContact CG2-CG1 4.36Å; T640-I644 WeakPolarHBondContact O-CB 3.28Å; T640-I644 VanDerWaalsContact O-CG1 3.23Å; T640-I644 WeakPolarHBondContact O-CG1 3.39Å; T640-I644 PolarHBondContact O-N 2.72Å; S641-I644 PolarHBondContact O-N 2.83Å; I644-V647 PolarHBondContact O-N 3.49Å; I644-S648 WeakPolarHBondContact O-CB 3.24Å; I644-S648 PolarHBondContact O-N 3.01Å; I644-S648 PolarHBondContact O-OG 3.38Å; I644-R687 HydrophobicContact CD1-CB 3.93Å; I644-L704 HydrophobicContact CB-CD2 4.28Å; I644-L704 HydrophobicContact CG2-CD2 4.08Å; I644-L708 HydrophobicContact CG2-CD1 4.22Å
645S92.4Very high92.1Very high35 Ų3530.4 Ų30.425%0.24517%0.171CC..Hα-helixtrans-57.9-53.5173.5-166.10000110.8S641 M643 V647 S648 D649S641-S645 PolarHBondContact O-N 2.97Å; M643-S645 VanDerWaalsContact C-N 3.33Å; S645-V647 PolarHBondContact O-N 3.15Å; S645-S648 CarbonylContact O-C 3.42Å; S645-S648 WeakPolarHBondContact O-CA 3.25Å; S645-S648 WeakPolarHBondContact O-CB 3.2Å; S645-S648 PolarHBondContact O-N 2.88Å; S645-D649 PolarHBondContact O-N 3.37Å; S645-D649 VanDerWaalsContact O-OD2 3.06Å; S645-D649 PolarHBondContact OG-OD2 2.89Å
646K93.2Very high92.2Very high82 Ų8231.9 Ų31.936%0.35718%0.181SC..Hα-helixtrans-58.8-41.7180-73.4175.1-176.5174.90113.6I585 D642 M643 S648 C650I585-K646 HydrophobicContact CD1-CB 4.03Å; I585-K646 HydrophobicContact CG2-CB 4.29Å; D642-K646 WeakPolarHBondContact O-CG 3.45Å; D642-K646 PolarHBondContact O-N 3.47Å; M643-K646 PolarHBondContact O-N 2.88Å; M643-K646 HydrophobicContact SD-CD 4.21Å; K646-S648 VanDerWaalsContact C-N 3.26Å; K646-S648 PolarHBondContact O-N 3.15Å; K646-C650 WeakPolarHBondContact O-CB 3.39Å; K646-C650 PolarHBondContact O-N 3.38Å; K646-C650 PolarHBondContact O-SG 3.22Å
647V95Very high92.2Very high0 Ų034.3 Ų34.30%020%0.198CC..Hα-helixtrans-57.9-43.2173.5165.50000110.6I585 F589 I607 Y608 M643 I644 S645 T651 V680I585-V647 HydrophobicContact CD1-CG2 3.88Å; I585-V647 HydrophobicContact CG1-CG2 3.98Å; F589-V647 HydrophobicContact CE2-CB 4.42Å; F589-V647 HydrophobicContact CE2-CG1 4.26Å; F589-V647 HydrophobicContact CE2-CG2 4.1Å; F589-V647 HydrophobicContact CZ-CG1 3.88Å; F589-V647 HydrophobicContact CZ-CG2 4.48Å; I607-V647 HydrophobicContact CG2-CG2 3.85Å; Y608-V647 HydrophobicContact CE1-CG1 4.38Å; Y608-V647 WeakPolarHBondContact OH-CG1 3.39Å; M643-V647 VanDerWaalsContact O-CG2 3.32Å; M643-V647 WeakPolarHBondContact O-CG2 3.38Å; M643-V647 PolarHBondContact O-N 3.48Å; I644-V647 PolarHBondContact O-N 3.49Å; S645-V647 PolarHBondContact O-N 3.15Å; V647-T651 VanDerWaalsContact O-CB 3.31Å; V647-T651 WeakPolarHBondContact O-CB 3.38Å; V647-T651 PolarHBondContact O-N 2.98Å; V647-T651 PolarHBondContact O-OG1 3.44Å; V647-V680 HydrophobicContact CG1-CG1 3.91Å
648S94.1Very high92.4Very high1 Ų135.7 Ų35.71%0.00720%0.202CC..Hα-helixtrans-72.6-42.5-177.3-53.60000112I644 S645 K646 C650 T651 F652 S684 L708I644-S648 WeakPolarHBondContact O-CB 3.24Å; I644-S648 PolarHBondContact O-N 3.01Å; I644-S648 PolarHBondContact O-OG 3.38Å; S645-S648 CarbonylContact O-C 3.42Å; S645-S648 WeakPolarHBondContact O-CA 3.25Å; S645-S648 WeakPolarHBondContact O-CB 3.2Å; S645-S648 PolarHBondContact O-N 2.88Å; K646-S648 VanDerWaalsContact C-N 3.26Å; K646-S648 PolarHBondContact O-N 3.15Å; S648-C650 PolarHBondContact O-N 3.12Å; S648-T651 PolarHBondContact O-N 2.97Å; S648-F652 VanDerWaalsContact O-CB 3.31Å; S648-F652 WeakPolarHBondContact O-CB 3.28Å; S648-F652 PolarHBondContact O-N 3.31Å; S648-S684 WeakPolarHBondContact OG-CB 3.39Å; S648-S684 PolarHBondContact OG-OG 2.97Å; S648-L708 VanDerWaalsContact CB-CD2 3.45Å; S648-L708 WeakPolarHBondContact OG-CD2 3.26Å
649D94.3Very high92.5Very high69 Ų6932.8 Ų32.837%0.36918%0.181SC..Hα-helixtrans-60-44.5173.8-68.5-47.3000111.7S645 T653 M711S645-D649 PolarHBondContact O-N 3.37Å; S645-D649 VanDerWaalsContact O-OD2 3.06Å; S645-D649 PolarHBondContact OG-OD2 2.89Å; D649-T653 WeakPolarHBondContact O-CB 3.38Å; D649-T653 PolarHBondContact O-N 3.43Å; D649-T653 PolarHBondContact O-OG1 3.28Å; D649-M711 VanDerWaalsContact OD1-CE 3.26Å; D649-M711 WeakPolarHBondContact OD1-CE 3.42Å
650C94.4Very high92.4Very high36 Ų3639.2 Ų39.224%0.24321%0.211CC..Hα-helixtrans-63.8-42.9175.4-68.50000111.9F589 K646 S648 T653 A654F589-C650 HydrophobicContact CB-CB 4.06Å; F589-C650 HydrophobicContact CD1-CB 4.44Å; F589-C650 HydrophobicContact CD2-CB 4.03Å; F589-C650 HydrophobicContact CG-CB 3.91Å; K646-C650 WeakPolarHBondContact O-CB 3.39Å; K646-C650 PolarHBondContact O-N 3.38Å; K646-C650 PolarHBondContact O-SG 3.22Å; S648-C650 PolarHBondContact O-N 3.12Å; C650-T653 PolarHBondContact O-N 3.41Å; C650-A654 WeakPolarHBondContact O-CB 3.43Å; C650-A654 PolarHBondContact O-N 3.48Å
651T94.6Very high92.1Very high0 Ų046.2 Ų46.20%024%0.236CC..Hα-helixtrans-65.9-45179.1-60.30000111.6W594 V647 S648 A654 F655 Q677 V680 M681W594-T651 HydrophobicContact CH2-CG2 4Å; W594-T651 HydrophobicContact CZ3-CG2 4Å; V647-T651 VanDerWaalsContact O-CB 3.31Å; V647-T651 WeakPolarHBondContact O-CB 3.38Å; V647-T651 PolarHBondContact O-N 2.98Å; V647-T651 PolarHBondContact O-OG1 3.44Å; S648-T651 PolarHBondContact O-N 2.97Å; T651-A654 PolarHBondContact O-N 3.49Å; T651-F655 WeakPolarHBondContact O-CB 3.1Å; T651-F655 PolarHBondContact O-N 2.92Å; T651-Q677 HydrophobicContact CG2-CB 3.87Å; T651-Q677 HydrophobicContact CG2-CG 4.25Å; T651-Q677 VanDerWaalsContact CG2-O 3.24Å; T651-Q677 WeakPolarHBondContact CG2-O 3.29Å; T651-V680 HydrophobicContact CG2-CB 4.1Å; T651-V680 HydrophobicContact CG2-CG1 4.11Å; T651-V680 WeakPolarHBondContact OG1-CG1 3.49Å; T651-M681 HydrophobicContact CG2-CG 3.96Å; T651-M681 HydrophobicContact CG2-SD 4.15Å
652F94.8Very high91.9Very high49 Ų4945.9 Ų45.922%0.21524%0.235CC..Hα-helixtrans-65-39.1177-170.9-92.4000111.9S648 F655 D656 M711 T714 M715S648-F652 VanDerWaalsContact O-CB 3.31Å; S648-F652 WeakPolarHBondContact O-CB 3.28Å; S648-F652 PolarHBondContact O-N 3.31Å; F652-F655 WeakPolarHBondContact O-CB 3.49Å; F652-F655 PolarHBondContact O-N 2.69Å; F652-D656 PolarHBondContact O-N 3.45Å; F652-M711 HydrophobicContact CB-SD 4.46Å; F652-M711 HydrophobicContact CD2-CB 3.91Å; F652-M711 HydrophobicContact CD2-CG 4.02Å; F652-M711 HydrophobicContact CE2-CB 4.21Å; F652-M711 HydrophobicContact CE2-CG 4.38Å; F652-M711 HydrophobicContact CG-CG 4.38Å; F652-T714 HydrophobicContact CE2-CG2 4.17Å; F652-T714 HydrophobicContact CZ-CG2 3.82Å; F652-M715 HydrophobicContact CD2-CG 3.9Å; F652-M715 HydrophobicContact CD2-SD 4.19Å; F652-M715 HydrophobicContact CE2-CG 3.84Å
653T93.8Very high91.5Very high87 Ų8749.7 Ų49.753%0.53425%0.248SC..Hα-helixtrans-64.7-40.7175.2-58.50000111.9D649 C650 S657D649-T653 WeakPolarHBondContact O-CB 3.38Å; D649-T653 PolarHBondContact O-N 3.43Å; D649-T653 PolarHBondContact O-OG1 3.28Å; C650-T653 PolarHBondContact O-N 3.41Å; T653-S657 WeakPolarHBondContact O-CB 3.22Å; T653-S657 PolarHBondContact O-N 3.07Å; T653-S657 VanDerWaalsContact O-N 3.1Å; T653-S657 PolarHBondContact O-OG 2.92Å
654A92.2Very high91Very high22 Ų2253.8 Ų53.818%0.18227%0.266CS..Hα-helixtrans-64.9-42.7174.400000111.6W594 C650 T651 S657 W658W594-A654 HydrophobicContact CH2-CB 4.26Å; W594-A654 HydrophobicContact CZ2-CB 3.5Å; W594-A654 VanDerWaalsContact CZ2-CB 3.5Å; C650-A654 WeakPolarHBondContact O-CB 3.43Å; C650-A654 PolarHBondContact O-N 3.48Å; T651-A654 PolarHBondContact O-N 3.49Å; A654-S657 PolarHBondContact O-N 3Å; A654-W658 PolarHBondContact O-N 3.41Å; A654-W658 VanDerWaalsContact O-N 3.11Å
655F94.6Very high90.6Very high1 Ų155 Ų550%0.00428%0.275CS..Hα-helixtrans-59.3-53.3175.1170.4-91.1000112.5T651 F652 S657 W658 M659 V674 Q677 M715 C718 I719T651-F655 WeakPolarHBondContact O-CB 3.1Å; T651-F655 PolarHBondContact O-N 2.92Å; F652-F655 WeakPolarHBondContact O-CB 3.49Å; F652-F655 PolarHBondContact O-N 2.69Å; F655-S657 VanDerWaalsContact C-N 3.28Å; F655-S657 PolarHBondContact O-N 2.88Å; F655-W658 WeakPolarHBondContact O-CA 3.32Å; F655-W658 WeakPolarHBondContact O-CB 3.21Å; F655-W658 PolarHBondContact O-N 2.93Å; F655-M659 HydrophobicContact CD1-CG 4.06Å; F655-M659 HydrophobicContact CD2-CG 4.19Å; F655-M659 HydrophobicContact CE1-CG 3.61Å; F655-M659 HydrophobicContact CE2-CG 3.76Å; F655-M659 HydrophobicContact CE2-SD 4.15Å; F655-M659 HydrophobicContact CG-CG 4.33Å; F655-M659 HydrophobicContact CZ-CE 4.46Å; F655-M659 HydrophobicContact CZ-CG 3.45Å; F655-M659 VanDerWaalsContact CZ-CG 3.45Å; F655-M659 HydrophobicContact CZ-SD 4.14Å; F655-M659 WeakPolarHBondContact O-CG 3.13Å; F655-M659 PolarHBondContact O-N 2.93Å; F655-V674 HydrophobicContact CD2-CG1 3.81Å; F655-V674 HydrophobicContact CE2-CG1 3.65Å; F655-Q677 VanDerWaalsContact CA-OE1 3.23Å; F655-M715 HydrophobicContact CB-CE 3.9Å; F655-M715 HydrophobicContact CD1-CB 4.45Å; F655-M715 HydrophobicContact CD1-CE 4.18Å; F655-M715 HydrophobicContact CD1-CG 3.76Å; F655-M715 HydrophobicContact CD2-CE 3.44Å; F655-M715 VanDerWaalsContact CD2-CE 3.44Å; F655-M715 HydrophobicContact CD2-CG 4.36Å; F655-M715 HydrophobicContact CE1-CB 3.85Å; F655-M715 HydrophobicContact CE1-CG 3.62Å; F655-M715 HydrophobicContact CE2-CB 4.1Å; F655-M715 HydrophobicContact CE2-CE 3.96Å; F655-M715 HydrophobicContact CE2-CG 4.23Å; F655-M715 HydrophobicContact CG-CE 3.56Å; F655-M715 HydrophobicContact CG-CG 4.14Å; F655-M715 HydrophobicContact CZ-CB 3.63Å; F655-M715 HydrophobicContact CZ-CG 3.86Å; F655-C718 HydrophobicContact CE1-CB 3.95Å; F655-C718 HydrophobicContact CZ-CB 4.05Å; F655-I719 HydrophobicContact CE2-CD1 3.97Å; F655-I719 HydrophobicContact CE2-CG1 4.05Å; F655-I719 HydrophobicContact CZ-CD1 4.17Å; F655-I719 HydrophobicContact CZ-CG1 3.98Å
656D92.3Very high90.1Very high60 Ų6054.1 Ų54.132%0.32127%0.268SS..Hα-helixtrans-60.2-41.2179.7-176.649.9000111F652 W658 M659 Q660F652-D656 PolarHBondContact O-N 3.45Å; D656-W658 PolarHBondContact O-N 3.5Å; D656-M659 PolarHBondContact O-N 3.31Å; D656-M659 VanDerWaalsContact O-N 3.07Å; D656-Q660 WeakPolarHBondContact O-CB 3.4Å; D656-Q660 WeakPolarHBondContact O-CG 3.13Å; D656-Q660 PolarHBondContact O-N 3.31Å; D656-Q660 PolarHBondContact OD2-NE2 2.95Å
657S90.4Very high89.5Confident54 Ų5457 Ų5738%0.37829%0.287SS..Hα-helixtrans-59.8-28.5173.9-60.30000113.8T653 A654 F655 R661T653-S657 WeakPolarHBondContact O-CB 3.22Å; T653-S657 PolarHBondContact O-N 3.07Å; T653-S657 VanDerWaalsContact O-N 3.1Å; T653-S657 PolarHBondContact O-OG 2.92Å; A654-S657 PolarHBondContact O-N 3Å; F655-S657 VanDerWaalsContact C-N 3.28Å; F655-S657 PolarHBondContact O-N 2.88Å; S657-R661 PolarHBondContact O-NE 3.08Å
658W89.8Confident89Confident78 Ų7858.2 Ų58.230%0.29529%0.292SS..Hα-helixtrans-78.2-45.6170-89.597.6000111.9A654 F655 D656 Q660 R661 A662 P671 E673 V674A654-W658 PolarHBondContact O-N 3.41Å; A654-W658 VanDerWaalsContact O-N 3.11Å; F655-W658 WeakPolarHBondContact O-CA 3.32Å; F655-W658 WeakPolarHBondContact O-CB 3.21Å; F655-W658 PolarHBondContact O-N 2.93Å; D656-W658 PolarHBondContact O-N 3.5Å; W658-Q660 VanDerWaalsContact C-N 3.33Å; W658-Q660 PolarHBondContact O-N 2.85Å; W658-R661 PolarHBondContact O-N 3.38Å; W658-A662 PolarHBondContact O-N 3.06Å; W658-P671 HydrophobicContact CE3-CB 4.4Å; W658-P671 HydrophobicContact CE3-CG 3.64Å; W658-P671 HydrophobicContact CH2-CB 4.18Å; W658-P671 HydrophobicContact CH2-CG 4.14Å; W658-P671 HydrophobicContact CZ3-CB 3.94Å; W658-P671 HydrophobicContact CZ3-CG 3.39Å; W658-E673 HydrophobicContact CZ2-CB 4.47Å; W658-V674 HydrophobicContact CB-CG2 4.12Å; W658-V674 HydrophobicContact CG-CG2 4.33Å
659M89.1Confident88.5Confident3 Ų362.6 Ų62.62%0.01531%0.313CS..Hα-helixtrans-66.4-30.8-177.7-66.6-53.5-72.800113.5F655 D656 R661 A662 V674 C718 I719 K722F655-M659 HydrophobicContact CD1-CG 4.06Å; F655-M659 HydrophobicContact CD2-CG 4.19Å; F655-M659 HydrophobicContact CE1-CG 3.61Å; F655-M659 HydrophobicContact CE2-CG 3.76Å; F655-M659 HydrophobicContact CE2-SD 4.15Å; F655-M659 HydrophobicContact CG-CG 4.33Å; F655-M659 HydrophobicContact CZ-CE 4.46Å; F655-M659 HydrophobicContact CZ-CG 3.45Å; F655-M659 VanDerWaalsContact CZ-CG 3.45Å; F655-M659 HydrophobicContact CZ-SD 4.14Å; F655-M659 WeakPolarHBondContact O-CG 3.13Å; F655-M659 PolarHBondContact O-N 2.93Å; D656-M659 PolarHBondContact O-N 3.31Å; D656-M659 VanDerWaalsContact O-N 3.07Å; M659-R661 VanDerWaalsContact C-N 3.26Å; M659-R661 PolarHBondContact O-N 2.88Å; M659-A662 WeakPolarHBondContact O-CB 3.38Å; M659-A662 PolarHBondContact O-N 2.91Å; M659-V674 HydrophobicContact SD-CG1 4.5Å; M659-C718 VanDerWaalsContact CE-C 3.49Å; M659-C718 HydrophobicContact CE-CB 4.21Å; M659-C718 VanDerWaalsContact CE-O 3.24Å; M659-C718 WeakPolarHBondContact CE-O 3.25Å; M659-I719 HydrophobicContact CE-CB 4.37Å; M659-I719 HydrophobicContact CE-CG1 3.93Å; M659-I719 HydrophobicContact SD-CG1 4.4Å; M659-K722 HydrophobicContact CE-CB 4.05Å; M659-K722 HydrophobicContact CE-CG 3.41Å; M659-K722 VanDerWaalsContact CE-CG 3.41Å; M659-K722 WeakPolarHBondContact O-CE 3.47Å
660Q87.4Confident88.1Confident137 Ų13759.7 Ų59.764%0.6430%0.298SS*.THydrogen-bonded Turntrans-64.7-28.1170.3-70.9-176.12200112.8D656 W658D656-Q660 WeakPolarHBondContact O-CB 3.4Å; D656-Q660 WeakPolarHBondContact O-CG 3.13Å; D656-Q660 PolarHBondContact O-N 3.31Å; D656-Q660 PolarHBondContact OD2-NE2 2.95Å; W658-Q660 VanDerWaalsContact C-N 3.33Å; W658-Q660 PolarHBondContact O-N 2.85Å
661R85.5Confident87.8Confident162 Ų16258.9 Ų58.961%0.61129%0.292SS*.THydrogen-bonded Turntrans-90.4-8179.6-66.8-179.7-70155.95.1113.7S657 W658 M659S657-R661 PolarHBondContact O-NE 3.08Å; W658-R661 PolarHBondContact O-N 3.38Å; M659-R661 VanDerWaalsContact C-N 3.26Å; M659-R661 PolarHBondContact O-N 2.88Å
662A84.5Confident87.5Confident16 Ų1661.6 Ų61.613%0.13231%0.311CS..  trans-63.7132.4-179.700000112.4W658 M659 Y668 K722W658-A662 PolarHBondContact O-N 3.06Å; M659-A662 WeakPolarHBondContact O-CB 3.38Å; M659-A662 PolarHBondContact O-N 2.91Å; A662-Y668 HydrophobicContact CB-CD2 4.49Å; A662-Y668 HydrophobicContact CB-CE1 4.23Å; A662-Y668 HydrophobicContact CB-CE2 3.71Å; A662-Y668 WeakPolarHBondContact CB-OH 3.47Å; A662-K722 HydrophobicContact CB-CB 4.42Å; A662-K722 HydrophobicContact CB-CD 4.28Å; A662-K722 HydrophobicContact CB-CG 4.04Å
663K82.8Confident87.4Confident149 Ų14962 Ų6265%0.64831%0.314SS*.  trans-92.3134.6-178.7-65.8179.5-178.2173.40111.4S665 Y668K663-S665 WeakPolarHBondContact CB-OG 3.33Å; K663-S665 PolarHBondContact O-N 3.11Å; K663-Y668 VanDerWaalsContact O-CB 3.26Å; K663-Y668 WeakPolarHBondContact O-CB 3.38Å
664K83.3Confident87.3Confident86 Ų8657.9 Ų57.937%0.37429%0.288SS..SBendtrans-79.163.2170.5-65-169.6175.6-163.70111.2E721 S729K664-E721 IonicContact NZ-OE1 3.03Å; K664-E721 PolarHBondContact NZ-OE1 3.44Å; K664-S729 WeakPolarHBondContact O-CB 3.31Å; K664-S729 PolarHBondContact O-OG 3.29Å
665S83.9Confident87.2Confident29 Ų2956.9 Ų56.920%0.20328%0.28CS..SBendtrans-145.3151.5-177.157.10000112.3K663 D667 Y668K663-S665 WeakPolarHBondContact CB-OG 3.33Å; K663-S665 PolarHBondContact O-N 3.11Å; S665-D667 PolarHBondContact O-N 3.41Å; S665-Y668 VanDerWaalsContact O-CB 3.26Å; S665-Y668 WeakPolarHBondContact O-CB 3.48Å; S665-Y668 PolarHBondContact O-N 3.38Å
666T81.9Confident87.1Confident15 Ų1556.9 Ų56.99%0.09228%0.28CS..THydrogen-bonded Turntrans-61.1-15.817748.50000114.8Y668 V726 V730 Y792T666-Y668 VanDerWaalsContact C-N 3.33Å; T666-V726 HydrophobicContact CG2-CG1 4.31Å; T666-V730 HydrophobicContact CG2-CG2 3.57Å; T666-Y792 HydrophobicContact CG2-CD2 4.47Å
667D80.9Confident87.2Confident143 Ų14354 Ų5477%0.76527%0.265SS*.THydrogen-bonded Turntrans-89.8-0.6178.3-41.9-33000112.3S665S665-D667 PolarHBondContact O-N 3.41Å
668Y84.7Confident87.4Confident26 Ų2651.5 Ų51.510%0.10225%0.247CC..  trans-79.8134.5172.1175.8-111.6000109.1A662 K663 S665 T666 F795A662-Y668 HydrophobicContact CB-CD2 4.49Å; A662-Y668 HydrophobicContact CB-CE1 4.23Å; A662-Y668 HydrophobicContact CB-CE2 3.71Å; A662-Y668 WeakPolarHBondContact CB-OH 3.47Å; K663-Y668 VanDerWaalsContact O-CB 3.26Å; K663-Y668 WeakPolarHBondContact O-CB 3.38Å; S665-Y668 VanDerWaalsContact O-CB 3.26Å; S665-Y668 WeakPolarHBondContact O-CB 3.48Å; S665-Y668 PolarHBondContact O-N 3.38Å; T666-Y668 VanDerWaalsContact C-N 3.33Å; Y668-F795 HydrophobicContact CD1-CE2 4.17Å; Y668-F795 WeakPolarHBondContact O-CD2 3.33Å; Y668-F795 WeakPolarHBondContact O-CE2 3.31Å
669M82.4Confident87.6Confident92 Ų9247.9 Ų47.945%0.45323%0.234SC..  trans-119.5143.2166.2-65.4-9566.100107.5P671 F795M669-P671 WeakPolarHBondContact O-CD 3.49Å; M669-F795 HydrophobicContact CE-CD2 3.94Å; M669-F795 WeakPolarHBondContact CE-O 3.38Å
670L86Confident87.8Confident8 Ų847.8 Ų47.84%0.04223%0.233CC..  trans-62129.7169.8-170.569.9000108.3V674 L802 L803L670-V674 HydrophobicContact CD1-CB 4.27Å; L670-V674 HydrophobicContact CD1-CG1 4.03Å; L670-L802 HydrophobicContact CB-CD2 4.22Å; L670-L802 WeakPolarHBondContact O-CD2 3.47Å; L670-L803 HydrophobicContact CD2-CD1 4.2Å; L670-L803 HydrophobicContact CD2-CD2 3.43Å; L670-L803 VanDerWaalsContact CD2-CD2 3.43Å; L670-L803 HydrophobicContact CD2-CG 3.7Å
671P88.7Confident88.2Confident19 Ų1941.2 Ų41.212%0.12320%0.202CC..  trans-74.2145.9176-13.728.3000111.5W658 M669 E673 V674W658-P671 HydrophobicContact CE3-CB 4.4Å; W658-P671 HydrophobicContact CE3-CG 3.64Å; W658-P671 HydrophobicContact CH2-CB 4.18Å; W658-P671 HydrophobicContact CH2-CG 4.14Å; W658-P671 HydrophobicContact CZ3-CB 3.94Å; W658-P671 HydrophobicContact CZ3-CG 3.39Å; M669-P671 WeakPolarHBondContact O-CD 3.49Å; P671-E673 HydrophobicContact CB-CB 4.45Å; P671-E673 WeakPolarHBondContact CB-OE2 3.29Å; P671-E673 PolarHBondContact O-N 3.46Å; P671-V674 HydrophobicContact CB-CG2 4.24Å; P671-V674 HydrophobicContact CG-CG2 4.03Å; P671-V674 WeakPolarHBondContact O-CB 3.38Å; P671-V674 PolarHBondContact O-N 3.16Å; P671-V674 VanDerWaalsContact O-N 3.15Å
672S89.2Confident88.5Confident57 Ų5735 Ų3540%0.39918%0.179SC..Hα-helixtrans-63.5-29.4175.747.40000112V674 C675 V676S672-V674 PolarHBondContact O-N 3.45Å; S672-C675 WeakPolarHBondContact O-CB 3.48Å; S672-C675 PolarHBondContact O-N 3.05Å; S672-C675 VanDerWaalsContact O-N 3.1Å; S672-V676 PolarHBondContact O-N 3.36Å
673E91.6Very high88.8Confident58 Ų5834.4 Ų34.427%0.27118%0.175SC..Hα-helixtrans-57.1-34.4174.8-6391.6152.800112.4W594 W658 P671 V676 Q677W594-E673 HydrophobicContact CB-CB 3.68Å; W594-E673 HydrophobicContact CB-CG 3.88Å; W594-E673 HydrophobicContact CG-CB 4.4Å; W658-E673 HydrophobicContact CZ2-CB 4.47Å; P671-E673 HydrophobicContact CB-CB 4.45Å; P671-E673 WeakPolarHBondContact CB-OE2 3.29Å; P671-E673 PolarHBondContact O-N 3.46Å; E673-V676 PolarHBondContact O-N 3.08Å; E673-Q677 VanDerWaalsContact O-CG 3.3Å; E673-Q677 WeakPolarHBondContact O-CG 3.46Å; E673-Q677 PolarHBondContact O-N 3.15Å
674V91.3Very high89.3Confident1 Ų127.3 Ų27.31%0.00614%0.144CC..Hα-helixtrans-71-39.1176.9176.30000110.7F655 W658 M659 L670 P671 S672 V676 Q677 I678F655-V674 HydrophobicContact CD2-CG1 3.81Å; F655-V674 HydrophobicContact CE2-CG1 3.65Å; W658-V674 HydrophobicContact CB-CG2 4.12Å; W658-V674 HydrophobicContact CG-CG2 4.33Å; M659-V674 HydrophobicContact SD-CG1 4.5Å; L670-V674 HydrophobicContact CD1-CB 4.27Å; L670-V674 HydrophobicContact CD1-CG1 4.03Å; P671-V674 HydrophobicContact CB-CG2 4.24Å; P671-V674 HydrophobicContact CG-CG2 4.03Å; P671-V674 WeakPolarHBondContact O-CB 3.38Å; P671-V674 PolarHBondContact O-N 3.16Å; P671-V674 VanDerWaalsContact O-N 3.15Å; S672-V674 PolarHBondContact O-N 3.45Å; V674-V676 VanDerWaalsContact C-N 3.34Å; V674-Q677 WeakPolarHBondContact O-CB 3.32Å; V674-Q677 PolarHBondContact O-N 2.75Å; V674-I678 HydrophobicContact CG1-CD1 4.4Å; V674-I678 WeakPolarHBondContact O-CD1 3.27Å; V674-I678 WeakPolarHBondContact O-CG1 3.4Å; V674-I678 PolarHBondContact O-N 2.83Å
675C91.3Very high89.6Confident0 Ų025.4 Ų25.40%014%0.136CC..Hα-helixtrans-64.7-37.5172.8-58.80000111.9S672 I678 N679 V806 I807S672-C675 WeakPolarHBondContact O-CB 3.48Å; S672-C675 PolarHBondContact O-N 3.05Å; S672-C675 VanDerWaalsContact O-N 3.1Å; C675-I678 PolarHBondContact O-N 2.91Å; C675-N679 PolarHBondContact O-N 3.28Å; C675-V806 HydrophobicContact CB-CB 3.68Å; C675-V806 HydrophobicContact CB-CG1 3.42Å; C675-V806 VanDerWaalsContact CB-CG1 3.42Å; C675-I807 HydrophobicContact CB-CD1 4.32Å; C675-I807 HydrophobicContact CB-CG1 3.77Å
676V92.8Very high89.8Confident2 Ų226.3 Ų26.31%0.01214%0.142CC..Hα-helixtrans-66.8-37.7175.4176.20000111.6W594 C601 S672 E673 V674 I678 N679 V680 V806W594-V676 HydrophobicContact CE3-CG1 4.43Å; W594-V676 WeakPolarHBondContact O-CG2 3.43Å; C601-V676 HydrophobicContact CB-CG1 3.96Å; S672-V676 PolarHBondContact O-N 3.36Å; E673-V676 PolarHBondContact O-N 3.08Å; V674-V676 VanDerWaalsContact C-N 3.34Å; V676-I678 VanDerWaalsContact C-N 3.33Å; V676-I678 PolarHBondContact O-N 3.49Å; V676-N679 PolarHBondContact O-N 3.34Å; V676-V680 WeakPolarHBondContact O-CG2 3.36Å; V676-V680 PolarHBondContact O-N 3.31Å; V676-V806 HydrophobicContact CG2-CG1 4.28Å
677Q94.4Very high89.9Confident0 Ų027.2 Ų27.20%014%0.143CC..Hα-helixtrans-59.8-42172.8-71.9156.95.500111.8W594 T651 F655 E673 V674 V680 M681 M715W594-Q677 HydrophobicContact CD2-CG 3.64Å; W594-Q677 HydrophobicContact CE3-CB 4.34Å; W594-Q677 HydrophobicContact CE3-CG 3.32Å; W594-Q677 HydrophobicContact CG-CG 4.39Å; W594-Q677 HydrophobicContact CH2-CG 3.87Å; W594-Q677 HydrophobicContact CZ2-CG 4.16Å; W594-Q677 HydrophobicContact CZ3-CB 4.27Å; W594-Q677 HydrophobicContact CZ3-CG 3.45Å; W594-Q677 VanDerWaalsContact CZ3-CG 3.45Å; T651-Q677 HydrophobicContact CG2-CB 3.87Å; T651-Q677 HydrophobicContact CG2-CG 4.25Å; T651-Q677 VanDerWaalsContact CG2-O 3.24Å; T651-Q677 WeakPolarHBondContact CG2-O 3.29Å; F655-Q677 VanDerWaalsContact CA-OE1 3.23Å; E673-Q677 VanDerWaalsContact O-CG 3.3Å; E673-Q677 WeakPolarHBondContact O-CG 3.46Å; E673-Q677 PolarHBondContact O-N 3.15Å; V674-Q677 WeakPolarHBondContact O-CB 3.32Å; V674-Q677 PolarHBondContact O-N 2.75Å; Q677-V680 PolarHBondContact O-N 2.88Å; Q677-M681 WeakPolarHBondContact O-CG 3.44Å; Q677-M681 PolarHBondContact O-N 2.9Å; Q677-M715 HydrophobicContact CB-CE 4.4Å
678I93.9Very high90Very high0 Ų020.6 Ų20.60%011%0.109CC..Hα-helixtrans-64.1-42176-63.4159.3000111V674 C675 V676 V680 M681 F682 L712 M715 I719 I807 W812V674-I678 HydrophobicContact CG1-CD1 4.4Å; V674-I678 WeakPolarHBondContact O-CD1 3.27Å; V674-I678 WeakPolarHBondContact O-CG1 3.4Å; V674-I678 PolarHBondContact O-N 2.83Å; C675-I678 PolarHBondContact O-N 2.91Å; V676-I678 VanDerWaalsContact C-N 3.33Å; V676-I678 PolarHBondContact O-N 3.49Å; I678-V680 PolarHBondContact O-N 3.48Å; I678-M681 WeakPolarHBondContact O-CB 3.42Å; I678-M681 PolarHBondContact O-N 3.47Å; I678-M681 VanDerWaalsContact O-N 3.13Å; I678-F682 HydrophobicContact CG2-CD2 3.78Å; I678-F682 HydrophobicContact CG2-CE2 3.43Å; I678-F682 VanDerWaalsContact CG2-CE2 3.43Å; I678-F682 VanDerWaalsContact O-CD2 3.3Å; I678-F682 WeakPolarHBondContact O-CD2 3.48Å; I678-F682 PolarHBondContact O-N 3.01Å; I678-L712 HydrophobicContact CG2-CD2 4.47Å; I678-M715 HydrophobicContact CB-CE 4.47Å; I678-M715 HydrophobicContact CG1-CE 3.69Å; I678-I719 HydrophobicContact CD1-CD1 3.51Å; I678-I807 HydrophobicContact CB-CD1 4.44Å; I678-I807 HydrophobicContact CD1-CD1 3.71Å; I678-I807 HydrophobicContact CG2-CD1 4.21Å; I678-I807 HydrophobicContact CG2-CG2 4.2Å; I678-W812 HydrophobicContact CD1-CH2 3.88Å; I678-W812 HydrophobicContact CD1-CZ3 4.32Å; I678-W812 HydrophobicContact CG2-CH2 4.22Å; I678-W812 HydrophobicContact CG2-CZ3 4.25Å
679N93.9Very high89.7Confident3 Ų322.3 Ų22.32%0.01612%0.122CC..Hα-helixtrans-61.7-40.6175.1-72.3-17.2000112.8E599 C675 V676 M681 F682 S683 V806 I807 I808E599-N679 CarbonylContact O-C 3.59Å; C675-N679 PolarHBondContact O-N 3.28Å; V676-N679 PolarHBondContact O-N 3.34Å; N679-M681 VanDerWaalsContact C-N 3.26Å; N679-M681 PolarHBondContact O-N 3.13Å; N679-F682 PolarHBondContact O-N 3.48Å; N679-F682 VanDerWaalsContact O-N 3.14Å; N679-S683 PolarHBondContact O-N 3.38Å; N679-V806 PolarHBondContact ND2-O 2.94Å; N679-I807 WeakPolarHBondContact OD1-CA 3.34Å; N679-I808 HydrophobicContact CB-CD1 3.88Å; N679-I808 HydrophobicContact CB-CG1 4.49Å; N679-I808 PolarHBondContact OD1-N 2.93Å
680V94.4Very high89.2Confident0 Ų025.2 Ų25.20%013%0.128CC..Hα-helixtrans-58.8-39.3173.9172.60000111.1W594 C601 V647 T651 V676 Q677 I678 S683 S684W594-V680 HydrophobicContact CZ3-CG2 4.29Å; C601-V680 HydrophobicContact CB-CG2 4.22Å; V647-V680 HydrophobicContact CG1-CG1 3.91Å; T651-V680 HydrophobicContact CG2-CB 4.1Å; T651-V680 HydrophobicContact CG2-CG1 4.11Å; T651-V680 WeakPolarHBondContact OG1-CG1 3.49Å; V676-V680 WeakPolarHBondContact O-CG2 3.36Å; V676-V680 PolarHBondContact O-N 3.31Å; Q677-V680 PolarHBondContact O-N 2.88Å; I678-V680 PolarHBondContact O-N 3.48Å; V680-S683 PolarHBondContact O-N 3.26Å; V680-S684 PolarHBondContact O-N 3.18Å; V680-S684 PolarHBondContact O-OG 3.26Å; V680-S684 VanDerWaalsContact O-OG 3.07Å
681M94.1Very high88.3Confident0 Ų026.2 Ų26.20%013%0.134CC..Hα-helixtrans-67.5-37175.1-66.7-63.5-58.300113.2T651 Q677 I678 N679 S684 K685 L708 M711 L712 M715T651-M681 HydrophobicContact CG2-CG 3.96Å; T651-M681 HydrophobicContact CG2-SD 4.15Å; Q677-M681 WeakPolarHBondContact O-CG 3.44Å; Q677-M681 PolarHBondContact O-N 2.9Å; I678-M681 WeakPolarHBondContact O-CB 3.42Å; I678-M681 PolarHBondContact O-N 3.47Å; I678-M681 VanDerWaalsContact O-N 3.13Å; N679-M681 VanDerWaalsContact C-N 3.26Å; N679-M681 PolarHBondContact O-N 3.13Å; M681-S684 WeakPolarHBondContact O-CB 3.21Å; M681-S684 PolarHBondContact O-N 3.34Å; M681-K685 PolarHBondContact O-N 3.42Å; M681-L708 HydrophobicContact CE-CD2 3.81Å; M681-M711 HydrophobicContact CE-CB 3.6Å; M681-M711 HydrophobicContact CE-CG 4.29Å; M681-M711 HydrophobicContact CE-SD 3.69Å; M681-L712 HydrophobicContact CB-CD2 3.64Å; M681-L712 HydrophobicContact CB-CG 4.16Å; M681-M715 HydrophobicContact CB-SD 4.44Å; M681-M715 HydrophobicContact CG-CE 4.1Å; M681-M715 HydrophobicContact CG-SD 3.75Å
682F92.4Very high86.9Confident30 Ų3027.8 Ų27.813%0.13214%0.143CC..Hα-helixtrans-66.7-40.4171.5-77.2-62.1000112.6I678 N679 K685 S686 L712 I807 D809 W812I678-F682 HydrophobicContact CG2-CD2 3.78Å; I678-F682 HydrophobicContact CG2-CE2 3.43Å; I678-F682 VanDerWaalsContact CG2-CE2 3.43Å; I678-F682 VanDerWaalsContact O-CD2 3.3Å; I678-F682 WeakPolarHBondContact O-CD2 3.48Å; I678-F682 PolarHBondContact O-N 3.01Å; N679-F682 PolarHBondContact O-N 3.48Å; N679-F682 VanDerWaalsContact O-N 3.14Å; F682-K685 PolarHBondContact O-N 2.92Å; F682-S686 WeakPolarHBondContact O-CB 3.39Å; F682-S686 PolarHBondContact O-N 3.44Å; F682-L712 HydrophobicContact CD1-CD1 4.02Å; F682-L712 HydrophobicContact CD1-CD2 4.39Å; F682-L712 HydrophobicContact CD2-CD2 4.32Å; F682-L712 HydrophobicContact CE1-CD1 3.83Å; F682-L712 HydrophobicContact CE1-CD2 4.09Å; F682-L712 HydrophobicContact CE2-CD2 4.03Å; F682-L712 HydrophobicContact CG-CD2 4.48Å; F682-L712 HydrophobicContact CZ-CD1 4.41Å; F682-L712 HydrophobicContact CZ-CD2 3.88Å; F682-I807 HydrophobicContact CE2-CG2 4.16Å; F682-D809 HydrophobicContact CD1-CB 3.98Å; F682-D809 HydrophobicContact CD2-CB 3.99Å; F682-D809 HydrophobicContact CE1-CB 3.71Å; F682-D809 HydrophobicContact CE2-CB 3.7Å; F682-D809 HydrophobicContact CG-CB 4.14Å; F682-D809 HydrophobicContact CZ-CB 3.58Å; F682-W812 HydrophobicContact CE1-CB 4.4Å; F682-W812 HydrophobicContact CE2-CB 4.37Å; F682-W812 HydrophobicContact CE2-CD2 4.24Å; F682-W812 HydrophobicContact CE2-CE3 4.49Å; F682-W812 HydrophobicContact CE2-CG 4.22Å; F682-W812 HydrophobicContact CZ-CB 3.61Å; F682-W812 AromaticContact CZ-CD1 3.87Å; F682-W812 AromaticContact CZ-CD2 3.98Å; F682-W812 HydrophobicContact CZ-CD2 3.98Å; F682-W812 AromaticContact CZ-CG 3.52Å; F682-W812 HydrophobicContact CZ-CG 3.52Å
683S91.4Very high85.2Confident4 Ų430.2 Ų30.23%0.02816%0.156CC..Hα-helixtrans-63.7-41.2173.6-164.20000111.2N679 V680 K685 S686 R687N679-S683 PolarHBondContact O-N 3.38Å; V680-S683 PolarHBondContact O-N 3.26Å; S683-K685 PolarHBondContact O-N 2.88Å; S683-S686 PolarHBondContact O-N 3.2Å; S683-R687 WeakPolarHBondContact O-CB 3.32Å; S683-R687 VanDerWaalsContact O-CG 3.28Å; S683-R687 WeakPolarHBondContact O-CG 3.26Å; S683-R687 PolarHBondContact O-N 2.83Å
684S92.1Very high83.3Confident0 Ų033.6 Ų33.60%018%0.176CC..Hα-helixtrans-54.2-49.2170.3-65.10000111.5Y608 S648 V680 M681 R687 A688Y608-S684 WeakPolarHBondContact OH-CA 3.39Å; Y608-S684 PolarHBondContact OH-N 3.12Å; Y608-S684 PolarHBondContact OH-OG 2.86Å; S648-S684 WeakPolarHBondContact OG-CB 3.39Å; S648-S684 PolarHBondContact OG-OG 2.97Å; V680-S684 PolarHBondContact O-N 3.18Å; V680-S684 PolarHBondContact O-OG 3.26Å; V680-S684 VanDerWaalsContact O-OG 3.07Å; M681-S684 WeakPolarHBondContact O-CB 3.21Å; M681-S684 PolarHBondContact O-N 3.34Å; S684-R687 PolarHBondContact O-N 3.02Å; S684-A688 WeakPolarHBondContact O-CB 3.14Å; S684-A688 PolarHBondContact O-N 3.42Å
685K89.6Confident81.1Confident47 Ų4735.1 Ų35.120%0.20419%0.187CC..Hα-helixtrans-65.4-48.2-178.5-167.9176.5-172.9-178.10112M681 F682 S683 R687 A688 V689 D705 L708 E709 L712M681-K685 PolarHBondContact O-N 3.42Å; F682-K685 PolarHBondContact O-N 2.92Å; S683-K685 PolarHBondContact O-N 2.88Å; K685-R687 VanDerWaalsContact C-N 3.28Å; K685-R687 PolarHBondContact O-N 3.05Å; K685-A688 PolarHBondContact O-N 3.02Å; K685-V689 WeakPolarHBondContact O-CG2 3.34Å; K685-V689 PolarHBondContact O-N 3.32Å; K685-D705 WeakPolarHBondContact CE-OD1 3.46Å; K685-D705 WeakPolarHBondContact CG-OD1 3.28Å; K685-L708 HydrophobicContact CB-CD1 4.33Å; K685-E709 IonicContact NZ-OE2 2.66Å; K685-E709 PolarHBondContact NZ-OE2 3.42Å; K685-L712 HydrophobicContact CD-CD1 4.11Å
686S88Confident79Confident48 Ų4839.4 Ų39.434%0.33623%0.23SC..Hα-helixtrans-54.6-43.4176-1800000112F682 S683 R690F682-S686 WeakPolarHBondContact O-CB 3.39Å; F682-S686 PolarHBondContact O-N 3.44Å; S683-S686 PolarHBondContact O-N 3.2Å; S686-R690 WeakPolarHBondContact O-CG 3.21Å; S686-R690 PolarHBondContact O-N 3.1Å
687R84.6Confident76.8Confident33 Ų3346.3 Ų46.313%0.12526%0.263CS..Hα-helixtrans-71.9-41.8177.6-70.1170177.8-85.75.3112.7D612 I644 S683 S684 K685 V689 R690 V691D612-R687 IonicContact OD1-NH1 3.16Å; D612-R687 PolarHBondContact OD1-NH1 3.14Å; D612-R687 IonicContact OD2-CZ 2.83Å; D612-R687 IonicContact OD2-NH1 2.72Å; D612-R687 PolarHBondContact OD2-NH1 3.35Å; D612-R687 IonicContact OD2-NH2 3.08Å; I644-R687 HydrophobicContact CD1-CB 3.93Å; S683-R687 WeakPolarHBondContact O-CB 3.32Å; S683-R687 VanDerWaalsContact O-CG 3.28Å; S683-R687 WeakPolarHBondContact O-CG 3.26Å; S683-R687 PolarHBondContact O-N 2.83Å; S684-R687 PolarHBondContact O-N 3.02Å; K685-R687 VanDerWaalsContact C-N 3.28Å; K685-R687 PolarHBondContact O-N 3.05Å; R687-V689 VanDerWaalsContact C-N 3.29Å; R687-V689 PolarHBondContact O-N 2.83Å; R687-R690 PolarHBondContact O-N 2.68Å; R687-V691 WeakPolarHBondContact O-CG2 3.35Å; R687-V691 PolarHBondContact O-N 2.95Å
688A83.7Confident74.2Confident5 Ų555.8 Ų55.84%0.04130%0.3CS..Hα-helixtrans-56.9-43.817500000111.4S684 K685 V691 T692 L704 L708S684-A688 WeakPolarHBondContact O-CB 3.14Å; S684-A688 PolarHBondContact O-N 3.42Å; K685-A688 PolarHBondContact O-N 3.02Å; A688-V691 PolarHBondContact O-N 3.06Å; A688-T692 WeakPolarHBondContact O-CG2 3.32Å; A688-L704 HydrophobicContact CB-CD2 3.91Å; A688-L704 HydrophobicContact CB-CG 4.28Å; A688-L708 HydrophobicContact CB-CD1 3.82Å
689V78Confident71.9Confident62 Ų6265.5 Ų65.538%0.37634%0.342SS..Hα-helixtrans-62-43.5176.1173.20000111.8K685 R687 V691 T692 V693K685-V689 WeakPolarHBondContact O-CG2 3.34Å; K685-V689 PolarHBondContact O-N 3.32Å; R687-V689 VanDerWaalsContact C-N 3.29Å; R687-V689 PolarHBondContact O-N 2.83Å; V689-V691 VanDerWaalsContact C-N 3.29Å; V689-V691 PolarHBondContact O-N 2.8Å; V689-T692 WeakPolarHBondContact O-CB 3.29Å; V689-T692 PolarHBondContact O-N 3.39Å; V689-T692 PolarHBondContact O-OG1 2.87Å; V689-V693 PolarHBondContact O-N 3.31Å
690R72.4Confident69.5Low152 Ų15275.6 Ų75.657%0.57438%0.381SS*.Hα-helixtrans-57.1-41.3178.1-71177.5-168.2-176.64.6112.6S686 R687 T692 V693S686-R690 WeakPolarHBondContact O-CG 3.21Å; S686-R690 PolarHBondContact O-N 3.1Å; R687-R690 PolarHBondContact O-N 2.68Å; R690-T692 PolarHBondContact O-N 2.81Å; R690-V693 PolarHBondContact O-N 2.77Å
691V66.2Low67.6Low29 Ų2977 Ų7718%0.17639%0.388CS..Hα-helixtrans-62.3-23.5177.1-179.40000112.5K637 T640 R687 A688 V689K637-V691 HydrophobicContact CB-CG1 4.46Å; K637-V691 HydrophobicContact CG-CG1 4.11Å; T640-V691 HydrophobicContact CG2-CG2 3.67Å; R687-V691 WeakPolarHBondContact O-CG2 3.35Å; R687-V691 PolarHBondContact O-N 2.95Å; A688-V691 PolarHBondContact O-N 3.06Å; V689-V691 VanDerWaalsContact C-N 3.29Å; V689-V691 PolarHBondContact O-N 2.8Å
692T59Low66.1Low52 Ų5280.1 Ų80.132%0.31941%0.41SS..Hα-helixtrans-79.8-36.9178.172.70000113.9A688 V689 R690 D694 S695 Q701A688-T692 WeakPolarHBondContact O-CG2 3.32Å; V689-T692 WeakPolarHBondContact O-CB 3.29Å; V689-T692 PolarHBondContact O-N 3.39Å; V689-T692 PolarHBondContact O-OG1 2.87Å; R690-T692 PolarHBondContact O-N 2.81Å; T692-D694 VanDerWaalsContact C-N 3.35Å; T692-D694 PolarHBondContact O-N 2.71Å; T692-S695 PolarHBondContact O-N 2.98Å; T692-S695 PolarHBondContact O-OG 3.31Å; T692-Q701 HydrophobicContact CG2-CB 3.58Å; T692-Q701 HydrophobicContact CG2-CG 3.94Å
693V53.5Low65.3Low108 Ų10886 Ų8666%0.65544%0.435SS*.Hα-helixtrans-69.6-30.4-167.2177.20000112.6V689 R690 S695V689-V693 PolarHBondContact O-N 3.31Å; R690-V693 PolarHBondContact O-N 2.77Å; V693-S695 PolarHBondContact O-N 2.66Å
694D51.4Low65Low130 Ų13086.6 Ų86.670%0.69544%0.438SS*.THydrogen-bonded Turntrans-7720.8176.2-71.2-22000113.8K637 T692K637-D694 PolarHBondContact NZ-O 3.47Å; T692-D694 VanDerWaalsContact C-N 3.35Å; T692-D694 PolarHBondContact O-N 2.71Å
695S45.3Very low64.7Low33 Ų3389 Ų8923%0.23145%0.451CS..  trans-133.1103.7177.7-11.90000111.1K637 T692 V693 E697K637-S695 PolarHBondContact NZ-OG 3.48Å; T692-S695 PolarHBondContact O-N 2.98Å; T692-S695 PolarHBondContact O-OG 3.31Å; V693-S695 PolarHBondContact O-N 2.66Å; S695-E697 PolarHBondContact O-N 3.02Å
696G47.8Very low64.5Low89 Ų8992 Ų9292%0.91847%0.465SS*.SBendtrans-64.3-13.6167.900000113.9
697E46Very low64.6Low148 Ų14892.1 Ų92.169%0.69246%0.464SS*.SBendtrans-140148.4-177.8-60.2-169.3144.500113.3S695S695-E697 PolarHBondContact O-N 3.02Å
698Y41.3Very low64.9Low199 Ų19990.6 Ų90.678%0.7846%0.459SS*.  trans83.4120.7172.2-60.8-80.6000120.2Y700Y698-Y700 VanDerWaalsContact C-N 3.28Å; Y698-Y700 PolarHBondContact O-N 2.83Å; Y698-Y700 VanDerWaalsContact O-N 3.07Å
699K44.3Very low65.3Low203 Ų20393.6 Ų93.688%0.88347%0.472SS*.  trans-76.721.2-171-62.9179.9171.9-178.90116.1Q701K699-Q701 VanDerWaalsContact C-N 3.3Å; K699-Q701 PolarHBondContact O-N 3.42Å
700Y44.8Very low66Low215 Ų21594.9 Ų94.984%0.84348%0.48SS*.THydrogen-bonded Turntrans-72.1-20.8-166.8-129.9-89.5000114.3Y698Y698-Y700 VanDerWaalsContact C-N 3.28Å; Y698-Y700 PolarHBondContact O-N 2.83Å; Y698-Y700 VanDerWaalsContact O-N 3.07Å
701Q53.3Low67Low29 Ų2988.8 Ų88.814%0.13646%0.458CS..THydrogen-bonded Turntrans-95.4-9-170.4-112.795.210.300117.3T692 K699 K703 L704T692-Q701 HydrophobicContact CG2-CB 3.58Å; T692-Q701 HydrophobicContact CG2-CG 3.94Å; K699-Q701 VanDerWaalsContact C-N 3.3Å; K699-Q701 PolarHBondContact O-N 3.42Å; Q701-K703 PolarHBondContact O-N 3.12Å; Q701-L704 PolarHBondContact O-N 3.02Å
702S62Low68.4Low66 Ų6687.8 Ų87.846%0.46245%0.452SS..Hα-helixtrans-60.3-34.6-175.582.50000112.3L704 D705 E706S702-L704 VanDerWaalsContact C-N 3.32Å; S702-L704 PolarHBondContact O-N 2.98Å; S702-D705 PolarHBondContact O-N 3Å; S702-E706 WeakPolarHBondContact CB-OE1 3.37Å; S702-E706 WeakPolarHBondContact O-CB 3.41Å; S702-E706 VanDerWaalsContact O-CG 3.23Å; S702-E706 WeakPolarHBondContact O-CG 3.35Å; S702-E706 PolarHBondContact O-N 3.18Å; S702-E706 PolarHBondContact OG-OE1 2.97Å
703K76.1Confident70Confident154 Ų15490.4 Ų90.467%0.6746%0.459SS*.Hα-helixtrans-60.6-35.1-178.8-168.5-177.8178-168.60113.7Q701 T707Q701-K703 PolarHBondContact O-N 3.12Å; K703-T707 WeakPolarHBondContact O-CB 3.44Å; K703-T707 PolarHBondContact O-N 2.82Å; K703-T707 PolarHBondContact O-OG1 3.47Å
704L85.1Confident71.9Confident16 Ų1688 Ų888%0.08444%0.444CS..Hα-helixtrans-70.5-48.3177.6178.361.4000110.3I644 A688 Q701 S702 E706 T707 L708I644-L704 HydrophobicContact CB-CD2 4.28Å; I644-L704 HydrophobicContact CG2-CD2 4.08Å; A688-L704 HydrophobicContact CB-CD2 3.91Å; A688-L704 HydrophobicContact CB-CG 4.28Å; Q701-L704 PolarHBondContact O-N 3.02Å; S702-L704 VanDerWaalsContact C-N 3.32Å; S702-L704 PolarHBondContact O-N 2.98Å; L704-E706 PolarHBondContact O-N 3.07Å; L704-T707 WeakPolarHBondContact O-CB 3.32Å; L704-T707 PolarHBondContact O-N 3.47Å; L704-T707 VanDerWaalsContact O-N 3.08Å; L704-L708 HydrophobicContact CD1-CD1 4.24Å; L704-L708 HydrophobicContact CD1-CD2 4.47Å; L704-L708 HydrophobicContact CD1-CG 4.13Å; L704-L708 HydrophobicContact CG-CD1 4.08Å; L704-L708 HydrophobicContact CG-CG 4.37Å; L704-L708 WeakPolarHBondContact O-CG 2.88Å; L704-L708 PolarHBondContact O-N 3.47Å
705D85.4Confident74Confident50 Ų5081.8 Ų81.827%0.26741%0.411SS..Hα-helixtrans-61.6-43.6178.4-171.650.5000112K685 S702 T707 L708 E709K685-D705 WeakPolarHBondContact CE-OD1 3.46Å; K685-D705 WeakPolarHBondContact CG-OD1 3.28Å; S702-D705 PolarHBondContact O-N 3Å; D705-T707 VanDerWaalsContact C-N 3.29Å; D705-T707 PolarHBondContact O-N 3.46Å; D705-L708 PolarHBondContact O-N 3.24Å; D705-E709 WeakPolarHBondContact O-CB 3.19Å; D705-E709 PolarHBondContact O-N 3.41Å
706E86.3Confident76.3Confident110 Ų11081.4 Ų81.451%0.51441%0.406SS..Hα-helixtrans-56.8-40.3171.1-73165.5-13800112.3S702 L704 T710S702-E706 WeakPolarHBondContact CB-OE1 3.37Å; S702-E706 WeakPolarHBondContact O-CB 3.41Å; S702-E706 VanDerWaalsContact O-CG 3.23Å; S702-E706 WeakPolarHBondContact O-CG 3.35Å; S702-E706 PolarHBondContact O-N 3.18Å; S702-E706 PolarHBondContact OG-OE1 2.97Å; L704-E706 PolarHBondContact O-N 3.07Å; E706-T710 WeakPolarHBondContact O-CB 3.33Å; E706-T710 PolarHBondContact O-N 2.88Å; E706-T710 PolarHBondContact O-OG1 3.5Å
707T89.4Confident78.4Confident51 Ų5180.2 Ų80.231%0.31338%0.384SS..Hα-helixtrans-69.2-46.2178.2-59.40000111.2K703 L704 D705 E709 T710 M711K703-T707 WeakPolarHBondContact O-CB 3.44Å; K703-T707 PolarHBondContact O-N 2.82Å; K703-T707 PolarHBondContact O-OG1 3.47Å; L704-T707 WeakPolarHBondContact O-CB 3.32Å; L704-T707 PolarHBondContact O-N 3.47Å; L704-T707 VanDerWaalsContact O-N 3.08Å; D705-T707 VanDerWaalsContact C-N 3.29Å; D705-T707 PolarHBondContact O-N 3.46Å; T707-E709 PolarHBondContact O-N 3Å; T707-T710 PolarHBondContact O-N 3.35Å; T707-M711 HydrophobicContact CG2-CE 3.79Å; T707-M711 HydrophobicContact CG2-SD 4.31Å; T707-M711 WeakPolarHBondContact O-CG 3.3Å; T707-M711 PolarHBondContact O-N 2.82Å
708L92.1Very high80.6Confident1 Ų174.6 Ų74.61%0.00536%0.36CS..Hα-helixtrans-63.7-41178.2-65176.2000111.9I644 S648 M681 K685 A688 L704 D705 M711 L712I644-L708 HydrophobicContact CG2-CD1 4.22Å; S648-L708 VanDerWaalsContact CB-CD2 3.45Å; S648-L708 WeakPolarHBondContact OG-CD2 3.26Å; M681-L708 HydrophobicContact CE-CD2 3.81Å; K685-L708 HydrophobicContact CB-CD1 4.33Å; A688-L708 HydrophobicContact CB-CD1 3.82Å; L704-L708 HydrophobicContact CD1-CD1 4.24Å; L704-L708 HydrophobicContact CD1-CD2 4.47Å; L704-L708 HydrophobicContact CD1-CG 4.13Å; L704-L708 HydrophobicContact CG-CD1 4.08Å; L704-L708 HydrophobicContact CG-CG 4.37Å; L704-L708 WeakPolarHBondContact O-CG 2.88Å; L704-L708 PolarHBondContact O-N 3.47Å; D705-L708 PolarHBondContact O-N 3.24Å; L708-M711 PolarHBondContact O-N 3.32Å; L708-L712 WeakPolarHBondContact O-CB 3.41Å; L708-L712 WeakPolarHBondContact O-CG 3.31Å; L708-L712 PolarHBondContact O-N 3.39Å
709E91.4Very high83Confident69 Ų6965.1 Ų65.132%0.32232%0.323SS..Hα-helixtrans-66.5-37.2174.5-174.6165.6135.400112.2K685 D705 T707 L712 K713K685-E709 IonicContact NZ-OE2 2.66Å; K685-E709 PolarHBondContact NZ-OE2 3.42Å; D705-E709 WeakPolarHBondContact O-CB 3.19Å; D705-E709 PolarHBondContact O-N 3.41Å; T707-E709 PolarHBondContact O-N 3Å; E709-L712 PolarHBondContact O-N 3.4Å; E709-K713 HydrophobicContact CG-CD 4.25Å; E709-K713 WeakPolarHBondContact O-CB 3.29Å; E709-K713 WeakPolarHBondContact O-CG 3.33Å; E709-K713 PolarHBondContact O-N 3.34Å; E709-K713 VanDerWaalsContact OE1-CE 3.32Å; E709-K713 WeakPolarHBondContact OE1-CE 3.47Å; E709-K713 IonicContact OE1-NZ 2.75Å; E709-K713 PolarHBondContact OE1-NZ 3.18Å
710T92.9Very high85.2Confident88 Ų8856.9 Ų56.954%0.5429%0.288SS..Hα-helixtrans-65.7-41.5174.5-59.10000111.3E706 T707 T714E706-T710 WeakPolarHBondContact O-CB 3.33Å; E706-T710 PolarHBondContact O-N 2.88Å; E706-T710 PolarHBondContact O-OG1 3.5Å; T707-T710 PolarHBondContact O-N 3.35Å; T710-T714 WeakPolarHBondContact O-CB 3.35Å; T710-T714 PolarHBondContact O-N 3.43Å; T710-T714 PolarHBondContact O-OG1 3.4Å
711M94.5Very high87.4Confident25 Ų2551 Ų5112%0.12327%0.268CS..Hα-helixtrans-62.1-48.6173.9-73173.2176.200111.3D649 F652 M681 T707 L708 K713 T714 M715D649-M711 VanDerWaalsContact OD1-CE 3.26Å; D649-M711 WeakPolarHBondContact OD1-CE 3.42Å; F652-M711 HydrophobicContact CB-SD 4.46Å; F652-M711 HydrophobicContact CD2-CB 3.91Å; F652-M711 HydrophobicContact CD2-CG 4.02Å; F652-M711 HydrophobicContact CE2-CB 4.21Å; F652-M711 HydrophobicContact CE2-CG 4.38Å; F652-M711 HydrophobicContact CG-CG 4.38Å; M681-M711 HydrophobicContact CE-CB 3.6Å; M681-M711 HydrophobicContact CE-CG 4.29Å; M681-M711 HydrophobicContact CE-SD 3.69Å; T707-M711 HydrophobicContact CG2-CE 3.79Å; T707-M711 HydrophobicContact CG2-SD 4.31Å; T707-M711 WeakPolarHBondContact O-CG 3.3Å; T707-M711 PolarHBondContact O-N 2.82Å; L708-M711 PolarHBondContact O-N 3.32Å; M711-K713 PolarHBondContact O-N 2.82Å; M711-T714 CarbonylContact O-C 3.47Å; M711-T714 WeakPolarHBondContact O-CA 3.32Å; M711-T714 WeakPolarHBondContact O-CB 3.43Å; M711-T714 PolarHBondContact O-N 3.24Å; M711-T714 VanDerWaalsContact O-N 3.09Å; M711-M715 VanDerWaalsContact O-CG 3.31Å; M711-M715 WeakPolarHBondContact O-CG 3.28Å; M711-M715 PolarHBondContact O-N 2.82Å
712L94.2Very high89.2Confident7 Ų751.7 Ų51.74%0.03727%0.271CS..Hα-helixtrans-58.8-45178-78.3166.1000112.8I678 M681 F682 K685 L708 E709 T714 M715 E716I678-L712 HydrophobicContact CG2-CD2 4.47Å; M681-L712 HydrophobicContact CB-CD2 3.64Å; M681-L712 HydrophobicContact CB-CG 4.16Å; F682-L712 HydrophobicContact CD1-CD1 4.02Å; F682-L712 HydrophobicContact CD1-CD2 4.39Å; F682-L712 HydrophobicContact CD2-CD2 4.32Å; F682-L712 HydrophobicContact CE1-CD1 3.83Å; F682-L712 HydrophobicContact CE1-CD2 4.09Å; F682-L712 HydrophobicContact CE2-CD2 4.03Å; F682-L712 HydrophobicContact CG-CD2 4.48Å; F682-L712 HydrophobicContact CZ-CD1 4.41Å; F682-L712 HydrophobicContact CZ-CD2 3.88Å; K685-L712 HydrophobicContact CD-CD1 4.11Å; L708-L712 WeakPolarHBondContact O-CB 3.41Å; L708-L712 WeakPolarHBondContact O-CG 3.31Å; L708-L712 PolarHBondContact O-N 3.39Å; E709-L712 PolarHBondContact O-N 3.4Å; L712-T714 VanDerWaalsContact C-N 3.29Å; L712-T714 PolarHBondContact O-N 3.12Å; L712-M715 PolarHBondContact O-N 3.11Å; L712-E716 PolarHBondContact O-N 3.22Å
713K92.9Very high90.5Very high108 Ų10848.6 Ų48.647%0.4725%0.249SC..Hα-helixtrans-63.8-33.6174.5-73172.7-175.3167.30112.7E709 M711 S717E709-K713 HydrophobicContact CG-CD 4.25Å; E709-K713 WeakPolarHBondContact O-CB 3.29Å; E709-K713 WeakPolarHBondContact O-CG 3.33Å; E709-K713 PolarHBondContact O-N 3.34Å; E709-K713 VanDerWaalsContact OE1-CE 3.32Å; E709-K713 WeakPolarHBondContact OE1-CE 3.47Å; E709-K713 IonicContact OE1-NZ 2.75Å; E709-K713 PolarHBondContact OE1-NZ 3.18Å; M711-K713 PolarHBondContact O-N 2.82Å; K713-S717 WeakPolarHBondContact O-CB 3.43Å; K713-S717 PolarHBondContact O-N 3.43Å; K713-S717 PolarHBondContact O-OG 2.74Å
714T94.2Very high91.2Very high56 Ų5642.1 Ų42.134%0.34422%0.221SC..Hα-helixtrans-69.7-42.3175-54.70000110.6F652 T710 M711 L712 S717 C718F652-T714 HydrophobicContact CE2-CG2 4.17Å; F652-T714 HydrophobicContact CZ-CG2 3.82Å; T710-T714 WeakPolarHBondContact O-CB 3.35Å; T710-T714 PolarHBondContact O-N 3.43Å; T710-T714 PolarHBondContact O-OG1 3.4Å; M711-T714 CarbonylContact O-C 3.47Å; M711-T714 WeakPolarHBondContact O-CA 3.32Å; M711-T714 WeakPolarHBondContact O-CB 3.43Å; M711-T714 PolarHBondContact O-N 3.24Å; M711-T714 VanDerWaalsContact O-N 3.09Å; L712-T714 VanDerWaalsContact C-N 3.29Å; L712-T714 PolarHBondContact O-N 3.12Å; T714-S717 PolarHBondContact O-N 3.23Å; T714-C718 WeakPolarHBondContact O-CB 3.33Å; T714-C718 PolarHBondContact O-N 3.12Å; T714-C718 PolarHBondContact O-SG 3.48Å
715M94.6Very high91.4Very high0 Ų041.4 Ų41.40%022%0.217CC..Hα-helixtrans-61.2-44.5175-65.1170.18700111.7F652 F655 Q677 I678 M681 M711 L712 C718 I719F652-M715 HydrophobicContact CD2-CG 3.9Å; F652-M715 HydrophobicContact CD2-SD 4.19Å; F652-M715 HydrophobicContact CE2-CG 3.84Å; F655-M715 HydrophobicContact CB-CE 3.9Å; F655-M715 HydrophobicContact CD1-CB 4.45Å; F655-M715 HydrophobicContact CD1-CE 4.18Å; F655-M715 HydrophobicContact CD1-CG 3.76Å; F655-M715 HydrophobicContact CD2-CE 3.44Å; F655-M715 VanDerWaalsContact CD2-CE 3.44Å; F655-M715 HydrophobicContact CD2-CG 4.36Å; F655-M715 HydrophobicContact CE1-CB 3.85Å; F655-M715 HydrophobicContact CE1-CG 3.62Å; F655-M715 HydrophobicContact CE2-CB 4.1Å; F655-M715 HydrophobicContact CE2-CE 3.96Å; F655-M715 HydrophobicContact CE2-CG 4.23Å; F655-M715 HydrophobicContact CG-CE 3.56Å; F655-M715 HydrophobicContact CG-CG 4.14Å; F655-M715 HydrophobicContact CZ-CB 3.63Å; F655-M715 HydrophobicContact CZ-CG 3.86Å; Q677-M715 HydrophobicContact CB-CE 4.4Å; I678-M715 HydrophobicContact CB-CE 4.47Å; I678-M715 HydrophobicContact CG1-CE 3.69Å; M681-M715 HydrophobicContact CB-SD 4.44Å; M681-M715 HydrophobicContact CG-CE 4.1Å; M681-M715 HydrophobicContact CG-SD 3.75Å; M711-M715 VanDerWaalsContact O-CG 3.31Å; M711-M715 WeakPolarHBondContact O-CG 3.28Å; M711-M715 PolarHBondContact O-N 2.82Å; L712-M715 PolarHBondContact O-N 3.11Å; M715-C718 PolarHBondContact O-N 3.38Å; M715-I719 WeakPolarHBondContact O-CD1 3.47Å; M715-I719 VanDerWaalsContact O-CG1 3.31Å; M715-I719 WeakPolarHBondContact O-CG1 3.31Å; M715-I719 PolarHBondContact O-N 2.92Å
716E93.3Very high91.7Very high25 Ų2539 Ų3912%0.11721%0.205CC..Hα-helixtrans-54.2-53.8173.3-166.4-172.7156.700111L712 C718 I719 Q720 W812 L816 H819L712-E716 PolarHBondContact O-N 3.22Å; E716-C718 VanDerWaalsContact C-N 3.35Å; E716-C718 PolarHBondContact O-N 3.4Å; E716-I719 PolarHBondContact O-N 2.87Å; E716-Q720 WeakPolarHBondContact O-CB 3.26Å; E716-Q720 PolarHBondContact O-N 3.19Å; E716-W812 HydrophobicContact CB-CZ2 3.55Å; E716-W812 HydrophobicContact CG-CZ2 3.89Å; E716-W812 PolarHBondContact OE2-NE1 2.9Å; E716-L816 HydrophobicContact CG-CB 4.15Å; E716-L816 HydrophobicContact CG-CD1 3.84Å; E716-H819 IonicContact OE1-CE1 2.82Å; E716-H819 IonicContact OE1-ND1 3.94Å; E716-H819 PolarHBondContact OE1-ND1 2.95Å
717S92.2Very high91.9Very high65 Ų6533.8 Ų33.846%0.45518%0.18SC..Hα-helixtrans-59.9-42.1-179.7-58.50000112.3K713 T714 Q720 E721K713-S717 WeakPolarHBondContact O-CB 3.43Å; K713-S717 PolarHBondContact O-N 3.43Å; K713-S717 PolarHBondContact O-OG 2.74Å; T714-S717 PolarHBondContact O-N 3.23Å; S717-Q720 PolarHBondContact O-N 3Å; S717-E721 WeakPolarHBondContact O-CB 3.48Å; S717-E721 PolarHBondContact O-N 3.09Å
718C92.6Very high92Very high30 Ų3035.8 Ų35.820%0.20319%0.186CC..Hα-helixtrans-64.4-42.8176.9-72.30000112.2F655 M659 T714 M715 E716 E721 K722F655-C718 HydrophobicContact CE1-CB 3.95Å; F655-C718 HydrophobicContact CZ-CB 4.05Å; M659-C718 VanDerWaalsContact CE-C 3.49Å; M659-C718 HydrophobicContact CE-CB 4.21Å; M659-C718 VanDerWaalsContact CE-O 3.24Å; M659-C718 WeakPolarHBondContact CE-O 3.25Å; T714-C718 WeakPolarHBondContact O-CB 3.33Å; T714-C718 PolarHBondContact O-N 3.12Å; T714-C718 PolarHBondContact O-SG 3.48Å; M715-C718 PolarHBondContact O-N 3.38Å; E716-C718 VanDerWaalsContact C-N 3.35Å; E716-C718 PolarHBondContact O-N 3.4Å; C718-E721 PolarHBondContact O-N 3.24Å; C718-K722 WeakPolarHBondContact O-CG 3.42Å; C718-K722 PolarHBondContact O-N 3.42Å
719I92.1Very high91.8Very high0 Ų037.5 Ų37.50%020%0.198CC..Hα-helixtrans-63.9-49.4177.2-68.5158.4000109.7F655 M659 I678 M715 E716 E721 K722 L723 W812 L816F655-I719 HydrophobicContact CE2-CD1 3.97Å; F655-I719 HydrophobicContact CE2-CG1 4.05Å; F655-I719 HydrophobicContact CZ-CD1 4.17Å; F655-I719 HydrophobicContact CZ-CG1 3.98Å; M659-I719 HydrophobicContact CE-CB 4.37Å; M659-I719 HydrophobicContact CE-CG1 3.93Å; M659-I719 HydrophobicContact SD-CG1 4.4Å; I678-I719 HydrophobicContact CD1-CD1 3.51Å; M715-I719 WeakPolarHBondContact O-CD1 3.47Å; M715-I719 VanDerWaalsContact O-CG1 3.31Å; M715-I719 WeakPolarHBondContact O-CG1 3.31Å; M715-I719 PolarHBondContact O-N 2.92Å; E716-I719 PolarHBondContact O-N 2.87Å; I719-E721 VanDerWaalsContact C-N 3.32Å; I719-E721 PolarHBondContact O-N 3.09Å; I719-K722 PolarHBondContact O-N 2.94Å; I719-L723 HydrophobicContact CG2-CD1 3.53Å; I719-L723 HydrophobicContact CG2-CG 4.02Å; I719-L723 WeakPolarHBondContact O-CB 2.97Å; I719-L723 VanDerWaalsContact O-CG 3.3Å; I719-L723 WeakPolarHBondContact O-CG 3.35Å; I719-L723 PolarHBondContact O-N 2.84Å; I719-W812 HydrophobicContact CD1-CH2 3.92Å; I719-L816 HydrophobicContact CG2-CD1 4.29Å; I719-L816 HydrophobicContact CG2-CD2 4.09Å
720Q90.8Very high91.7Very high29 Ų2934.3 Ų34.314%0.13618%0.183CC..Hα-helixtrans-55.1-44.8177-168.8-169.82.900111.7E716 S717 H724 L816 H819 N823E716-Q720 WeakPolarHBondContact O-CB 3.26Å; E716-Q720 PolarHBondContact O-N 3.19Å; S717-Q720 PolarHBondContact O-N 3Å; Q720-H724 WeakPolarHBondContact O-CB 2.88Å; Q720-H724 PolarHBondContact O-N 3.41Å; Q720-L816 HydrophobicContact CB-CD1 4.17Å; Q720-H819 PolarHBondContact NE2-O 3.47Å; Q720-N823 PolarHBondContact NE2-ND2 2.91Å
721E90.3Very high91.5Very high93 Ų9330.5 Ų30.544%0.43516%0.159SC..Hα-helixtrans-63.3-41.3178.4-166-121.6124.500112.8K664 S717 C718 I719 G725K664-E721 IonicContact NZ-OE1 3.03Å; K664-E721 PolarHBondContact NZ-OE1 3.44Å; S717-E721 WeakPolarHBondContact O-CB 3.48Å; S717-E721 PolarHBondContact O-N 3.09Å; C718-E721 PolarHBondContact O-N 3.24Å; I719-E721 VanDerWaalsContact C-N 3.32Å; I719-E721 PolarHBondContact O-N 3.09Å; E721-G725 PolarHBondContact O-N 3.16Å
722K90.1Very high91.2Very high43 Ų4332.8 Ų32.819%0.18718%0.178CC..Hα-helixtrans-71.6-45.5177.6-57.8-53.2171.1179.70112M659 A662 C718 I719 H724 G725 V726M659-K722 HydrophobicContact CE-CB 4.05Å; M659-K722 HydrophobicContact CE-CG 3.41Å; M659-K722 VanDerWaalsContact CE-CG 3.41Å; M659-K722 WeakPolarHBondContact O-CE 3.47Å; A662-K722 HydrophobicContact CB-CB 4.42Å; A662-K722 HydrophobicContact CB-CD 4.28Å; A662-K722 HydrophobicContact CB-CG 4.04Å; C718-K722 WeakPolarHBondContact O-CG 3.42Å; C718-K722 PolarHBondContact O-N 3.42Å; I719-K722 PolarHBondContact O-N 2.94Å; K722-H724 VanDerWaalsContact C-N 3.32Å; K722-H724 PolarHBondContact O-N 2.69Å; K722-G725 PolarHBondContact O-N 2.98Å; K722-V726 PolarHBondContact O-N 2.97Å
723L90.8Very high90.7Very high1 Ų136.8 Ų36.81%0.00519%0.192CC..Hα-helixtrans-63.7-38.8178.6-66179.7000111.4I719 V726 F795 C799 L803 W820I719-L723 HydrophobicContact CG2-CD1 3.53Å; I719-L723 HydrophobicContact CG2-CG 4.02Å; I719-L723 WeakPolarHBondContact O-CB 2.97Å; I719-L723 VanDerWaalsContact O-CG 3.3Å; I719-L723 WeakPolarHBondContact O-CG 3.35Å; I719-L723 PolarHBondContact O-N 2.84Å; L723-V726 PolarHBondContact O-N 3.46Å; L723-F795 HydrophobicContact CD2-CE2 4.2Å; L723-F795 HydrophobicContact CD2-CZ 3.69Å; L723-C799 HydrophobicContact CD2-CB 4.17Å; L723-L803 HydrophobicContact CD1-CD1 4.19Å; L723-W820 HydrophobicContact CB-CD2 4.25Å; L723-W820 HydrophobicContact CB-CH2 4.45Å; L723-W820 HydrophobicContact CB-CZ2 3.74Å; L723-W820 HydrophobicContact CD1-CD2 4.02Å; L723-W820 HydrophobicContact CD1-CE3 3.9Å; L723-W820 HydrophobicContact CD1-CH2 3.92Å; L723-W820 HydrophobicContact CD1-CZ2 4.02Å; L723-W820 HydrophobicContact CD1-CZ3 3.84Å; L723-W820 HydrophobicContact CD2-CH2 4.35Å; L723-W820 HydrophobicContact CD2-CZ2 4.3Å; L723-W820 HydrophobicContact CG-CH2 4.49Å; L723-W820 HydrophobicContact CG-CZ2 4.24Å
724H90.2Very high90.3Very high18 Ų1831.7 Ų31.78%0.08317%0.17CC..Hα-helixtrans-65.6-43.3172.3-169.170.5000112Q720 K722 V726 L727 E728 N823 S827Q720-H724 WeakPolarHBondContact O-CB 2.88Å; Q720-H724 PolarHBondContact O-N 3.41Å; K722-H724 VanDerWaalsContact C-N 3.32Å; K722-H724 PolarHBondContact O-N 2.69Å; H724-V726 PolarHBondContact O-N 3.21Å; H724-V726 VanDerWaalsContact O-N 3.13Å; H724-L727 WeakPolarHBondContact O-CA 3.41Å; H724-L727 WeakPolarHBondContact O-CB 3.42Å; H724-L727 PolarHBondContact O-N 2.93Å; H724-E728 IonicContact CD2-OE1 3.24Å; H724-E728 PolarHBondContact O-N 3.26Å; H724-E728 VanDerWaalsContact O-N 3.09Å; H724-N823 PolarHBondContact CE1-O 3.25Å; H724-S827 PolarHBondContact CE1-OG 3.01Å; H724-S827 PolarHBondContact NE2-OG 3.1Å
725G89.8Confident89.8Confident1 Ų130 Ų301%0.0116%0.162CC..Hα-helixtrans-60-23.2178.100000115E721 K722 E728 S729E721-G725 PolarHBondContact O-N 3.16Å; K722-G725 PolarHBondContact O-N 2.98Å; G725-E728 WeakPolarHBondContact CA-OE2 3.4Å; G725-S729 WeakPolarHBondContact O-CB 3.31Å; G725-S729 PolarHBondContact O-N 2.9Å
726V91.3Very high89.2Confident0 Ų036.5 Ų36.50%019%0.186CC..Hα-helixtrans-68.8-37.9170.21800000111.3T666 K722 L723 H724 S729 V730 Y792 F795T666-V726 HydrophobicContact CG2-CG1 4.31Å; K722-V726 PolarHBondContact O-N 2.97Å; L723-V726 PolarHBondContact O-N 3.46Å; H724-V726 PolarHBondContact O-N 3.21Å; H724-V726 VanDerWaalsContact O-N 3.13Å; V726-S729 WeakPolarHBondContact O-CB 3.44Å; V726-S729 PolarHBondContact O-N 3.06Å; V726-V730 WeakPolarHBondContact O-CG2 3.36Å; V726-V730 PolarHBondContact O-N 3.42Å; V726-V730 VanDerWaalsContact O-N 3.08Å; V726-Y792 HydrophobicContact CB-CE2 4.46Å; V726-Y792 HydrophobicContact CG1-CD2 4.15Å; V726-Y792 HydrophobicContact CG1-CE2 4.06Å; V726-F795 HydrophobicContact CB-CD1 4.27Å; V726-F795 HydrophobicContact CB-CE1 3.62Å; V726-F795 HydrophobicContact CB-CE2 4.43Å; V726-F795 HydrophobicContact CB-CZ 3.71Å; V726-F795 HydrophobicContact CG1-CD1 3.66Å; V726-F795 HydrophobicContact CG1-CD2 4.39Å; V726-F795 HydrophobicContact CG1-CE1 3.55Å; V726-F795 HydrophobicContact CG1-CE2 4.29Å; V726-F795 HydrophobicContact CG1-CG 4.08Å; V726-F795 HydrophobicContact CG1-CZ 3.88Å; V726-F795 HydrophobicContact CG2-CE1 4.07Å; V726-F795 HydrophobicContact CG2-CE2 4.02Å; V726-F795 HydrophobicContact CG2-CZ 3.6Å
727L91.3Very high88.3Confident0 Ų038.2 Ų38.20%019%0.192CC..Hα-helixtrans-68-44.8174.2-178.560.6000111.2H724 S729 V730 L731 Y792 Q824 I828H724-L727 WeakPolarHBondContact O-CA 3.41Å; H724-L727 WeakPolarHBondContact O-CB 3.42Å; H724-L727 PolarHBondContact O-N 2.93Å; L727-S729 VanDerWaalsContact C-N 3.25Å; L727-S729 PolarHBondContact O-N 2.9Å; L727-V730 CarbonylContact O-C 3.58Å; L727-V730 WeakPolarHBondContact O-CA 3.38Å; L727-V730 WeakPolarHBondContact O-CB 3.34Å; L727-V730 PolarHBondContact O-N 2.9Å; L727-L731 HydrophobicContact CD1-CD1 4.48Å; L727-L731 HydrophobicContact CD1-CG 4.22Å; L727-L731 HydrophobicContact CG-CD1 4.06Å; L727-L731 HydrophobicContact CG-CG 4.25Å; L727-L731 WeakPolarHBondContact O-CG 3.17Å; L727-L731 PolarHBondContact O-N 2.98Å; L727-Y792 HydrophobicContact CB-CE2 3.79Å; L727-Y792 HydrophobicContact CD1-CD2 4.47Å; L727-Y792 HydrophobicContact CD1-CE1 4.13Å; L727-Y792 HydrophobicContact CD1-CE2 4.07Å; L727-Q824 HydrophobicContact CD2-CB 3.7Å; L727-Q824 HydrophobicContact CD2-CG 3.62Å; L727-I828 HydrophobicContact CD1-CD1 4.47Å; L727-I828 HydrophobicContact CD2-CD1 4.11Å; L727-I828 HydrophobicContact CD2-CG1 4.09Å
728E90.1Very high87.6Confident93 Ų9336.3 Ų36.344%0.43518%0.177SC..Hα-helixtrans-55.8-42.2174.8-62.3-178.3129.900111.7H724 G725 V730 L731 S732H724-E728 IonicContact CD2-OE1 3.24Å; H724-E728 PolarHBondContact O-N 3.26Å; H724-E728 VanDerWaalsContact O-N 3.09Å; G725-E728 WeakPolarHBondContact CA-OE2 3.4Å; E728-V730 VanDerWaalsContact C-N 3.34Å; E728-V730 PolarHBondContact O-N 3.18Å; E728-L731 PolarHBondContact O-N 3.27Å; E728-S732 VanDerWaalsContact O-CB 3.27Å; E728-S732 WeakPolarHBondContact O-CB 3.42Å; E728-S732 PolarHBondContact O-N 3.27Å
729S89Confident86.2Confident37 Ų3740.5 Ų40.526%0.25919%0.194SC..Hα-helixtrans-61.9-38.9174.8-175.50000112.3K664 G725 V726 L727 R733K664-S729 WeakPolarHBondContact O-CB 3.31Å; K664-S729 PolarHBondContact O-OG 3.29Å; G725-S729 WeakPolarHBondContact O-CB 3.31Å; G725-S729 PolarHBondContact O-N 2.9Å; V726-S729 WeakPolarHBondContact O-CB 3.44Å; V726-S729 PolarHBondContact O-N 3.06Å; L727-S729 VanDerWaalsContact C-N 3.25Å; L727-S729 PolarHBondContact O-N 2.9Å; S729-R733 VanDerWaalsContact O-CG 3.27Å; S729-R733 WeakPolarHBondContact O-CG 3.37Å; S729-R733 PolarHBondContact O-N 3.01Å
730V88.8Confident84.6Confident1 Ų144.5 Ų44.51%0.00623%0.234CC..Hα-helixtrans-67.8-47.3173.1166.80000111.7T666 V726 L727 E728 S732 R733 L734 I788 Y792 I851T666-V730 HydrophobicContact CG2-CG2 3.57Å; V726-V730 WeakPolarHBondContact O-CG2 3.36Å; V726-V730 PolarHBondContact O-N 3.42Å; V726-V730 VanDerWaalsContact O-N 3.08Å; L727-V730 CarbonylContact O-C 3.58Å; L727-V730 WeakPolarHBondContact O-CA 3.38Å; L727-V730 WeakPolarHBondContact O-CB 3.34Å; L727-V730 PolarHBondContact O-N 2.9Å; E728-V730 VanDerWaalsContact C-N 3.34Å; E728-V730 PolarHBondContact O-N 3.18Å; V730-S732 VanDerWaalsContact C-N 3.33Å; V730-S732 PolarHBondContact O-N 3.45Å; V730-R733 WeakPolarHBondContact O-CB 3.22Å; V730-R733 PolarHBondContact O-N 3.43Å; V730-R733 VanDerWaalsContact O-N 3.11Å; V730-L734 HydrophobicContact CG1-CD1 4.17Å; V730-L734 HydrophobicContact CG1-CG 4.47Å; V730-L734 WeakPolarHBondContact O-CG 3.33Å; V730-L734 PolarHBondContact O-N 2.63Å; V730-I788 HydrophobicContact CG1-CG2 3.79Å; V730-Y792 HydrophobicContact CB-CD2 4.48Å; V730-Y792 HydrophobicContact CG2-CD2 3.91Å; V730-Y792 HydrophobicContact CG2-CG 4.47Å; V730-I851 HydrophobicContact CG1-CD1 3.99Å
731L88.6Confident83.1Confident9 Ų945.4 Ų45.45%0.04724%0.24CC..Hα-helixtrans-61.2-39.7177.2-67.8176.5000111.9L727 E728 L734 A735 I828 W831 L848L727-L731 HydrophobicContact CD1-CD1 4.48Å; L727-L731 HydrophobicContact CD1-CG 4.22Å; L727-L731 HydrophobicContact CG-CD1 4.06Å; L727-L731 HydrophobicContact CG-CG 4.25Å; L727-L731 WeakPolarHBondContact O-CG 3.17Å; L727-L731 PolarHBondContact O-N 2.98Å; E728-L731 PolarHBondContact O-N 3.27Å; L731-L734 PolarHBondContact O-N 2.97Å; L731-A735 PolarHBondContact O-N 2.92Å; L731-I828 HydrophobicContact CD1-CG1 4.44Å; L731-I828 HydrophobicContact CD2-CG1 4.46Å; L731-W831 HydrophobicContact CB-CG 4.3Å; L731-W831 HydrophobicContact CD1-CB 4.27Å; L731-W831 HydrophobicContact CD1-CG 4.45Å; L731-W831 HydrophobicContact CD2-CB 4.45Å; L731-W831 HydrophobicContact CD2-CD2 4.18Å; L731-W831 HydrophobicContact CD2-CG 4.05Å; L731-W831 PolarHBondContact O-NE1 3.13Å; L731-L848 HydrophobicContact CD2-CD2 3.68Å
732S87.3Confident81.3Confident72 Ų7245.6 Ų45.650%0.50325%0.25SC..Hα-helixtrans-64.9-36.5173.1-176.80000112.8E728 V730E728-S732 VanDerWaalsContact O-CB 3.27Å; E728-S732 WeakPolarHBondContact O-CB 3.42Å; E728-S732 PolarHBondContact O-N 3.27Å; V730-S732 VanDerWaalsContact C-N 3.33Å; V730-S732 PolarHBondContact O-N 3.45Å
733R85.4Confident79.6Confident92 Ų9248 Ų4835%0.34726%0.263SS..Hα-helixtrans-67.5-37.4171.2-74.2169.164.2-174.30.9111.8S729 V730 R736S729-R733 VanDerWaalsContact O-CG 3.27Å; S729-R733 WeakPolarHBondContact O-CG 3.37Å; S729-R733 PolarHBondContact O-N 3.01Å; V730-R733 WeakPolarHBondContact O-CB 3.22Å; V730-R733 PolarHBondContact O-N 3.43Å; V730-R733 VanDerWaalsContact O-N 3.11Å; R733-R736 WeakPolarHBondContact O-CB 3.48Å; R733-R736 WeakPolarHBondContact O-CG 3.28Å; R733-R736 PolarHBondContact O-N 3.26Å
734L84.5Confident77.6Confident0 Ų048.4 Ų48.40%027%0.269CS..Hα-helixtrans-70-35.5177.6-68.9177.7000112.4V730 L731 R736 Y737 I788 W831 Q844 L848V730-L734 HydrophobicContact CG1-CD1 4.17Å; V730-L734 HydrophobicContact CG1-CG 4.47Å; V730-L734 WeakPolarHBondContact O-CG 3.33Å; V730-L734 PolarHBondContact O-N 2.63Å; L731-L734 PolarHBondContact O-N 2.97Å; L734-R736 PolarHBondContact O-N 3.25Å; L734-Y737 WeakPolarHBondContact O-CD2 3.45Å; L734-Y737 PolarHBondContact O-N 2.99Å; L734-I788 HydrophobicContact CD2-CB 4.38Å; L734-I788 HydrophobicContact CD2-CD1 4.02Å; L734-I788 HydrophobicContact CD2-CG2 4.03Å; L734-I788 HydrophobicContact CG-CG2 4.34Å; L734-W831 HydrophobicContact CB-CZ2 4.09Å; L734-Q844 HydrophobicContact CB-CG 4.42Å; L734-Q844 PolarHBondContact O-NE2 3.1Å; L734-L848 HydrophobicContact CD1-CD2 3.92Å; L734-L848 HydrophobicContact CD1-CG 3.97Å
735A83.7Confident75.6Confident21 Ų2150.5 Ų50.517%0.17429%0.289CS..G310 helixtrans-60.8-13.6173.800000114.4L731 Y737 D738 W831L731-A735 PolarHBondContact O-N 2.92Å; A735-Y737 PolarHBondContact O-N 3.37Å; A735-D738 WeakPolarHBondContact O-CB 3.47Å; A735-D738 PolarHBondContact O-N 3.01Å; A735-W831 HydrophobicContact CB-CZ2 4.43Å
736R80.3Confident73.5Confident136 Ų13656 Ų5651%0.51332%0.317SS..G310 helixtrans-70.5-12.7172.9-58.2-178.7-175.4-167.7-0.5113.6R733 L734R733-R736 WeakPolarHBondContact O-CB 3.48Å; R733-R736 WeakPolarHBondContact O-CG 3.28Å; R733-R736 PolarHBondContact O-N 3.26Å; L734-R736 PolarHBondContact O-N 3.25Å
737Y75.3Confident71.5Confident62 Ų6260 Ų6024%0.24334%0.337CS..G310 helixtrans-102.26.1178.7-59.8-89.9000113L734 A735 I788 T843L734-Y737 WeakPolarHBondContact O-CD2 3.45Å; L734-Y737 PolarHBondContact O-N 2.99Å; A735-Y737 PolarHBondContact O-N 3.37Å; Y737-I788 HydrophobicContact CE2-CD1 4.18Å; Y737-T843 HydrophobicContact CE1-CG2 4.35Å; Y737-T843 HydrophobicContact CE2-CG2 4.31Å
738D78.1Confident69.2Low25 Ų2566 Ų6613%0.13437%0.369CS..SBendtrans-62143.1176.6-66.3-15.3000111.5A735 G740 N741 R835 Q844A735-D738 WeakPolarHBondContact O-CB 3.47Å; A735-D738 PolarHBondContact O-N 3.01Å; D738-G740 PolarHBondContact O-N 3.4Å; D738-N741 WeakPolarHBondContact O-CB 3.45Å; D738-N741 PolarHBondContact O-N 3.02Å; D738-N741 VanDerWaalsContact O-N 3.16Å; D738-R835 VanDerWaalsContact CG-NE 3.34Å; D738-R835 IonicContact OD1-CZ 3.99Å; D738-R835 IonicContact OD1-NE 3.28Å; D738-R835 PolarHBondContact OD1-NE 3.21Å; D738-R835 IonicContact OD2-CZ 3.33Å; D738-R835 IonicContact OD2-NE 3.43Å; D738-R835 PolarHBondContact OD2-NE 3.48Å; D738-R835 IonicContact OD2-NH2 2.77Å; D738-R835 PolarHBondContact OD2-NH2 3.43Å; D738-Q844 PolarHBondContact OD1-NE2 3.05Å
739E62.5Low67Low118 Ų11868.2 Ų68.255%0.55138%0.383SS*.THydrogen-bonded Turntrans-62.2124.9-179.3-63.1-169.2100.300111.3S839E739-S839 PolarHBondContact OE1-OG 3.4Å; E739-S839 PolarHBondContact OE2-N 3.04Å; E739-S839 VanDerWaalsContact OE2-N 3.15Å; E739-S839 PolarHBondContact OE2-OG 2.87Å
740G59.4Low64.2Low83 Ų8369 Ų6986%0.85639%0.392SS*.THydrogen-bonded Turntrans97.9-5.1-175.800000115.4D738D738-G740 PolarHBondContact O-N 3.4Å
741N57.8Low61.7Low49 Ų4975.2 Ų75.226%0.26243%0.432SS..  trans-76123174.4-168.1-33.6000111.3D738 I743 G744D738-N741 WeakPolarHBondContact O-CB 3.45Å; D738-N741 PolarHBondContact O-N 3.02Å; D738-N741 VanDerWaalsContact O-N 3.16Å; N741-I743 PolarHBondContact O-N 3.23Å; N741-I743 VanDerWaalsContact O-N 3.09Å; N741-I743 PolarHBondContact OD1-N 2.85Å; N741-I743 VanDerWaalsContact OD1-N 3.14Å; N741-G744 PolarHBondContact O-N 2.92Å
742P53.1Low59.1Low97 Ų9783.2 Ų83.263%0.6347%0.467SS*.Hα-helixtrans-62.1-21.5-177.524.6-34.8000113.9I746P742-I746 WeakPolarHBondContact O-CG1 3.34Å
743I54.4Low56.8Low92 Ų9285.8 Ų85.847%0.47248%0.482SS..Hα-helixtrans-77.5-34.8176.9-60.5176.1000111.1N741 I746 L747N741-I743 PolarHBondContact O-N 3.23Å; N741-I743 VanDerWaalsContact O-N 3.09Å; N741-I743 PolarHBondContact OD1-N 2.85Å; N741-I743 VanDerWaalsContact OD1-N 3.14Å; I743-I746 PolarHBondContact O-N 3.33Å; I743-L747 HydrophobicContact CG2-CD1 3.82Å; I743-L747 HydrophobicContact CG2-CG 4.33Å; I743-L747 WeakPolarHBondContact O-CG 3.44Å; I743-L747 PolarHBondContact O-N 3.2Å; I743-L747 VanDerWaalsContact O-N 3.08Å
744G48.8Very low54.4Low11 Ų1185.7 Ų85.711%0.11350%0.5CS..Hα-helixtrans-63.7-41.7178.500000112.6N741 I746 L747 N748N741-G744 PolarHBondContact O-N 2.92Å; G744-I746 VanDerWaalsContact C-N 3.3Å; G744-I746 PolarHBondContact O-N 3.38Å; G744-L747 PolarHBondContact O-N 3.49Å; G744-N748 PolarHBondContact O-N 3.35Å; G744-N748 VanDerWaalsContact O-N 3.16Å
745A48.5Very low52.2Low61 Ų6191.1 Ų91.150%0.50454%0.539SS..Hα-helixtrans-61.9-34.9176.300000113.2I749A745-I749 WeakPolarHBondContact O-CG1 3.29Å
746I45.7Very low50.1Low117 Ų11797.3 Ų97.360%0.657%0.567SS**Hα-helixtrans-78.5-34.8179.7-63.3170.4000111.2P742 I743 G744 I749 A750P742-I746 WeakPolarHBondContact O-CG1 3.34Å; I743-I746 PolarHBondContact O-N 3.33Å; G744-I746 VanDerWaalsContact C-N 3.3Å; G744-I746 PolarHBondContact O-N 3.38Å; I746-I749 PolarHBondContact O-N 3.15Å; I746-A750 PolarHBondContact O-N 3.43Å
747L49Very low48.1Very low83 Ų83100.1 Ų100.144%0.43558%0.583SS.*Hα-helixtrans-74.9-28.4-179.6-73.2173.4000113.9I743 G744 I749I743-L747 HydrophobicContact CG2-CD1 3.82Å; I743-L747 HydrophobicContact CG2-CG 4.33Å; I743-L747 WeakPolarHBondContact O-CG 3.44Å; I743-L747 PolarHBondContact O-N 3.2Å; I743-L747 VanDerWaalsContact O-N 3.08Å; G744-L747 PolarHBondContact O-N 3.49Å; L747-I749 VanDerWaalsContact C-N 3.31Å; L747-I749 PolarHBondContact O-N 3.04Å
748N43.5Very low46.2Very low126 Ų126104.6 Ų104.667%0.67461%0.611SS**THydrogen-bonded Turntrans-75.6-13.4174.5-91.81000114.3G744G744-N748 PolarHBondContact O-N 3.35Å; G744-N748 VanDerWaalsContact O-N 3.16Å
749I43Very low44.3Very low140 Ų140112.6 Ų112.672%0.71865%0.645SS**THydrogen-bonded Turntrans-115.9-10-168.6-63.2178.8000113.5A745 I746 L747 P751A745-I749 WeakPolarHBondContact O-CG1 3.29Å; I746-I749 PolarHBondContact O-N 3.15Å; L747-I749 VanDerWaalsContact C-N 3.31Å; L747-I749 PolarHBondContact O-N 3.04Å; I749-P751 WeakPolarHBondContact O-CD 3.1Å
750A29.9Very low43Very low55 Ų55115 Ų11546%0.45566%0.661SS.*  trans-98.3112.1-173.400000114.8I746 K752I746-A750 PolarHBondContact O-N 3.43Å; A750-K752 PolarHBondContact O-N 2.82Å
751P36.5Very low41.8Very low131 Ų131120.8 Ų120.885%0.85166%0.662SS**  trans-74.4120.9163.515.7-4.7000109.7I749I749-P751 WeakPolarHBondContact O-CD 3.1Å
752K34.9Very low40.8Very low177 Ų177124.6 Ų124.677%0.7769%0.688SS**  trans-89.2150.5-177.9-85.9-170.4177.8179.70114.1A750 A754A750-K752 PolarHBondContact O-N 2.82Å; K752-A754 PolarHBondContact O-N 2.69Å
753P37.9Very low39.9Very low126 Ų126128.9 Ų128.982%0.81870%0.702SS**  trans-88.198.3-165.434.1-35.1000113.1
754A35.5Very low38.9Very low89 Ų89129.9 Ų129.974%0.73672%0.724SS**  trans-1209.3174.500000114.5K752K752-A754 PolarHBondContact O-N 2.69Å
755S37.6Very low38Very low115 Ų115132.6 Ų132.680%0.80475%0.752SS**SBendtrans-100.4-7.2-170.8-1580000115.4
756I40.9Very low37Very low151 Ų151137.1 Ų137.177%0.77477%0.767SS**SBendtrans-99-24-169.3-62.7177.2000113.4
757F37.3Very low36.2Very low194 Ų194137.8 Ų137.885%0.85178%0.777SS**G310 helixtrans-87.9-10.1-171.5-128.7-92.5000115.8K759F757-K759 VanDerWaalsContact C-N 3.34Å; F757-K759 PolarHBondContact O-N 2.8Å
758N36.8Very low35.3Very low156 Ų156138.6 Ų138.683%0.83479%0.79SS**G310 helixtrans-88.313.9-175.2-81.6-13.6000115
759K36.9Very low34.6Very low193 Ų193136.7 Ų136.784%0.83979%0.792SS**G310 helixtrans-119.418.5-174.5-123.7179.2-175.5-178.90115.8F757F757-K759 VanDerWaalsContact C-N 3.34Å; F757-K759 PolarHBondContact O-N 2.8Å
760L35.5Very low33.9Very low170 Ų170138.8 Ų138.889%0.8980%0.798SS**SBendtrans-134.520.8-179.7-141.4104.4000115.7
761K34.1Very low33.8Very low203 Ų203140.3 Ų140.388%0.88381%0.811SS**  trans-131.248.4177.5-154.5176.4-178.6179.80113.5
762T38.1Very low33.4Very low130 Ų130141.3 Ų141.380%0.79882%0.815SS**  trans-135.369.9171.549.80000111.1
763M33.1Very low33Very low186 Ų186139 Ų13992%0.91682%0.816SS**  trans-152.6135.4153-75.5-153.2-161.900108.6
764A32.8Very low32.5Very low113 Ų113140 Ų14093%0.93482%0.819SS**  trans58.4128.2-173.200000115.4
765G30.1Very low32.1Very low68 Ų68140.4 Ų140.470%0.70182%0.823SS**  cis157.2120.6-3.200000109.5
766D27.8Very low31.6Very low156 Ų156147.1 Ų147.183%0.83483%0.831SS**  trans16.8138.9156-51.5-28.2000119.3
767T29Very low30.9Very low132 Ų132148.7 Ų148.781%0.8184%0.835SS**  cis-158.6-179.121.4-10.20000107.8
768S29.4Very low30.6Very low100 Ų100145.2 Ų145.270%0.69983%0.832SS**  cis-161.6164.32.748.40000110.2
769A30.1Very low30.2Very low86 Ų86144.5 Ų144.571%0.71183%0.827SS**  trans36137142.200000121.2
770Q28.5Very low29.9Very low184 Ų184141 Ų14186%0.8682%0.822SS**  cis-153.8130.76.2-100.9153.7-8.500106.1
771A26.2Very low29.6Very low87 Ų87138.3 Ų138.372%0.71982%0.824SS**  76.196.870.400000115.6
772T28.1Very low29.6Very low151 Ų151136.8 Ų136.893%0.92682%0.82SS**  trans-147.3142.513124.60000109.8
773T26.5Very low29.4Very low130 Ų130136.2 Ų136.280%0.79881%0.809SS**  trans-128.3141.4-165.748.50000111.9
774T28.1Very low29.9Very low145 Ų145132.4 Ų132.489%0.8980%0.8SS**  trans-149.8117.4152.812.60000112.6
775A28.2Very low30.6Very low99 Ų99128.2 Ų128.282%0.81876%0.764SS**  trans36.4109153.600000120.9
776R25.9Very low32Very low256 Ų256125.6 Ų125.697%0.96674%0.737SS**  trans-113.7127.1145.4-83.4-176.9171.6175-2.3109.4
777Q26.9Very low34.3Very low184 Ų184123.9 Ų123.986%0.8672%0.724SS**PPolyproline II helixtrans-95.6159.2163.6-92.5-175.5-11.900110.5
778P30.6Very low36.8Very low120 Ų120118.4 Ų118.478%0.77969%0.69SS**PPolyproline II helixtrans-83.6138-162.532.4-34.9000113.3
779L29.2Very low39.4Very low142 Ų142113.7 Ų113.774%0.74366%0.656SS**PPolyproline II helixtrans-101120.8172.5-84.2154.7000110.4
780T28.7Very low42.1Very low120 Ų120113.8 Ų113.874%0.73665%0.645SS**PPolyproline II helixtrans-88.3120.8178.844.40000112.3Q782T780-Q782 VanDerWaalsContact C-N 3.29Å; T780-Q782 PolarHBondContact O-N 2.88Å
781A30.6Very low44.9Very low112 Ų112107.5 Ų107.593%0.92662%0.621SS**SBendtrans50.30.1140.800000123
782Q32.9Very low47.9Very low171 Ų171103.3 Ų103.380%0.79959%0.587SS**  trans-107.720.6-175.9-148.7173.19.600114T780T780-Q782 VanDerWaalsContact C-N 3.29Å; T780-Q782 PolarHBondContact O-N 2.88Å
783Q35.4Very low50.9Low119 Ų11997 Ų9756%0.55655%0.548SS*.  trans-95.83.1-156.5-98.4-174.3-11.700118.2Q787Q783-Q787 WeakPolarHBondContact O-CG 3.28Å; Q783-Q787 PolarHBondContact O-NE2 3.37Å
784S43.7Very low53.9Low106 Ų10695.6 Ų95.674%0.74154%0.54SS*.SBendtrans-95.5-29.8-175.4570000115.7
785S47.5Very low57Low25 Ų2588.8 Ų88.818%0.17550%0.498CS..SBendtrans-84.4-25.2-171.651.40000115.1
786G58.5Low60Low13 Ų1384.1 Ų84.113%0.13446%0.459CS..SBendtrans-93.9-2.7-17800000116I788 N790G786-I788 PolarHBondContact O-N 2.67Å; G786-N790 PolarHBondContact O-N 2.82Å; G786-N790 VanDerWaalsContact O-N 3.13Å; G786-N790 PolarHBondContact O-ND2 2.95Å
787Q75.3Confident63.1Low120 Ų12076 Ų7656%0.56143%0.431SS*.Hα-helixtrans-64.8-38.8-170.7-63.3-169.5-3.800113Q783 N790 S791Q783-Q787 WeakPolarHBondContact O-CG 3.28Å; Q783-Q787 PolarHBondContact O-NE2 3.37Å; Q787-N790 PolarHBondContact O-N 2.78Å; Q787-S791 WeakPolarHBondContact O-CB 3.42Å; Q787-S791 PolarHBondContact O-N 3.05Å; Q787-S791 PolarHBondContact O-OG 3.41Å
788I82.4Confident66Low17 Ų1768.3 Ų68.39%0.08740%0.402CS..Hα-helixtrans-66.2-46.9-176.5-59.8176.1000110.8V730 L734 Y737 G786 Y792V730-I788 HydrophobicContact CG1-CG2 3.79Å; L734-I788 HydrophobicContact CD2-CB 4.38Å; L734-I788 HydrophobicContact CD2-CD1 4.02Å; L734-I788 HydrophobicContact CD2-CG2 4.03Å; L734-I788 HydrophobicContact CG-CG2 4.34Å; Y737-I788 HydrophobicContact CE2-CD1 4.18Å; G786-I788 PolarHBondContact O-N 2.67Å; I788-Y792 PolarHBondContact O-N 2.83Å
789G83.3Confident68.9Low0 Ų062.7 Ų62.70%037%0.366CS..Hα-helixtrans-61.9-47.3175.500000113S791 Y792 V793 S847G789-S791 PolarHBondContact O-N 3.3Å; G789-Y792 PolarHBondContact O-N 2.88Å; G789-V793 WeakPolarHBondContact O-CG2 3.26Å; G789-V793 PolarHBondContact O-N 2.92Å; G789-S847 PolarHBondContact N-OG 2.78Å
790N86.7Confident71.8Confident89 Ų8956 Ų5648%0.47633%0.33SS..Hα-helixtrans-62.2-41.4178.8-73.6-25.5000112.6G786 Q787 Y792 V793 T794G786-N790 PolarHBondContact O-N 2.82Å; G786-N790 VanDerWaalsContact O-N 3.13Å; G786-N790 PolarHBondContact O-ND2 2.95Å; Q787-N790 PolarHBondContact O-N 2.78Å; N790-Y792 VanDerWaalsContact C-N 3.32Å; N790-Y792 PolarHBondContact O-N 3.41Å; N790-V793 PolarHBondContact O-N 3.25Å; N790-T794 PolarHBondContact O-N 2.9Å; N790-T794 PolarHBondContact O-OG1 3.45Å; N790-T794 VanDerWaalsContact O-OG1 3.05Å
791S87.4Confident74.7Confident51 Ų5155.3 Ų55.336%0.35732%0.319SS..Hα-helixtrans-61.7-38175.1-64.70000112.6Q787 G789 F795Q787-S791 WeakPolarHBondContact O-CB 3.42Å; Q787-S791 PolarHBondContact O-N 3.05Å; Q787-S791 PolarHBondContact O-OG 3.41Å; G789-S791 PolarHBondContact O-N 3.3Å; S791-F795 WeakPolarHBondContact O-CB 3.43Å; S791-F795 PolarHBondContact O-N 2.97Å; S791-F795 VanDerWaalsContact O-N 3.09Å
792Y90.4Very high77.5Confident0 Ų051.6 Ų51.60%028%0.283CS..Hα-helixtrans-68.2-40.9174.5-174.9-94.6000112.4T666 V726 L727 V730 I788 G789 N790 F795 F796 Q824 I851 V855T666-Y792 HydrophobicContact CG2-CD2 4.47Å; V726-Y792 HydrophobicContact CB-CE2 4.46Å; V726-Y792 HydrophobicContact CG1-CD2 4.15Å; V726-Y792 HydrophobicContact CG1-CE2 4.06Å; L727-Y792 HydrophobicContact CB-CE2 3.79Å; L727-Y792 HydrophobicContact CD1-CD2 4.47Å; L727-Y792 HydrophobicContact CD1-CE1 4.13Å; L727-Y792 HydrophobicContact CD1-CE2 4.07Å; V730-Y792 HydrophobicContact CB-CD2 4.48Å; V730-Y792 HydrophobicContact CG2-CD2 3.91Å; V730-Y792 HydrophobicContact CG2-CG 4.47Å; I788-Y792 PolarHBondContact O-N 2.83Å; G789-Y792 PolarHBondContact O-N 2.88Å; N790-Y792 VanDerWaalsContact C-N 3.32Å; N790-Y792 PolarHBondContact O-N 3.41Å; Y792-F795 AromaticContact CD2-CD1 3.88Å; Y792-F795 HydrophobicContact CD2-CD1 3.88Å; Y792-F795 HydrophobicContact CD2-CE1 4.47Å; Y792-F795 AromaticContact CE2-CD1 3.66Å; Y792-F795 HydrophobicContact CE2-CD1 3.66Å; Y792-F795 AromaticContact CE2-CE1 3.82Å; Y792-F795 HydrophobicContact CE2-CE1 3.82Å; Y792-F795 WeakPolarHBondContact O-CB 3.45Å; Y792-F795 PolarHBondContact O-N 3.01Å; Y792-F796 HydrophobicContact CE1-CB 4.2Å; Y792-F796 VanDerWaalsContact O-CB 3.25Å; Y792-F796 WeakPolarHBondContact O-CB 3.17Å; Y792-F796 PolarHBondContact O-N 3.3Å; Y792-Q824 PolarHBondContact OH-NE2 3.48Å; Y792-Q824 PolarHBondContact OH-OE1 3.29Å; Y792-I851 HydrophobicContact CD1-CB 4.4Å; Y792-I851 HydrophobicContact CD1-CD1 4.04Å; Y792-I851 HydrophobicContact CD1-CG1 3.83Å; Y792-I851 HydrophobicContact CD1-CG2 3.75Å; Y792-I851 HydrophobicContact CE1-CG2 3.91Å; Y792-I851 HydrophobicContact CG-CD1 4.13Å; Y792-I851 HydrophobicContact CG-CG1 4.29Å; Y792-V855 HydrophobicContact CE1-CG2 4.17Å
793V90.6Very high80.3Confident19 Ų1943.4 Ų43.412%0.11525%0.245CC..Hα-helixtrans-64.4-40.5177.3172.20000111.3G789 N790 F796 H797 T850 I851 K854G789-V793 WeakPolarHBondContact O-CG2 3.26Å; G789-V793 PolarHBondContact O-N 2.92Å; N790-V793 PolarHBondContact O-N 3.25Å; V793-F796 PolarHBondContact O-N 2.87Å; V793-H797 WeakPolarHBondContact O-CB 3.48Å; V793-H797 PolarHBondContact O-N 3.16Å; V793-T850 HydrophobicContact CG2-CG2 4.17Å; V793-I851 HydrophobicContact CG2-CG1 4.49Å; V793-K854 HydrophobicContact CB-CB 4.4Å; V793-K854 HydrophobicContact CG1-CB 3.75Å; V793-K854 HydrophobicContact CG1-CD 4.41Å; V793-K854 HydrophobicContact CG1-CG 4.04Å; V793-K854 HydrophobicContact CG2-CB 3.66Å; V793-K854 HydrophobicContact CG2-CG 4.2Å
794T90.1Very high82.9Confident100 Ų10041.2 Ų41.261%0.61323%0.232SC*.Hα-helixtrans-62.9-43.3174.1-53.30000112N790 G798N790-T794 PolarHBondContact O-N 2.9Å; N790-T794 PolarHBondContact O-OG1 3.45Å; N790-T794 VanDerWaalsContact O-OG1 3.05Å; T794-G798 PolarHBondContact O-N 2.81Å; T794-G798 VanDerWaalsContact O-N 3.13Å
795F92.6Very high85.1Confident2 Ų243.3 Ų43.31%0.00923%0.23CC..Hα-helixtrans-57-49.3172.4157.7-104.7000112.1Y668 M669 L723 V726 S791 Y792 C799 W820Y668-F795 HydrophobicContact CD1-CE2 4.17Å; Y668-F795 WeakPolarHBondContact O-CD2 3.33Å; Y668-F795 WeakPolarHBondContact O-CE2 3.31Å; M669-F795 HydrophobicContact CE-CD2 3.94Å; M669-F795 WeakPolarHBondContact CE-O 3.38Å; L723-F795 HydrophobicContact CD2-CE2 4.2Å; L723-F795 HydrophobicContact CD2-CZ 3.69Å; V726-F795 HydrophobicContact CB-CD1 4.27Å; V726-F795 HydrophobicContact CB-CE1 3.62Å; V726-F795 HydrophobicContact CB-CE2 4.43Å; V726-F795 HydrophobicContact CB-CZ 3.71Å; V726-F795 HydrophobicContact CG1-CD1 3.66Å; V726-F795 HydrophobicContact CG1-CD2 4.39Å; V726-F795 HydrophobicContact CG1-CE1 3.55Å; V726-F795 HydrophobicContact CG1-CE2 4.29Å; V726-F795 HydrophobicContact CG1-CG 4.08Å; V726-F795 HydrophobicContact CG1-CZ 3.88Å; V726-F795 HydrophobicContact CG2-CE1 4.07Å; V726-F795 HydrophobicContact CG2-CE2 4.02Å; V726-F795 HydrophobicContact CG2-CZ 3.6Å; S791-F795 WeakPolarHBondContact O-CB 3.43Å; S791-F795 PolarHBondContact O-N 2.97Å; S791-F795 VanDerWaalsContact O-N 3.09Å; Y792-F795 AromaticContact CD2-CD1 3.88Å; Y792-F795 HydrophobicContact CD2-CD1 3.88Å; Y792-F795 HydrophobicContact CD2-CE1 4.47Å; Y792-F795 AromaticContact CE2-CD1 3.66Å; Y792-F795 HydrophobicContact CE2-CD1 3.66Å; Y792-F795 AromaticContact CE2-CE1 3.82Å; Y792-F795 HydrophobicContact CE2-CE1 3.82Å; Y792-F795 WeakPolarHBondContact O-CB 3.45Å; Y792-F795 PolarHBondContact O-N 3.01Å; F795-C799 WeakPolarHBondContact CE2-SG 3.24Å; F795-C799 PolarHBondContact O-N 3.49Å; F795-C799 PolarHBondContact O-SG 3.26Å; F795-W820 HydrophobicContact CE1-CZ2 4.31Å
796F92Very high87.1Confident0 Ų043.6 Ų43.60%023%0.231CC..Hα-helixtrans-62.5-50.3-176.1173.4-95.5000111.2Y792 V793 G798 C799 T800 W820 Q824 V855 D858 F859Y792-F796 HydrophobicContact CE1-CB 4.2Å; Y792-F796 VanDerWaalsContact O-CB 3.25Å; Y792-F796 WeakPolarHBondContact O-CB 3.17Å; Y792-F796 PolarHBondContact O-N 3.3Å; V793-F796 PolarHBondContact O-N 2.87Å; F796-G798 PolarHBondContact O-N 3.48Å; F796-C799 PolarHBondContact O-N 2.78Å; F796-T800 HydrophobicContact CD2-CG2 4.5Å; F796-T800 HydrophobicContact CE1-CG2 3.95Å; F796-T800 HydrophobicContact CE2-CG2 3.83Å; F796-T800 HydrophobicContact CZ-CG2 3.51Å; F796-T800 PolarHBondContact O-N 2.97Å; F796-T800 PolarHBondContact O-OG1 3.12Å; F796-W820 AromaticContact CD2-CH2 3.39Å; F796-W820 HydrophobicContact CD2-CH2 3.39Å; F796-W820 AromaticContact CD2-CZ2 3.49Å; F796-W820 HydrophobicContact CD2-CZ2 3.49Å; F796-W820 VanDerWaalsContact CD2-CZ2 3.49Å; F796-W820 HydrophobicContact CD2-CZ3 4.05Å; F796-W820 HydrophobicContact CE2-CD2 4.29Å; F796-W820 HydrophobicContact CE2-CE3 4.08Å; F796-W820 AromaticContact CE2-CH2 3.57Å; F796-W820 HydrophobicContact CE2-CH2 3.57Å; F796-W820 AromaticContact CE2-CZ2 3.81Å; F796-W820 HydrophobicContact CE2-CZ2 3.81Å; F796-W820 AromaticContact CE2-CZ3 3.73Å; F796-W820 HydrophobicContact CE2-CZ3 3.73Å; F796-W820 HydrophobicContact CG-CH2 4.39Å; F796-Q824 VanDerWaalsContact CE2-NE2 3.31Å; F796-V855 HydrophobicContact CD1-CG2 4.05Å; F796-V855 HydrophobicContact CD2-CG2 4.26Å; F796-V855 HydrophobicContact CE1-CG1 4.45Å; F796-V855 HydrophobicContact CE1-CG2 4.27Å; F796-V855 HydrophobicContact CE2-CG1 4.24Å; F796-V855 HydrophobicContact CE2-CG2 4.49Å; F796-V855 HydrophobicContact CG-CG2 4.06Å; F796-V855 HydrophobicContact CZ-CG1 4.08Å; F796-V855 HydrophobicContact CZ-CG2 4.49Å; F796-D858 HydrophobicContact CD1-CB 4.39Å; F796-D858 HydrophobicContact CE1-CB 3.67Å; F796-F859 HydrophobicContact CE1-CD2 4.45Å; F796-F859 HydrophobicContact CE1-CE2 4.47Å; F796-F859 HydrophobicContact CE2-CD2 4.16Å; F796-F859 HydrophobicContact CE2-CE1 4.15Å; F796-F859 AromaticContact CE2-CE2 3.4Å; F796-F859 HydrophobicContact CE2-CE2 3.4Å; F796-F859 AromaticContact CE2-CZ 3.41Å; F796-F859 HydrophobicContact CE2-CZ 3.41Å; F796-F859 VanDerWaalsContact CE2-CZ 3.41Å; F796-F859 HydrophobicContact CZ-CD1 4.08Å; F796-F859 AromaticContact CZ-CD2 3.53Å; F796-F859 HydrophobicContact CZ-CD2 3.53Å; F796-F859 AromaticContact CZ-CE1 3.8Å; F796-F859 HydrophobicContact CZ-CE1 3.8Å; F796-F859 AromaticContact CZ-CE2 3.25Å; F796-F859 HydrophobicContact CZ-CE2 3.25Å; F796-F859 AromaticContact CZ-CG 3.98Å; F796-F859 HydrophobicContact CZ-CG 3.98Å; F796-F859 AromaticContact CZ-CZ 3.42Å; F796-F859 HydrophobicContact CZ-CZ 3.42Å; F796-F859 VanDerWaalsContact CZ-CZ 3.42Å
797H89.9Confident88.6Confident85 Ų8543.5 Ų43.539%0.39423%0.227SC..Hα-helixtrans-60-46.5179.6-16582.1000112.3V793 C799 T800 E801 D858V793-H797 WeakPolarHBondContact O-CB 3.48Å; V793-H797 PolarHBondContact O-N 3.16Å; H797-C799 VanDerWaalsContact C-N 3.26Å; H797-C799 PolarHBondContact O-N 3.38Å; H797-T800 PolarHBondContact O-N 2.99Å; H797-T800 PolarHBondContact O-OG1 3.27Å; H797-T800 VanDerWaalsContact O-OG1 3.08Å; H797-E801 WeakPolarHBondContact O-CB 3.49Å; H797-E801 PolarHBondContact O-N 3.35Å; H797-D858 IonicContact CE1-OD2 3.76Å; H797-D858 IonicContact CG-OD2 3.88Å; H797-D858 IonicContact ND1-OD2 2.72Å; H797-D858 PolarHBondContact ND1-OD2 3.29Å
798G88.4Confident89.2Confident24 Ų2442.2 Ų42.225%0.24722%0.223CC..Hα-helixtrans-63.5-30.8178.500000113.5T794 F796 L802T794-G798 PolarHBondContact O-N 2.81Å; T794-G798 VanDerWaalsContact O-N 3.13Å; F796-G798 PolarHBondContact O-N 3.48Å; G798-L802 VanDerWaalsContact O-CB 3.31Å; G798-L802 WeakPolarHBondContact O-CB 3.35Å; G798-L802 PolarHBondContact O-N 2.79Å
799C90.5Very high89.5Confident1 Ų144 Ų441%0.00723%0.232CC..Hα-helixtrans-77.2-41.8175.2-65.50000112.7L723 F795 F796 H797 L803 W820L723-C799 HydrophobicContact CD2-CB 4.17Å; F795-C799 WeakPolarHBondContact CE2-SG 3.24Å; F795-C799 PolarHBondContact O-N 3.49Å; F795-C799 PolarHBondContact O-SG 3.26Å; F796-C799 PolarHBondContact O-N 2.78Å; H797-C799 VanDerWaalsContact C-N 3.26Å; H797-C799 PolarHBondContact O-N 3.38Å; C799-L803 WeakPolarHBondContact O-CB 3.48Å; C799-L803 WeakPolarHBondContact O-CD1 3.39Å; C799-L803 VanDerWaalsContact O-CG 3.24Å; C799-L803 WeakPolarHBondContact O-CG 3.45Å; C799-L803 PolarHBondContact O-N 3.08Å; C799-W820 HydrophobicContact CB-CH2 3.93Å; C799-W820 HydrophobicContact CB-CZ3 4.39Å
800T90.3Very high89.8Confident1 Ų149.1 Ų49.11%0.00626%0.257CS..Hα-helixtrans-68-42.6178.349.70000112F796 H797 L803 R804 F817 W820 F859F796-T800 HydrophobicContact CD2-CG2 4.5Å; F796-T800 HydrophobicContact CE1-CG2 3.95Å; F796-T800 HydrophobicContact CE2-CG2 3.83Å; F796-T800 HydrophobicContact CZ-CG2 3.51Å; F796-T800 PolarHBondContact O-N 2.97Å; F796-T800 PolarHBondContact O-OG1 3.12Å; H797-T800 PolarHBondContact O-N 2.99Å; H797-T800 PolarHBondContact O-OG1 3.27Å; H797-T800 VanDerWaalsContact O-OG1 3.08Å; T800-L803 PolarHBondContact O-N 3.21Å; T800-R804 WeakPolarHBondContact O-CB 3.05Å; T800-R804 PolarHBondContact O-N 3.09Å; T800-F817 HydrophobicContact CG2-CE1 4.11Å; T800-F817 HydrophobicContact CG2-CZ 4.19Å; T800-F817 WeakPolarHBondContact O-CZ 3.14Å; T800-W820 HydrophobicContact CG2-CE3 4.31Å; T800-W820 HydrophobicContact CG2-CH2 4.22Å; T800-W820 HydrophobicContact CG2-CZ3 3.53Å; T800-F859 HydrophobicContact CG2-CE1 4.1Å
801E89.8Confident89.9Confident106 Ų10651.6 Ų51.650%0.49527%0.268SS..Hα-helixtrans-60.6-47.4176.4-171.6172.9-161.700111.3H797 R804 Q805H797-E801 WeakPolarHBondContact O-CB 3.49Å; H797-E801 PolarHBondContact O-N 3.35Å; E801-R804 PolarHBondContact O-N 3.5Å; E801-Q805 WeakPolarHBondContact O-CB 3.39Å; E801-Q805 PolarHBondContact O-N 2.84Å
802L89.9Confident90.2Very high34 Ų3450.4 Ų50.418%0.17826%0.256CS..Hα-helixtrans-64.2-44.9178.7-177.172.4000113.1L670 G798 R804 Q805 V806L670-L802 HydrophobicContact CB-CD2 4.22Å; L670-L802 WeakPolarHBondContact O-CD2 3.47Å; G798-L802 VanDerWaalsContact O-CB 3.31Å; G798-L802 WeakPolarHBondContact O-CB 3.35Å; G798-L802 PolarHBondContact O-N 2.79Å; L802-R804 VanDerWaalsContact C-N 3.32Å; L802-R804 PolarHBondContact O-N 3.19Å; L802-Q805 PolarHBondContact O-N 2.93Å; L802-V806 HydrophobicContact CD1-CG2 3.67Å; L802-V806 HydrophobicContact CG-CG2 4.37Å; L802-V806 WeakPolarHBondContact O-CB 3.44Å; L802-V806 WeakPolarHBondContact O-CG2 3.21Å; L802-V806 PolarHBondContact O-N 3.43Å
803L91.4Very high90.3Very high0 Ų050.5 Ų50.50%026%0.256CS..Hα-helixtrans-59.9-44.3178.6-78.8166.8000110.7L670 L723 C799 T800 I807 L816 F817L670-L803 HydrophobicContact CD2-CD1 4.2Å; L670-L803 HydrophobicContact CD2-CD2 3.43Å; L670-L803 VanDerWaalsContact CD2-CD2 3.43Å; L670-L803 HydrophobicContact CD2-CG 3.7Å; L723-L803 HydrophobicContact CD1-CD1 4.19Å; C799-L803 WeakPolarHBondContact O-CB 3.48Å; C799-L803 WeakPolarHBondContact O-CD1 3.39Å; C799-L803 VanDerWaalsContact O-CG 3.24Å; C799-L803 WeakPolarHBondContact O-CG 3.45Å; C799-L803 PolarHBondContact O-N 3.08Å; T800-L803 PolarHBondContact O-N 3.21Å; L803-I807 HydrophobicContact CD2-CD1 3.52Å; L803-I807 WeakPolarHBondContact O-CB 3.17Å; L803-I807 PolarHBondContact O-N 3.05Å; L803-L816 HydrophobicContact CD1-CD2 3.95Å; L803-L816 HydrophobicContact CD2-CD2 4.09Å; L803-F817 HydrophobicContact CB-CE1 3.81Å; L803-F817 HydrophobicContact CB-CZ 3.96Å; L803-F817 HydrophobicContact CD1-CE1 3.82Å; L803-F817 HydrophobicContact CG-CE1 4.46Å
804R90.5Very high90.3Very high72 Ų7252.1 Ų52.127%0.27226%0.264SS..Hα-helixtrans-72.5-33.6179-169.862.6-178.3-121.313.8113.4T800 E801 L802 E810 N814 F817 Q862T800-R804 WeakPolarHBondContact O-CB 3.05Å; T800-R804 PolarHBondContact O-N 3.09Å; E801-R804 PolarHBondContact O-N 3.5Å; L802-R804 VanDerWaalsContact C-N 3.32Å; L802-R804 PolarHBondContact O-N 3.19Å; R804-E810 IonicContact CZ-OE1 3.27Å; R804-E810 IonicContact NE-OE1 3.3Å; R804-E810 PolarHBondContact NE-OE1 2.79Å; R804-E810 IonicContact NH2-OE1 2.77Å; R804-E810 PolarHBondContact NH2-OE1 2.67Å; R804-E810 IonicContact NH2-OE2 2.97Å; R804-N814 PolarHBondContact NH1-OD1 3.39Å; R804-N814 VanDerWaalsContact NH1-OD1 3.09Å; R804-F817 HydrophobicContact CB-CE2 4.4Å; R804-F817 HydrophobicContact CB-CZ 4.35Å; R804-Q862 PolarHBondContact NH1-O 3.41Å
805Q89.1Confident90.3Very high151 Ų15148 Ų4871%0.70624%0.243SC*.Hα-helixtrans-77.1-33.5-177.4-172.8179.228.700113.2E801 L802E801-Q805 WeakPolarHBondContact O-CB 3.39Å; E801-Q805 PolarHBondContact O-N 2.84Å; L802-Q805 PolarHBondContact O-N 2.93Å
806V89.1Confident90.3Very high31 Ų3148 Ų4819%0.18824%0.242CC..Hα-helixtrans-103.2-32.8-169.9-175.30000113.2C675 V676 N679 L802C675-V806 HydrophobicContact CB-CB 3.68Å; C675-V806 HydrophobicContact CB-CG1 3.42Å; C675-V806 VanDerWaalsContact CB-CG1 3.42Å; V676-V806 HydrophobicContact CG2-CG1 4.28Å; N679-V806 PolarHBondContact ND2-O 2.94Å; L802-V806 HydrophobicContact CD1-CG2 3.67Å; L802-V806 HydrophobicContact CG-CG2 4.37Å; L802-V806 WeakPolarHBondContact O-CB 3.44Å; L802-V806 WeakPolarHBondContact O-CG2 3.21Å; L802-V806 PolarHBondContact O-N 3.43Å
807I90.6Very high90.3Very high10 Ų1048 Ų485%0.05124%0.242CC..  trans-82.6133.1-175.7-60-180000110.8C675 I678 N679 F682 L803 W812 V813C675-I807 HydrophobicContact CB-CD1 4.32Å; C675-I807 HydrophobicContact CB-CG1 3.77Å; I678-I807 HydrophobicContact CB-CD1 4.44Å; I678-I807 HydrophobicContact CD1-CD1 3.71Å; I678-I807 HydrophobicContact CG2-CD1 4.21Å; I678-I807 HydrophobicContact CG2-CG2 4.2Å; N679-I807 WeakPolarHBondContact OD1-CA 3.34Å; F682-I807 HydrophobicContact CE2-CG2 4.16Å; L803-I807 HydrophobicContact CD2-CD1 3.52Å; L803-I807 WeakPolarHBondContact O-CB 3.17Å; L803-I807 PolarHBondContact O-N 3.05Å; I807-W812 HydrophobicContact CD1-CE3 4.26Å; I807-W812 HydrophobicContact CD1-CH2 4.37Å; I807-W812 HydrophobicContact CD1-CZ3 3.55Å; I807-W812 HydrophobicContact CG2-CE3 4.2Å; I807-W812 HydrophobicContact CG2-CZ3 4.48Å; I807-V813 HydrophobicContact CB-CG2 3.66Å; I807-V813 HydrophobicContact CD1-CG2 4.38Å; I807-V813 HydrophobicContact CG2-CG2 3.66Å
808I87.8Confident90.4Very high93 Ų9346 Ų4648%0.47723%0.233SC..SBendtrans-78.3-35-172.1-61.7162.8000112.3E599 N679 E810E599-I808 HydrophobicContact CB-CD1 4.12Å; E599-I808 HydrophobicContact CG-CD1 4.46Å; N679-I808 HydrophobicContact CB-CD1 3.88Å; N679-I808 HydrophobicContact CB-CG1 4.49Å; N679-I808 PolarHBondContact OD1-N 2.93Å; I808-E810 PolarHBondContact O-N 3.49Å
809D89.8Confident90.5Very high54 Ų5448.7 Ų48.729%0.28924%0.239SC..  trans-86.297-178.3-166.1-56.2000111.1F682 I811 W812 V813F682-D809 HydrophobicContact CD1-CB 3.98Å; F682-D809 HydrophobicContact CD2-CB 3.99Å; F682-D809 HydrophobicContact CE1-CB 3.71Å; F682-D809 HydrophobicContact CE2-CB 3.7Å; F682-D809 HydrophobicContact CG-CB 4.14Å; F682-D809 HydrophobicContact CZ-CB 3.58Å; D809-I811 VanDerWaalsContact C-N 3.26Å; D809-I811 PolarHBondContact O-N 3.13Å; D809-I811 WeakPolarHBondContact OD1-CB 3.25Å; D809-I811 PolarHBondContact OD1-N 2.85Å; D809-I811 VanDerWaalsContact OD1-N 3.07Å; D809-W812 HydrophobicContact CB-CB 4.11Å; D809-W812 PolarHBondContact O-N 2.99Å; D809-W812 WeakPolarHBondContact OD1-CB 3.48Å; D809-W812 PolarHBondContact OD1-N 3.07Å; D809-V813 WeakPolarHBondContact O-CG2 3.39Å; D809-V813 PolarHBondContact O-N 3.11Å; D809-V813 VanDerWaalsContact O-N 3.11Å
810E88.1Confident90.5Very high109 Ų10948.7 Ų48.751%0.50924%0.239SC..Hα-helixtrans-64.3-28.4179.7-62.2-156.4120.700113.4R804 I808 V813 N814R804-E810 IonicContact CZ-OE1 3.27Å; R804-E810 IonicContact NE-OE1 3.3Å; R804-E810 PolarHBondContact NE-OE1 2.79Å; R804-E810 IonicContact NH2-OE1 2.77Å; R804-E810 PolarHBondContact NH2-OE1 2.67Å; R804-E810 IonicContact NH2-OE2 2.97Å; I808-E810 PolarHBondContact O-N 3.49Å; E810-V813 PolarHBondContact O-N 2.8Å; E810-N814 WeakPolarHBondContact O-CB 3.27Å; E810-N814 PolarHBondContact O-N 2.99Å; E810-N814 PolarHBondContact O-ND2 2.82Å
811I90.3Very high90.6Very high141 Ų14148.7 Ų48.772%0.72324%0.239SC*.Hα-helixtrans-69.4-44-179-59.4175.9000109.2D809 N814 G815D809-I811 VanDerWaalsContact C-N 3.26Å; D809-I811 PolarHBondContact O-N 3.13Å; D809-I811 WeakPolarHBondContact OD1-CB 3.25Å; D809-I811 PolarHBondContact OD1-N 2.85Å; D809-I811 VanDerWaalsContact OD1-N 3.07Å; I811-N814 PolarHBondContact O-N 2.83Å; I811-G815 PolarHBondContact O-N 3.4Å
812W92.8Very high90.7Very high26 Ų2646 Ų4610%0.09823%0.228CC..Hα-helixtrans-65.5-40.8174.6-174.989.6000112.4I678 F682 E716 I719 I807 D809 N814 G815 L816I678-W812 HydrophobicContact CD1-CH2 3.88Å; I678-W812 HydrophobicContact CD1-CZ3 4.32Å; I678-W812 HydrophobicContact CG2-CH2 4.22Å; I678-W812 HydrophobicContact CG2-CZ3 4.25Å; F682-W812 HydrophobicContact CE1-CB 4.4Å; F682-W812 HydrophobicContact CE2-CB 4.37Å; F682-W812 HydrophobicContact CE2-CD2 4.24Å; F682-W812 HydrophobicContact CE2-CE3 4.49Å; F682-W812 HydrophobicContact CE2-CG 4.22Å; F682-W812 HydrophobicContact CZ-CB 3.61Å; F682-W812 AromaticContact CZ-CD1 3.87Å; F682-W812 AromaticContact CZ-CD2 3.98Å; F682-W812 HydrophobicContact CZ-CD2 3.98Å; F682-W812 AromaticContact CZ-CG 3.52Å; F682-W812 HydrophobicContact CZ-CG 3.52Å; E716-W812 HydrophobicContact CB-CZ2 3.55Å; E716-W812 HydrophobicContact CG-CZ2 3.89Å; E716-W812 PolarHBondContact OE2-NE1 2.9Å; I719-W812 HydrophobicContact CD1-CH2 3.92Å; I807-W812 HydrophobicContact CD1-CE3 4.26Å; I807-W812 HydrophobicContact CD1-CH2 4.37Å; I807-W812 HydrophobicContact CD1-CZ3 3.55Å; I807-W812 HydrophobicContact CG2-CE3 4.2Å; I807-W812 HydrophobicContact CG2-CZ3 4.48Å; D809-W812 HydrophobicContact CB-CB 4.11Å; D809-W812 PolarHBondContact O-N 2.99Å; D809-W812 WeakPolarHBondContact OD1-CB 3.48Å; D809-W812 PolarHBondContact OD1-N 3.07Å; W812-N814 PolarHBondContact O-N 2.97Å; W812-G815 PolarHBondContact O-N 3.35Å; W812-L816 HydrophobicContact CH2-CD2 3.81Å; W812-L816 HydrophobicContact CZ3-CB 4.47Å; W812-L816 HydrophobicContact CZ3-CD2 3.7Å; W812-L816 WeakPolarHBondContact O-CB 3.23Å; W812-L816 PolarHBondContact O-N 3.02Å
813V92.1Very high90.7Very high1 Ų147.3 Ų47.31%0.00624%0.235CC..Hα-helixtrans-61.7-44174.8172.90000111.1I807 D809 E810 L816 F817I807-V813 HydrophobicContact CB-CG2 3.66Å; I807-V813 HydrophobicContact CD1-CG2 4.38Å; I807-V813 HydrophobicContact CG2-CG2 3.66Å; D809-V813 WeakPolarHBondContact O-CG2 3.39Å; D809-V813 PolarHBondContact O-N 3.11Å; D809-V813 VanDerWaalsContact O-N 3.11Å; E810-V813 PolarHBondContact O-N 2.8Å; V813-L816 PolarHBondContact O-N 2.81Å; V813-F817 HydrophobicContact CG1-CD1 4.37Å; V813-F817 HydrophobicContact CG1-CD2 4.01Å; V813-F817 HydrophobicContact CG1-CE1 3.99Å; V813-F817 HydrophobicContact CG1-CE2 3.59Å; V813-F817 HydrophobicContact CG1-CG 4.38Å; V813-F817 HydrophobicContact CG1-CZ 3.57Å; V813-F817 WeakPolarHBondContact O-CB 3.49Å; V813-F817 VanDerWaalsContact O-CG 3.25Å; V813-F817 WeakPolarHBondContact O-CG 3.34Å; V813-F817 PolarHBondContact O-N 2.99Å
814N90.6Very high90.7Very high53 Ų5347.3 Ų47.328%0.28324%0.235SC..Hα-helixtrans-60.8-47.2175.6-69.4-20.9000111R804 E810 I811 W812 L816 F817 E818R804-N814 PolarHBondContact NH1-OD1 3.39Å; R804-N814 VanDerWaalsContact NH1-OD1 3.09Å; E810-N814 WeakPolarHBondContact O-CB 3.27Å; E810-N814 PolarHBondContact O-N 2.99Å; E810-N814 PolarHBondContact O-ND2 2.82Å; I811-N814 PolarHBondContact O-N 2.83Å; W812-N814 PolarHBondContact O-N 2.97Å; N814-L816 PolarHBondContact O-N 3.17Å; N814-F817 WeakPolarHBondContact O-CB 3.36Å; N814-F817 PolarHBondContact O-N 3.3Å; N814-F817 VanDerWaalsContact O-N 3.16Å; N814-E818 WeakPolarHBondContact O-CG 3.39Å; N814-E818 PolarHBondContact O-N 2.78Å
815G90.5Very high90.8Very high15 Ų1544 Ų4416%0.15522%0.223CC..Hα-helixtrans-57.7-47.9176.200000113I811 W812 F817 E818 H819I811-G815 PolarHBondContact O-N 3.4Å; W812-G815 PolarHBondContact O-N 3.35Å; G815-F817 VanDerWaalsContact C-N 3.3Å; G815-F817 PolarHBondContact O-N 3.42Å; G815-E818 PolarHBondContact O-N 2.9Å; G815-H819 WeakPolarHBondContact O-CB 3.39Å; G815-H819 VanDerWaalsContact O-CG 3.26Å; G815-H819 PolarHBondContact O-N 3.4Å; G815-H819 PolarHBondContact O-ND1 3.49Å
816L92.2Very high90.9Very high0 Ų042 Ų420%021%0.212CC..Hα-helixtrans-57.4-42.9174.7174.364.1000111.6E716 I719 Q720 L803 W812 V813 N814 W820E716-L816 HydrophobicContact CG-CB 4.15Å; E716-L816 HydrophobicContact CG-CD1 3.84Å; I719-L816 HydrophobicContact CG2-CD1 4.29Å; I719-L816 HydrophobicContact CG2-CD2 4.09Å; Q720-L816 HydrophobicContact CB-CD1 4.17Å; L803-L816 HydrophobicContact CD1-CD2 3.95Å; L803-L816 HydrophobicContact CD2-CD2 4.09Å; W812-L816 HydrophobicContact CH2-CD2 3.81Å; W812-L816 HydrophobicContact CZ3-CB 4.47Å; W812-L816 HydrophobicContact CZ3-CD2 3.7Å; W812-L816 WeakPolarHBondContact O-CB 3.23Å; W812-L816 PolarHBondContact O-N 3.02Å; V813-L816 PolarHBondContact O-N 2.81Å; N814-L816 PolarHBondContact O-N 3.17Å; L816-W820 WeakPolarHBondContact O-CB 3.39Å; L816-W820 PolarHBondContact O-N 2.9Å
817F93.3Very high91.1Very high0 Ų041.5 Ų41.50%021%0.21CC..Hα-helixtrans-66.9-42.7179.5-75.2-3.6000112.6T800 L803 R804 V813 N814 G815 W820 Y821 F859 Q862 I864T800-F817 HydrophobicContact CG2-CE1 4.11Å; T800-F817 HydrophobicContact CG2-CZ 4.19Å; T800-F817 WeakPolarHBondContact O-CZ 3.14Å; L803-F817 HydrophobicContact CB-CE1 3.81Å; L803-F817 HydrophobicContact CB-CZ 3.96Å; L803-F817 HydrophobicContact CD1-CE1 3.82Å; L803-F817 HydrophobicContact CG-CE1 4.46Å; R804-F817 HydrophobicContact CB-CE2 4.4Å; R804-F817 HydrophobicContact CB-CZ 4.35Å; V813-F817 HydrophobicContact CG1-CD1 4.37Å; V813-F817 HydrophobicContact CG1-CD2 4.01Å; V813-F817 HydrophobicContact CG1-CE1 3.99Å; V813-F817 HydrophobicContact CG1-CE2 3.59Å; V813-F817 HydrophobicContact CG1-CG 4.38Å; V813-F817 HydrophobicContact CG1-CZ 3.57Å; V813-F817 WeakPolarHBondContact O-CB 3.49Å; V813-F817 VanDerWaalsContact O-CG 3.25Å; V813-F817 WeakPolarHBondContact O-CG 3.34Å; V813-F817 PolarHBondContact O-N 2.99Å; N814-F817 WeakPolarHBondContact O-CB 3.36Å; N814-F817 PolarHBondContact O-N 3.3Å; N814-F817 VanDerWaalsContact O-N 3.16Å; G815-F817 VanDerWaalsContact C-N 3.3Å; G815-F817 PolarHBondContact O-N 3.42Å; F817-W820 HydrophobicContact CD1-CE3 4.42Å; F817-W820 PolarHBondContact O-N 3.21Å; F817-Y821 WeakPolarHBondContact O-CB 3.21Å; F817-Y821 PolarHBondContact O-N 3.44Å; F817-F859 HydrophobicContact CB-CD1 4.09Å; F817-F859 HydrophobicContact CB-CE1 3.64Å; F817-F859 HydrophobicContact CD1-CE1 4.17Å; F817-F859 HydrophobicContact CD2-CD1 4.48Å; F817-F859 HydrophobicContact CD2-CE1 4.39Å; F817-F859 HydrophobicContact CG-CD1 4.33Å; F817-F859 AromaticContact CG-CE1 3.84Å; F817-F859 HydrophobicContact CG-CE1 3.84Å; F817-Q862 HydrophobicContact CD2-CB 4.06Å; F817-Q862 HydrophobicContact CD2-CG 4.4Å; F817-Q862 HydrophobicContact CE2-CB 4.03Å; F817-Q862 HydrophobicContact CE2-CG 3.98Å; F817-I864 HydrophobicContact CB-CD1 3.9Å
818E90.6Very high91.1Very high44 Ų4441 Ų4121%0.20621%0.207CC..Hα-helixtrans-59.4-52.2173.2-70.7-171.7124.900111.6N814 G815 W820 Y821 D822 I864 R868N814-E818 WeakPolarHBondContact O-CG 3.39Å; N814-E818 PolarHBondContact O-N 2.78Å; G815-E818 PolarHBondContact O-N 2.9Å; E818-W820 VanDerWaalsContact C-N 3.26Å; E818-W820 PolarHBondContact O-N 2.95Å; E818-Y821 PolarHBondContact O-N 3.32Å; E818-D822 PolarHBondContact O-N 2.89Å; E818-I864 HydrophobicContact CG-CD1 4.44Å; E818-I864 HydrophobicContact CG-CG2 4.15Å; E818-R868 WeakPolarHBondContact OE1-CD 3.44Å; E818-R868 IonicContact OE1-CZ 2.8Å; E818-R868 IonicContact OE1-NE 3.52Å; E818-R868 IonicContact OE1-NH1 2.66Å; E818-R868 PolarHBondContact OE1-NH1 3.45Å; E818-R868 IonicContact OE2-CZ 3.68Å; E818-R868 IonicContact OE2-NH1 2.69Å; E818-R868 PolarHBondContact OE2-NH1 2.91Å
819H90.6Very high91.3Very high81 Ų8138.3 Ų38.338%0.37519%0.194SC..Hα-helixtrans-61.6-33.4178.4-69.4140.8000112.4E716 Q720 G815 N823E716-H819 IonicContact OE1-CE1 2.82Å; E716-H819 IonicContact OE1-ND1 3.94Å; E716-H819 PolarHBondContact OE1-ND1 2.95Å; Q720-H819 PolarHBondContact NE2-O 3.47Å; G815-H819 WeakPolarHBondContact O-CB 3.39Å; G815-H819 VanDerWaalsContact O-CG 3.26Å; G815-H819 PolarHBondContact O-N 3.4Å; G815-H819 PolarHBondContact O-ND1 3.49Å; H819-N823 WeakPolarHBondContact O-CB 3.34Å; H819-N823 PolarHBondContact O-N 3.44Å
820W92.3Very high91.3Very high0 Ų040.2 Ų40.20%020%0.201CC..Hα-helixtrans-72.2-44.6174.8-173.620.8000111.7L723 F795 F796 C799 T800 L816 F817 E818 N823 Q824 F859L723-W820 HydrophobicContact CB-CD2 4.25Å; L723-W820 HydrophobicContact CB-CH2 4.45Å; L723-W820 HydrophobicContact CB-CZ2 3.74Å; L723-W820 HydrophobicContact CD1-CD2 4.02Å; L723-W820 HydrophobicContact CD1-CE3 3.9Å; L723-W820 HydrophobicContact CD1-CH2 3.92Å; L723-W820 HydrophobicContact CD1-CZ2 4.02Å; L723-W820 HydrophobicContact CD1-CZ3 3.84Å; L723-W820 HydrophobicContact CD2-CH2 4.35Å; L723-W820 HydrophobicContact CD2-CZ2 4.3Å; L723-W820 HydrophobicContact CG-CH2 4.49Å; L723-W820 HydrophobicContact CG-CZ2 4.24Å; F795-W820 HydrophobicContact CE1-CZ2 4.31Å; F796-W820 AromaticContact CD2-CH2 3.39Å; F796-W820 HydrophobicContact CD2-CH2 3.39Å; F796-W820 AromaticContact CD2-CZ2 3.49Å; F796-W820 HydrophobicContact CD2-CZ2 3.49Å; F796-W820 VanDerWaalsContact CD2-CZ2 3.49Å; F796-W820 HydrophobicContact CD2-CZ3 4.05Å; F796-W820 HydrophobicContact CE2-CD2 4.29Å; F796-W820 HydrophobicContact CE2-CE3 4.08Å; F796-W820 AromaticContact CE2-CH2 3.57Å; F796-W820 HydrophobicContact CE2-CH2 3.57Å; F796-W820 AromaticContact CE2-CZ2 3.81Å; F796-W820 HydrophobicContact CE2-CZ2 3.81Å; F796-W820 AromaticContact CE2-CZ3 3.73Å; F796-W820 HydrophobicContact CE2-CZ3 3.73Å; F796-W820 HydrophobicContact CG-CH2 4.39Å; C799-W820 HydrophobicContact CB-CH2 3.93Å; C799-W820 HydrophobicContact CB-CZ3 4.39Å; T800-W820 HydrophobicContact CG2-CE3 4.31Å; T800-W820 HydrophobicContact CG2-CH2 4.22Å; T800-W820 HydrophobicContact CG2-CZ3 3.53Å; L816-W820 WeakPolarHBondContact O-CB 3.39Å; L816-W820 PolarHBondContact O-N 2.9Å; F817-W820 HydrophobicContact CD1-CE3 4.42Å; F817-W820 PolarHBondContact O-N 3.21Å; E818-W820 VanDerWaalsContact C-N 3.26Å; E818-W820 PolarHBondContact O-N 2.95Å; W820-N823 PolarHBondContact O-N 2.87Å; W820-Q824 VanDerWaalsContact CE2-NE2 3.27Å; W820-Q824 VanDerWaalsContact NE1-NE2 3.12Å; W820-Q824 WeakPolarHBondContact O-CG 3.21Å; W820-Q824 PolarHBondContact O-N 2.94Å; W820-F859 HydrophobicContact CB-CZ 4.37Å; W820-F859 HydrophobicContact CD2-CZ 4.12Å; W820-F859 HydrophobicContact CE3-CE1 4.31Å; W820-F859 AromaticContact CE3-CZ 3.87Å; W820-F859 HydrophobicContact CE3-CZ 3.87Å; W820-F859 HydrophobicContact CG-CZ 4.36Å
821Y92.1Very high91.4Very high1 Ų135.8 Ų35.80%0.00418%0.18CC..Hα-helixtrans-59.7-50.6176.8179.9-104.3000112.3F817 E818 N823 Q824 M825 V855 Y856 F859 L869F817-Y821 WeakPolarHBondContact O-CB 3.21Å; F817-Y821 PolarHBondContact O-N 3.44Å; E818-Y821 PolarHBondContact O-N 3.32Å; Y821-N823 VanDerWaalsContact C-N 3.31Å; Y821-N823 PolarHBondContact O-N 2.93Å; Y821-Q824 PolarHBondContact O-N 2.91Å; Y821-Q824 VanDerWaalsContact O-N 3.13Å; Y821-M825 HydrophobicContact CD1-CG 4.4Å; Y821-M825 HydrophobicContact CD2-CE 4.13Å; Y821-M825 HydrophobicContact CD2-CG 4.21Å; Y821-M825 HydrophobicContact CE1-CG 3.93Å; Y821-M825 HydrophobicContact CE2-CE 3.32Å; Y821-M825 HydrophobicContact CE2-CG 3.79Å; Y821-M825 HydrophobicContact CE2-SD 4.39Å; Y821-M825 PolarHBondContact O-N 2.86Å; Y821-V855 HydrophobicContact CD2-CG1 4.13Å; Y821-V855 HydrophobicContact CE2-CG1 4.34Å; Y821-Y856 WeakPolarHBondContact OH-CD2 3.35Å; Y821-F859 AromaticContact CD2-CD2 3.38Å; Y821-F859 HydrophobicContact CD2-CD2 3.38Å; Y821-F859 AromaticContact CD2-CE2 3.71Å; Y821-F859 HydrophobicContact CD2-CE2 3.71Å; Y821-F859 HydrophobicContact CD2-CG 4.29Å; Y821-F859 HydrophobicContact CE2-CD2 4.24Å; Y821-F859 HydrophobicContact CG-CD2 4.07Å; Y821-F859 HydrophobicContact CG-CE2 4.19Å; Y821-L869 HydrophobicContact CD1-CD2 4.03Å; Y821-L869 HydrophobicContact CD2-CD2 4.06Å; Y821-L869 HydrophobicContact CE1-CD2 3.84Å; Y821-L869 HydrophobicContact CE2-CD2 3.82Å; Y821-L869 HydrophobicContact CG-CD2 4.12Å; Y821-L869 PolarHBondContact OH-O 2.76Å
822D90.5Very high91.3Very high51 Ų5129.4 Ų29.427%0.27315%0.147SC..Hα-helixtrans-58.6-43.9-178.4-74.8-28.6000110.9E818 K826 R868E818-D822 PolarHBondContact O-N 2.89Å; D822-K826 VanDerWaalsContact O-CB 3.26Å; D822-K826 WeakPolarHBondContact O-CB 3.36Å; D822-K826 PolarHBondContact O-N 3.36Å; D822-R868 IonicContact OD1-NE 3.12Å; D822-R868 IonicContact OD2-CZ 2.7Å; D822-R868 VanDerWaalsContact OD2-CZ 3.3Å; D822-R868 IonicContact OD2-NE 2.81Å; D822-R868 PolarHBondContact OD2-NE 2.9Å; D822-R868 IonicContact OD2-NH2 3.37Å; D822-R868 PolarHBondContact OD2-NH2 2.83Å
823N90.8Very high91Very high60 Ų6031.8 Ų31.832%0.32116%0.164SC..Hα-helixtrans-66.3-43174.9-83.20.8000112.7Q720 H724 H819 W820 Y821 M825 K826 S827Q720-N823 PolarHBondContact NE2-ND2 2.91Å; H724-N823 PolarHBondContact CE1-O 3.25Å; H819-N823 WeakPolarHBondContact O-CB 3.34Å; H819-N823 PolarHBondContact O-N 3.44Å; W820-N823 PolarHBondContact O-N 2.87Å; Y821-N823 VanDerWaalsContact C-N 3.31Å; Y821-N823 PolarHBondContact O-N 2.93Å; N823-M825 PolarHBondContact O-N 3.49Å; N823-K826 PolarHBondContact O-N 2.86Å; N823-S827 PolarHBondContact O-N 3.48Å; N823-S827 PolarHBondContact O-OG 2.83Å
824Q90.6Very high90.6Very high0 Ų038.6 Ų38.60%020%0.196CC..Hα-helixtrans-59-48.7177.2-76.2-164.35200111.7L727 Y792 F796 W820 Y821 S827 I828L727-Q824 HydrophobicContact CD2-CB 3.7Å; L727-Q824 HydrophobicContact CD2-CG 3.62Å; Y792-Q824 PolarHBondContact OH-NE2 3.48Å; Y792-Q824 PolarHBondContact OH-OE1 3.29Å; F796-Q824 VanDerWaalsContact CE2-NE2 3.31Å; W820-Q824 VanDerWaalsContact CE2-NE2 3.27Å; W820-Q824 VanDerWaalsContact NE1-NE2 3.12Å; W820-Q824 WeakPolarHBondContact O-CG 3.21Å; W820-Q824 PolarHBondContact O-N 2.94Å; Y821-Q824 PolarHBondContact O-N 2.91Å; Y821-Q824 VanDerWaalsContact O-N 3.13Å; Q824-S827 PolarHBondContact O-N 2.92Å; Q824-I828 VanDerWaalsContact O-CG1 3.32Å; Q824-I828 WeakPolarHBondContact O-CG1 3.28Å; Q824-I828 PolarHBondContact O-N 2.9Å
825M93.1Very high90.2Very high2 Ų237.2 Ų37.21%0.0119%0.187CC..Hα-helixtrans-66.6-38.3179.8-68.3-58.2166.100111.6Y821 N823 N829 V852 V855 T873 Y874 I877Y821-M825 HydrophobicContact CD1-CG 4.4Å; Y821-M825 HydrophobicContact CD2-CE 4.13Å; Y821-M825 HydrophobicContact CD2-CG 4.21Å; Y821-M825 HydrophobicContact CE1-CG 3.93Å; Y821-M825 HydrophobicContact CE2-CE 3.32Å; Y821-M825 HydrophobicContact CE2-CG 3.79Å; Y821-M825 HydrophobicContact CE2-SD 4.39Å; Y821-M825 PolarHBondContact O-N 2.86Å; N823-M825 PolarHBondContact O-N 3.49Å; M825-N829 WeakPolarHBondContact O-CB 3.32Å; M825-N829 PolarHBondContact O-N 3.46Å; M825-V852 HydrophobicContact CE-CG1 4.42Å; M825-V855 HydrophobicContact CE-CG1 4.18Å; M825-T873 HydrophobicContact CB-CG2 4.33Å; M825-Y874 HydrophobicContact CE-CD2 4.18Å; M825-Y874 HydrophobicContact SD-CD2 4.13Å; M825-I877 HydrophobicContact CB-CD1 4.18Å; M825-I877 WeakPolarHBondContact O-CD1 3.22Å; M825-I877 HydrophobicContact SD-CD1 3.79Å
826K92.2Very high89.6Confident109 Ų10941.9 Ų41.947%0.47421%0.208SC..Hα-helixtrans-57-54173.4-177.2-179.7169.8-172.90111.9D822 N823 I828 N829 E830D822-K826 VanDerWaalsContact O-CB 3.26Å; D822-K826 WeakPolarHBondContact O-CB 3.36Å; D822-K826 PolarHBondContact O-N 3.36Å; N823-K826 PolarHBondContact O-N 2.86Å; K826-I828 PolarHBondContact O-N 2.8Å; K826-N829 PolarHBondContact O-N 2.85Å; K826-N829 VanDerWaalsContact O-N 3.14Å; K826-E830 WeakPolarHBondContact CE-OE1 3.05Å; K826-E830 IonicContact NZ-OE1 3.93Å; K826-E830 WeakPolarHBondContact O-CG 3.09Å; K826-E830 PolarHBondContact O-N 2.81Å
827S91.5Very high88.8Confident22 Ų2251.3 Ų51.315%0.15425%0.252CS..Hα-helixtrans-68.7-31.2-176.5-58.40000113.4H724 N823 Q824 W831H724-S827 PolarHBondContact CE1-OG 3.01Å; H724-S827 PolarHBondContact NE2-OG 3.1Å; N823-S827 PolarHBondContact O-N 3.48Å; N823-S827 PolarHBondContact O-OG 2.83Å; Q824-S827 PolarHBondContact O-N 2.92Å; S827-W831 VanDerWaalsContact O-CB 3.26Å; S827-W831 WeakPolarHBondContact O-CB 3.33Å; S827-W831 PolarHBondContact O-N 3.36Å
828I91.3Very high87.9Confident0 Ų055 Ų550%027%0.269CS..Hα-helixtrans-66.3-43.1170.8-67.7166.6000110.6L727 L731 Q824 K826 W831 L832 I851 V852 I877L727-I828 HydrophobicContact CD1-CD1 4.47Å; L727-I828 HydrophobicContact CD2-CD1 4.11Å; L727-I828 HydrophobicContact CD2-CG1 4.09Å; L731-I828 HydrophobicContact CD1-CG1 4.44Å; L731-I828 HydrophobicContact CD2-CG1 4.46Å; Q824-I828 VanDerWaalsContact O-CG1 3.32Å; Q824-I828 WeakPolarHBondContact O-CG1 3.28Å; Q824-I828 PolarHBondContact O-N 2.9Å; K826-I828 PolarHBondContact O-N 2.8Å; I828-W831 PolarHBondContact O-N 3.08Å; I828-L832 HydrophobicContact CG2-CD1 4.03Å; I828-L832 WeakPolarHBondContact O-CB 3.49Å; I828-L832 WeakPolarHBondContact O-CG 3.29Å; I828-L832 PolarHBondContact O-N 3.2Å; I828-I851 HydrophobicContact CD1-CG2 4.26Å; I828-V852 HydrophobicContact CD1-CG2 4.01Å; I828-V852 HydrophobicContact CG2-CG2 4.09Å; I828-I877 HydrophobicContact CB-CD1 4.18Å; I828-I877 HydrophobicContact CG2-CD1 4Å; I828-I877 HydrophobicContact CG2-CG1 4.24Å; I828-I877 HydrophobicContact CG2-CG2 3.9Å
829N91.4Very high87.3Confident35 Ų3555 Ų5519%0.18727%0.274CS..Hα-helixtrans-65.7-40.9177.3-177.882.8000112.1M825 K826 L832 T833 T873 S876 I877M825-N829 WeakPolarHBondContact O-CB 3.32Å; M825-N829 PolarHBondContact O-N 3.46Å; K826-N829 PolarHBondContact O-N 2.85Å; K826-N829 VanDerWaalsContact O-N 3.14Å; N829-L832 PolarHBondContact O-N 2.8Å; N829-T833 WeakPolarHBondContact O-CB 3.27Å; N829-T833 PolarHBondContact O-N 3.39Å; N829-T833 PolarHBondContact O-OG1 2.88Å; N829-T873 HydrophobicContact CB-CG2 3.57Å; N829-S876 WeakPolarHBondContact OD1-CB 3.38Å; N829-S876 PolarHBondContact OD1-OG 2.9Å; N829-I877 HydrophobicContact CB-CD1 4Å; N829-I877 HydrophobicContact CB-CG1 3.79Å
830E90.4Very high86.8Confident94 Ų9451.7 Ų51.744%0.43926%0.259SS..Hα-helixtrans-61.9-49.8174.6-73173.4176.400110.9K826 L832 T833 E834K826-E830 WeakPolarHBondContact CE-OE1 3.05Å; K826-E830 IonicContact NZ-OE1 3.93Å; K826-E830 WeakPolarHBondContact O-CG 3.09Å; K826-E830 PolarHBondContact O-N 2.81Å; E830-L832 VanDerWaalsContact C-N 3.3Å; E830-L832 PolarHBondContact O-N 2.87Å; E830-T833 WeakPolarHBondContact O-CB 3.41Å; E830-T833 PolarHBondContact O-N 2.82Å; E830-E834 PolarHBondContact O-N 3.43Å
831W91.1Very high86.2Confident17 Ų1753 Ų536%0.06427%0.269CS..Hα-helixtrans-58.4-37.3177.2-173.194.2000113.6L731 L734 A735 S827 I828 R835 L840 Q844 L848L731-W831 HydrophobicContact CB-CG 4.3Å; L731-W831 HydrophobicContact CD1-CB 4.27Å; L731-W831 HydrophobicContact CD1-CG 4.45Å; L731-W831 HydrophobicContact CD2-CB 4.45Å; L731-W831 HydrophobicContact CD2-CD2 4.18Å; L731-W831 HydrophobicContact CD2-CG 4.05Å; L731-W831 PolarHBondContact O-NE1 3.13Å; L734-W831 HydrophobicContact CB-CZ2 4.09Å; A735-W831 HydrophobicContact CB-CZ2 4.43Å; S827-W831 VanDerWaalsContact O-CB 3.26Å; S827-W831 WeakPolarHBondContact O-CB 3.33Å; S827-W831 PolarHBondContact O-N 3.36Å; I828-W831 PolarHBondContact O-N 3.08Å; W831-R835 VanDerWaalsContact CZ2-NE 3.34Å; W831-R835 PolarHBondContact O-NH1 3.26Å; W831-L840 HydrophobicContact CH2-CD2 4.05Å; W831-L840 HydrophobicContact CZ3-CD2 3.84Å; W831-Q844 HydrophobicContact CH2-CB 4.47Å; W831-Q844 HydrophobicContact CH2-CG 4.4Å; W831-L848 HydrophobicContact CE3-CD1 3.87Å; W831-L848 HydrophobicContact CH2-CD1 4.02Å; W831-L848 HydrophobicContact CZ3-CD1 3.37Å
832L86.9Confident85.5Confident6 Ų655.8 Ų55.83%0.03129%0.292CS..Hα-helixtrans-73.5-33173.6-73.7171.9000112.7I828 N829 E830 R835 L836 L840 L848 I877 R880I828-L832 HydrophobicContact CG2-CD1 4.03Å; I828-L832 WeakPolarHBondContact O-CB 3.49Å; I828-L832 WeakPolarHBondContact O-CG 3.29Å; I828-L832 PolarHBondContact O-N 3.2Å; N829-L832 PolarHBondContact O-N 2.8Å; E830-L832 VanDerWaalsContact C-N 3.3Å; E830-L832 PolarHBondContact O-N 2.87Å; L832-R835 CarbonylContact O-C 3.47Å; L832-R835 PolarHBondContact O-N 2.86Å; L832-L836 PolarHBondContact O-N 3.29Å; L832-L840 HydrophobicContact CD2-CD1 3.88Å; L832-L840 HydrophobicContact CD2-CD2 4.45Å; L832-L848 HydrophobicContact CD2-CD1 4.24Å; L832-I877 HydrophobicContact CD1-CB 4.37Å; L832-I877 HydrophobicContact CD1-CG1 4.35Å; L832-I877 HydrophobicContact CD1-CG2 3.86Å; L832-R880 HydrophobicContact CD2-CG 4.37Å
833T86.3Confident84.9Confident76 Ų7654.4 Ų54.447%0.46629%0.285SS..Hα-helixtrans-71.1-37.1179.4-58.60000111.4N829 E830 R835 L836N829-T833 WeakPolarHBondContact O-CB 3.27Å; N829-T833 PolarHBondContact O-N 3.39Å; N829-T833 PolarHBondContact O-OG1 2.88Å; E830-T833 WeakPolarHBondContact O-CB 3.41Å; E830-T833 PolarHBondContact O-N 2.82Å; T833-R835 PolarHBondContact O-N 2.86Å; T833-L836 WeakPolarHBondContact O-CB 3.37Å; T833-L836 PolarHBondContact O-N 3.15Å
834E84.9Confident84.5Confident144 Ų14451.6 Ų51.667%0.67327%0.27SS*.Hα-helixtrans-56.1-29.8169.3-69.5-179.2160.600112.7E830E830-E834 PolarHBondContact O-N 3.43Å
835R82.6Confident84.2Confident24 Ų2452.7 Ų52.79%0.09127%0.274CS..THydrogen-bonded Turntrans-103.523.4-175.3-69.5163.5-175.366.515.1112.6D738 W831 L832 T833 Q837 Q838 R880D738-R835 VanDerWaalsContact CG-NE 3.34Å; D738-R835 IonicContact OD1-CZ 3.99Å; D738-R835 IonicContact OD1-NE 3.28Å; D738-R835 PolarHBondContact OD1-NE 3.21Å; D738-R835 IonicContact OD2-CZ 3.33Å; D738-R835 IonicContact OD2-NE 3.43Å; D738-R835 PolarHBondContact OD2-NE 3.48Å; D738-R835 IonicContact OD2-NH2 2.77Å; D738-R835 PolarHBondContact OD2-NH2 3.43Å; W831-R835 VanDerWaalsContact CZ2-NE 3.34Å; W831-R835 PolarHBondContact O-NH1 3.26Å; L832-R835 CarbonylContact O-C 3.47Å; L832-R835 PolarHBondContact O-N 2.86Å; T833-R835 PolarHBondContact O-N 2.86Å; R835-Q837 PolarHBondContact O-N 2.99Å; R835-Q838 PolarHBondContact O-N 2.87Å; R835-R880 PolarHBondContact O-NH2 3.17Å
836L77.8Confident83.8Confident114 Ų11455.4 Ų55.460%0.59729%0.288SS*.THydrogen-bonded Turntrans-54.6-33.3-172.2-152.488.7000113.6L832 T833 R880L832-L836 PolarHBondContact O-N 3.29Å; T833-L836 WeakPolarHBondContact O-CB 3.37Å; T833-L836 PolarHBondContact O-N 3.15Å; L836-R880 PolarHBondContact O-NH1 3.37Å
837Q73.8Confident83.5Confident198 Ų19850.2 Ų50.293%0.92527%0.265SS*.THydrogen-bonded Turntrans-102.5-0.3-176.7-61-177.1-2.300114.8R835R835-Q837 PolarHBondContact O-N 2.99Å
838Q76.1Confident83.3Confident76 Ų7649.1 Ų49.136%0.35526%0.258SS..SBendtrans-101.8150.2178.9-65.2177.81.100110.2R835 R880R835-Q838 PolarHBondContact O-N 2.87Å; Q838-R880 PolarHBondContact O-NH2 3.13Å
839S76.4Confident83.1Confident46 Ų4649.5 Ų49.532%0.32226%0.26SS..PPolyproline II helixtrans-84.1143.417171.90000110.4E739E739-S839 PolarHBondContact OE1-OG 3.4Å; E739-S839 PolarHBondContact OE2-N 3.04Å; E739-S839 VanDerWaalsContact OE2-N 3.15Å; E739-S839 PolarHBondContact OE2-OG 2.87Å
840L81.4Confident83Confident10 Ų1049.5 Ų49.55%0.05226%0.262CS..PPolyproline II helixtrans-80.4131.2177.9-67-175.3000110.9W831 L832 Q844 L848 L881 E884W831-L840 HydrophobicContact CH2-CD2 4.05Å; W831-L840 HydrophobicContact CZ3-CD2 3.84Å; L832-L840 HydrophobicContact CD2-CD1 3.88Å; L832-L840 HydrophobicContact CD2-CD2 4.45Å; L840-Q844 HydrophobicContact CB-CB 4.41Å; L840-L848 HydrophobicContact CD1-CD1 4.46Å; L840-L881 HydrophobicContact CD1-CD2 4.19Å; L840-E884 HydrophobicContact CB-CG 4.39Å; L840-E884 HydrophobicContact CD1-CG 3.92Å; L840-E884 HydrophobicContact CG-CG 4.08Å; L840-E884 PolarHBondContact N-OE2 2.99Å
841S79.3Confident83Confident29 Ų2945 Ų4520%0.20324%0.241CC..PPolyproline II helixtrans-56.9143.9167.5163.50000110.7T843 Q844 Y845S841-T843 PolarHBondContact O-N 2.96Å; S841-T843 PolarHBondContact OG-N 2.95Å; S841-Q844 CarbonylContact O-C 3.59Å; S841-Q844 WeakPolarHBondContact O-CA 3.28Å; S841-Q844 WeakPolarHBondContact O-CB 3.4Å; S841-Q844 PolarHBondContact O-N 2.88Å; S841-Y845 PolarHBondContact O-N 3.19Å
842A76.9Confident83Confident59 Ų5944.4 Ų44.449%0.48824%0.239SC..Hα-helixtrans-52.2-32.6177.100000113.2I846A842-I846 VanDerWaalsContact O-CB 3.29Å; A842-I846 WeakPolarHBondContact O-CB 3.34Å; A842-I846 WeakPolarHBondContact O-CD1 3.37Å; A842-I846 WeakPolarHBondContact O-CG1 3.26Å; A842-I846 PolarHBondContact O-N 3.1Å
843T77.9Confident83.2Confident22 Ų2249.3 Ų49.314%0.13526%0.26CS..Hα-helixtrans-70.5-35.6175-61.10000112.3Y737 S841 S847Y737-T843 HydrophobicContact CE1-CG2 4.35Å; Y737-T843 HydrophobicContact CE2-CG2 4.31Å; S841-T843 PolarHBondContact O-N 2.96Å; S841-T843 PolarHBondContact OG-N 2.95Å; T843-S847 VanDerWaalsContact O-CB 3.23Å; T843-S847 WeakPolarHBondContact O-CB 3.39Å; T843-S847 PolarHBondContact O-N 2.86Å; T843-S847 PolarHBondContact O-OG 2.82Å
844Q82.8Confident83.4Confident1 Ų149.7 Ų49.71%0.00526%0.255CS..Hα-helixtrans-71.5-50.5175.7-62.5173.1-39.800110.8L734 D738 W831 L840 S841 S847 L848L734-Q844 HydrophobicContact CB-CG 4.42Å; L734-Q844 PolarHBondContact O-NE2 3.1Å; D738-Q844 PolarHBondContact OD1-NE2 3.05Å; W831-Q844 HydrophobicContact CH2-CB 4.47Å; W831-Q844 HydrophobicContact CH2-CG 4.4Å; L840-Q844 HydrophobicContact CB-CB 4.41Å; S841-Q844 CarbonylContact O-C 3.59Å; S841-Q844 WeakPolarHBondContact O-CA 3.28Å; S841-Q844 WeakPolarHBondContact O-CB 3.4Å; S841-Q844 PolarHBondContact O-N 2.88Å; Q844-S847 PolarHBondContact O-N 2.84Å; Q844-L848 WeakPolarHBondContact O-CB 3.46Å; Q844-L848 WeakPolarHBondContact O-CG 3.4Å; Q844-L848 PolarHBondContact O-N 2.86Å
845Y84.7Confident83.7Confident23 Ų2342.9 Ų42.99%0.0922%0.223CC..Hα-helixtrans-57.4-53.2177.8168.4-105.5000111.5S841 S847 L848 S849 L881 E884 E885S841-Y845 PolarHBondContact O-N 3.19Å; Y845-S847 VanDerWaalsContact C-N 3.35Å; Y845-S847 PolarHBondContact O-N 2.81Å; Y845-L848 PolarHBondContact O-N 2.89Å; Y845-S849 WeakPolarHBondContact O-CB 3.31Å; Y845-S849 PolarHBondContact O-N 2.86Å; Y845-S849 PolarHBondContact OH-OG 2.82Å; Y845-S849 VanDerWaalsContact OH-OG 3.13Å; Y845-L881 HydrophobicContact CD2-CD2 4.2Å; Y845-L881 HydrophobicContact CE2-CB 4.3Å; Y845-L881 WeakPolarHBondContact CE2-O 3.42Å; Y845-E884 HydrophobicContact CD2-CB 4.12Å; Y845-E885 HydrophobicContact CE1-CB 4.4Å; Y845-E885 HydrophobicContact CE1-CG 4.47Å; Y845-E885 HydrophobicContact CE2-CB 3.97Å; Y845-E885 WeakPolarHBondContact OH-CG 3.25Å; Y845-E885 PolarHBondContact OH-OE1 2.86Å; Y845-E885 PolarHBondContact OH-OE2 3.13Å
846I84.4Confident84Confident58 Ų5843.6 Ų43.630%0.29723%0.227SC..Hα-helixtrans-59.4-47-179.3-68.2167.7000110.2A842 T850A842-I846 VanDerWaalsContact O-CB 3.29Å; A842-I846 WeakPolarHBondContact O-CB 3.34Å; A842-I846 WeakPolarHBondContact O-CD1 3.37Å; A842-I846 WeakPolarHBondContact O-CG1 3.26Å; A842-I846 PolarHBondContact O-N 3.1Å; I846-T850 WeakPolarHBondContact O-CB 3.49Å; I846-T850 PolarHBondContact O-N 3Å; I846-T850 PolarHBondContact O-OG1 2.93Å
847S85.3Confident84.6Confident0 Ų042.5 Ų42.50%022%0.218CC..Hα-helixtrans-63.4-46.1-179.1-63.50000112.7G789 T843 Q844 Y845 T850 I851G789-S847 PolarHBondContact N-OG 2.78Å; T843-S847 VanDerWaalsContact O-CB 3.23Å; T843-S847 WeakPolarHBondContact O-CB 3.39Å; T843-S847 PolarHBondContact O-N 2.86Å; T843-S847 PolarHBondContact O-OG 2.82Å; Q844-S847 PolarHBondContact O-N 2.84Å; Y845-S847 VanDerWaalsContact C-N 3.35Å; Y845-S847 PolarHBondContact O-N 2.81Å; S847-T850 PolarHBondContact O-N 2.83Å; S847-I851 WeakPolarHBondContact O-CG1 3.46Å; S847-I851 PolarHBondContact O-N 3.19Å
848L88.1Confident85.3Confident0 Ų033.7 Ų33.70%018%0.178CC..Hα-helixtrans-70.8-41.5-179.4-69.1170000112.4L731 L734 W831 L832 L840 Q844 Y845 T850 I851 V852 L881L731-L848 HydrophobicContact CD2-CD2 3.68Å; L734-L848 HydrophobicContact CD1-CD2 3.92Å; L734-L848 HydrophobicContact CD1-CG 3.97Å; W831-L848 HydrophobicContact CE3-CD1 3.87Å; W831-L848 HydrophobicContact CH2-CD1 4.02Å; W831-L848 HydrophobicContact CZ3-CD1 3.37Å; L832-L848 HydrophobicContact CD2-CD1 4.24Å; L840-L848 HydrophobicContact CD1-CD1 4.46Å; Q844-L848 WeakPolarHBondContact O-CB 3.46Å; Q844-L848 WeakPolarHBondContact O-CG 3.4Å; Q844-L848 PolarHBondContact O-N 2.86Å; Y845-L848 PolarHBondContact O-N 2.89Å; L848-T850 VanDerWaalsContact C-N 3.3Å; L848-T850 PolarHBondContact O-N 2.93Å; L848-I851 PolarHBondContact O-N 2.87Å; L848-V852 WeakPolarHBondContact O-CB 3.45Å; L848-V852 VanDerWaalsContact O-CG2 3.3Å; L848-V852 WeakPolarHBondContact O-CG2 3.45Å; L848-V852 PolarHBondContact O-N 3.09Å; L848-L881 HydrophobicContact CB-CD2 4.16Å
849S86.5Confident85.9Confident7 Ų730.1 Ų30.15%0.04916%0.161CC..Hα-helixtrans-59.8-41.9175-167.50000110.7Y845 K853Y845-S849 WeakPolarHBondContact O-CB 3.31Å; Y845-S849 PolarHBondContact O-N 2.86Å; Y845-S849 PolarHBondContact OH-OG 2.82Å; Y845-S849 VanDerWaalsContact OH-OG 3.13Å; S849-K853 VanDerWaalsContact O-CB 3.27Å; S849-K853 WeakPolarHBondContact O-CB 3.37Å; S849-K853 WeakPolarHBondContact O-CD 3.38Å; S849-K853 WeakPolarHBondContact O-CG 3.26Å; S849-K853 PolarHBondContact O-N 3.17Å; S849-K853 VanDerWaalsContact O-N 3.15Å; S849-K853 WeakPolarHBondContact OG-CE 3.4Å; S849-K853 PolarHBondContact OG-NZ 2.61Å
850T89Confident86.5Confident36 Ų3631 Ų3122%0.22117%0.167CC..Hα-helixtrans-64.8-49.1173.4-63.30000112.4V793 I846 S847 L848 K854V793-T850 HydrophobicContact CG2-CG2 4.17Å; I846-T850 WeakPolarHBondContact O-CB 3.49Å; I846-T850 PolarHBondContact O-N 3Å; I846-T850 PolarHBondContact O-OG1 2.93Å; S847-T850 PolarHBondContact O-N 2.83Å; L848-T850 VanDerWaalsContact C-N 3.3Å; L848-T850 PolarHBondContact O-N 2.93Å; T850-K854 VanDerWaalsContact O-CB 3.27Å; T850-K854 WeakPolarHBondContact O-CB 3.12Å; T850-K854 WeakPolarHBondContact O-CG 3.37Å; T850-K854 PolarHBondContact O-N 2.88Å
851I91.1Very high86.8Confident0 Ų036.8 Ų36.80%020%0.197CC..Hα-helixtrans-59.3-54.5179.8-69.2167.1000110.5V730 Y792 V793 I828 S847 L848 K853 K854 V855V730-I851 HydrophobicContact CG1-CD1 3.99Å; Y792-I851 HydrophobicContact CD1-CB 4.4Å; Y792-I851 HydrophobicContact CD1-CD1 4.04Å; Y792-I851 HydrophobicContact CD1-CG1 3.83Å; Y792-I851 HydrophobicContact CD1-CG2 3.75Å; Y792-I851 HydrophobicContact CE1-CG2 3.91Å; Y792-I851 HydrophobicContact CG-CD1 4.13Å; Y792-I851 HydrophobicContact CG-CG1 4.29Å; V793-I851 HydrophobicContact CG2-CG1 4.49Å; I828-I851 HydrophobicContact CD1-CG2 4.26Å; S847-I851 WeakPolarHBondContact O-CG1 3.46Å; S847-I851 PolarHBondContact O-N 3.19Å; L848-I851 PolarHBondContact O-N 2.87Å; I851-K853 PolarHBondContact O-N 2.86Å; I851-K854 PolarHBondContact O-N 3.38Å; I851-V855 HydrophobicContact CG2-CG2 4.03Å; I851-V855 VanDerWaalsContact O-CB 3.31Å; I851-V855 WeakPolarHBondContact O-CB 3.43Å; I851-V855 VanDerWaalsContact O-CG2 3.26Å; I851-V855 WeakPolarHBondContact O-CG2 3.36Å; I851-V855 PolarHBondContact O-N 3.29Å
852V91.7Very high86.9Confident3 Ų337.1 Ų37.12%0.01820%0.196CC..Hα-helixtrans-61.8-45.5-175.11720000111.6M825 I828 L848 Y856 Y874 I877 L881M825-V852 HydrophobicContact CE-CG1 4.42Å; I828-V852 HydrophobicContact CD1-CG2 4.01Å; I828-V852 HydrophobicContact CG2-CG2 4.09Å; L848-V852 WeakPolarHBondContact O-CB 3.45Å; L848-V852 VanDerWaalsContact O-CG2 3.3Å; L848-V852 WeakPolarHBondContact O-CG2 3.45Å; L848-V852 PolarHBondContact O-N 3.09Å; V852-Y856 WeakPolarHBondContact O-CB 3.42Å; V852-Y856 PolarHBondContact O-N 2.86Å; V852-Y874 HydrophobicContact CG1-CD2 4.06Å; V852-Y874 HydrophobicContact CG1-CE2 3.62Å; V852-I877 HydrophobicContact CG1-CG2 4.07Å; V852-I877 HydrophobicContact CG2-CG2 3.81Å; V852-L881 HydrophobicContact CB-CD1 4.27Å; V852-L881 HydrophobicContact CG2-CD1 4.13Å
853K89.8Confident87.2Confident109 Ų10937.1 Ų37.147%0.47420%0.201SC..Hα-helixtrans-65.9-38.5178.8-70.2170.1-179.8165.20112.1S849 I851 Q857S849-K853 VanDerWaalsContact O-CB 3.27Å; S849-K853 WeakPolarHBondContact O-CB 3.37Å; S849-K853 WeakPolarHBondContact O-CD 3.38Å; S849-K853 WeakPolarHBondContact O-CG 3.26Å; S849-K853 PolarHBondContact O-N 3.17Å; S849-K853 VanDerWaalsContact O-N 3.15Å; S849-K853 WeakPolarHBondContact OG-CE 3.4Å; S849-K853 PolarHBondContact OG-NZ 2.61Å; I851-K853 PolarHBondContact O-N 2.86Å; K853-Q857 WeakPolarHBondContact O-CB 3.47Å; K853-Q857 PolarHBondContact O-N 2.87Å
854K90.8Very high87.6Confident85 Ų8536.7 Ų36.737%0.3720%0.198SC..Hα-helixtrans-80-41.1-177.8-75.6-74.4168.2-1650113.7V793 T850 I851 Y856 Q857 D858V793-K854 HydrophobicContact CB-CB 4.4Å; V793-K854 HydrophobicContact CG1-CB 3.75Å; V793-K854 HydrophobicContact CG1-CD 4.41Å; V793-K854 HydrophobicContact CG1-CG 4.04Å; V793-K854 HydrophobicContact CG2-CB 3.66Å; V793-K854 HydrophobicContact CG2-CG 4.2Å; T850-K854 VanDerWaalsContact O-CB 3.27Å; T850-K854 WeakPolarHBondContact O-CB 3.12Å; T850-K854 WeakPolarHBondContact O-CG 3.37Å; T850-K854 PolarHBondContact O-N 2.88Å; I851-K854 PolarHBondContact O-N 3.38Å; K854-Y856 VanDerWaalsContact C-N 3.32Å; K854-Y856 PolarHBondContact O-N 2.85Å; K854-Q857 PolarHBondContact O-N 3.02Å; K854-D858 WeakPolarHBondContact O-CB 3.31Å; K854-D858 PolarHBondContact O-N 2.72Å
855V90.8Very high87.7Confident0 Ų042.1 Ų42.10%023%0.227CC..Hα-helixtrans-61.8-41174.7171.60000110.8Y792 F796 Y821 M825 I851 F859Y792-V855 HydrophobicContact CE1-CG2 4.17Å; F796-V855 HydrophobicContact CD1-CG2 4.05Å; F796-V855 HydrophobicContact CD2-CG2 4.26Å; F796-V855 HydrophobicContact CE1-CG1 4.45Å; F796-V855 HydrophobicContact CE1-CG2 4.27Å; F796-V855 HydrophobicContact CE2-CG1 4.24Å; F796-V855 HydrophobicContact CE2-CG2 4.49Å; F796-V855 HydrophobicContact CG-CG2 4.06Å; F796-V855 HydrophobicContact CZ-CG1 4.08Å; F796-V855 HydrophobicContact CZ-CG2 4.49Å; Y821-V855 HydrophobicContact CD2-CG1 4.13Å; Y821-V855 HydrophobicContact CE2-CG1 4.34Å; M825-V855 HydrophobicContact CE-CG1 4.18Å; I851-V855 HydrophobicContact CG2-CG2 4.03Å; I851-V855 VanDerWaalsContact O-CB 3.31Å; I851-V855 WeakPolarHBondContact O-CB 3.43Å; I851-V855 VanDerWaalsContact O-CG2 3.26Å; I851-V855 WeakPolarHBondContact O-CG2 3.36Å; I851-V855 PolarHBondContact O-N 3.29Å; V855-F859 HydrophobicContact CG1-CD2 3.57Å; V855-F859 HydrophobicContact CG1-CE2 3.63Å; V855-F859 WeakPolarHBondContact O-CB 3.47Å; V855-F859 WeakPolarHBondContact O-CD2 3.37Å; V855-F859 PolarHBondContact O-N 2.87Å
856Y90.4Very high87.7Confident40 Ų4047.6 Ų47.616%0.15725%0.253CS..Hα-helixtrans-60.6-49.1172.4-174.4-78.1000112Y821 V852 K854 D858 S860 L869 Y874Y821-Y856 WeakPolarHBondContact OH-CD2 3.35Å; V852-Y856 WeakPolarHBondContact O-CB 3.42Å; V852-Y856 PolarHBondContact O-N 2.86Å; K854-Y856 VanDerWaalsContact C-N 3.32Å; K854-Y856 PolarHBondContact O-N 2.85Å; Y856-D858 PolarHBondContact O-N 3.34Å; Y856-S860 WeakPolarHBondContact O-CB 2.84Å; Y856-S860 PolarHBondContact O-N 3.22Å; Y856-L869 HydrophobicContact CD2-CB 4.24Å; Y856-L869 HydrophobicContact CE2-CB 3.72Å; Y856-Y874 HydrophobicContact CD2-CD1 4.04Å; Y856-Y874 AromaticContact CD2-CD2 3.9Å; Y856-Y874 HydrophobicContact CD2-CD2 3.9Å; Y856-Y874 AromaticContact CD2-CE1 3.6Å; Y856-Y874 HydrophobicContact CD2-CE1 3.6Å; Y856-Y874 AromaticContact CD2-CE2 3.46Å; Y856-Y874 HydrophobicContact CD2-CE2 3.46Å; Y856-Y874 VanDerWaalsContact CD2-CE2 3.46Å; Y856-Y874 HydrophobicContact CD2-CG 4.17Å; Y856-Y874 AromaticContact CD2-CZ 3.29Å; Y856-Y874 AromaticContact CE2-CD1 3.85Å; Y856-Y874 HydrophobicContact CE2-CD1 3.85Å; Y856-Y874 AromaticContact CE2-CE1 3.46Å; Y856-Y874 HydrophobicContact CE2-CE1 3.46Å; Y856-Y874 VanDerWaalsContact CE2-CE1 3.46Å; Y856-Y874 HydrophobicContact CE2-CE2 4.21Å; Y856-Y874 HydrophobicContact CE2-CG 4.36Å; Y856-Y874 AromaticContact CE2-CZ 3.67Å; Y856-Y874 HydrophobicContact CG-CE2 4.04Å; Y856-Y874 AromaticContact CG-CZ 3.86Å
857Q89.7Confident87.7Confident90 Ų9053.7 Ų53.742%0.42128%0.281SS..Hα-helixtrans-60.4-46.9-179.5-178.5175.217.100111.8K853 K854 S860 L861K853-Q857 WeakPolarHBondContact O-CB 3.47Å; K853-Q857 PolarHBondContact O-N 2.87Å; K854-Q857 PolarHBondContact O-N 3.02Å; Q857-S860 WeakPolarHBondContact O-CB 3.45Å; Q857-S860 PolarHBondContact O-N 2.59Å; Q857-L861 HydrophobicContact CG-CD1 4.33Å; Q857-L861 WeakPolarHBondContact O-CG 3.3Å; Q857-L861 PolarHBondContact O-N 2.99Å
858D87.9Confident87.7Confident14 Ų1457.4 Ų57.48%0.07530%0.295CS..Hα-helixtrans-69.7-42.7-176.2-79.718.7000111.8F796 H797 K854 Y856 S860 L861 Q862F796-D858 HydrophobicContact CD1-CB 4.39Å; F796-D858 HydrophobicContact CE1-CB 3.67Å; H797-D858 IonicContact CE1-OD2 3.76Å; H797-D858 IonicContact CG-OD2 3.88Å; H797-D858 IonicContact ND1-OD2 2.72Å; H797-D858 PolarHBondContact ND1-OD2 3.29Å; K854-D858 WeakPolarHBondContact O-CB 3.31Å; K854-D858 PolarHBondContact O-N 2.72Å; Y856-D858 PolarHBondContact O-N 3.34Å; D858-S860 VanDerWaalsContact C-N 3.3Å; D858-S860 PolarHBondContact O-N 3.44Å; D858-L861 CarbonylContact O-C 3.55Å; D858-L861 WeakPolarHBondContact O-CB 3.21Å; D858-L861 PolarHBondContact O-N 2.74Å; D858-L861 VanDerWaalsContact O-N 3.12Å; D858-Q862 WeakPolarHBondContact O-CG 3.3Å; D858-Q862 PolarHBondContact O-N 2.79Å
859F90Very high87.6Confident0 Ų057.4 Ų57.40%030%0.295CS..Hα-helixtrans-68.2-29.4175.4-80.7-56.5000113.2F796 T800 F817 W820 Y821 V855 L861 Q862 G863 I864 L869F796-F859 HydrophobicContact CE1-CD2 4.45Å; F796-F859 HydrophobicContact CE1-CE2 4.47Å; F796-F859 HydrophobicContact CE2-CD2 4.16Å; F796-F859 HydrophobicContact CE2-CE1 4.15Å; F796-F859 AromaticContact CE2-CE2 3.4Å; F796-F859 HydrophobicContact CE2-CE2 3.4Å; F796-F859 AromaticContact CE2-CZ 3.41Å; F796-F859 HydrophobicContact CE2-CZ 3.41Å; F796-F859 VanDerWaalsContact CE2-CZ 3.41Å; F796-F859 HydrophobicContact CZ-CD1 4.08Å; F796-F859 AromaticContact CZ-CD2 3.53Å; F796-F859 HydrophobicContact CZ-CD2 3.53Å; F796-F859 AromaticContact CZ-CE1 3.8Å; F796-F859 HydrophobicContact CZ-CE1 3.8Å; F796-F859 AromaticContact CZ-CE2 3.25Å; F796-F859 HydrophobicContact CZ-CE2 3.25Å; F796-F859 AromaticContact CZ-CG 3.98Å; F796-F859 HydrophobicContact CZ-CG 3.98Å; F796-F859 AromaticContact CZ-CZ 3.42Å; F796-F859 HydrophobicContact CZ-CZ 3.42Å; F796-F859 VanDerWaalsContact CZ-CZ 3.42Å; T800-F859 HydrophobicContact CG2-CE1 4.1Å; F817-F859 HydrophobicContact CB-CD1 4.09Å; F817-F859 HydrophobicContact CB-CE1 3.64Å; F817-F859 HydrophobicContact CD1-CE1 4.17Å; F817-F859 HydrophobicContact CD2-CD1 4.48Å; F817-F859 HydrophobicContact CD2-CE1 4.39Å; F817-F859 HydrophobicContact CG-CD1 4.33Å; F817-F859 AromaticContact CG-CE1 3.84Å; F817-F859 HydrophobicContact CG-CE1 3.84Å; W820-F859 HydrophobicContact CB-CZ 4.37Å; W820-F859 HydrophobicContact CD2-CZ 4.12Å; W820-F859 HydrophobicContact CE3-CE1 4.31Å; W820-F859 AromaticContact CE3-CZ 3.87Å; W820-F859 HydrophobicContact CE3-CZ 3.87Å; W820-F859 HydrophobicContact CG-CZ 4.36Å; Y821-F859 AromaticContact CD2-CD2 3.38Å; Y821-F859 HydrophobicContact CD2-CD2 3.38Å; Y821-F859 AromaticContact CD2-CE2 3.71Å; Y821-F859 HydrophobicContact CD2-CE2 3.71Å; Y821-F859 HydrophobicContact CD2-CG 4.29Å; Y821-F859 HydrophobicContact CE2-CD2 4.24Å; Y821-F859 HydrophobicContact CG-CD2 4.07Å; Y821-F859 HydrophobicContact CG-CE2 4.19Å; V855-F859 HydrophobicContact CG1-CD2 3.57Å; V855-F859 HydrophobicContact CG1-CE2 3.63Å; V855-F859 WeakPolarHBondContact O-CB 3.47Å; V855-F859 WeakPolarHBondContact O-CD2 3.37Å; V855-F859 PolarHBondContact O-N 2.87Å; F859-L861 VanDerWaalsContact C-N 3.34Å; F859-Q862 PolarHBondContact O-N 2.61Å; F859-G863 PolarHBondContact O-N 2.77Å; F859-I864 HydrophobicContact CB-CD1 3.84Å; F859-I864 HydrophobicContact CB-CG1 4.34Å; F859-I864 HydrophobicContact CD1-CD1 3.51Å; F859-I864 HydrophobicContact CD1-CG1 4.37Å; F859-I864 HydrophobicContact CE1-CD1 4.15Å; F859-I864 HydrophobicContact CG-CD1 3.82Å; F859-I864 PolarHBondContact O-N 3.45Å; F859-L869 HydrophobicContact CB-CD2 3.8Å
860S88.1Confident87.7Confident64 Ų6460.2 Ų60.245%0.44831%0.309SS..Hα-helixtrans-63.8-39.6168.61790000111.7Y856 Q857 D858 Q862 G863Y856-S860 WeakPolarHBondContact O-CB 2.84Å; Y856-S860 PolarHBondContact O-N 3.22Å; Q857-S860 WeakPolarHBondContact O-CB 3.45Å; Q857-S860 PolarHBondContact O-N 2.59Å; D858-S860 VanDerWaalsContact C-N 3.3Å; D858-S860 PolarHBondContact O-N 3.44Å; S860-Q862 VanDerWaalsContact C-N 3.33Å; S860-G863 PolarHBondContact O-N 2.99Å
861L87.4Confident87.8Confident133 Ų13359.7 Ų59.770%0.69631%0.307SS*.Hα-helixtrans-69.3-28.5173.6-68.8169.8000113.2Q857 D858 F859 G863Q857-L861 HydrophobicContact CG-CD1 4.33Å; Q857-L861 WeakPolarHBondContact O-CG 3.3Å; Q857-L861 PolarHBondContact O-N 2.99Å; D858-L861 CarbonylContact O-C 3.55Å; D858-L861 WeakPolarHBondContact O-CB 3.21Å; D858-L861 PolarHBondContact O-N 2.74Å; D858-L861 VanDerWaalsContact O-N 3.12Å; F859-L861 VanDerWaalsContact C-N 3.34Å; L861-G863 PolarHBondContact O-N 2.93Å
862Q82.7Confident87.7Confident36 Ų3668.2 Ų68.217%0.16834%0.344CS..THydrogen-bonded Turntrans-77.3-2.7173.1-66-68.7-1600113.5R804 F817 D858 F859 S860R804-Q862 PolarHBondContact NH1-O 3.41Å; F817-Q862 HydrophobicContact CD2-CB 4.06Å; F817-Q862 HydrophobicContact CD2-CG 4.4Å; F817-Q862 HydrophobicContact CE2-CB 4.03Å; F817-Q862 HydrophobicContact CE2-CG 3.98Å; D858-Q862 WeakPolarHBondContact O-CG 3.3Å; D858-Q862 PolarHBondContact O-N 2.79Å; F859-Q862 PolarHBondContact O-N 2.61Å; S860-Q862 VanDerWaalsContact C-N 3.33Å
863G81.6Confident87.6Confident58 Ų5870.6 Ų70.660%0.59836%0.358SS*.THydrogen-bonded Turntrans86.422.7172.600000116F859 S860 L861F859-G863 PolarHBondContact O-N 2.77Å; S860-G863 PolarHBondContact O-N 2.99Å; L861-G863 PolarHBondContact O-N 2.93Å
864I86.7Confident87.6Confident13 Ų1367 Ų677%0.06734%0.342CS..  trans-71.8139.5169.4-54.9-171.9000110.2F817 E818 F859 E866 R868 L869F817-I864 HydrophobicContact CB-CD1 3.9Å; E818-I864 HydrophobicContact CG-CD1 4.44Å; E818-I864 HydrophobicContact CG-CG2 4.15Å; F859-I864 HydrophobicContact CB-CD1 3.84Å; F859-I864 HydrophobicContact CB-CG1 4.34Å; F859-I864 HydrophobicContact CD1-CD1 3.51Å; F859-I864 HydrophobicContact CD1-CG1 4.37Å; F859-I864 HydrophobicContact CE1-CD1 4.15Å; F859-I864 HydrophobicContact CG-CD1 3.82Å; F859-I864 PolarHBondContact O-N 3.45Å; I864-E866 PolarHBondContact O-N 2.89Å; I864-R868 HydrophobicContact CG2-CB 4.46Å; I864-L869 HydrophobicContact CB-CD1 4.22Å; I864-L869 HydrophobicContact CB-CD2 4.08Å; I864-L869 HydrophobicContact CB-CG 4.09Å; I864-L869 HydrophobicContact CD1-CD2 4.45Å; I864-L869 HydrophobicContact CG2-CD2 4.01Å; I864-L869 HydrophobicContact CG2-CG 3.96Å; I864-L869 WeakPolarHBondContact O-CD1 3.22Å
865D86.2Confident87.5Confident116 Ų11666.7 Ų66.762%0.6234%0.342SS*.  trans-53.9131.7177.7-79-35.4000113.5E867 R868 L869D865-E867 VanDerWaalsContact C-N 3.26Å; D865-E867 PolarHBondContact O-N 2.82Å; D865-R868 PolarHBondContact O-N 2.87Å; D865-L869 PolarHBondContact O-N 2.99Å
866E84.2Confident87.4Confident138 Ų13869 Ų6965%0.64536%0.358SS*.Hα-helixtrans-62.9-30.9-177.7-171.1172.9-16700112.6I864 R868 L869 N870I864-E866 PolarHBondContact O-N 2.89Å; E866-R868 VanDerWaalsContact C-N 3.26Å; E866-R868 PolarHBondContact O-N 3.34Å; E866-L869 PolarHBondContact O-N 2.91Å; E866-N870 VanDerWaalsContact O-CB 3.26Å; E866-N870 WeakPolarHBondContact O-CB 3.43Å; E866-N870 PolarHBondContact O-N 2.92Å
867E84.1Confident87.4Confident186 Ų18667.1 Ų67.187%0.86935%0.351SS*.Hα-helixtrans-61.9-33.8174.1-64.5-163.1167.100112.6D865D865-E867 VanDerWaalsContact C-N 3.26Å; D865-E867 PolarHBondContact O-N 2.82Å
868R84.1Confident87.4Confident78 Ų7864.4 Ų64.429%0.29434%0.342SS..Hα-helixtrans-83.1-40.6178.4-163.9169.6-172.5162.3-7.5111.4E818 D822 I864 D865 E866 S871E818-R868 WeakPolarHBondContact OE1-CD 3.44Å; E818-R868 IonicContact OE1-CZ 2.8Å; E818-R868 IonicContact OE1-NE 3.52Å; E818-R868 IonicContact OE1-NH1 2.66Å; E818-R868 PolarHBondContact OE1-NH1 3.45Å; E818-R868 IonicContact OE2-CZ 3.68Å; E818-R868 IonicContact OE2-NH1 2.69Å; E818-R868 PolarHBondContact OE2-NH1 2.91Å; D822-R868 IonicContact OD1-NE 3.12Å; D822-R868 IonicContact OD2-CZ 2.7Å; D822-R868 VanDerWaalsContact OD2-CZ 3.3Å; D822-R868 IonicContact OD2-NE 2.81Å; D822-R868 PolarHBondContact OD2-NE 2.9Å; D822-R868 IonicContact OD2-NH2 3.37Å; D822-R868 PolarHBondContact OD2-NH2 2.83Å; I864-R868 HydrophobicContact CG2-CB 4.46Å; D865-R868 PolarHBondContact O-N 2.87Å; E866-R868 VanDerWaalsContact C-N 3.26Å; E866-R868 PolarHBondContact O-N 3.34Å; R868-S871 WeakPolarHBondContact O-CB 3.48Å; R868-S871 PolarHBondContact O-N 2.81Å
869L87.8Confident87.3Confident0 Ų070.9 Ų70.90%037%0.365CS..Hα-helixtrans-60.1-47.5174-67.9176.5000111.7Y821 Y856 F859 I864 D865 E866 S871Y821-L869 HydrophobicContact CD1-CD2 4.03Å; Y821-L869 HydrophobicContact CD2-CD2 4.06Å; Y821-L869 HydrophobicContact CE1-CD2 3.84Å; Y821-L869 HydrophobicContact CE2-CD2 3.82Å; Y821-L869 HydrophobicContact CG-CD2 4.12Å; Y821-L869 PolarHBondContact OH-O 2.76Å; Y856-L869 HydrophobicContact CD2-CB 4.24Å; Y856-L869 HydrophobicContact CE2-CB 3.72Å; F859-L869 HydrophobicContact CB-CD2 3.8Å; I864-L869 HydrophobicContact CB-CD1 4.22Å; I864-L869 HydrophobicContact CB-CD2 4.08Å; I864-L869 HydrophobicContact CB-CG 4.09Å; I864-L869 HydrophobicContact CD1-CD2 4.45Å; I864-L869 HydrophobicContact CG2-CD2 4.01Å; I864-L869 HydrophobicContact CG2-CG 3.96Å; I864-L869 WeakPolarHBondContact O-CD1 3.22Å; D865-L869 PolarHBondContact O-N 2.99Å; E866-L869 PolarHBondContact O-N 2.91Å; L869-S871 PolarHBondContact O-N 3.14Å
870N87.9Confident87.2Confident65 Ų6573 Ų7335%0.34837%0.373SS..THydrogen-bonded Turntrans-81.841.3179.7-166.89000113.1E866 Q875E866-N870 VanDerWaalsContact O-CB 3.26Å; E866-N870 WeakPolarHBondContact O-CB 3.43Å; E866-N870 PolarHBondContact O-N 2.92Å; N870-Q875 PolarHBondContact O-NE2 3.45Å; N870-Q875 VanDerWaalsContact OD1-CG 3.31Å; N870-Q875 WeakPolarHBondContact OD1-CG 3.25Å; N870-Q875 PolarHBondContact OD1-NE2 3.37Å
871S90.9Very high87.1Confident25 Ų2570.3 Ų70.318%0.17535%0.354CS..  trans-60.7157.7-179.870.40000113R868 L869 T873 Y874 Q875R868-S871 WeakPolarHBondContact O-CB 3.48Å; R868-S871 PolarHBondContact O-N 2.81Å; L869-S871 PolarHBondContact O-N 3.14Å; S871-T873 PolarHBondContact O-N 3.33Å; S871-T873 VanDerWaalsContact O-N 3.13Å; S871-Y874 WeakPolarHBondContact O-CB 3.42Å; S871-Y874 PolarHBondContact O-N 2.88Å; S871-Y874 PolarHBondContact OG-N 2.86Å; S871-Q875 WeakPolarHBondContact O-CG 3.45Å; S871-Q875 PolarHBondContact O-N 2.78Å
872K88.8Confident86.9Confident180 Ų18069 Ų6978%0.78334%0.344SS*.Hα-helixtrans-55-32.3173.2-67.7179-179172.90112.3S876K872-S876 WeakPolarHBondContact O-CB 3.36Å; K872-S876 PolarHBondContact O-N 3.14Å
873T89.1Confident86.9Confident52 Ų5272.3 Ų72.332%0.31936%0.362SS..Hα-helixtrans-65.9-49.8175-490000110.9M825 N829 S871 Q875 S876 I877M825-T873 HydrophobicContact CB-CG2 4.33Å; N829-T873 HydrophobicContact CB-CG2 3.57Å; S871-T873 PolarHBondContact O-N 3.33Å; S871-T873 VanDerWaalsContact O-N 3.13Å; T873-Q875 PolarHBondContact O-N 2.92Å; T873-S876 VanDerWaalsContact O-CB 3.28Å; T873-S876 WeakPolarHBondContact O-CB 3.44Å; T873-S876 PolarHBondContact O-N 3.4Å; T873-S876 VanDerWaalsContact O-N 3.08Å; T873-I877 HydrophobicContact CG2-CD1 4.32Å; T873-I877 WeakPolarHBondContact O-CG1 3.5Å; T873-I877 PolarHBondContact O-N 3.47Å
874Y90.9Very high86.8Confident35 Ų3569.9 Ų69.914%0.13734%0.336CS..Hα-helixtrans-58.9-43.8174.7174.6-103.6000112.3M825 V852 Y856 S871 S876 I877 S878M825-Y874 HydrophobicContact CE-CD2 4.18Å; M825-Y874 HydrophobicContact SD-CD2 4.13Å; V852-Y874 HydrophobicContact CG1-CD2 4.06Å; V852-Y874 HydrophobicContact CG1-CE2 3.62Å; Y856-Y874 HydrophobicContact CD2-CD1 4.04Å; Y856-Y874 AromaticContact CD2-CD2 3.9Å; Y856-Y874 HydrophobicContact CD2-CD2 3.9Å; Y856-Y874 AromaticContact CD2-CE1 3.6Å; Y856-Y874 HydrophobicContact CD2-CE1 3.6Å; Y856-Y874 AromaticContact CD2-CE2 3.46Å; Y856-Y874 HydrophobicContact CD2-CE2 3.46Å; Y856-Y874 VanDerWaalsContact CD2-CE2 3.46Å; Y856-Y874 HydrophobicContact CD2-CG 4.17Å; Y856-Y874 AromaticContact CD2-CZ 3.29Å; Y856-Y874 AromaticContact CE2-CD1 3.85Å; Y856-Y874 HydrophobicContact CE2-CD1 3.85Å; Y856-Y874 AromaticContact CE2-CE1 3.46Å; Y856-Y874 HydrophobicContact CE2-CE1 3.46Å; Y856-Y874 VanDerWaalsContact CE2-CE1 3.46Å; Y856-Y874 HydrophobicContact CE2-CE2 4.21Å; Y856-Y874 HydrophobicContact CE2-CG 4.36Å; Y856-Y874 AromaticContact CE2-CZ 3.67Å; Y856-Y874 HydrophobicContact CG-CE2 4.04Å; Y856-Y874 AromaticContact CG-CZ 3.86Å; S871-Y874 WeakPolarHBondContact O-CB 3.42Å; S871-Y874 PolarHBondContact O-N 2.88Å; S871-Y874 PolarHBondContact OG-N 2.86Å; Y874-S876 VanDerWaalsContact C-N 3.26Å; Y874-S876 PolarHBondContact O-N 2.86Å; Y874-I877 PolarHBondContact O-N 2.82Å; Y874-S878 VanDerWaalsContact O-CB 3.3Å; Y874-S878 WeakPolarHBondContact O-CB 3.42Å; Y874-S878 PolarHBondContact O-N 3Å
875Q88.8Confident86.4Confident77 Ų7772.5 Ų72.536%0.3635%0.347SS..Hα-helixtrans-64.6-27.2175.6-65.5177.29.800113.5N870 S871 T873 R879N870-Q875 PolarHBondContact O-NE2 3.45Å; N870-Q875 VanDerWaalsContact OD1-CG 3.31Å; N870-Q875 WeakPolarHBondContact OD1-CG 3.25Å; N870-Q875 PolarHBondContact OD1-NE2 3.37Å; S871-Q875 WeakPolarHBondContact O-CG 3.45Å; S871-Q875 PolarHBondContact O-N 2.78Å; T873-Q875 PolarHBondContact O-N 2.92Å; Q875-R879 WeakPolarHBondContact O-CB 3.49Å; Q875-R879 WeakPolarHBondContact O-CG 3.14Å; Q875-R879 PolarHBondContact O-N 2.86Å; Q875-R879 PolarHBondContact O-NE 3.01Å
876S89.2Confident85.9Confident50 Ų5070 Ų7035%0.3534%0.339SS..Hα-helixtrans-69.9-53.2172.1-174.80000110.9N829 K872 T873 Y874 S878 R879 R880N829-S876 WeakPolarHBondContact OD1-CB 3.38Å; N829-S876 PolarHBondContact OD1-OG 2.9Å; K872-S876 WeakPolarHBondContact O-CB 3.36Å; K872-S876 PolarHBondContact O-N 3.14Å; T873-S876 VanDerWaalsContact O-CB 3.28Å; T873-S876 WeakPolarHBondContact O-CB 3.44Å; T873-S876 PolarHBondContact O-N 3.4Å; T873-S876 VanDerWaalsContact O-N 3.08Å; Y874-S876 VanDerWaalsContact C-N 3.26Å; Y874-S876 PolarHBondContact O-N 2.86Å; S876-S878 PolarHBondContact O-N 2.62Å; S876-R879 PolarHBondContact O-N 2.87Å; S876-R880 PolarHBondContact O-N 2.8Å
877I90Very high85.2Confident0 Ų067.5 Ų67.50%033%0.33CS..Hα-helixtrans-56.1-51177.6-62.8163.5000110.9M825 I828 N829 L832 V852 T873 Y874 R879 R880 L881M825-I877 HydrophobicContact CB-CD1 4.18Å; M825-I877 WeakPolarHBondContact O-CD1 3.22Å; M825-I877 HydrophobicContact SD-CD1 3.79Å; I828-I877 HydrophobicContact CB-CD1 4.18Å; I828-I877 HydrophobicContact CG2-CD1 4Å; I828-I877 HydrophobicContact CG2-CG1 4.24Å; I828-I877 HydrophobicContact CG2-CG2 3.9Å; N829-I877 HydrophobicContact CB-CD1 4Å; N829-I877 HydrophobicContact CB-CG1 3.79Å; L832-I877 HydrophobicContact CD1-CB 4.37Å; L832-I877 HydrophobicContact CD1-CG1 4.35Å; L832-I877 HydrophobicContact CD1-CG2 3.86Å; V852-I877 HydrophobicContact CG1-CG2 4.07Å; V852-I877 HydrophobicContact CG2-CG2 3.81Å; T873-I877 HydrophobicContact CG2-CD1 4.32Å; T873-I877 WeakPolarHBondContact O-CG1 3.5Å; T873-I877 PolarHBondContact O-N 3.47Å; Y874-I877 PolarHBondContact O-N 2.82Å; I877-R879 PolarHBondContact O-N 2.86Å; I877-R880 PolarHBondContact O-N 3Å; I877-R880 VanDerWaalsContact O-N 3.14Å; I877-L881 HydrophobicContact CG2-CD1 3.81Å; I877-L881 HydrophobicContact CG2-CG 4.35Å; I877-L881 WeakPolarHBondContact O-CG 3.31Å; I877-L881 PolarHBondContact O-N 2.95Å
878S88.8Confident84.1Confident32 Ų3260.2 Ų60.222%0.22430%0.3CS..Hα-helixtrans-60.6-43.9-176.9-1730000111.8Y874 S876 L881 Q882Y874-S878 VanDerWaalsContact O-CB 3.3Å; Y874-S878 WeakPolarHBondContact O-CB 3.42Å; Y874-S878 PolarHBondContact O-N 3Å; S876-S878 PolarHBondContact O-N 2.62Å; S878-L881 PolarHBondContact O-N 3.32Å; S878-Q882 VanDerWaalsContact O-CG 3.31Å; S878-Q882 WeakPolarHBondContact O-CG 2.87Å; S878-Q882 PolarHBondContact O-N 3.43Å
879R86.8Confident83Confident150 Ų15061.9 Ų61.957%0.56631%0.311SS*.Hα-helixtrans-63.8-40174-76.9-179.2-67.8179.50112.8Q875 S876 I877 Q882 L883Q875-R879 WeakPolarHBondContact O-CB 3.49Å; Q875-R879 WeakPolarHBondContact O-CG 3.14Å; Q875-R879 PolarHBondContact O-N 2.86Å; Q875-R879 PolarHBondContact O-NE 3.01Å; S876-R879 PolarHBondContact O-N 2.87Å; I877-R879 PolarHBondContact O-N 2.86Å; R879-Q882 PolarHBondContact O-N 3.05Å; R879-L883 WeakPolarHBondContact O-CG 3.32Å; R879-L883 PolarHBondContact O-N 3.4Å
880R86.8Confident81.6Confident45 Ų4567.4 Ų67.417%0.1734%0.339CS..Hα-helixtrans-62.7-46175177.155.6-176.6-118.70111.1L832 R835 L836 Q838 S876 I877 Q882 L883 E884L832-R880 HydrophobicContact CD2-CG 4.37Å; R835-R880 PolarHBondContact O-NH2 3.17Å; L836-R880 PolarHBondContact O-NH1 3.37Å; Q838-R880 PolarHBondContact O-NH2 3.13Å; S876-R880 PolarHBondContact O-N 2.8Å; I877-R880 PolarHBondContact O-N 3Å; I877-R880 VanDerWaalsContact O-N 3.14Å; R880-Q882 PolarHBondContact O-N 2.81Å; R880-L883 PolarHBondContact O-N 3.02Å; R880-E884 IonicContact CZ-OE1 3.77Å; R880-E884 IonicContact NE-OE1 4Å; R880-E884 PolarHBondContact NE-OE1 2.68Å; R880-E884 IonicContact NH2-OE1 2.76Å; R880-E884 PolarHBondContact NH2-OE1 3.28Å; R880-E884 WeakPolarHBondContact O-CG 3.32Å; R880-E884 PolarHBondContact O-N 3.19Å; R880-E884 VanDerWaalsContact O-N 3.15Å
881L86.3Confident80Confident8 Ų869.8 Ų69.84%0.04235%0.348CS..Hα-helixtrans-65-36.8179.9-66.8174.4000112.5L840 Y845 L848 V852 I877 S878 L883 E884 E885L840-L881 HydrophobicContact CD1-CD2 4.19Å; Y845-L881 HydrophobicContact CD2-CD2 4.2Å; Y845-L881 HydrophobicContact CE2-CB 4.3Å; Y845-L881 WeakPolarHBondContact CE2-O 3.42Å; L848-L881 HydrophobicContact CB-CD2 4.16Å; V852-L881 HydrophobicContact CB-CD1 4.27Å; V852-L881 HydrophobicContact CG2-CD1 4.13Å; I877-L881 HydrophobicContact CG2-CD1 3.81Å; I877-L881 HydrophobicContact CG2-CG 4.35Å; I877-L881 WeakPolarHBondContact O-CG 3.31Å; I877-L881 PolarHBondContact O-N 2.95Å; S878-L881 PolarHBondContact O-N 3.32Å; L881-L883 VanDerWaalsContact C-N 3.34Å; L881-L883 PolarHBondContact O-N 3.28Å; L881-E884 PolarHBondContact O-N 3.08Å; L881-E885 WeakPolarHBondContact O-CB 3.48Å; L881-E885 PolarHBondContact O-N 3.08Å
882Q83.7Confident78Confident104 Ų10474.3 Ų74.349%0.48637%0.366SS..Hα-helixtrans-64-34.8173.7-74.4172.1-4.700113.4S878 R879 R880 S886S878-Q882 VanDerWaalsContact O-CG 3.31Å; S878-Q882 WeakPolarHBondContact O-CG 2.87Å; S878-Q882 PolarHBondContact O-N 3.43Å; R879-Q882 PolarHBondContact O-N 3.05Å; R880-Q882 PolarHBondContact O-N 2.81Å; Q882-S886 PolarHBondContact O-N 3.03Å; Q882-S886 VanDerWaalsContact O-N 3.11Å; Q882-S886 PolarHBondContact O-OG 3.25Å
883L82.7Confident76Confident107 Ų10769.1 Ų69.156%0.5636%0.357SS*.Hα-helixtrans-68.6-40.3174.7-69.7168.2000111.3R879 R880 L881 S886 N887R879-L883 WeakPolarHBondContact O-CG 3.32Å; R879-L883 PolarHBondContact O-N 3.4Å; R880-L883 PolarHBondContact O-N 3.02Å; L881-L883 VanDerWaalsContact C-N 3.34Å; L881-L883 PolarHBondContact O-N 3.28Å; L883-S886 WeakPolarHBondContact O-CB 3.39Å; L883-S886 PolarHBondContact O-N 3.18Å; L883-N887 WeakPolarHBondContact O-CB 3.05Å; L883-N887 PolarHBondContact O-N 3.29Å; L883-N887 PolarHBondContact O-ND2 3.22Å
884E79.9Confident73.9Confident7 Ų770.8 Ų70.83%0.03338%0.376CS..Hα-helixtrans-68.4-36.3176.5-61.8-72.1-175.400112.6L840 Y845 R880 L881 N887 S888L840-E884 HydrophobicContact CB-CG 4.39Å; L840-E884 HydrophobicContact CD1-CG 3.92Å; L840-E884 HydrophobicContact CG-CG 4.08Å; L840-E884 PolarHBondContact N-OE2 2.99Å; Y845-E884 HydrophobicContact CD2-CB 4.12Å; R880-E884 IonicContact CZ-OE1 3.77Å; R880-E884 IonicContact NE-OE1 4Å; R880-E884 PolarHBondContact NE-OE1 2.68Å; R880-E884 IonicContact NH2-OE1 2.76Å; R880-E884 PolarHBondContact NH2-OE1 3.28Å; R880-E884 WeakPolarHBondContact O-CG 3.32Å; R880-E884 PolarHBondContact O-N 3.19Å; R880-E884 VanDerWaalsContact O-N 3.15Å; L881-E884 PolarHBondContact O-N 3.08Å; E884-N887 PolarHBondContact O-N 2.9Å; E884-S888 VanDerWaalsContact O-CB 3.32Å; E884-S888 WeakPolarHBondContact O-CB 3.3Å; E884-S888 PolarHBondContact O-N 2.84Å; E884-S888 PolarHBondContact O-OG 2.84Å
885E77.8Confident71.9Confident67 Ų6775.2 Ų75.231%0.31340%0.401SS..Hα-helixtrans-59.3-46.5171-173.8161.7-13900110.9Y845 L881 S888 H889Y845-E885 HydrophobicContact CE1-CB 4.4Å; Y845-E885 HydrophobicContact CE1-CG 4.47Å; Y845-E885 HydrophobicContact CE2-CB 3.97Å; Y845-E885 WeakPolarHBondContact OH-CG 3.25Å; Y845-E885 PolarHBondContact OH-OE1 2.86Å; Y845-E885 PolarHBondContact OH-OE2 3.13Å; L881-E885 WeakPolarHBondContact O-CB 3.48Å; L881-E885 PolarHBondContact O-N 3.08Å; E885-S888 PolarHBondContact O-N 2.58Å; E885-H889 PolarHBondContact O-CD2 2.97Å; E885-H889 PolarHBondContact O-N 3.33Å
886S75.1Confident69.6Low65 Ų6578 Ų7846%0.45542%0.419SS..Hα-helixtrans-63.5-43.5176.8-55.80000112.3Q882 L883 I890Q882-S886 PolarHBondContact O-N 3.03Å; Q882-S886 VanDerWaalsContact O-N 3.11Å; Q882-S886 PolarHBondContact O-OG 3.25Å; L883-S886 WeakPolarHBondContact O-CB 3.39Å; L883-S886 PolarHBondContact O-N 3.18Å; S886-I890 WeakPolarHBondContact O-CD1 3.24Å; S886-I890 WeakPolarHBondContact O-CG1 3.45Å; S886-I890 PolarHBondContact O-N 3.32Å
887N69.9Low67Low84 Ų8478.9 Ų78.945%0.44944%0.435SS..Hα-helixtrans-65.2-42.6177.2-69.4-19.4000112L883 E884 H889 I890 Q891L883-N887 WeakPolarHBondContact O-CB 3.05Å; L883-N887 PolarHBondContact O-N 3.29Å; L883-N887 PolarHBondContact O-ND2 3.22Å; E884-N887 PolarHBondContact O-N 2.9Å; N887-H889 PolarHBondContact O-N 3.44Å; N887-I890 PolarHBondContact O-N 2.82Å; N887-Q891 PolarHBondContact O-N 3.28Å
888S62.2Low64.4Low33 Ų3385.1 Ų85.123%0.23148%0.479CS..Hα-helixtrans-60.5-43.5179.5-61.10000111.8E884 E885 I890 Q891 E892E884-S888 VanDerWaalsContact O-CB 3.32Å; E884-S888 WeakPolarHBondContact O-CB 3.3Å; E884-S888 PolarHBondContact O-N 2.84Å; E884-S888 PolarHBondContact O-OG 2.84Å; E885-S888 PolarHBondContact O-N 2.58Å; S888-I890 PolarHBondContact O-N 3.3Å; S888-Q891 PolarHBondContact O-N 2.72Å; S888-E892 PolarHBondContact O-N 2.9Å
889H59.5Low61.7Low113 Ų11388.3 Ų88.352%0.52351%0.507SS..Hα-helixtrans-66.5-34176.6-74-49.9000113.5E885 N887 Q891 E892 A893E885-H889 PolarHBondContact O-CD2 2.97Å; E885-H889 PolarHBondContact O-N 3.33Å; N887-H889 PolarHBondContact O-N 3.44Å; H889-Q891 VanDerWaalsContact C-N 3.32Å; H889-E892 IonicContact ND1-OE2 3.42Å; H889-A893 VanDerWaalsContact O-CB 3.29Å; H889-A893 WeakPolarHBondContact O-CB 3.47Å; H889-A893 PolarHBondContact O-N 2.76Å
890I58.6Low59Low117 Ų11790.8 Ų90.860%0.653%0.525SS*.Hα-helixtrans-66.4-37.7172.9-67.3164.6000110.5S886 N887 S888 A893 A894S886-I890 WeakPolarHBondContact O-CD1 3.24Å; S886-I890 WeakPolarHBondContact O-CG1 3.45Å; S886-I890 PolarHBondContact O-N 3.32Å; N887-I890 PolarHBondContact O-N 2.82Å; S888-I890 PolarHBondContact O-N 3.3Å; I890-A893 PolarHBondContact O-N 2.76Å; I890-A894 PolarHBondContact O-N 3.06Å
891Q54Low56.3Low115 Ų11592.4 Ų92.454%0.53756%0.555SS.*Hα-helixtrans-75.4-36.2-178.4-156.8161.9-3.700112.6N887 S888 H889 A894 I895N887-Q891 PolarHBondContact O-N 3.28Å; S888-Q891 PolarHBondContact O-N 2.72Å; H889-Q891 VanDerWaalsContact C-N 3.32Å; Q891-A894 PolarHBondContact O-N 3.3Å; Q891-I895 WeakPolarHBondContact O-CD1 3.46Å; Q891-I895 WeakPolarHBondContact O-CG1 3.45Å; Q891-I895 PolarHBondContact O-N 2.99Å
892E49.3Very low53.6Low119 Ų11997.5 Ų97.556%0.55659%0.592SS**Hα-helixtrans-64.1-42.3167.4-78.1-170.5136.800112.1S888 H889 A894 I895 N896S888-E892 PolarHBondContact O-N 2.9Å; H889-E892 IonicContact ND1-OE2 3.42Å; E892-A894 VanDerWaalsContact C-N 3.28Å; E892-A894 PolarHBondContact O-N 2.91Å; E892-I895 PolarHBondContact O-N 3.39Å; E892-I895 VanDerWaalsContact O-N 3.11Å; E892-N896 PolarHBondContact O-N 3.06Å
893A46.2Very low51.1Low72 Ų7299.1 Ų99.160%0.59561%0.608SS**Hα-helixtrans-63-32.9177.900000112.8H889 I890 I895H889-A893 VanDerWaalsContact O-CB 3.29Å; H889-A893 WeakPolarHBondContact O-CB 3.47Å; H889-A893 PolarHBondContact O-N 2.76Å; I890-A893 PolarHBondContact O-N 2.76Å; A893-I895 VanDerWaalsContact C-N 3.3Å; A893-I895 PolarHBondContact O-N 3.11Å
894A45.4Very low48.5Very low87 Ų87103.1 Ų103.172%0.71962%0.621SS**Hα-helixtrans-71.2-21.3175.400000114I890 Q891 E892I890-A894 PolarHBondContact O-N 3.06Å; Q891-A894 PolarHBondContact O-N 3.3Å; E892-A894 VanDerWaalsContact C-N 3.28Å; E892-A894 PolarHBondContact O-N 2.91Å
895I48.9Very low46.7Very low128 Ų128108 Ų10866%0.65665%0.654SS**Hα-helixtrans-95.7-27-175.9-67.1168.6000112.1Q891 E892 A893Q891-I895 WeakPolarHBondContact O-CD1 3.46Å; Q891-I895 WeakPolarHBondContact O-CG1 3.45Å; Q891-I895 PolarHBondContact O-N 2.99Å; E892-I895 PolarHBondContact O-N 3.39Å; E892-I895 VanDerWaalsContact O-N 3.11Å; A893-I895 VanDerWaalsContact C-N 3.3Å; A893-I895 PolarHBondContact O-N 3.11Å
896N40.3Very low44.4Very low136 Ų136110.2 Ų110.273%0.72767%0.672SS**SBendtrans-118.119.1-161.5-88.7-21.8000117.8E892E892-N896 PolarHBondContact O-N 3.06Å
897G35.7Very low42.1Very low67 Ų67112.5 Ų112.569%0.69169%0.688SS**  trans-16881.8-178.800000120.9
898S35.7Very low40.3Very low131 Ų131116.1 Ų116.192%0.91671%0.707SS**  trans-96.382.4150.649.40000111.3
899A30.9Very low38.7Very low99 Ų99117.8 Ų117.882%0.81873%0.729SS**  trans-160.8149.4165.900000113.5
900Q30.6Very low37.2Very low203 Ų203120.3 Ų120.395%0.94975%0.746SS**  trans-58.1159.3-175.5-60.3167.6-35.100116.4
901G29.7Very low35.8Very low78 Ų78118.9 Ų118.980%0.80475%0.752SS**  trans142.5109.4144.100000115.9
902S30.7Very low34.6Very low115 Ų115120.3 Ų120.380%0.80477%0.769SS**  trans-76.4151.8172.249.90000113
903V29.9Very low33.5Very low138 Ų138119.1 Ų119.184%0.83678%0.78SS**  -179.3132.7127.2150.40000109.9
904F29.1Very low32.7Very low191 Ų191120 Ų12084%0.83879%0.787SS**  trans-93.1156.1170.3-109.1-75.2000109.3
905P41.6Very low31.9Very low110 Ų110122.3 Ų122.371%0.71479%0.792SS**  -154.2139.788.238.7-18.6000119.1
906T28.5Very low30.8Very low114 Ų114121 Ų12170%0.69979%0.794SS**  trans42.9118.7139.159.10000123.9
907S27.8Very low30.1Very low113 Ų113122.2 Ų122.279%0.7980%0.8SS**  -163.8102.6109.5-174.40000109.2
908L31.2Very low29.7Very low159 Ų159127.8 Ų127.883%0.83281%0.81SS**  32.8127.8103.8-9280.1000116.1
909G28.1Very low29.2Very low68 Ų68126.3 Ų126.370%0.70180%0.8SS**  cis175.1172-6.500000117.2
910N29.4Very low29Very low166 Ų166126.9 Ų126.989%0.88880%0.798SS**  trans65.5105.9158.4-63.83.8000121.2
911A29.1Very low28.9Very low87 Ų87124.7 Ų124.772%0.71979%0.79SS**  trans-77162149.100000111.7
912T27.8Very low28.8Very low146 Ų146126 Ų12690%0.89678%0.782SS**  166.8167.9122.236.20000113.4
913A27.6Very low28.7Very low94 Ų94129.6 Ų129.678%0.77779%0.786SS**  trans76.6105.6177.700000115.8
914A28.7Very low28.5Very low90 Ų90126.3 Ų126.374%0.74478%0.781SS**  80.7104.360.400000112.1
915V27.9Very low28.3Very low136 Ų136122.6 Ų122.682%0.82479%0.785SS**  80.9138.989.1167.30000113.5
916S26.4Very low27.6Very low100 Ų100121.2 Ų121.270%0.69979%0.79SS**  trans74.6132.7178.980.30000114.7
917N26.3Very low27.5Very low162 Ų162120.1 Ų120.187%0.86679%0.793SS**  cis-147.5167.936.1-95.6-48.4000114.3
918M26.5Very low27.5Very low183 Ų183124.1 Ų124.190%0.90180%0.796SS**  trans-128141.5-175.7-164.7-175.3-171.400110.7
919S24.7Very low27.2Very low101 Ų101124.7 Ų124.771%0.70680%0.797SS**  trans72.2113.7155.2-150.30000122.1
920S28Very low27.1Very low111 Ų111130.5 Ų130.578%0.77680%0.803SS**  -170.4117.3127.359.20000107.5
921M27.5Very low27Very low157 Ų157127.4 Ų127.477%0.77380%0.795SS**  50.9132.266.8-67.2-168.87200113.1
922V28.7Very low26.8Very low105 Ų105130.5 Ų130.564%0.63680%0.798SS**  cis-163.9178.2-1.7111.70000109.1
923E27.1Very low26.7Very low190 Ų190133.4 Ų133.489%0.88880%0.799SS**  trans72.3137.3167.4-87.5155.8-157.900118.6
924G26.1Very low26.8Very low70 Ų70142 Ų14272%0.72282%0.818SS**  cis-171143.5-5.300000115.2
925A24.7Very low26.7Very low113 Ų113144.6 Ų144.693%0.93482%0.822SS**  trans53.2119.6140.300000121.7
926G27.1Very low26.6Very low80 Ų80145 Ų14583%0.82582%0.822SS**  trans-163.9-2176.500000120.1
927A26.3Very low26.6Very low92 Ų92147.5 Ų147.576%0.7683%0.829SS**  trans53.8130.8160.600000122.9
928K28.2Very low26.6Very low197 Ų197146.6 Ų146.686%0.85783%0.827SS**  trans70.8143.8154.8-66.3176.4179.6-179.20117.9
929M25.6Very low26.6Very low171 Ų171144.4 Ų144.484%0.84282%0.822SS**  cis-148.6169.2-10.4-144-152.3-60.200110.8
930F25.9Very low26.8Very low190 Ų190147.3 Ų147.383%0.83383%0.83SS**  trans-76.8174.1-171.9-95.5-102.4000116.8
931S27.6Very low26.7Very low101 Ų101149.9 Ų149.971%0.70683%0.833SS**  trans106.4105.1150.3730000114.6
932L24.6Very low26.6Very low152 Ų152149.3 Ų149.380%0.79684%0.838SS**  70.897.781.6-77.1157.8000112
933F25.3Very low26.4Very low207 Ų207153 Ų15391%0.90886%0.855SS**  179.3121.8115.9-106.6-74.4000110.1
934K28.9Very low26.4Very low273 Ų273149.6 Ų149.6100%1.18785%0.852SS**  -155.50129.8-145.7-177.5-176-174.70110.3

Retrieved 934 of 934 residues in 802.8 ms (Link to these results)

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