G4VPC4_SCHMA Loading...

RNA polymerase III subunit C3

AlphaFold DB , UniProt , Accession G4VPC4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 684 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
1M45Very low60.5Low237 Ų237141.7 Ų141.7100%1.16769%0.694SS**  0106.20-64.2-166-151.600106.6E3M1-E3 PolarHBondContact O-N 3.17Å; M1-E3 VanDerWaalsContact O-N 3.12Å
2Q50.5Low61.7Low199 Ų199137 Ų13793%0.9367%0.669SS**  trans-72.4104.4167.9-83.8172.9-14.700105.4Y4Q2-Y4 PolarHBondContact O-N 3.12Å
3E50.9Low62.9Low149 Ų149136 Ų13670%0.69666%0.659SS**  trans-48125.2168.7-74177.9162.700107.3M1 Q5M1-E3 PolarHBondContact O-N 3.17Å; M1-E3 VanDerWaalsContact O-N 3.12Å; E3-Q5 HydrophobicContact CB-CG 4.05Å; E3-Q5 PolarHBondContact O-N 3.07Å
4Y54.2Low63.2Low191 Ų191134.1 Ų134.175%0.74964%0.643SS**  trans-68.976.1177.3-154.1-102.1000107.1Q2 S6 L8Q2-Y4 PolarHBondContact O-N 3.12Å; Y4-S6 WeakPolarHBondContact CD1-OG 3.05Å; Y4-S6 WeakPolarHBondContact CE1-OG 2.92Å; Y4-S6 PolarHBondContact O-N 2.7Å; Y4-S6 VanDerWaalsContact O-N 3.07Å; Y4-L8 HydrophobicContact CD1-CD1 4.29Å; Y4-L8 HydrophobicContact CE1-CD1 4.17Å
5Q55.8Low63.8Low169 Ų169129 Ų12979%0.7964%0.639SS**  trans-76.319.1-178.8-73.2-170.7-1300112.1E3E3-Q5 HydrophobicContact CB-CG 4.05Å; E3-Q5 PolarHBondContact O-N 3.07Å
6S60.9Low64.5Low61 Ų61131.6 Ų131.643%0.42765%0.649SS.*SBendtrans-86.2134.6169.559.30000109.6Y4 L8Y4-S6 WeakPolarHBondContact CD1-OG 3.05Å; Y4-S6 WeakPolarHBondContact CE1-OG 2.92Å; Y4-S6 PolarHBondContact O-N 2.7Å; Y4-S6 VanDerWaalsContact O-N 3.07Å; S6-L8 PolarHBondContact O-N 3.04Å
7T63.4Low65.3Low106 Ų106131.8 Ų131.865%0.6565%0.645SS**  trans-53.9109.6172.4-10.90000110.1
8L65.7Low66.2Low123 Ų123133.2 Ų133.264%0.64464%0.643SS**SBendtrans-72.6-37-176.1-153.178.5000111.8Y4 S6Y4-L8 HydrophobicContact CD1-CD1 4.29Å; Y4-L8 HydrophobicContact CE1-CD1 4.17Å; S6-L8 PolarHBondContact O-N 3.04Å
9F68.9Low66.9Low137 Ų137127.7 Ų127.760%0.60162%0.616SS**  trans-147.2129.2175.4-61.4-75.8000110.5V11 T20F9-V11 HydrophobicContact CB-CG2 3.94Å; F9-V11 PolarHBondContact O-N 2.84Å; F9-T20 HydrophobicContact CD1-CG2 4.49Å
10H70.6Confident67.9Low108 Ų108123.5 Ų123.550%0.560%0.599SS.*  trans-77.1118.8159.6-72.6-59.2000108.3D21H10-D21 VanDerWaalsContact CB-OD2 3.23Å; H10-D21 WeakPolarHBondContact CB-OD2 3.5Å; H10-D21 IonicContact CD2-OD2 3.65Å; H10-D21 IonicContact CG-OD2 3.77Å; H10-D21 PolarHBondContact O-N 3.47Å
11V79.1Confident68.6Low79 Ų79120.3 Ų120.348%0.47959%0.585SS.*EExtended strand (participates in β ladder)trans-118.3126.2-176.9-176.90000109F9 Y18 F19F9-V11 HydrophobicContact CB-CG2 3.94Å; F9-V11 PolarHBondContact O-N 2.84Å; V11-Y18 HydrophobicContact CG1-CD1 3.78Å; V11-Y18 HydrophobicContact CG1-CG 4.15Å; V11-F19 CarbonylContact C-O 3.6Å; V11-F19 WeakPolarHBondContact CA-O 2.9Å
12H75.3Confident70.6Confident85 Ų85114 Ų11439%0.39456%0.56SS.*EExtended strand (participates in β ladder)trans-104.8127.6176.9-67-85.8000110.2Y14 Y18 F19 D21 L24H12-Y14 HydrophobicContact CB-CD2 4.36Å; H12-Y14 HydrophobicContact CB-CE2 4.36Å; H12-Y18 CarbonylContact O-C 3.59Å; H12-Y18 WeakPolarHBondContact O-CA 3.23Å; H12-F19 PolarHBondContact N-O 2.82Å; H12-F19 PolarHBondContact O-N 2.78Å; H12-D21 IonicContact CD2-OD1 3.35Å; H12-D21 PolarHBondContact CD2-OD1 3.49Å; H12-D21 IonicContact NE2-OD1 3.09Å; H12-D21 PolarHBondContact NE2-OD1 3.27Å; H12-D21 VanDerWaalsContact NE2-OD1 3.09Å; H12-L24 HydrophobicContact CB-CD1 3.85Å; H12-L24 VanDerWaalsContact CD2-CD1 3.44Å; H12-L24 WeakPolarHBondContact CD2-CD1 3.3Å
13K77.2Confident72.2Confident124 Ų124109.1 Ų109.154%0.53954%0.536SS..EExtended strand (participates in β ladder)trans-86.2126.9172.6-173.7177.9177.9176.50110.1G15 K17 Y18K13-G15 WeakPolarHBondContact CE-O 3.46Å; K13-G15 VanDerWaalsContact CG-O 3.3Å; K13-G15 WeakPolarHBondContact CG-O 3.3Å; K13-K17 WeakPolarHBondContact CA-O 3.36Å; K13-Y18 HydrophobicContact CB-CD1 4.03Å; K13-Y18 HydrophobicContact CB-CE1 3.89Å; K13-Y18 HydrophobicContact CD-CE1 4.03Å; K13-Y18 HydrophobicContact CG-CD1 4.32Å; K13-Y18 HydrophobicContact CG-CE1 3.96Å
14Y67.6Low73.9Confident110 Ų110103.3 Ų103.343%0.43151%0.509SS..EExtended strand (participates in β ladder)trans-129.8100.4172.9-91-90.1000108.6H12 E16 K17 F19 L24 L57H12-Y14 HydrophobicContact CB-CD2 4.36Å; H12-Y14 HydrophobicContact CB-CE2 4.36Å; Y14-E16 PolarHBondContact O-N 3.09Å; Y14-K17 PolarHBondContact N-O 3.23Å; Y14-K17 PolarHBondContact O-N 3.2Å; Y14-F19 AromaticContact CD2-CD2 3.77Å; Y14-F19 HydrophobicContact CD2-CD2 3.77Å; Y14-F19 HydrophobicContact CD2-CE2 4.23Å; Y14-F19 HydrophobicContact CG-CD2 4.1Å; Y14-F19 HydrophobicContact CG-CE2 4.1Å; Y14-L24 HydrophobicContact CE2-CD2 4.44Å; Y14-L57 HydrophobicContact CD1-CD1 4.36Å; Y14-L57 HydrophobicContact CE1-CD1 3.88Å; Y14-L57 HydrophobicContact CE2-CD1 4.3Å
15G71.3Confident75.5Confident57 Ų5799.1 Ų99.159%0.58850%0.5SS*.THydrogen-bonded Turntrans61.4-131.5-168.900000110.9K13 K17K13-G15 WeakPolarHBondContact CE-O 3.46Å; K13-G15 VanDerWaalsContact CG-O 3.3Å; K13-G15 WeakPolarHBondContact CG-O 3.3Å; G15-K17 VanDerWaalsContact C-N 3.27Å; G15-K17 PolarHBondContact O-N 3.44Å
16E76Confident77.1Confident170 Ų17094 Ų9479%0.79449%0.486SS*.THydrogen-bonded Turntrans-84.55.7177-60-52.712900113.9Y14Y14-E16 PolarHBondContact O-N 3.09Å
17K77.2Confident78.5Confident135 Ų13591.5 Ų91.559%0.58747%0.469SS*.EExtended strand (participates in β ladder)trans-110.8143.3-178-65.7-176.7179.4-179.70111.6K13 Y14 G15 F19K13-K17 WeakPolarHBondContact CA-O 3.36Å; Y14-K17 PolarHBondContact N-O 3.23Å; Y14-K17 PolarHBondContact O-N 3.2Å; G15-K17 VanDerWaalsContact C-N 3.27Å; G15-K17 PolarHBondContact O-N 3.44Å; K17-F19 HydrophobicContact CB-CE1 4.33Å; K17-F19 HydrophobicContact CB-CE2 4.25Å; K17-F19 HydrophobicContact CB-CZ 3.91Å; K17-F19 HydrophobicContact CD-CZ 4.22Å
18Y81.8Confident79.8Confident157 Ų15790.1 Ų90.162%0.61645%0.454SS*.EExtended strand (participates in β ladder)trans-108.6131.2174.2-67.2-86.3000109.4V11 H12 K13V11-Y18 HydrophobicContact CG1-CD1 3.78Å; V11-Y18 HydrophobicContact CG1-CG 4.15Å; H12-Y18 CarbonylContact O-C 3.59Å; H12-Y18 WeakPolarHBondContact O-CA 3.23Å; K13-Y18 HydrophobicContact CB-CD1 4.03Å; K13-Y18 HydrophobicContact CB-CE1 3.89Å; K13-Y18 HydrophobicContact CD-CE1 4.03Å; K13-Y18 HydrophobicContact CG-CD1 4.32Å; K13-Y18 HydrophobicContact CG-CE1 3.96Å
19F79.6Confident81.1Confident29 Ų2986.4 Ų86.413%0.12744%0.441CS..EExtended strand (participates in β ladder)trans-121.5137.7-178.8-61.7-58.7000110.8V11 H12 Y14 K17 F23 L24V11-F19 CarbonylContact C-O 3.6Å; V11-F19 WeakPolarHBondContact CA-O 2.9Å; H12-F19 PolarHBondContact N-O 2.82Å; H12-F19 PolarHBondContact O-N 2.78Å; Y14-F19 AromaticContact CD2-CD2 3.77Å; Y14-F19 HydrophobicContact CD2-CD2 3.77Å; Y14-F19 HydrophobicContact CD2-CE2 4.23Å; Y14-F19 HydrophobicContact CG-CD2 4.1Å; Y14-F19 HydrophobicContact CG-CE2 4.1Å; K17-F19 HydrophobicContact CB-CE1 4.33Å; K17-F19 HydrophobicContact CB-CE2 4.25Å; K17-F19 HydrophobicContact CB-CZ 3.91Å; K17-F19 HydrophobicContact CD-CZ 4.22Å; F19-F23 HydrophobicContact CB-CD1 4.02Å; F19-F23 AromaticContact CD1-CD1 3.31Å; F19-F23 HydrophobicContact CD1-CD1 3.31Å; F19-F23 AromaticContact CD1-CE1 3.3Å; F19-F23 HydrophobicContact CD1-CE1 3.3Å; F19-F23 HydrophobicContact CD1-CG 4.25Å; F19-F23 HydrophobicContact CD1-CZ 4.23Å; F19-F23 AromaticContact CE1-CD1 3.96Å; F19-F23 HydrophobicContact CE1-CD1 3.96Å; F19-F23 AromaticContact CE1-CE1 3.42Å; F19-F23 HydrophobicContact CE1-CE1 3.42Å; F19-F23 VanDerWaalsContact CE1-CE1 3.42Å; F19-F23 HydrophobicContact CE1-CZ 4.08Å; F19-F23 AromaticContact CG-CD1 3.86Å; F19-F23 HydrophobicContact CG-CD1 3.86Å; F19-F23 HydrophobicContact CG-CE1 4.08Å; F19-F23 HydrophobicContact CZ-CE1 4.28Å; F19-L24 HydrophobicContact CB-CD1 4.48Å; F19-L24 HydrophobicContact CB-CD2 4.05Å; F19-L24 HydrophobicContact CB-CG 3.97Å; F19-L24 HydrophobicContact CD2-CD2 4.33Å; F19-L24 HydrophobicContact CG-CD2 4.36Å
20T86.7Confident82.3Confident44 Ų4485.1 Ų85.127%0.2744%0.435SS..EExtended strand (participates in β ladder)trans-81.1157.7170.958.10000111F9 T22 F23 L24F9-T20 HydrophobicContact CD1-CG2 4.49Å; T20-T22 PolarHBondContact O-N 3.38Å; T20-T22 PolarHBondContact OG1-OG1 3.27Å; T20-F23 PolarHBondContact O-N 2.82Å; T20-F23 VanDerWaalsContact O-N 3.1Å; T20-F23 WeakPolarHBondContact OG1-CB 3.47Å; T20-F23 PolarHBondContact OG1-N 2.94Å; T20-L24 PolarHBondContact O-N 3.35Å
21D83.3Confident83.4Confident56 Ų5680 Ų8030%0.29941%0.411SS..Hα-helixtrans-53-39.9169.6-80.6-5.5000112.7H10 H12 F23 L24 N25H10-D21 VanDerWaalsContact CB-OD2 3.23Å; H10-D21 WeakPolarHBondContact CB-OD2 3.5Å; H10-D21 IonicContact CD2-OD2 3.65Å; H10-D21 IonicContact CG-OD2 3.77Å; H10-D21 PolarHBondContact O-N 3.47Å; H12-D21 IonicContact CD2-OD1 3.35Å; H12-D21 PolarHBondContact CD2-OD1 3.49Å; H12-D21 IonicContact NE2-OD1 3.09Å; H12-D21 PolarHBondContact NE2-OD1 3.27Å; H12-D21 VanDerWaalsContact NE2-OD1 3.09Å; D21-F23 VanDerWaalsContact C-N 3.34Å; D21-F23 PolarHBondContact O-N 3.04Å; D21-L24 PolarHBondContact O-N 3.35Å; D21-N25 WeakPolarHBondContact O-CB 3.44Å; D21-N25 PolarHBondContact O-N 2.82Å; D21-N25 PolarHBondContact O-ND2 3.1Å; D21-N25 VanDerWaalsContact O-ND2 3.1Å
22T85.9Confident84Confident105 Ų10581.4 Ų81.464%0.64441%0.408SS*.Hα-helixtrans-60.6-43.9177.951.70000111.4T20 A26T20-T22 PolarHBondContact O-N 3.38Å; T20-T22 PolarHBondContact OG1-OG1 3.27Å; T22-A26 WeakPolarHBondContact O-CB 3.48Å; T22-A26 PolarHBondContact O-N 3.35Å
23F85.9Confident84.9Confident96 Ų9679.8 Ų79.842%0.42141%0.414SS..Hα-helixtrans-67.9-43.8176.9179.8-93.6000112F19 T20 D21 A26 T27F19-F23 HydrophobicContact CB-CD1 4.02Å; F19-F23 AromaticContact CD1-CD1 3.31Å; F19-F23 HydrophobicContact CD1-CD1 3.31Å; F19-F23 AromaticContact CD1-CE1 3.3Å; F19-F23 HydrophobicContact CD1-CE1 3.3Å; F19-F23 HydrophobicContact CD1-CG 4.25Å; F19-F23 HydrophobicContact CD1-CZ 4.23Å; F19-F23 AromaticContact CE1-CD1 3.96Å; F19-F23 HydrophobicContact CE1-CD1 3.96Å; F19-F23 AromaticContact CE1-CE1 3.42Å; F19-F23 HydrophobicContact CE1-CE1 3.42Å; F19-F23 VanDerWaalsContact CE1-CE1 3.42Å; F19-F23 HydrophobicContact CE1-CZ 4.08Å; F19-F23 AromaticContact CG-CD1 3.86Å; F19-F23 HydrophobicContact CG-CD1 3.86Å; F19-F23 HydrophobicContact CG-CE1 4.08Å; F19-F23 HydrophobicContact CZ-CE1 4.28Å; T20-F23 PolarHBondContact O-N 2.82Å; T20-F23 VanDerWaalsContact O-N 3.1Å; T20-F23 WeakPolarHBondContact OG1-CB 3.47Å; T20-F23 PolarHBondContact OG1-N 2.94Å; D21-F23 VanDerWaalsContact C-N 3.34Å; D21-F23 PolarHBondContact O-N 3.04Å; F23-A26 PolarHBondContact O-N 2.86Å; F23-T27 WeakPolarHBondContact CE1-OG1 3.49Å; F23-T27 VanDerWaalsContact O-CB 3.3Å; F23-T27 WeakPolarHBondContact O-CB 3.48Å; F23-T27 PolarHBondContact O-N 3.29Å; F23-T27 PolarHBondContact O-OG1 2.78Å
24L84.8Confident85.7Confident27 Ų2776.8 Ų76.814%0.14140%0.4CS..Hα-helixtrans-64.5-41.5178-73.2179.7000111.9H12 Y14 F19 T20 D21 T27 K28 L57H12-L24 HydrophobicContact CB-CD1 3.85Å; H12-L24 VanDerWaalsContact CD2-CD1 3.44Å; H12-L24 WeakPolarHBondContact CD2-CD1 3.3Å; Y14-L24 HydrophobicContact CE2-CD2 4.44Å; F19-L24 HydrophobicContact CB-CD1 4.48Å; F19-L24 HydrophobicContact CB-CD2 4.05Å; F19-L24 HydrophobicContact CB-CG 3.97Å; F19-L24 HydrophobicContact CD2-CD2 4.33Å; F19-L24 HydrophobicContact CG-CD2 4.36Å; T20-L24 PolarHBondContact O-N 3.35Å; D21-L24 PolarHBondContact O-N 3.35Å; L24-T27 PolarHBondContact O-N 3.42Å; L24-K28 VanDerWaalsContact O-CB 3.24Å; L24-K28 WeakPolarHBondContact O-CB 3.24Å; L24-K28 PolarHBondContact O-N 3Å; L24-L57 HydrophobicContact CD2-CD1 4.35Å
25N88.5Confident87Confident103 Ų10371.6 Ų71.655%0.55138%0.38SS*.Hα-helixtrans-66-42.5177.1-74.1-32.8000111.7D21 K28 A29D21-N25 WeakPolarHBondContact O-CB 3.44Å; D21-N25 PolarHBondContact O-N 2.82Å; D21-N25 PolarHBondContact O-ND2 3.1Å; D21-N25 VanDerWaalsContact O-ND2 3.1Å; N25-K28 PolarHBondContact O-N 2.96Å; N25-A29 WeakPolarHBondContact O-CB 3.32Å; N25-A29 PolarHBondContact O-N 2.62Å
26A89.5Confident88Confident61 Ų6173.4 Ų73.450%0.50438%0.379SS..Hα-helixtrans-62.4-43173.800000111.6T22 F23 A29 K30T22-A26 WeakPolarHBondContact O-CB 3.48Å; T22-A26 PolarHBondContact O-N 3.35Å; F23-A26 PolarHBondContact O-N 2.86Å; A26-A29 PolarHBondContact O-N 2.75Å; A26-K30 WeakPolarHBondContact O-CB 3.33Å; A26-K30 PolarHBondContact O-N 3.45Å
27T90.4Very high88.8Confident10 Ų1068.1 Ų68.16%0.06137%0.37CS..Hα-helixtrans-64.4-44.7177.1-58.20000111.3F23 L24 A29 K30 I31 I53 L57 I61F23-T27 WeakPolarHBondContact CE1-OG1 3.49Å; F23-T27 VanDerWaalsContact O-CB 3.3Å; F23-T27 WeakPolarHBondContact O-CB 3.48Å; F23-T27 PolarHBondContact O-N 3.29Å; F23-T27 PolarHBondContact O-OG1 2.78Å; L24-T27 PolarHBondContact O-N 3.42Å; T27-A29 VanDerWaalsContact C-N 3.35Å; T27-A29 PolarHBondContact O-N 3.1Å; T27-K30 PolarHBondContact O-N 3.4Å; T27-I31 HydrophobicContact CG2-CD1 3.95Å; T27-I31 WeakPolarHBondContact O-CG1 3.5Å; T27-I31 PolarHBondContact O-N 3.31Å; T27-I53 HydrophobicContact CG2-CD1 3.8Å; T27-I53 HydrophobicContact CG2-CG1 4.25Å; T27-I53 HydrophobicContact CG2-CG2 4.12Å; T27-L57 HydrophobicContact CG2-CD2 4.1Å; T27-I61 HydrophobicContact CG2-CD1 4.31Å
28K91.5Very high89.6Confident77 Ų7762.4 Ų62.434%0.33535%0.347SS..Hα-helixtrans-61.3-42.1175.3-176.1173.6-171.8175.10111.6L24 N25 R32 I61 L65L24-K28 VanDerWaalsContact O-CB 3.24Å; L24-K28 WeakPolarHBondContact O-CB 3.24Å; L24-K28 PolarHBondContact O-N 3Å; N25-K28 PolarHBondContact O-N 2.96Å; K28-R32 VanDerWaalsContact O-CB 3.27Å; K28-R32 WeakPolarHBondContact O-CB 3.22Å; K28-R32 PolarHBondContact O-N 3.34Å; K28-I61 HydrophobicContact CB-CG2 4.29Å; K28-I61 HydrophobicContact CG-CG2 3.93Å; K28-L65 HydrophobicContact CG-CD2 4.32Å
29A92.5Very high90.1Very high45 Ų4560.7 Ų60.737%0.37235%0.347SS..Hα-helixtrans-64.2-42.2175.400000111.9N25 A26 T27 R32 G33N25-A29 WeakPolarHBondContact O-CB 3.32Å; N25-A29 PolarHBondContact O-N 2.62Å; A26-A29 PolarHBondContact O-N 2.75Å; T27-A29 VanDerWaalsContact C-N 3.35Å; T27-A29 PolarHBondContact O-N 3.1Å; A29-R32 PolarHBondContact O-N 3.07Å; A29-G33 PolarHBondContact O-N 3.12Å
30K93.5Very high90.6Very high110 Ų11067.9 Ų67.948%0.47837%0.373SS..Hα-helixtrans-61.7-48.4175.9-172.7-179.7-178.5-170.20111.8A26 T27 G33 Y34 L51 I53A26-K30 WeakPolarHBondContact O-CB 3.33Å; A26-K30 PolarHBondContact O-N 3.45Å; T27-K30 PolarHBondContact O-N 3.4Å; K30-G33 PolarHBondContact O-N 3.36Å; K30-Y34 PolarHBondContact O-N 3.09Å; K30-L51 PolarHBondContact NZ-O 2.72Å; K30-I53 HydrophobicContact CD-CD1 4.36Å
31I93.7Very high90.9Very high0 Ų068.6 Ų68.60%038%0.378CS..Hα-helixtrans-61.1-50.4176.8-69.8166.7000110T27 G33 Y34 F35 L51 I53 I58 I61 V62 L65T27-I31 HydrophobicContact CG2-CD1 3.95Å; T27-I31 WeakPolarHBondContact O-CG1 3.5Å; T27-I31 PolarHBondContact O-N 3.31Å; I31-G33 VanDerWaalsContact C-N 3.35Å; I31-G33 PolarHBondContact O-N 3.42Å; I31-Y34 PolarHBondContact O-N 2.95Å; I31-F35 HydrophobicContact CG2-CD2 3.63Å; I31-F35 HydrophobicContact CG2-CE2 3.87Å; I31-F35 VanDerWaalsContact O-CD2 3.31Å; I31-F35 WeakPolarHBondContact O-CD2 3.4Å; I31-F35 PolarHBondContact O-N 3.22Å; I31-L51 HydrophobicContact CG1-CD1 4.44Å; I31-I53 HydrophobicContact CD1-CD1 4.06Å; I31-I53 HydrophobicContact CD1-CG2 4.43Å; I31-I53 HydrophobicContact CG1-CD1 3.75Å; I31-I58 HydrophobicContact CD1-CG1 4.07Å; I31-I58 HydrophobicContact CG1-CG1 4.43Å; I31-I61 HydrophobicContact CB-CG2 4.2Å; I31-I61 HydrophobicContact CD1-CB 3.96Å; I31-I61 HydrophobicContact CD1-CD1 3.58Å; I31-I61 HydrophobicContact CD1-CG1 4.34Å; I31-I61 HydrophobicContact CD1-CG2 3.91Å; I31-I61 HydrophobicContact CG2-CG2 3.92Å; I31-V62 HydrophobicContact CG2-CG2 3.74Å; I31-L65 HydrophobicContact CG2-CD1 4.3Å
32R92.5Very high91.3Very high109 Ų10967.6 Ų67.641%0.41137%0.374SS..Hα-helixtrans-55.7-50.2177.5-176.4-179.363.5-177.4-0.7111.1K28 A29 Y34 F35 T36 L65K28-R32 VanDerWaalsContact O-CB 3.27Å; K28-R32 WeakPolarHBondContact O-CB 3.22Å; K28-R32 PolarHBondContact O-N 3.34Å; A29-R32 PolarHBondContact O-N 3.07Å; R32-Y34 VanDerWaalsContact C-N 3.3Å; R32-Y34 PolarHBondContact O-N 2.97Å; R32-F35 PolarHBondContact O-N 2.86Å; R32-T36 VanDerWaalsContact O-CB 3.27Å; R32-T36 WeakPolarHBondContact O-CB 3.42Å; R32-T36 PolarHBondContact O-N 3.24Å; R32-T36 PolarHBondContact O-OG1 3.07Å; R32-L65 HydrophobicContact CB-CD1 3.86Å; R32-L65 HydrophobicContact CG-CD1 4.42Å
33G93.6Very high91.6Very high51 Ų5165.7 Ų65.753%0.52636%0.36SS..Hα-helixtrans-57.2-42.117900000112.8A29 K30 I31 G37A29-G33 PolarHBondContact O-N 3.12Å; K30-G33 PolarHBondContact O-N 3.36Å; I31-G33 VanDerWaalsContact C-N 3.35Å; I31-G33 PolarHBondContact O-N 3.42Å; G33-G37 PolarHBondContact O-N 3.35Å
34Y94.8Very high91.8Very high60 Ų6061.1 Ų61.124%0.23534%0.34CS..Hα-helixtrans-62.3-58.7175.1-173.6-88.4000111.5K30 I31 R32 T36 G37 V38 V47 K50 L51K30-Y34 PolarHBondContact O-N 3.09Å; I31-Y34 PolarHBondContact O-N 2.95Å; R32-Y34 VanDerWaalsContact C-N 3.3Å; R32-Y34 PolarHBondContact O-N 2.97Å; Y34-T36 VanDerWaalsContact C-N 3.33Å; Y34-T36 PolarHBondContact O-N 2.91Å; Y34-G37 PolarHBondContact O-N 3.32Å; Y34-V38 HydrophobicContact CD1-CG2 3.88Å; Y34-V38 HydrophobicContact CE1-CG2 3.62Å; Y34-V38 WeakPolarHBondContact O-CG2 3.49Å; Y34-V38 PolarHBondContact O-N 2.9Å; Y34-V47 HydrophobicContact CD1-CG1 3.61Å; Y34-V47 HydrophobicContact CD1-CG2 4.34Å; Y34-V47 HydrophobicContact CE1-CB 4.14Å; Y34-V47 HydrophobicContact CE1-CG1 3.48Å; Y34-V47 VanDerWaalsContact CE1-CG1 3.48Å; Y34-V47 HydrophobicContact CE1-CG2 3.47Å; Y34-V47 VanDerWaalsContact CE1-CG2 3.47Å; Y34-V47 HydrophobicContact CG-CG1 4.31Å; Y34-K50 HydrophobicContact CE2-CD 4.02Å; Y34-L51 HydrophobicContact CD2-CD1 4.44Å; Y34-L51 HydrophobicContact CD2-CD2 3.84Å; Y34-L51 HydrophobicContact CD2-CG 4.44Å; Y34-L51 HydrophobicContact CE2-CD2 4.42Å; Y34-L51 HydrophobicContact CG-CD1 4.09Å; Y34-L51 HydrophobicContact CG-CD2 4.28Å
35F94.7Very high92.1Very high2 Ų261.8 Ų61.81%0.00935%0.347CS..Hα-helixtrans-69.1-27.8-172.9-77.8-80.8000113.7I31 R32 G37 V38 V42 L44 V47 I58 V62 L71 F82I31-F35 HydrophobicContact CG2-CD2 3.63Å; I31-F35 HydrophobicContact CG2-CE2 3.87Å; I31-F35 VanDerWaalsContact O-CD2 3.31Å; I31-F35 WeakPolarHBondContact O-CD2 3.4Å; I31-F35 PolarHBondContact O-N 3.22Å; R32-F35 PolarHBondContact O-N 2.86Å; F35-G37 VanDerWaalsContact C-N 3.25Å; F35-G37 PolarHBondContact O-N 3.25Å; F35-V38 PolarHBondContact O-N 3.47Å; F35-V42 HydrophobicContact CD1-CG2 4.32Å; F35-V42 HydrophobicContact CE1-CG2 3.81Å; F35-L44 HydrophobicContact CE1-CD2 3.61Å; F35-L44 HydrophobicContact CE2-CD2 4.44Å; F35-L44 HydrophobicContact CZ-CD2 3.36Å; F35-V47 HydrophobicContact CE1-CG2 4.38Å; F35-V47 HydrophobicContact CE2-CG1 3.8Å; F35-V47 HydrophobicContact CZ-CB 4.04Å; F35-V47 HydrophobicContact CZ-CG1 3.71Å; F35-V47 HydrophobicContact CZ-CG2 4.07Å; F35-I58 HydrophobicContact CE2-CG2 3.95Å; F35-I58 HydrophobicContact CZ-CG2 4.08Å; F35-V62 HydrophobicContact CD2-CG2 3.72Å; F35-V62 HydrophobicContact CE1-CG2 4.43Å; F35-V62 HydrophobicContact CE2-CG2 3.5Å; F35-V62 VanDerWaalsContact CE2-CG2 3.5Å; F35-V62 HydrophobicContact CG-CG2 4.31Å; F35-V62 HydrophobicContact CZ-CG2 3.89Å; F35-L71 HydrophobicContact CB-CD1 3.72Å; F35-L71 HydrophobicContact CB-CD2 3.72Å; F35-L71 HydrophobicContact CB-CG 4.38Å; F35-L71 HydrophobicContact CG-CD2 4.28Å; F35-F82 HydrophobicContact CB-CE1 4.45Å; F35-F82 HydrophobicContact CD1-CB 4.17Å; F35-F82 AromaticContact CD1-CD1 3.48Å; F35-F82 HydrophobicContact CD1-CD1 3.48Å; F35-F82 VanDerWaalsContact CD1-CD1 3.48Å; F35-F82 HydrophobicContact CD1-CD2 4.45Å; F35-F82 AromaticContact CD1-CE1 3.89Å; F35-F82 HydrophobicContact CD1-CE1 3.89Å; F35-F82 AromaticContact CD1-CG 3.78Å; F35-F82 HydrophobicContact CD1-CG 3.78Å; F35-F82 HydrophobicContact CE1-CB 3.83Å; F35-F82 AromaticContact CE1-CD1 3.99Å; F35-F82 HydrophobicContact CE1-CD1 3.99Å; F35-F82 AromaticContact CE1-CG 3.97Å; F35-F82 HydrophobicContact CE1-CG 3.97Å
36T92.3Very high92.1Very high95 Ų9560.4 Ų60.458%0.58335%0.346SS*.Hα-helixtrans-63.9-31.5170.6-630000111.9R32 Y34R32-T36 VanDerWaalsContact O-CB 3.27Å; R32-T36 WeakPolarHBondContact O-CB 3.42Å; R32-T36 PolarHBondContact O-N 3.24Å; R32-T36 PolarHBondContact O-OG1 3.07Å; Y34-T36 VanDerWaalsContact C-N 3.33Å; Y34-T36 PolarHBondContact O-N 2.91Å
37G92.1Very high92.3Very high59 Ų5957.6 Ų57.661%0.60832%0.322SS*.THydrogen-bonded Turntrans-86.3-5.5178.300000114.8G33 Y34 F35G33-G37 PolarHBondContact O-N 3.35Å; Y34-G37 PolarHBondContact O-N 3.32Å; F35-G37 VanDerWaalsContact C-N 3.25Å; F35-G37 PolarHBondContact O-N 3.25Å
38V93.2Very high92.3Very high15 Ų1557.6 Ų57.69%0.09132%0.323CS..  trans-79.6126-179.3176.10000109.9Y34 F35 R40 V42 P84Y34-V38 HydrophobicContact CD1-CG2 3.88Å; Y34-V38 HydrophobicContact CE1-CG2 3.62Å; Y34-V38 WeakPolarHBondContact O-CG2 3.49Å; Y34-V38 PolarHBondContact O-N 2.9Å; F35-V38 PolarHBondContact O-N 3.47Å; V38-R40 WeakPolarHBondContact CG1-O 2.96Å; V38-V42 HydrophobicContact CG1-CB 4.39Å; V38-V42 HydrophobicContact CG1-CG1 3.6Å; V38-V42 HydrophobicContact CG1-CG2 3.91Å; V38-V42 HydrophobicContact CG2-CG1 4.39Å; V38-V42 HydrophobicContact CG2-CG2 4.38Å; V38-P84 HydrophobicContact CB-CG 4.26Å; V38-P84 HydrophobicContact CG1-CG 3.69Å; V38-P84 WeakPolarHBondContact O-CB 3.3Å; V38-P84 WeakPolarHBondContact O-CG 3.16Å
39I93.2Very high92.3Very high120 Ų12058 Ų5862%0.61534%0.336SS*.  trans-111.3-0.9179.460.1163.6000114.1Y87I39-Y87 WeakPolarHBondContact O-CD2 3.37Å
40R91Very high92.3Very high181 Ų18162.8 Ų62.868%0.68335%0.348SS*.SBendtrans-134.6157.2179.1-71.3-177.7-178.8174.6-0.2110.1V38 V42 Y87V38-R40 WeakPolarHBondContact CG1-O 2.96Å; R40-V42 PolarHBondContact O-N 2.71Å; R40-Y87 HydrophobicContact CG-CD2 4.29Å; R40-Y87 HydrophobicContact CG-CE2 4.32Å
41P91.3Very high92.2Very high58 Ų5858.4 Ų58.438%0.37733%0.33SS..  trans-53.8134.2174.9-26.535000111.9F82 V83 Y87P41-F82 WeakPolarHBondContact CA-O 2.92Å; P41-V83 HydrophobicContact CB-CG2 4.28Å; P41-V83 HydrophobicContact CG-CG1 4.37Å; P41-V83 HydrophobicContact CG-CG2 4.38Å; P41-Y87 HydrophobicContact CG-CD1 3.81Å; P41-Y87 HydrophobicContact CG-CE1 3.57Å; P41-Y87 HydrophobicContact CG-CE2 4.38Å; P41-Y87 HydrophobicContact CG-CG 4.32Å
42V92.6Very high92Very high35 Ų3566.9 Ų66.921%0.21237%0.369CS..EExtended strand (participates in β ladder)trans-129.9142.5178.4-68.10000111.1F35 V38 R40 V47 G81 F82F35-V42 HydrophobicContact CD1-CG2 4.32Å; F35-V42 HydrophobicContact CE1-CG2 3.81Å; V38-V42 HydrophobicContact CG1-CB 4.39Å; V38-V42 HydrophobicContact CG1-CG1 3.6Å; V38-V42 HydrophobicContact CG1-CG2 3.91Å; V38-V42 HydrophobicContact CG2-CG1 4.39Å; V38-V42 HydrophobicContact CG2-CG2 4.38Å; R40-V42 PolarHBondContact O-N 2.71Å; V42-V47 HydrophobicContact CB-CG2 4.2Å; V42-V47 HydrophobicContact CG2-CG2 4.12Å; V42-G81 CarbonylContact O-C 3.58Å; V42-G81 WeakPolarHBondContact O-CA 3.48Å; V42-F82 HydrophobicContact CG2-CB 4.12Å; V42-F82 HydrophobicContact CG2-CD1 4.17Å; V42-F82 PolarHBondContact N-O 3.01Å; V42-F82 PolarHBondContact O-N 2.96Å
43N91.9Very high91.8Very high65 Ų6562.5 Ų62.535%0.34835%0.354SS..EExtended strand (participates in β ladder)trans-80.7129171.6-177.4-57000109.8S45 S46 V47N43-S45 VanDerWaalsContact C-N 3.31Å; N43-S45 PolarHBondContact O-N 2.81Å; N43-S45 WeakPolarHBondContact OD1-CA 3.29Å; N43-S45 WeakPolarHBondContact OD1-CB 3.19Å; N43-S45 PolarHBondContact OD1-N 2.81Å; N43-S45 PolarHBondContact OD1-OG 2.9Å; N43-S45 VanDerWaalsContact OD1-OG 3.07Å; N43-S46 WeakPolarHBondContact O-CB 3.34Å; N43-S46 PolarHBondContact O-N 2.88Å; N43-S46 PolarHBondContact OD1-N 2.93Å; N43-V47 WeakPolarHBondContact O-CG2 3.25Å; N43-V47 PolarHBondContact O-N 3.44Å; N43-V47 VanDerWaalsContact O-N 3.13Å
44L91.1Very high91.6Very high0 Ų063.5 Ų63.50%035%0.351CS..Hα-helixtrans-63.7-34.6-178.2-64.6176.8000112.3F35 S46 V47 A48 I58 N59 V62 L75 S80 F82F35-L44 HydrophobicContact CE1-CD2 3.61Å; F35-L44 HydrophobicContact CE2-CD2 4.44Å; F35-L44 HydrophobicContact CZ-CD2 3.36Å; L44-S46 VanDerWaalsContact C-N 3.34Å; L44-V47 CarbonylContact O-C 3.43Å; L44-V47 PolarHBondContact O-N 3.38Å; L44-A48 WeakPolarHBondContact O-CB 3.26Å; L44-A48 PolarHBondContact O-N 2.94Å; L44-I58 HydrophobicContact CD2-CG2 4.07Å; L44-N59 WeakPolarHBondContact CD1-OD1 3.45Å; L44-V62 HydrophobicContact CD2-CG2 4.41Å; L44-L75 HydrophobicContact CD1-CD2 3.82Å; L44-L75 HydrophobicContact CD2-CD2 4.4Å; L44-L75 HydrophobicContact CG-CD2 4.46Å; L44-S80 WeakPolarHBondContact CB-O 3.36Å; L44-S80 WeakPolarHBondContact CG-O 3.44Å; L44-S80 PolarHBondContact N-O 3.37Å; L44-F82 HydrophobicContact CD2-CB 4.1Å
45S89.4Confident91.2Very high42 Ų4263.9 Ų63.929%0.29436%0.355SS..Hα-helixtrans-63.3-40.5175.3-35.90000111.1N43 V47 A48 S49 E55N43-S45 VanDerWaalsContact C-N 3.31Å; N43-S45 PolarHBondContact O-N 2.81Å; N43-S45 WeakPolarHBondContact OD1-CA 3.29Å; N43-S45 WeakPolarHBondContact OD1-CB 3.19Å; N43-S45 PolarHBondContact OD1-N 2.81Å; N43-S45 PolarHBondContact OD1-OG 2.9Å; N43-S45 VanDerWaalsContact OD1-OG 3.07Å; S45-V47 VanDerWaalsContact C-N 3.31Å; S45-V47 PolarHBondContact O-N 3.29Å; S45-A48 WeakPolarHBondContact O-CB 3.32Å; S45-A48 PolarHBondContact O-N 3.03Å; S45-S49 PolarHBondContact O-N 3.35Å; S45-S49 VanDerWaalsContact O-N 3.13Å; S45-S49 PolarHBondContact O-OG 3.31Å; S45-E55 WeakPolarHBondContact CB-OE1 3.38Å; S45-E55 VanDerWaalsContact OG-CD 3.25Å; S45-E55 PolarHBondContact OG-OE1 3.31Å; S45-E55 PolarHBondContact OG-OE2 2.78Å
46S90.3Very high90.7Very high74 Ų7470.2 Ų70.252%0.51739%0.389SS..Hα-helixtrans-66-33.3173.7-540000112.5N43 L44 S49 K50N43-S46 WeakPolarHBondContact O-CB 3.34Å; N43-S46 PolarHBondContact O-N 2.88Å; N43-S46 PolarHBondContact OD1-N 2.93Å; L44-S46 VanDerWaalsContact C-N 3.34Å; S46-S49 PolarHBondContact O-OG 3.17Å; S46-K50 WeakPolarHBondContact O-CB 3.43Å; S46-K50 PolarHBondContact O-N 2.97Å
47V92.7Very high90.4Very high2 Ų266 Ų661%0.01236%0.363CS..Hα-helixtrans-75.5-36175.6-179.20000111.1Y34 F35 V42 N43 L44 S45 K50 L51 I58Y34-V47 HydrophobicContact CD1-CG1 3.61Å; Y34-V47 HydrophobicContact CD1-CG2 4.34Å; Y34-V47 HydrophobicContact CE1-CB 4.14Å; Y34-V47 HydrophobicContact CE1-CG1 3.48Å; Y34-V47 VanDerWaalsContact CE1-CG1 3.48Å; Y34-V47 HydrophobicContact CE1-CG2 3.47Å; Y34-V47 VanDerWaalsContact CE1-CG2 3.47Å; Y34-V47 HydrophobicContact CG-CG1 4.31Å; F35-V47 HydrophobicContact CE1-CG2 4.38Å; F35-V47 HydrophobicContact CE2-CG1 3.8Å; F35-V47 HydrophobicContact CZ-CB 4.04Å; F35-V47 HydrophobicContact CZ-CG1 3.71Å; F35-V47 HydrophobicContact CZ-CG2 4.07Å; V42-V47 HydrophobicContact CB-CG2 4.2Å; V42-V47 HydrophobicContact CG2-CG2 4.12Å; N43-V47 WeakPolarHBondContact O-CG2 3.25Å; N43-V47 PolarHBondContact O-N 3.44Å; N43-V47 VanDerWaalsContact O-N 3.13Å; L44-V47 CarbonylContact O-C 3.43Å; L44-V47 PolarHBondContact O-N 3.38Å; S45-V47 VanDerWaalsContact C-N 3.31Å; S45-V47 PolarHBondContact O-N 3.29Å; V47-K50 PolarHBondContact O-N 3.49Å; V47-L51 HydrophobicContact CG1-CD1 3.61Å; V47-L51 HydrophobicContact CG1-CG 3.94Å; V47-L51 WeakPolarHBondContact O-CB 3.41Å; V47-L51 WeakPolarHBondContact O-CG 3.23Å; V47-L51 PolarHBondContact O-N 3.07Å; V47-I58 HydrophobicContact CG1-CD1 4.21Å
48A91.1Very high90.3Very high9 Ų963.2 Ų63.27%0.07433%0.334CS..Hα-helixtrans-59.6-47.9176.800000111.8L44 S45 Q52 I53 E55 I58L44-A48 WeakPolarHBondContact O-CB 3.26Å; L44-A48 PolarHBondContact O-N 2.94Å; S45-A48 WeakPolarHBondContact O-CB 3.32Å; S45-A48 PolarHBondContact O-N 3.03Å; A48-Q52 WeakPolarHBondContact O-CA 3.23Å; A48-Q52 PolarHBondContact O-N 3.41Å; A48-I53 WeakPolarHBondContact CB-O 3.27Å; A48-I53 PolarHBondContact O-N 2.96Å; A48-I53 VanDerWaalsContact O-N 3.07Å; A48-E55 HydrophobicContact CB-CB 3.92Å; A48-E55 HydrophobicContact CB-CG 4.36Å; A48-I58 VanDerWaalsContact CA-CD1 3.42Å; A48-I58 HydrophobicContact CB-CD1 3.9Å
49S91.1Very high90.2Very high86 Ų8664.5 Ų64.560%0.60134%0.341SS*.Hα-helixtrans-63.3-43.4174.261.30000111.9S45 S46 Q52S45-S49 PolarHBondContact O-N 3.35Å; S45-S49 VanDerWaalsContact O-N 3.13Å; S45-S49 PolarHBondContact O-OG 3.31Å; S46-S49 PolarHBondContact O-OG 3.17Å; S49-Q52 PolarHBondContact O-N 2.85Å
50K92.3Very high89.9Confident145 Ų14561.1 Ų61.163%0.6333%0.328SS*.Hα-helixtrans-65.2-40.9-179.6-173.7172.4-178.3177.60113.7Y34 S46 V47 Q52Y34-K50 HydrophobicContact CE2-CD 4.02Å; S46-K50 WeakPolarHBondContact O-CB 3.43Å; S46-K50 PolarHBondContact O-N 2.97Å; V47-K50 PolarHBondContact O-N 3.49Å; K50-Q52 VanDerWaalsContact C-N 3.33Å
51L92Very high89.8Confident18 Ų1853.3 Ų53.39%0.09430%0.299CS..Hα-helixtrans-86.7-7.6179.9-61.9-178.1000113.1K30 I31 Y34 V47 I53 I58K30-L51 PolarHBondContact NZ-O 2.72Å; I31-L51 HydrophobicContact CG1-CD1 4.44Å; Y34-L51 HydrophobicContact CD2-CD1 4.44Å; Y34-L51 HydrophobicContact CD2-CD2 3.84Å; Y34-L51 HydrophobicContact CD2-CG 4.44Å; Y34-L51 HydrophobicContact CE2-CD2 4.42Å; Y34-L51 HydrophobicContact CG-CD1 4.09Å; Y34-L51 HydrophobicContact CG-CD2 4.28Å; V47-L51 HydrophobicContact CG1-CD1 3.61Å; V47-L51 HydrophobicContact CG1-CG 3.94Å; V47-L51 WeakPolarHBondContact O-CB 3.41Å; V47-L51 WeakPolarHBondContact O-CG 3.23Å; V47-L51 PolarHBondContact O-N 3.07Å; L51-I53 VanDerWaalsContact C-N 3.31Å; L51-I53 HydrophobicContact CB-CD1 3.73Å; L51-I53 HydrophobicContact CB-CG1 4.03Å; L51-I53 HydrophobicContact CD1-CD1 4.21Å; L51-I58 HydrophobicContact CD1-CD1 4.38Å
52Q89.7Confident89.9Confident179 Ų17950.5 Ų50.584%0.83628%0.281SS*.THydrogen-bonded Turntrans55.442.7-172.4-59.1179.3-2.900112.4A48 S49 K50A48-Q52 WeakPolarHBondContact O-CA 3.23Å; A48-Q52 PolarHBondContact O-N 3.41Å; S49-Q52 PolarHBondContact O-N 2.85Å; K50-Q52 VanDerWaalsContact C-N 3.33Å
53I88.6Confident89.9Confident17 Ų1751.3 Ų51.39%0.08729%0.288CS..  trans-118.4136.8-179.8-60.8166.2000108.1T27 K30 I31 A48 L51 E55 L57 I58T27-I53 HydrophobicContact CG2-CD1 3.8Å; T27-I53 HydrophobicContact CG2-CG1 4.25Å; T27-I53 HydrophobicContact CG2-CG2 4.12Å; K30-I53 HydrophobicContact CD-CD1 4.36Å; I31-I53 HydrophobicContact CD1-CD1 4.06Å; I31-I53 HydrophobicContact CD1-CG2 4.43Å; I31-I53 HydrophobicContact CG1-CD1 3.75Å; A48-I53 WeakPolarHBondContact CB-O 3.27Å; A48-I53 PolarHBondContact O-N 2.96Å; A48-I53 VanDerWaalsContact O-N 3.07Å; L51-I53 VanDerWaalsContact C-N 3.31Å; L51-I53 HydrophobicContact CB-CD1 3.73Å; L51-I53 HydrophobicContact CB-CG1 4.03Å; L51-I53 HydrophobicContact CD1-CD1 4.21Å; I53-E55 PolarHBondContact O-N 3.07Å; I53-L57 HydrophobicContact CG2-CB 4.15Å; I53-L57 HydrophobicContact CG2-CD2 4.01Å; I53-L57 HydrophobicContact CG2-CG 4.32Å; I53-I58 HydrophobicContact CB-CD1 4.04Å; I53-I58 HydrophobicContact CB-CG1 3.9Å; I53-I58 HydrophobicContact CG2-CD1 4.37Å; I53-I58 HydrophobicContact CG2-CG1 3.66Å
54P88Confident89.8Confident72 Ų7250.3 Ų50.347%0.46829%0.286SS..  trans-53.6133.2175-25.634.4000112.1N56 L57 I58P54-N56 VanDerWaalsContact C-N 3.26Å; P54-N56 PolarHBondContact O-N 3.27Å; P54-L57 HydrophobicContact CB-CB 4.39Å; P54-L57 WeakPolarHBondContact O-CA 3.33Å; P54-L57 WeakPolarHBondContact O-CB 3.46Å; P54-L57 PolarHBondContact O-N 3.23Å; P54-I58 PolarHBondContact O-N 3.33Å; P54-I58 VanDerWaalsContact O-N 3.09Å
55E86.9Confident89.9Confident68 Ų6850.4 Ų50.432%0.31829%0.287SS..Hα-helixtrans-59.2-35.8-174.5-175.8171.5-178.900113S45 A48 I53 L57 I58 N59S45-E55 WeakPolarHBondContact CB-OE1 3.38Å; S45-E55 VanDerWaalsContact OG-CD 3.25Å; S45-E55 PolarHBondContact OG-OE1 3.31Å; S45-E55 PolarHBondContact OG-OE2 2.78Å; A48-E55 HydrophobicContact CB-CB 3.92Å; A48-E55 HydrophobicContact CB-CG 4.36Å; I53-E55 PolarHBondContact O-N 3.07Å; E55-L57 VanDerWaalsContact C-N 3.28Å; E55-L57 PolarHBondContact O-N 3.46Å; E55-I58 PolarHBondContact O-N 3.13Å; E55-N59 WeakPolarHBondContact CG-ND2 3.31Å; E55-N59 WeakPolarHBondContact O-CB 3.34Å; E55-N59 PolarHBondContact O-N 3.01Å; E55-N59 PolarHBondContact O-ND2 2.84Å
56N84.6Confident90.2Very high135 Ų13550.3 Ų50.372%0.72228%0.282SS*.Hα-helixtrans-60.7-38.3174.9-66.6-18.1000112.2P54 S60P54-N56 VanDerWaalsContact C-N 3.26Å; P54-N56 PolarHBondContact O-N 3.27Å; N56-S60 WeakPolarHBondContact O-CB 3.33Å; N56-S60 PolarHBondContact O-N 3.21Å; N56-S60 PolarHBondContact O-OG 3.4Å
57L85.9Confident90.3Very high6 Ų651.4 Ų51.43%0.03129%0.29CS..Hα-helixtrans-73.7-35.8178.7-170.664.5000111Y14 L24 T27 I53 P54 E55 S60 I61Y14-L57 HydrophobicContact CD1-CD1 4.36Å; Y14-L57 HydrophobicContact CE1-CD1 3.88Å; Y14-L57 HydrophobicContact CE2-CD1 4.3Å; L24-L57 HydrophobicContact CD2-CD1 4.35Å; T27-L57 HydrophobicContact CG2-CD2 4.1Å; I53-L57 HydrophobicContact CG2-CB 4.15Å; I53-L57 HydrophobicContact CG2-CD2 4.01Å; I53-L57 HydrophobicContact CG2-CG 4.32Å; P54-L57 HydrophobicContact CB-CB 4.39Å; P54-L57 WeakPolarHBondContact O-CA 3.33Å; P54-L57 WeakPolarHBondContact O-CB 3.46Å; P54-L57 PolarHBondContact O-N 3.23Å; E55-L57 VanDerWaalsContact C-N 3.28Å; E55-L57 PolarHBondContact O-N 3.46Å; L57-S60 PolarHBondContact O-OG 3.42Å; L57-S60 VanDerWaalsContact O-OG 3.12Å; L57-I61 HydrophobicContact CD1-CD1 3.92Å; L57-I61 HydrophobicContact CD1-CG1 4.36Å; L57-I61 HydrophobicContact CG-CD1 3.79Å; L57-I61 VanDerWaalsContact O-CB 3.29Å; L57-I61 WeakPolarHBondContact O-CB 3.41Å; L57-I61 WeakPolarHBondContact O-CD1 3.33Å; L57-I61 WeakPolarHBondContact O-CG1 3.16Å; L57-I61 PolarHBondContact O-N 2.78Å; L57-I61 VanDerWaalsContact O-N 3.07Å
58I90.2Very high90.3Very high0 Ų055 Ų550%031%0.312CS..Hα-helixtrans-63.9-50.3171.3-66.1-162.4000110.7I31 F35 L44 V47 A48 L51 I53 P54 E55 S60 I61 V62I31-I58 HydrophobicContact CD1-CG1 4.07Å; I31-I58 HydrophobicContact CG1-CG1 4.43Å; F35-I58 HydrophobicContact CE2-CG2 3.95Å; F35-I58 HydrophobicContact CZ-CG2 4.08Å; L44-I58 HydrophobicContact CD2-CG2 4.07Å; V47-I58 HydrophobicContact CG1-CD1 4.21Å; A48-I58 VanDerWaalsContact CA-CD1 3.42Å; A48-I58 HydrophobicContact CB-CD1 3.9Å; L51-I58 HydrophobicContact CD1-CD1 4.38Å; I53-I58 HydrophobicContact CB-CD1 4.04Å; I53-I58 HydrophobicContact CB-CG1 3.9Å; I53-I58 HydrophobicContact CG2-CD1 4.37Å; I53-I58 HydrophobicContact CG2-CG1 3.66Å; P54-I58 PolarHBondContact O-N 3.33Å; P54-I58 VanDerWaalsContact O-N 3.09Å; E55-I58 PolarHBondContact O-N 3.13Å; I58-S60 VanDerWaalsContact C-N 3.35Å; I58-S60 PolarHBondContact O-N 3.25Å; I58-I61 PolarHBondContact O-N 2.91Å; I58-V62 HydrophobicContact CG2-CG2 3.84Å; I58-V62 VanDerWaalsContact O-CB 3.32Å; I58-V62 WeakPolarHBondContact O-CB 3.31Å; I58-V62 VanDerWaalsContact O-CG2 3.23Å; I58-V62 WeakPolarHBondContact O-CG2 3.48Å; I58-V62 PolarHBondContact O-N 3.01Å
59N89.4Confident90.3Very high43 Ų4356.3 Ų56.323%0.2333%0.327CS..Hα-helixtrans-55.8-48.3180-86.9-70.8000111.8L44 E55 S63L44-N59 WeakPolarHBondContact CD1-OD1 3.45Å; E55-N59 WeakPolarHBondContact CG-ND2 3.31Å; E55-N59 WeakPolarHBondContact O-CB 3.34Å; E55-N59 PolarHBondContact O-N 3.01Å; E55-N59 PolarHBondContact O-ND2 2.84Å; N59-S63 VanDerWaalsContact O-CB 3.26Å; N59-S63 WeakPolarHBondContact O-CB 3.38Å; N59-S63 PolarHBondContact O-N 3.41Å; N59-S63 PolarHBondContact O-OG 3.4Å
60S87.7Confident90.4Very high49 Ų4960.1 Ų60.134%0.34333%0.328SS..Hα-helixtrans-65.1-43.5-179.568.40000112.1N56 L57 I58 S64N56-S60 WeakPolarHBondContact O-CB 3.33Å; N56-S60 PolarHBondContact O-N 3.21Å; N56-S60 PolarHBondContact O-OG 3.4Å; L57-S60 PolarHBondContact O-OG 3.42Å; L57-S60 VanDerWaalsContact O-OG 3.12Å; I58-S60 VanDerWaalsContact C-N 3.35Å; I58-S60 PolarHBondContact O-N 3.25Å; S60-S64 VanDerWaalsContact O-CB 3.32Å; S60-S64 WeakPolarHBondContact O-CB 3.45Å; S60-S64 PolarHBondContact O-N 3.26Å
61I90Very high90.4Very high16 Ų1653.5 Ų53.58%0.08230%0.3CS..Hα-helixtrans-69.3-44.5179.8-68.9173.2000111.2T27 K28 I31 L57 I58 S64 L65T27-I61 HydrophobicContact CG2-CD1 4.31Å; K28-I61 HydrophobicContact CB-CG2 4.29Å; K28-I61 HydrophobicContact CG-CG2 3.93Å; I31-I61 HydrophobicContact CB-CG2 4.2Å; I31-I61 HydrophobicContact CD1-CB 3.96Å; I31-I61 HydrophobicContact CD1-CD1 3.58Å; I31-I61 HydrophobicContact CD1-CG1 4.34Å; I31-I61 HydrophobicContact CD1-CG2 3.91Å; I31-I61 HydrophobicContact CG2-CG2 3.92Å; L57-I61 HydrophobicContact CD1-CD1 3.92Å; L57-I61 HydrophobicContact CD1-CG1 4.36Å; L57-I61 HydrophobicContact CG-CD1 3.79Å; L57-I61 VanDerWaalsContact O-CB 3.29Å; L57-I61 WeakPolarHBondContact O-CB 3.41Å; L57-I61 WeakPolarHBondContact O-CD1 3.33Å; L57-I61 WeakPolarHBondContact O-CG1 3.16Å; L57-I61 PolarHBondContact O-N 2.78Å; L57-I61 VanDerWaalsContact O-N 3.07Å; I58-I61 PolarHBondContact O-N 2.91Å; I61-S64 PolarHBondContact O-N 2.91Å; I61-L65 HydrophobicContact CG2-CD1 3.79Å; I61-L65 HydrophobicContact CG2-CG 4.16Å; I61-L65 WeakPolarHBondContact O-CB 3.12Å; I61-L65 VanDerWaalsContact O-CG 3.23Å; I61-L65 WeakPolarHBondContact O-CG 3.15Å; I61-L65 PolarHBondContact O-N 2.77Å
62V93.2Very high90.4Very high0 Ų060.3 Ų60.30%033%0.325CS..Hα-helixtrans-62-45.9177.7171.60000110.3I31 F35 L44 I58 S64 L65 I66 L71 L75 F82I31-V62 HydrophobicContact CG2-CG2 3.74Å; F35-V62 HydrophobicContact CD2-CG2 3.72Å; F35-V62 HydrophobicContact CE1-CG2 4.43Å; F35-V62 HydrophobicContact CE2-CG2 3.5Å; F35-V62 VanDerWaalsContact CE2-CG2 3.5Å; F35-V62 HydrophobicContact CG-CG2 4.31Å; F35-V62 HydrophobicContact CZ-CG2 3.89Å; L44-V62 HydrophobicContact CD2-CG2 4.41Å; I58-V62 HydrophobicContact CG2-CG2 3.84Å; I58-V62 VanDerWaalsContact O-CB 3.32Å; I58-V62 WeakPolarHBondContact O-CB 3.31Å; I58-V62 VanDerWaalsContact O-CG2 3.23Å; I58-V62 WeakPolarHBondContact O-CG2 3.48Å; I58-V62 PolarHBondContact O-N 3.01Å; V62-S64 VanDerWaalsContact C-N 3.33Å; V62-S64 PolarHBondContact O-N 2.87Å; V62-L65 PolarHBondContact O-N 3.47Å; V62-I66 HydrophobicContact CG1-CD1 3.87Å; V62-I66 WeakPolarHBondContact O-CG1 3.27Å; V62-I66 PolarHBondContact O-N 2.95Å; V62-L71 HydrophobicContact CG1-CD2 3.98Å; V62-L75 HydrophobicContact CG1-CD1 4.33Å; V62-L75 HydrophobicContact CG1-CD2 3.84Å; V62-L75 HydrophobicContact CG1-CG 4.32Å; V62-F82 HydrophobicContact CG1-CD2 4.16Å
63S91Very high90.6Very high52 Ų5252.1 Ų52.136%0.36429%0.289SS..Hα-helixtrans-58.6-45175.7-57.70000111.7N59 I66 S67 L75N59-S63 VanDerWaalsContact O-CB 3.26Å; N59-S63 WeakPolarHBondContact O-CB 3.38Å; N59-S63 PolarHBondContact O-N 3.41Å; N59-S63 PolarHBondContact O-OG 3.4Å; S63-I66 PolarHBondContact O-N 3.25Å; S63-S67 WeakPolarHBondContact O-CB 3.42Å; S63-S67 PolarHBondContact O-N 3.26Å; S63-S67 PolarHBondContact O-OG 2.87Å; S63-L75 VanDerWaalsContact OG-CD1 3.25Å; S63-L75 WeakPolarHBondContact OG-CD1 3.41Å
64S91.4Very high90.7Very high44 Ų4456.8 Ų56.831%0.30831%0.314SS..Hα-helixtrans-64.5-38.5175.9177.20000112.7S60 I61 V62 S67 T68S60-S64 VanDerWaalsContact O-CB 3.32Å; S60-S64 WeakPolarHBondContact O-CB 3.45Å; S60-S64 PolarHBondContact O-N 3.26Å; I61-S64 PolarHBondContact O-N 2.91Å; V62-S64 VanDerWaalsContact C-N 3.33Å; V62-S64 PolarHBondContact O-N 2.87Å; S64-S67 PolarHBondContact O-N 2.86Å; S64-S67 PolarHBondContact O-OG 3.32Å; S64-S67 VanDerWaalsContact O-OG 3.07Å; S64-T68 WeakPolarHBondContact O-CB 3.37Å; S64-T68 VanDerWaalsContact O-CG2 3.31Å; S64-T68 WeakPolarHBondContact O-CG2 3.43Å; S64-T68 PolarHBondContact O-N 3.34Å; S64-T68 PolarHBondContact O-OG1 2.91Å
65L93.5Very high90.7Very high1 Ų156 Ų561%0.00531%0.306CS..Hα-helixtrans-68.1-37177.9-73.1171.6000111.7K28 I31 R32 I61 V62 T68 G69 R70 L71K28-L65 HydrophobicContact CG-CD2 4.32Å; I31-L65 HydrophobicContact CG2-CD1 4.3Å; R32-L65 HydrophobicContact CB-CD1 3.86Å; R32-L65 HydrophobicContact CG-CD1 4.42Å; I61-L65 HydrophobicContact CG2-CD1 3.79Å; I61-L65 HydrophobicContact CG2-CG 4.16Å; I61-L65 WeakPolarHBondContact O-CB 3.12Å; I61-L65 VanDerWaalsContact O-CG 3.23Å; I61-L65 WeakPolarHBondContact O-CG 3.15Å; I61-L65 PolarHBondContact O-N 2.77Å; V62-L65 PolarHBondContact O-N 3.47Å; L65-T68 PolarHBondContact O-OG1 2.95Å; L65-G69 PolarHBondContact O-N 3.2Å; L65-R70 HydrophobicContact CD2-CB 3.84Å; L65-R70 PolarHBondContact O-N 3.39Å; L65-L71 HydrophobicContact CB-CB 3.72Å; L65-L71 HydrophobicContact CB-CD2 4.39Å; L65-L71 PolarHBondContact O-N 2.9Å
66I94Very high90.5Very high40 Ų4056.3 Ų56.321%0.20531%0.308CS..Hα-helixtrans-66.9-49.6173.8-65.9165.5000109.9V62 S63 T68 G69 L71 G73 L75 F82V62-I66 HydrophobicContact CG1-CD1 3.87Å; V62-I66 WeakPolarHBondContact O-CG1 3.27Å; V62-I66 PolarHBondContact O-N 2.95Å; S63-I66 PolarHBondContact O-N 3.25Å; I66-T68 VanDerWaalsContact C-N 3.26Å; I66-T68 PolarHBondContact O-N 2.98Å; I66-G69 PolarHBondContact O-N 3.44Å; I66-L71 HydrophobicContact CG1-CB 4.32Å; I66-L71 HydrophobicContact CG1-CD2 4.19Å; I66-L71 HydrophobicContact CG1-CG 4.35Å; I66-G73 WeakPolarHBondContact CG2-O 3.43Å; I66-L75 HydrophobicContact CD1-CD1 4.43Å; I66-L75 HydrophobicContact CD1-CD2 4.46Å; I66-L75 HydrophobicContact CD1-CG 3.87Å; I66-F82 HydrophobicContact CD1-CD2 4.17Å; I66-F82 HydrophobicContact CD1-CE2 4.03Å; I66-F82 HydrophobicContact CG1-CE2 4.44Å
67S93.1Very high89.9Confident98 Ų9854.6 Ų54.669%0.68531%0.313SS*.Hα-helixtrans-63.9-30.4-178.274.90000113.2S63 S64 G69S63-S67 WeakPolarHBondContact O-CB 3.42Å; S63-S67 PolarHBondContact O-N 3.26Å; S63-S67 PolarHBondContact O-OG 2.87Å; S64-S67 PolarHBondContact O-N 2.86Å; S64-S67 PolarHBondContact O-OG 3.32Å; S64-S67 VanDerWaalsContact O-OG 3.07Å; S67-G69 VanDerWaalsContact C-N 3.3Å
68T93.4Very high89.2Confident76 Ų7658.5 Ų58.547%0.46636%0.355SS..THydrogen-bonded Turntrans-85.22.6174.555.90000113.9S64 L65 I66 R70S64-T68 WeakPolarHBondContact O-CB 3.37Å; S64-T68 VanDerWaalsContact O-CG2 3.31Å; S64-T68 WeakPolarHBondContact O-CG2 3.43Å; S64-T68 PolarHBondContact O-N 3.34Å; S64-T68 PolarHBondContact O-OG1 2.91Å; L65-T68 PolarHBondContact O-OG1 2.95Å; I66-T68 VanDerWaalsContact C-N 3.26Å; I66-T68 PolarHBondContact O-N 2.98Å; T68-R70 PolarHBondContact O-N 3.13Å
69G91.5Very high88.1Confident38 Ų3867.3 Ų67.339%0.39239%0.389SS..THydrogen-bonded Turntrans67.514.7-178.600000114.3L65 I66 S67L65-G69 PolarHBondContact O-N 3.2Å; I66-G69 PolarHBondContact O-N 3.44Å; S67-G69 VanDerWaalsContact C-N 3.3Å
70R91.3Very high87.6Confident165 Ų16567.1 Ų67.162%0.62339%0.391SS*.SBendtrans-85.9-16.8178.9-65.2-62.9-170.1160.80.8113L65 T68L65-R70 HydrophobicContact CD2-CB 3.84Å; L65-R70 PolarHBondContact O-N 3.39Å; T68-R70 PolarHBondContact O-N 3.13Å
71L93.2Very high87.6Confident7 Ų765.2 Ų65.24%0.03738%0.378CS..SBendtrans-131.3128.3174.9-179.564.6000109.3F35 V62 L65 I66 F82F35-L71 HydrophobicContact CB-CD1 3.72Å; F35-L71 HydrophobicContact CB-CD2 3.72Å; F35-L71 HydrophobicContact CB-CG 4.38Å; F35-L71 HydrophobicContact CG-CD2 4.28Å; V62-L71 HydrophobicContact CG1-CD2 3.98Å; L65-L71 HydrophobicContact CB-CB 3.72Å; L65-L71 HydrophobicContact CB-CD2 4.39Å; L65-L71 PolarHBondContact O-N 2.9Å; I66-L71 HydrophobicContact CG1-CB 4.32Å; I66-L71 HydrophobicContact CG1-CD2 4.19Å; I66-L71 HydrophobicContact CG1-CG 4.35Å; L71-F82 HydrophobicContact CD1-CZ 4.02Å; L71-F82 HydrophobicContact CD2-CD2 4.48Å; L71-F82 HydrophobicContact CD2-CE2 3.75Å; L71-F82 HydrophobicContact CD2-CZ 3.92Å; L71-F82 HydrophobicContact CG-CE2 4Å; L71-F82 HydrophobicContact CG-CZ 3.87Å
72Y92.6Very high87.7Confident161 Ų16164.5 Ų64.563%0.63137%0.374SS*.  trans-98.3105.2-178.7-64.4-79.9000110.9K85Y72-K85 HydrophobicContact CD1-CD 4.35Å; Y72-K85 PolarHBondContact O-N 3.17Å
73G92.5Very high87.6Confident7 Ų765.5 Ų65.57%0.07238%0.381CS..EExtended strand (participates in β ladder)trans166.9176.8176.800000110.2I66 V83I66-G73 WeakPolarHBondContact CG2-O 3.43Å; G73-V83 CarbonylContact C-O 3.5Å; G73-V83 WeakPolarHBondContact CA-O 3.45Å
74N90.8Very high87.8Confident114 Ų11463.2 Ų63.261%0.6136%0.364SS*.EExtended strand (participates in β ladder)trans-124147.9-177.9-68.4-35.3000110.6V83N74-V83 PolarHBondContact N-O 2.83Å; N74-V83 PolarHBondContact O-N 2.96Å
75L89.5Confident87.8Confident56 Ų5667 Ų6729%0.29338%0.375SS..EExtended strand (participates in β ladder)trans-88.2132.3168.5-68.1179.3000109.5L44 V62 S63 I66 A77 G81 F82L44-L75 HydrophobicContact CD1-CD2 3.82Å; L44-L75 HydrophobicContact CD2-CD2 4.4Å; L44-L75 HydrophobicContact CG-CD2 4.46Å; V62-L75 HydrophobicContact CG1-CD1 4.33Å; V62-L75 HydrophobicContact CG1-CD2 3.84Å; V62-L75 HydrophobicContact CG1-CG 4.32Å; S63-L75 VanDerWaalsContact OG-CD1 3.25Å; S63-L75 WeakPolarHBondContact OG-CD1 3.41Å; I66-L75 HydrophobicContact CD1-CD1 4.43Å; I66-L75 HydrophobicContact CD1-CD2 4.46Å; I66-L75 HydrophobicContact CD1-CG 3.87Å; L75-A77 PolarHBondContact O-N 3.38Å; L75-G81 CarbonylContact C-O 3.55Å; L75-G81 WeakPolarHBondContact CA-O 3.12Å; L75-F82 HydrophobicContact CD2-CB 4.02Å; L75-F82 HydrophobicContact CD2-CD2 4.16Å
76I82.7Confident87.8Confident74 Ų7470.2 Ų70.238%0.37940%0.397SS..EExtended strand (participates in β ladder)trans-78.3116.1174.7-56.4169.8000108.1G78 R79 G81 V83I76-G78 PolarHBondContact O-N 3.34Å; I76-R79 HydrophobicContact CB-CB 4.32Å; I76-R79 HydrophobicContact CG2-CB 3.96Å; I76-R79 HydrophobicContact CG2-CG 4.31Å; I76-R79 PolarHBondContact O-N 3.44Å; I76-G81 PolarHBondContact N-O 3.37Å; I76-V83 HydrophobicContact CD1-CG2 3.55Å; I76-V83 HydrophobicContact CG1-CG2 3.74Å
77A72.1Confident87.7Confident99 Ų9970.4 Ų70.482%0.81840%0.396SS*.THydrogen-bonded Turntrans-54.5129.2175.300000110.9L75 R79L75-A77 PolarHBondContact O-N 3.38Å; A77-R79 VanDerWaalsContact C-N 3.29Å; A77-R79 PolarHBondContact O-N 3.02Å
78G70.3Confident87.5Confident89 Ų8967.9 Ų67.992%0.91838%0.376SS*.THydrogen-bonded Turntrans78.9-12.7177.500000116.9I76I76-G78 PolarHBondContact O-N 3.34Å
79R67.1Low87.4Confident185 Ų18571.8 Ų71.870%0.69838%0.383SS*.THydrogen-bonded Turntrans-111.68.6-176.7-69.6-170.2177.1177.90.2115.7I76 A77 G81I76-R79 HydrophobicContact CB-CB 4.32Å; I76-R79 HydrophobicContact CG2-CB 3.96Å; I76-R79 HydrophobicContact CG2-CG 4.31Å; I76-R79 PolarHBondContact O-N 3.44Å; A77-R79 VanDerWaalsContact C-N 3.29Å; A77-R79 PolarHBondContact O-N 3.02Å; R79-G81 PolarHBondContact O-N 3.46Å
80S78Confident87.4Confident39 Ų3972.7 Ų72.727%0.27339%0.387SS..THydrogen-bonded Turntrans39.140.5-17560.70000112.7L44L44-S80 WeakPolarHBondContact CB-O 3.36Å; L44-S80 WeakPolarHBondContact CG-O 3.44Å; L44-S80 PolarHBondContact N-O 3.37Å
81G88.1Confident87.4Confident8 Ų866 Ų668%0.08236%0.363CS..EExtended strand (participates in β ladder)trans-113.7142.1-174.700000110.8V42 L75 I76 R79V42-G81 CarbonylContact O-C 3.58Å; V42-G81 WeakPolarHBondContact O-CA 3.48Å; L75-G81 CarbonylContact C-O 3.55Å; L75-G81 WeakPolarHBondContact CA-O 3.12Å; I76-G81 PolarHBondContact N-O 3.37Å; R79-G81 PolarHBondContact O-N 3.46Å
82F92.4Very high87.3Confident1 Ų168 Ų680%0.00437%0.374CS..EExtended strand (participates in β ladder)trans-107128.6171.7173.7-101.5000110.1F35 P41 V42 L44 V62 I66 L71 L75 P84F35-F82 HydrophobicContact CB-CE1 4.45Å; F35-F82 HydrophobicContact CD1-CB 4.17Å; F35-F82 AromaticContact CD1-CD1 3.48Å; F35-F82 HydrophobicContact CD1-CD1 3.48Å; F35-F82 VanDerWaalsContact CD1-CD1 3.48Å; F35-F82 HydrophobicContact CD1-CD2 4.45Å; F35-F82 AromaticContact CD1-CE1 3.89Å; F35-F82 HydrophobicContact CD1-CE1 3.89Å; F35-F82 AromaticContact CD1-CG 3.78Å; F35-F82 HydrophobicContact CD1-CG 3.78Å; F35-F82 HydrophobicContact CE1-CB 3.83Å; F35-F82 AromaticContact CE1-CD1 3.99Å; F35-F82 HydrophobicContact CE1-CD1 3.99Å; F35-F82 AromaticContact CE1-CG 3.97Å; F35-F82 HydrophobicContact CE1-CG 3.97Å; P41-F82 WeakPolarHBondContact CA-O 2.92Å; V42-F82 HydrophobicContact CG2-CB 4.12Å; V42-F82 HydrophobicContact CG2-CD1 4.17Å; V42-F82 PolarHBondContact N-O 3.01Å; V42-F82 PolarHBondContact O-N 2.96Å; L44-F82 HydrophobicContact CD2-CB 4.1Å; V62-F82 HydrophobicContact CG1-CD2 4.16Å; I66-F82 HydrophobicContact CD1-CD2 4.17Å; I66-F82 HydrophobicContact CD1-CE2 4.03Å; I66-F82 HydrophobicContact CG1-CE2 4.44Å; L71-F82 HydrophobicContact CD1-CZ 4.02Å; L71-F82 HydrophobicContact CD2-CD2 4.48Å; L71-F82 HydrophobicContact CD2-CE2 3.75Å; L71-F82 HydrophobicContact CD2-CZ 3.92Å; L71-F82 HydrophobicContact CG-CE2 4Å; L71-F82 HydrophobicContact CG-CZ 3.87Å; L75-F82 HydrophobicContact CD2-CB 4.02Å; L75-F82 HydrophobicContact CD2-CD2 4.16Å; F82-P84 HydrophobicContact CD1-CG 4.15Å; F82-P84 HydrophobicContact CE1-CB 4.07Å; F82-P84 HydrophobicContact CE1-CG 3.76Å
83V92Very high87.3Confident22 Ų2263.1 Ų63.113%0.13336%0.361CS..EExtended strand (participates in β ladder)trans-110.7114.2173.3-1760000108.6P41 G73 N74 I76 Y87 T88P41-V83 HydrophobicContact CB-CG2 4.28Å; P41-V83 HydrophobicContact CG-CG1 4.37Å; P41-V83 HydrophobicContact CG-CG2 4.38Å; G73-V83 CarbonylContact C-O 3.5Å; G73-V83 WeakPolarHBondContact CA-O 3.45Å; N74-V83 PolarHBondContact N-O 2.83Å; N74-V83 PolarHBondContact O-N 2.96Å; I76-V83 HydrophobicContact CD1-CG2 3.55Å; I76-V83 HydrophobicContact CG1-CG2 3.74Å; V83-Y87 HydrophobicContact CG1-CD1 3.96Å; V83-T88 HydrophobicContact CG1-CG2 3.58Å
84P94Very high87.2Confident3 Ų368 Ų682%0.01938%0.378CS..EExtended strand (participates in β ladder)trans-62.2141.6175.5-18.529.4000111.6V38 F82 C86 Y87 T88V38-P84 HydrophobicContact CB-CG 4.26Å; V38-P84 HydrophobicContact CG1-CG 3.69Å; V38-P84 WeakPolarHBondContact O-CB 3.3Å; V38-P84 WeakPolarHBondContact O-CG 3.16Å; F82-P84 HydrophobicContact CD1-CG 4.15Å; F82-P84 HydrophobicContact CE1-CB 4.07Å; F82-P84 HydrophobicContact CE1-CG 3.76Å; P84-C86 PolarHBondContact O-N 3.08Å; P84-Y87 WeakPolarHBondContact O-CB 2.95Å; P84-Y87 PolarHBondContact O-N 3.44Å; P84-Y87 VanDerWaalsContact O-N 3.08Å; P84-T88 PolarHBondContact O-N 3.42Å
85K92.7Very high87.3Confident124 Ų12462.6 Ų62.654%0.53935%0.349SS..Hα-helixtrans-62.2-32.3177.2-174.9174.1-178.6178.90112.9Y72 Y87 T88 Y89Y72-K85 HydrophobicContact CD1-CD 4.35Å; Y72-K85 PolarHBondContact O-N 3.17Å; K85-Y87 PolarHBondContact O-N 3.29Å; K85-T88 PolarHBondContact O-OG1 3.31Å; K85-Y89 VanDerWaalsContact O-CB 3.3Å; K85-Y89 WeakPolarHBondContact O-CB 3.36Å; K85-Y89 PolarHBondContact O-N 3.3Å
86C93Very high87.5Confident68 Ų6863.3 Ų63.346%0.45935%0.353SS..Hα-helixtrans-65.4-30.4176.757.90000112.5P84 A90P84-C86 PolarHBondContact O-N 3.08Å; C86-A90 WeakPolarHBondContact O-CB 3.36Å; C86-A90 PolarHBondContact O-N 2.87Å
87Y91.5Very high88Confident44 Ų4462.9 Ų62.917%0.17336%0.357CS..Hα-helixtrans-69.5-51.8177.9179.7-93.9000110.8I39 R40 P41 V83 P84 K85 Y89 A90 E91I39-Y87 WeakPolarHBondContact O-CD2 3.37Å; R40-Y87 HydrophobicContact CG-CD2 4.29Å; R40-Y87 HydrophobicContact CG-CE2 4.32Å; P41-Y87 HydrophobicContact CG-CD1 3.81Å; P41-Y87 HydrophobicContact CG-CE1 3.57Å; P41-Y87 HydrophobicContact CG-CE2 4.38Å; P41-Y87 HydrophobicContact CG-CG 4.32Å; V83-Y87 HydrophobicContact CG1-CD1 3.96Å; P84-Y87 WeakPolarHBondContact O-CB 2.95Å; P84-Y87 PolarHBondContact O-N 3.44Å; P84-Y87 VanDerWaalsContact O-N 3.08Å; K85-Y87 PolarHBondContact O-N 3.29Å; Y87-Y89 VanDerWaalsContact C-N 3.32Å; Y87-Y89 PolarHBondContact O-N 3.25Å; Y87-A90 WeakPolarHBondContact O-CB 3.2Å; Y87-A90 PolarHBondContact O-N 3.15Å; Y87-A90 VanDerWaalsContact O-N 3.14Å; Y87-E91 HydrophobicContact CD1-CG 4.45Å; Y87-E91 HydrophobicContact CE1-CG 4.06Å; Y87-E91 WeakPolarHBondContact CE1-OE1 3.36Å; Y87-E91 WeakPolarHBondContact CE1-OE2 3.3Å; Y87-E91 PolarHBondContact O-N 3.02Å; Y87-E91 PolarHBondContact OH-OE1 3.09Å
88T89.5Confident88.9Confident46 Ų4660.3 Ų60.328%0.28233%0.327SS..Hα-helixtrans-61.1-42.717756.80000111.4V83 P84 K85 A90 E91 D92V83-T88 HydrophobicContact CG1-CG2 3.58Å; P84-T88 PolarHBondContact O-N 3.42Å; K85-T88 PolarHBondContact O-OG1 3.31Å; T88-A90 VanDerWaalsContact C-N 3.29Å; T88-A90 PolarHBondContact O-N 2.6Å; T88-E91 WeakPolarHBondContact O-CB 3.19Å; T88-E91 PolarHBondContact O-N 3.21Å; T88-E91 VanDerWaalsContact O-N 3.15Å; T88-D92 PolarHBondContact O-N 3.43Å
89Y91.7Very high89.9Confident157 Ų15756.8 Ų56.862%0.61629%0.286SS*.Hα-helixtrans-59.4-40.3176.1177.4-100.5000112.6K85 Y87 T93K85-Y89 VanDerWaalsContact O-CB 3.3Å; K85-Y89 WeakPolarHBondContact O-CB 3.36Å; K85-Y89 PolarHBondContact O-N 3.3Å; Y87-Y89 VanDerWaalsContact C-N 3.32Å; Y87-Y89 PolarHBondContact O-N 3.25Å; Y89-T93 VanDerWaalsContact O-CB 3.25Å; Y89-T93 WeakPolarHBondContact O-CB 3.24Å; Y89-T93 PolarHBondContact O-N 3.32Å; Y89-T93 PolarHBondContact O-OG1 3.06Å
90A91.1Very high90.9Very high57 Ų5751.9 Ų51.947%0.47128%0.28SS..Hα-helixtrans-67.3-39.2176.500000111.9C86 Y87 T88 Y94C86-A90 WeakPolarHBondContact O-CB 3.36Å; C86-A90 PolarHBondContact O-N 2.87Å; Y87-A90 WeakPolarHBondContact O-CB 3.2Å; Y87-A90 PolarHBondContact O-N 3.15Å; Y87-A90 VanDerWaalsContact O-N 3.14Å; T88-A90 VanDerWaalsContact C-N 3.29Å; T88-A90 PolarHBondContact O-N 2.6Å; A90-Y94 WeakPolarHBondContact O-CB 3.47Å; A90-Y94 PolarHBondContact O-N 3.34Å
91E90.9Very high91.4Very high24 Ų2457.7 Ų57.711%0.11230%0.303CS..Hα-helixtrans-63.1-50.2174.1-70.8-179.7143.800111.8Y87 T88 T93 Y94 I95Y87-E91 HydrophobicContact CD1-CG 4.45Å; Y87-E91 HydrophobicContact CE1-CG 4.06Å; Y87-E91 WeakPolarHBondContact CE1-OE1 3.36Å; Y87-E91 WeakPolarHBondContact CE1-OE2 3.3Å; Y87-E91 PolarHBondContact O-N 3.02Å; Y87-E91 PolarHBondContact OH-OE1 3.09Å; T88-E91 WeakPolarHBondContact O-CB 3.19Å; T88-E91 PolarHBondContact O-N 3.21Å; T88-E91 VanDerWaalsContact O-N 3.15Å; E91-T93 VanDerWaalsContact C-N 3.34Å; E91-T93 PolarHBondContact O-N 3.41Å; E91-Y94 WeakPolarHBondContact O-CB 3.44Å; E91-Y94 PolarHBondContact O-N 3.03Å; E91-Y94 VanDerWaalsContact O-N 3.16Å; E91-I95 VanDerWaalsContact O-CG1 3.31Å; E91-I95 WeakPolarHBondContact O-CG1 3.5Å; E91-I95 PolarHBondContact O-N 3.43Å
92D90.5Very high91.3Very high49 Ų4960.3 Ų60.326%0.26232%0.315SS..Hα-helixtrans-59-47.6178.8-59.8-25.5000110.5T88 Y94 I95 N96 Y121T88-D92 PolarHBondContact O-N 3.43Å; D92-Y94 VanDerWaalsContact C-N 3.31Å; D92-Y94 PolarHBondContact O-N 3.16Å; D92-I95 PolarHBondContact O-N 3.37Å; D92-N96 VanDerWaalsContact O-CB 3.24Å; D92-N96 WeakPolarHBondContact O-CB 3.46Å; D92-N96 PolarHBondContact O-N 3.14Å; D92-Y121 WeakPolarHBondContact CA-OH 3.42Å; D92-Y121 WeakPolarHBondContact OD1-CE2 3.14Å; D92-Y121 PolarHBondContact OD1-OH 2.93Å
93T93Very high91.1Very high59 Ų5960.9 Ų60.936%0.36232%0.321SS..Hα-helixtrans-61.7-41.1177.5-570000111.4Y89 E91 S97Y89-T93 VanDerWaalsContact O-CB 3.25Å; Y89-T93 WeakPolarHBondContact O-CB 3.24Å; Y89-T93 PolarHBondContact O-N 3.32Å; Y89-T93 PolarHBondContact O-OG1 3.06Å; E91-T93 VanDerWaalsContact C-N 3.34Å; E91-T93 PolarHBondContact O-N 3.41Å; T93-S97 WeakPolarHBondContact O-CB 3.24Å; T93-S97 PolarHBondContact O-N 3.1Å; T93-S97 PolarHBondContact O-OG 3.49Å
94Y91.2Very high90.9Very high109 Ų10962 Ų6243%0.42732%0.323SS..Hα-helixtrans-64.7-48.2177.9-178.8-83.9000111.5A90 E91 D92 S97 F98 Y109A90-Y94 WeakPolarHBondContact O-CB 3.47Å; A90-Y94 PolarHBondContact O-N 3.34Å; E91-Y94 WeakPolarHBondContact O-CB 3.44Å; E91-Y94 PolarHBondContact O-N 3.03Å; E91-Y94 VanDerWaalsContact O-N 3.16Å; D92-Y94 VanDerWaalsContact C-N 3.31Å; D92-Y94 PolarHBondContact O-N 3.16Å; Y94-S97 PolarHBondContact O-N 3.34Å; Y94-F98 HydrophobicContact CE1-CB 4.38Å; Y94-F98 HydrophobicContact CE1-CD2 4.49Å; Y94-F98 WeakPolarHBondContact O-CB 3.37Å; Y94-F98 PolarHBondContact O-N 2.56Å; Y94-Y109 HydrophobicContact CD1-CE1 4.14Å; Y94-Y109 AromaticContact CE1-CE1 3.43Å; Y94-Y109 HydrophobicContact CE1-CE1 3.43Å; Y94-Y109 VanDerWaalsContact CE1-CE1 3.43Å; Y94-Y109 AromaticContact CE1-CZ 3.66Å; Y94-Y109 WeakPolarHBondContact CE1-OH 3.44Å; Y94-Y109 PolarHBondContact OH-OH 3.02Å
95I93Very high90.8Very high2 Ų261.9 Ų61.91%0.0132%0.322CS..Hα-helixtrans-64.8-42.1-179.2-67.4165.1000110.2E91 D92 F98 Y99 V105 L110 L113 I115 Y121 L122 F126E91-I95 VanDerWaalsContact O-CG1 3.31Å; E91-I95 WeakPolarHBondContact O-CG1 3.5Å; E91-I95 PolarHBondContact O-N 3.43Å; D92-I95 PolarHBondContact O-N 3.37Å; I95-F98 PolarHBondContact O-N 3.14Å; I95-Y99 WeakPolarHBondContact O-CB 3.32Å; I95-Y99 PolarHBondContact O-N 3.47Å; I95-V105 HydrophobicContact CG2-CG2 4.38Å; I95-L110 HydrophobicContact CD1-CD1 4.43Å; I95-L110 HydrophobicContact CD1-CD2 4.44Å; I95-L110 HydrophobicContact CD1-CG 4.09Å; I95-L113 HydrophobicContact CD1-CD1 4.06Å; I95-L113 HydrophobicContact CG1-CD1 4.11Å; I95-I115 HydrophobicContact CD1-CD1 3.59Å; I95-Y121 HydrophobicContact CD1-CE1 3.64Å; I95-Y121 HydrophobicContact CG2-CE1 4.29Å; I95-L122 HydrophobicContact CG2-CD2 4.15Å; I95-F126 HydrophobicContact CG2-CE2 3.92Å; I95-F126 HydrophobicContact CG2-CZ 4.13Å
96N92.3Very high90.6Very high71 Ų7158.5 Ų58.538%0.3831%0.309SS..Hα-helixtrans-61.7-44.2175-166.2-66000112.2D92 Y99 S100D92-N96 VanDerWaalsContact O-CB 3.24Å; D92-N96 WeakPolarHBondContact O-CB 3.46Å; D92-N96 PolarHBondContact O-N 3.14Å; N96-Y99 PolarHBondContact O-N 2.63Å; N96-S100 VanDerWaalsContact O-CB 3.3Å; N96-S100 WeakPolarHBondContact O-CB 3.48Å; N96-S100 PolarHBondContact O-N 3.41Å; N96-S100 PolarHBondContact O-OG 2.85Å
97S93.3Very high90.4Very high65 Ų6557.2 Ų57.246%0.45529%0.294SS..Hα-helixtrans-64.1-44176.6-57.40000111.6T93 Y94 S100 Q101T93-S97 WeakPolarHBondContact O-CB 3.24Å; T93-S97 PolarHBondContact O-N 3.1Å; T93-S97 PolarHBondContact O-OG 3.49Å; Y94-S97 PolarHBondContact O-N 3.34Å; S97-S100 PolarHBondContact O-N 3.13Å; S97-Q101 VanDerWaalsContact O-CB 3.3Å; S97-Q101 WeakPolarHBondContact O-CB 3.44Å; S97-Q101 PolarHBondContact O-N 3.44Å
98F90.9Very high90.1Very high44 Ų4459.7 Ų59.719%0.19331%0.31CS..Hα-helixtrans-62.1-46.9177.4-175.4-82.1000111.6Y94 I95 Q101 N102 Y104 V105Y94-F98 HydrophobicContact CE1-CB 4.38Å; Y94-F98 HydrophobicContact CE1-CD2 4.49Å; Y94-F98 WeakPolarHBondContact O-CB 3.37Å; Y94-F98 PolarHBondContact O-N 2.56Å; I95-F98 PolarHBondContact O-N 3.14Å; F98-Q101 PolarHBondContact O-N 3Å; F98-N102 HydrophobicContact CD1-CB 4.49Å; F98-N102 VanDerWaalsContact CD2-ND2 3.28Å; F98-N102 WeakPolarHBondContact CD2-ND2 3.47Å; F98-N102 HydrophobicContact CE1-CB 4.21Å; F98-N102 WeakPolarHBondContact CE2-ND2 3.17Å; F98-N102 WeakPolarHBondContact CG-ND2 3.3Å; F98-N102 HydrophobicContact CZ-CB 4.47Å; F98-N102 WeakPolarHBondContact CZ-ND2 3.5Å; F98-N102 WeakPolarHBondContact O-CB 3.26Å; F98-N102 PolarHBondContact O-N 3.34Å; F98-N102 PolarHBondContact O-ND2 3.3Å; F98-N102 VanDerWaalsContact O-ND2 3.14Å; F98-Y104 VanDerWaalsContact CD1-O 3.31Å; F98-Y104 WeakPolarHBondContact CD1-O 3.32Å; F98-Y104 WeakPolarHBondContact CE1-O 3.31Å; F98-V105 HydrophobicContact CD1-CG2 3.93Å
99Y91.3Very high89.9Confident16 Ų1660.4 Ų60.46%0.06331%0.308CS..Hα-helixtrans-62.7-42.6177.7177.3-104.7000111.8I95 N96 Q101 G103 V105 F126 A129 N138I95-Y99 WeakPolarHBondContact O-CB 3.32Å; I95-Y99 PolarHBondContact O-N 3.47Å; N96-Y99 PolarHBondContact O-N 2.63Å; Y99-Q101 VanDerWaalsContact C-N 3.33Å; Y99-Q101 PolarHBondContact O-N 2.95Å; Y99-G103 WeakPolarHBondContact O-CA 3.24Å; Y99-G103 PolarHBondContact O-N 3.16Å; Y99-V105 HydrophobicContact CD2-CG2 3.96Å; Y99-V105 HydrophobicContact CG-CG2 4.28Å; Y99-F126 AromaticContact CD1-CD1 3.76Å; Y99-F126 HydrophobicContact CD1-CD1 3.76Å; Y99-F126 HydrophobicContact CD1-CD2 4.46Å; Y99-F126 AromaticContact CD1-CE1 3.61Å; Y99-F126 HydrophobicContact CD1-CE1 3.61Å; Y99-F126 HydrophobicContact CD1-CE2 4.32Å; Y99-F126 HydrophobicContact CD1-CG 4.2Å; Y99-F126 AromaticContact CD1-CZ 3.92Å; Y99-F126 HydrophobicContact CD1-CZ 3.92Å; Y99-F126 HydrophobicContact CD2-CD2 4.39Å; Y99-F126 HydrophobicContact CD2-CE2 4.37Å; Y99-F126 AromaticContact CE1-CD1 3.86Å; Y99-F126 HydrophobicContact CE1-CD1 3.86Å; Y99-F126 HydrophobicContact CE1-CE1 4.19Å; Y99-F126 HydrophobicContact CE1-CG 4.14Å; Y99-F126 HydrophobicContact CG-CD1 4.35Å; Y99-F126 HydrophobicContact CG-CD2 4.28Å; Y99-F126 HydrophobicContact CG-CE1 4.05Å; Y99-F126 AromaticContact CG-CE2 3.97Å; Y99-F126 HydrophobicContact CG-CE2 3.97Å; Y99-F126 HydrophobicContact CG-CG 4.47Å; Y99-F126 AromaticContact CG-CZ 3.85Å; Y99-F126 HydrophobicContact CG-CZ 3.85Å; Y99-A129 HydrophobicContact CE2-CB 4.38Å; Y99-A129 WeakPolarHBondContact OH-CB 3.43Å; Y99-N138 HydrophobicContact CE2-CB 3.94Å; Y99-N138 WeakPolarHBondContact OH-CA 3.29Å; Y99-N138 WeakPolarHBondContact OH-CB 3.45Å
100S89.1Confident89.8Confident81 Ų8152.9 Ų52.957%0.56628%0.279SS*.Hα-helixtrans-66.5-35.6178.5-60.80000112.4N96 S97N96-S100 VanDerWaalsContact O-CB 3.3Å; N96-S100 WeakPolarHBondContact O-CB 3.48Å; N96-S100 PolarHBondContact O-N 3.41Å; N96-S100 PolarHBondContact O-OG 2.85Å; S97-S100 PolarHBondContact O-N 3.13Å
101Q88.3Confident89.6Confident161 Ų16155.9 Ų55.975%0.75228%0.281SS*.Hα-helixtrans-79.7-44-179.3-174.6176.215.300113.1S97 F98 Y99S97-Q101 VanDerWaalsContact O-CB 3.3Å; S97-Q101 WeakPolarHBondContact O-CB 3.44Å; S97-Q101 PolarHBondContact O-N 3.44Å; F98-Q101 PolarHBondContact O-N 3Å; Y99-Q101 VanDerWaalsContact C-N 3.33Å; Y99-Q101 PolarHBondContact O-N 2.95Å
102N86.8Confident89.4Confident64 Ų6462.8 Ų62.834%0.34231%0.306SS..Hα-helixtrans-99.5-16.3-172.2-60.2-58.5000113.2F98 Y104F98-N102 HydrophobicContact CD1-CB 4.49Å; F98-N102 VanDerWaalsContact CD2-ND2 3.28Å; F98-N102 WeakPolarHBondContact CD2-ND2 3.47Å; F98-N102 HydrophobicContact CE1-CB 4.21Å; F98-N102 WeakPolarHBondContact CE2-ND2 3.17Å; F98-N102 WeakPolarHBondContact CG-ND2 3.3Å; F98-N102 HydrophobicContact CZ-CB 4.47Å; F98-N102 WeakPolarHBondContact CZ-ND2 3.5Å; F98-N102 WeakPolarHBondContact O-CB 3.26Å; F98-N102 PolarHBondContact O-N 3.34Å; F98-N102 PolarHBondContact O-ND2 3.3Å; F98-N102 VanDerWaalsContact O-ND2 3.14Å; N102-Y104 HydrophobicContact CB-CD1 4.15Å; N102-Y104 HydrophobicContact CB-CE1 4.02Å; N102-Y104 VanDerWaalsContact O-CD1 3.26Å; N102-Y104 WeakPolarHBondContact O-CD1 3.43Å; N102-Y104 PolarHBondContact O-N 3.44Å
103G87.6Confident89.1Confident12 Ų1262.2 Ų62.212%0.12430%0.303CS..SBendtrans742.6-176.900000114.5Y99 N138 I141Y99-G103 WeakPolarHBondContact O-CA 3.24Å; Y99-G103 PolarHBondContact O-N 3.16Å; G103-N138 WeakPolarHBondContact O-CB 3.43Å; G103-N138 PolarHBondContact O-N 3.49Å; G103-I141 VanDerWaalsContact O-CD1 3.26Å; G103-I141 WeakPolarHBondContact O-CD1 3.25Å
104Y88.5Confident88.5Confident45 Ų4565.5 Ų65.518%0.17632%0.318CS..EExtended strand (participates in β ladder)trans-148.4164.8175.970.8-89.2000111.7F98 N102 E106 L135 T136 P166F98-Y104 VanDerWaalsContact CD1-O 3.31Å; F98-Y104 WeakPolarHBondContact CD1-O 3.32Å; F98-Y104 WeakPolarHBondContact CE1-O 3.31Å; N102-Y104 HydrophobicContact CB-CD1 4.15Å; N102-Y104 HydrophobicContact CB-CE1 4.02Å; N102-Y104 VanDerWaalsContact O-CD1 3.26Å; N102-Y104 WeakPolarHBondContact O-CD1 3.43Å; N102-Y104 PolarHBondContact O-N 3.44Å; Y104-E106 HydrophobicContact CD2-CG 4.47Å; Y104-E106 HydrophobicContact CE2-CG 4.27Å; Y104-L135 HydrophobicContact CD2-CD1 3.71Å; Y104-L135 HydrophobicContact CG-CD1 4.42Å; Y104-T136 CarbonylContact C-O 3.58Å; Y104-T136 WeakPolarHBondContact CA-O 3.14Å; Y104-T136 WeakPolarHBondContact CB-O 3.28Å; Y104-P166 HydrophobicContact CD1-CB 3.64Å; Y104-P166 HydrophobicContact CD1-CG 3.5Å; Y104-P166 VanDerWaalsContact CD1-CG 3.5Å; Y104-P166 HydrophobicContact CD2-CB 3.93Å; Y104-P166 HydrophobicContact CD2-CG 4.34Å; Y104-P166 HydrophobicContact CE1-CB 3.72Å; Y104-P166 HydrophobicContact CE1-CG 4.04Å; Y104-P166 HydrophobicContact CE2-CB 3.98Å; Y104-P166 HydrophobicContact CG-CB 3.74Å; Y104-P166 HydrophobicContact CG-CG 3.66Å
105V90.4Very high88.3Confident1 Ų161.1 Ų61.11%0.00630%0.302CS..EExtended strand (participates in β ladder)trans-143.3122.7174.3174.30000110.1I95 F98 Y99 L110 L122 T136I95-V105 HydrophobicContact CG2-CG2 4.38Å; F98-V105 HydrophobicContact CD1-CG2 3.93Å; Y99-V105 HydrophobicContact CD2-CG2 3.96Å; Y99-V105 HydrophobicContact CG-CG2 4.28Å; V105-L110 HydrophobicContact CG1-CD1 3.22Å; V105-L122 HydrophobicContact CB-CD2 4.43Å; V105-L122 HydrophobicContact CG1-CD1 4.1Å; V105-L122 HydrophobicContact CG1-CD2 4.04Å; V105-T136 PolarHBondContact N-O 2.83Å; V105-T136 PolarHBondContact O-N 3.08Å
106E88.5Confident87.7Confident53 Ų5366.9 Ų66.925%0.24834%0.34CS..EExtended strand (participates in β ladder)trans-79134.1173.2-69171.4-161.100111.6Y104 N108 Y109 L135 G168Y104-E106 HydrophobicContact CD2-CG 4.47Å; Y104-E106 HydrophobicContact CE2-CG 4.27Å; E106-N108 VanDerWaalsContact C-N 3.26Å; E106-N108 PolarHBondContact O-N 2.99Å; E106-Y109 WeakPolarHBondContact O-CB 3.42Å; E106-Y109 PolarHBondContact O-N 2.9Å; E106-L135 HydrophobicContact CB-CD1 4.35Å; E106-L135 HydrophobicContact CG-CD1 3.68Å; E106-G168 VanDerWaalsContact OE1-CA 3.23Å; E106-G168 WeakPolarHBondContact OE1-CA 3.43Å
107W89Confident87.6Confident42 Ų4267.3 Ų67.316%0.15934%0.342CS..Hα-helixtrans-68.3-29.2-179.6-66.711.3000112.3Y109 L110 K111 P118 S119 L122 H131 L132 G134 T136W107-Y109 PolarHBondContact O-N 3.14Å; W107-L110 PolarHBondContact O-N 2.96Å; W107-K111 PolarHBondContact O-N 3.35Å; W107-K111 VanDerWaalsContact O-N 3.1Å; W107-P118 HydrophobicContact CB-CB 3.82Å; W107-P118 HydrophobicContact CB-CG 4.25Å; W107-P118 HydrophobicContact CD2-CB 4.27Å; W107-P118 HydrophobicContact CG-CB 3.93Å; W107-S119 VanDerWaalsContact CH2-CB 3.46Å; W107-S119 VanDerWaalsContact CH2-OG 3.24Å; W107-S119 WeakPolarHBondContact CH2-OG 3.3Å; W107-L122 VanDerWaalsContact CD1-CD1 3.4Å; W107-L122 HydrophobicContact CG-CD1 4.38Å; W107-H131 HydrophobicContact CZ2-CB 4.45Å; W107-L132 VanDerWaalsContact CZ2-O 3.29Å; W107-L132 WeakPolarHBondContact CZ2-O 3.21Å; W107-G134 WeakPolarHBondContact CB-O 3.43Å; W107-G134 VanDerWaalsContact CG-C 3.49Å; W107-G134 PolarHBondContact N-O 3.39Å; W107-T136 PolarHBondContact NE1-OG1 3.4Å
108N85.1Confident87.4Confident96 Ų9664.5 Ų64.551%0.51332%0.322SS..Hα-helixtrans-64.9-27.3173.6-72-26.2000112E106 R112E106-N108 VanDerWaalsContact C-N 3.26Å; E106-N108 PolarHBondContact O-N 2.99Å; N108-R112 PolarHBondContact O-N 3.32Å
109Y85.8Confident87.4Confident60 Ų6063.4 Ų63.424%0.23532%0.32CS..Hα-helixtrans-66.1-42.6172.5-167.1-98.5000111.4Y94 E106 W107 R112 L113Y94-Y109 HydrophobicContact CD1-CE1 4.14Å; Y94-Y109 AromaticContact CE1-CE1 3.43Å; Y94-Y109 HydrophobicContact CE1-CE1 3.43Å; Y94-Y109 VanDerWaalsContact CE1-CE1 3.43Å; Y94-Y109 AromaticContact CE1-CZ 3.66Å; Y94-Y109 WeakPolarHBondContact CE1-OH 3.44Å; Y94-Y109 PolarHBondContact OH-OH 3.02Å; E106-Y109 WeakPolarHBondContact O-CB 3.42Å; E106-Y109 PolarHBondContact O-N 2.9Å; W107-Y109 PolarHBondContact O-N 3.14Å; Y109-R112 WeakPolarHBondContact O-CB 3.38Å; Y109-R112 PolarHBondContact O-N 3.38Å; Y109-L113 HydrophobicContact CD1-CD1 4.16Å; Y109-L113 HydrophobicContact CE1-CD1 3.83Å; Y109-L113 HydrophobicContact CE1-CG 4.36Å; Y109-L113 PolarHBondContact O-N 3.04Å
110L89.7Confident87.3Confident0 Ų065.3 Ų65.30%034%0.336CS..Hα-helixtrans-67.2-37.8178-8770.9000113.1I95 V105 W107 R112 L113 N114 I115 P118 Y121 L122I95-L110 HydrophobicContact CD1-CD1 4.43Å; I95-L110 HydrophobicContact CD1-CD2 4.44Å; I95-L110 HydrophobicContact CD1-CG 4.09Å; V105-L110 HydrophobicContact CG1-CD1 3.22Å; W107-L110 PolarHBondContact O-N 2.96Å; L110-R112 PolarHBondContact O-N 2.88Å; L110-L113 CarbonylContact O-C 3.51Å; L110-L113 WeakPolarHBondContact O-CA 3.29Å; L110-L113 WeakPolarHBondContact O-CB 3.49Å; L110-L113 PolarHBondContact O-N 3.15Å; L110-N114 PolarHBondContact O-N 2.8Å; L110-I115 HydrophobicContact CB-CB 4.22Å; L110-I115 HydrophobicContact CB-CD1 4.28Å; L110-I115 HydrophobicContact CD2-CD1 4.11Å; L110-I115 HydrophobicContact CD2-CG2 4.44Å; L110-I115 HydrophobicContact CG-CD1 3.95Å; L110-I115 PolarHBondContact O-N 3.38Å; L110-I115 VanDerWaalsContact O-N 3.13Å; L110-P118 HydrophobicContact CB-CB 3.92Å; L110-P118 HydrophobicContact CB-CG 3.92Å; L110-P118 HydrophobicContact CD2-CB 3.96Å; L110-Y121 HydrophobicContact CD2-CD1 3.48Å; L110-Y121 VanDerWaalsContact CD2-CD1 3.48Å; L110-Y121 HydrophobicContact CD2-CE1 3.94Å; L110-Y121 HydrophobicContact CD2-CG 4.42Å; L110-L122 HydrophobicContact CD1-CD1 4.43Å; L110-L122 HydrophobicContact CD2-CD1 3.79Å; L110-L122 HydrophobicContact CD2-CD2 3.78Å; L110-L122 HydrophobicContact CD2-CG 3.57Å
111K87.2Confident87.5Confident119 Ų11963.4 Ų63.452%0.51732%0.316SS..Hα-helixtrans-58.8-36.1174.2-68.7176.8-175.2169.70111.8W107 L113 N114 P118W107-K111 PolarHBondContact O-N 3.35Å; W107-K111 VanDerWaalsContact O-N 3.1Å; K111-L113 VanDerWaalsContact C-N 3.29Å; K111-L113 PolarHBondContact O-N 3.4Å; K111-N114 PolarHBondContact O-N 2.7Å; K111-N114 VanDerWaalsContact O-N 3.14Å; K111-P118 HydrophobicContact CG-CG 3.81Å
112R86.1Confident87.7Confident170 Ų17055.7 Ų55.764%0.64228%0.28SS*.Hα-helixtrans-69.2-25.6175.3-70.6-176.8-75.2-163.2-5.2113.1N108 Y109 L110 N114N108-R112 PolarHBondContact O-N 3.32Å; Y109-R112 WeakPolarHBondContact O-CB 3.38Å; Y109-R112 PolarHBondContact O-N 3.38Å; L110-R112 PolarHBondContact O-N 2.88Å; R112-N114 PolarHBondContact O-N 3.44Å
113L84Confident88Confident37 Ų3757.9 Ų57.919%0.19429%0.287CS..THydrogen-bonded Turntrans-83.211.9171.6-60.9178000112.8I95 Y109 L110 K111 I115I95-L113 HydrophobicContact CD1-CD1 4.06Å; I95-L113 HydrophobicContact CG1-CD1 4.11Å; Y109-L113 HydrophobicContact CD1-CD1 4.16Å; Y109-L113 HydrophobicContact CE1-CD1 3.83Å; Y109-L113 HydrophobicContact CE1-CG 4.36Å; Y109-L113 PolarHBondContact O-N 3.04Å; L110-L113 CarbonylContact O-C 3.51Å; L110-L113 WeakPolarHBondContact O-CA 3.29Å; L110-L113 WeakPolarHBondContact O-CB 3.49Å; L110-L113 PolarHBondContact O-N 3.15Å; K111-L113 VanDerWaalsContact C-N 3.29Å; K111-L113 PolarHBondContact O-N 3.4Å; L113-I115 VanDerWaalsContact C-N 3.25Å; L113-I115 HydrophobicContact CB-CD1 4.45Å; L113-I115 PolarHBondContact O-N 3.2Å
114N81.2Confident88.2Confident127 Ų12762.3 Ų62.368%0.67931%0.312SS*.THydrogen-bonded Turntrans6324.3-177-55.3-66000114.9L110 K111 R112 P116L110-N114 PolarHBondContact O-N 2.8Å; K111-N114 PolarHBondContact O-N 2.7Å; K111-N114 VanDerWaalsContact O-N 3.14Å; R112-N114 PolarHBondContact O-N 3.44Å; N114-P116 VanDerWaalsContact O-CD 3.3Å; N114-P116 WeakPolarHBondContact O-CD 3.34Å
115I85.6Confident88.3Confident17 Ų1763.6 Ų63.69%0.08732%0.319CS..  trans-85109.5169.2-62.4166.5000107.7I95 L110 L113 Y121I95-I115 HydrophobicContact CD1-CD1 3.59Å; L110-I115 HydrophobicContact CB-CB 4.22Å; L110-I115 HydrophobicContact CB-CD1 4.28Å; L110-I115 HydrophobicContact CD2-CD1 4.11Å; L110-I115 HydrophobicContact CD2-CG2 4.44Å; L110-I115 HydrophobicContact CG-CD1 3.95Å; L110-I115 PolarHBondContact O-N 3.38Å; L110-I115 VanDerWaalsContact O-N 3.13Å; L113-I115 VanDerWaalsContact C-N 3.25Å; L113-I115 HydrophobicContact CB-CD1 4.45Å; L113-I115 PolarHBondContact O-N 3.2Å; I115-Y121 HydrophobicContact CD1-CD1 4.29Å; I115-Y121 HydrophobicContact CD1-CE1 4.11Å; I115-Y121 HydrophobicContact CD1-CE2 4.4Å; I115-Y121 HydrophobicContact CG2-CD2 4.42Å; I115-Y121 HydrophobicContact CG2-CG 4.03Å
116P81.6Confident88.4Confident123 Ų12364.2 Ų64.280%0.79932%0.322SS*.SBendtrans-72.8-32.9-169.428.4-34.6000113.2N114 P118N114-P116 VanDerWaalsContact O-CD 3.3Å; N114-P116 WeakPolarHBondContact O-CD 3.34Å; P116-P118 WeakPolarHBondContact O-CD 3.18Å
117D89.1Confident88.5Confident81 Ų8166.7 Ų66.743%0.43334%0.343SS..  trans-122.385.6176.8-176.59.8000110.7S119 S120 Y121D117-S119 PolarHBondContact O-N 3.18Å; D117-S119 PolarHBondContact OD1-N 3.04Å; D117-S120 PolarHBondContact O-OG 2.96Å; D117-S120 PolarHBondContact OD1-N 3.32Å; D117-S120 WeakPolarHBondContact OD2-CB 3.39Å; D117-S120 PolarHBondContact OD2-OG 3.08Å; D117-Y121 WeakPolarHBondContact O-CB 3.48Å; D117-Y121 PolarHBondContact O-N 3.36Å
118P90.1Very high88.4Confident5 Ų569.1 Ų69.13%0.03237%0.366CS..Hα-helixtrans-58.4-29.6176.9-26.435.1000113.7W107 L110 K111 P116 L122W107-P118 HydrophobicContact CB-CB 3.82Å; W107-P118 HydrophobicContact CB-CG 4.25Å; W107-P118 HydrophobicContact CD2-CB 4.27Å; W107-P118 HydrophobicContact CG-CB 3.93Å; L110-P118 HydrophobicContact CB-CB 3.92Å; L110-P118 HydrophobicContact CB-CG 3.92Å; L110-P118 HydrophobicContact CD2-CB 3.96Å; K111-P118 HydrophobicContact CG-CG 3.81Å; P116-P118 WeakPolarHBondContact O-CD 3.18Å; P118-L122 VanDerWaalsContact O-CB 3.3Å; P118-L122 WeakPolarHBondContact O-CB 3.32Å; P118-L122 VanDerWaalsContact O-CG 3.26Å; P118-L122 WeakPolarHBondContact O-CG 3.4Å; P118-L122 PolarHBondContact O-N 3.28Å
119S89.8Confident88.6Confident21 Ų2165.1 Ų65.115%0.14735%0.346CS..Hα-helixtrans-71-50-173.7-169.70000111.3W107 D117 K123W107-S119 VanDerWaalsContact CH2-CB 3.46Å; W107-S119 VanDerWaalsContact CH2-OG 3.24Å; W107-S119 WeakPolarHBondContact CH2-OG 3.3Å; D117-S119 PolarHBondContact O-N 3.18Å; D117-S119 PolarHBondContact OD1-N 3.04Å; S119-K123 WeakPolarHBondContact O-CB 3.42Å; S119-K123 WeakPolarHBondContact O-CD 3.43Å; S119-K123 VanDerWaalsContact O-CG 3.24Å; S119-K123 WeakPolarHBondContact O-CG 3.2Å; S119-K123 PolarHBondContact O-N 3.22Å; S119-K123 VanDerWaalsContact O-N 3.09Å; S119-K123 PolarHBondContact OG-NZ 3.29Å
120S90.9Very high88.7Confident57 Ų5765 Ų6540%0.39935%0.349SS..Hα-helixtrans-64.8-44.2177.357.10000111.2D117 L122 K123 T124D117-S120 PolarHBondContact O-OG 2.96Å; D117-S120 PolarHBondContact OD1-N 3.32Å; D117-S120 WeakPolarHBondContact OD2-CB 3.39Å; D117-S120 PolarHBondContact OD2-OG 3.08Å; S120-L122 PolarHBondContact O-N 2.82Å; S120-K123 PolarHBondContact O-N 2.83Å; S120-T124 PolarHBondContact O-N 3Å; S120-T124 PolarHBondContact O-OG1 2.94Å
121Y92.2Very high88.6Confident40 Ų4067.4 Ų67.416%0.15736%0.36CS..Hα-helixtrans-55.8-53.9177.2177.3-91.2000112D92 I95 L110 I115 D117 K123 T124 E125D92-Y121 WeakPolarHBondContact CA-OH 3.42Å; D92-Y121 WeakPolarHBondContact OD1-CE2 3.14Å; D92-Y121 PolarHBondContact OD1-OH 2.93Å; I95-Y121 HydrophobicContact CD1-CE1 3.64Å; I95-Y121 HydrophobicContact CG2-CE1 4.29Å; L110-Y121 HydrophobicContact CD2-CD1 3.48Å; L110-Y121 VanDerWaalsContact CD2-CD1 3.48Å; L110-Y121 HydrophobicContact CD2-CE1 3.94Å; L110-Y121 HydrophobicContact CD2-CG 4.42Å; I115-Y121 HydrophobicContact CD1-CD1 4.29Å; I115-Y121 HydrophobicContact CD1-CE1 4.11Å; I115-Y121 HydrophobicContact CD1-CE2 4.4Å; I115-Y121 HydrophobicContact CG2-CD2 4.42Å; I115-Y121 HydrophobicContact CG2-CG 4.03Å; D117-Y121 WeakPolarHBondContact O-CB 3.48Å; D117-Y121 PolarHBondContact O-N 3.36Å; Y121-K123 VanDerWaalsContact C-N 3.33Å; Y121-K123 PolarHBondContact O-N 2.87Å; Y121-T124 PolarHBondContact O-N 2.8Å; Y121-T124 VanDerWaalsContact O-N 3.14Å; Y121-E125 HydrophobicContact CD1-CG 4.23Å; Y121-E125 HydrophobicContact CD2-CG 4.46Å; Y121-E125 HydrophobicContact CE1-CG 3.77Å; Y121-E125 HydrophobicContact CE2-CG 4.03Å; Y121-E125 PolarHBondContact O-N 2.88Å
122L93.4Very high88.4Confident0 Ų063.3 Ų63.30%034%0.344CS..Hα-helixtrans-68.4-29.6-177.8-69.7169.7000113.1I95 V105 W107 L110 P118 S120 T124 F126 H131I95-L122 HydrophobicContact CG2-CD2 4.15Å; V105-L122 HydrophobicContact CB-CD2 4.43Å; V105-L122 HydrophobicContact CG1-CD1 4.1Å; V105-L122 HydrophobicContact CG1-CD2 4.04Å; W107-L122 VanDerWaalsContact CD1-CD1 3.4Å; W107-L122 HydrophobicContact CG-CD1 4.38Å; L110-L122 HydrophobicContact CD1-CD1 4.43Å; L110-L122 HydrophobicContact CD2-CD1 3.79Å; L110-L122 HydrophobicContact CD2-CD2 3.78Å; L110-L122 HydrophobicContact CD2-CG 3.57Å; P118-L122 VanDerWaalsContact O-CB 3.3Å; P118-L122 WeakPolarHBondContact O-CB 3.32Å; P118-L122 VanDerWaalsContact O-CG 3.26Å; P118-L122 WeakPolarHBondContact O-CG 3.4Å; P118-L122 PolarHBondContact O-N 3.28Å; S120-L122 PolarHBondContact O-N 2.82Å; L122-T124 VanDerWaalsContact C-N 3.32Å; L122-F126 HydrophobicContact CD2-CD2 3.77Å; L122-F126 HydrophobicContact CD2-CE2 3.66Å; L122-F126 WeakPolarHBondContact O-CA 3.23Å; L122-F126 PolarHBondContact O-N 3.37Å; L122-H131 PolarHBondContact O-CE1 2.87Å
123K92.4Very high88.1Confident109 Ų10960.1 Ų60.147%0.47435%0.345SS..Hα-helixtrans-68.8-31.7173.6-78.4170.6178.2169.20112.5S119 S120 Y121S119-K123 WeakPolarHBondContact O-CB 3.42Å; S119-K123 WeakPolarHBondContact O-CD 3.43Å; S119-K123 VanDerWaalsContact O-CG 3.24Å; S119-K123 WeakPolarHBondContact O-CG 3.2Å; S119-K123 PolarHBondContact O-N 3.22Å; S119-K123 VanDerWaalsContact O-N 3.09Å; S119-K123 PolarHBondContact OG-NZ 3.29Å; S120-K123 PolarHBondContact O-N 2.83Å; Y121-K123 VanDerWaalsContact C-N 3.33Å; Y121-K123 PolarHBondContact O-N 2.87Å
124T91.8Very high88Confident106 Ų10659.7 Ų59.765%0.6535%0.349SS*.Hα-helixtrans-75.8-44.9173.9-58.20000111.2S120 Y121 L122S120-T124 PolarHBondContact O-N 3Å; S120-T124 PolarHBondContact O-OG1 2.94Å; Y121-T124 PolarHBondContact O-N 2.8Å; Y121-T124 VanDerWaalsContact O-N 3.14Å; L122-T124 VanDerWaalsContact C-N 3.32Å
125E90.1Very high88.3Confident72 Ų7253.8 Ų53.834%0.33632%0.318SS..Hα-helixtrans-72.1-38.4-179.1-70.4-57.3122.600113.3Y121Y121-E125 HydrophobicContact CD1-CG 4.23Å; Y121-E125 HydrophobicContact CD2-CG 4.46Å; Y121-E125 HydrophobicContact CE1-CG 3.77Å; Y121-E125 HydrophobicContact CE2-CG 4.03Å; Y121-E125 PolarHBondContact O-N 2.88Å
126F93.1Very high88.5Confident14 Ų1453 Ų536%0.06131%0.314CS..  trans-12971.6-177.8-48.3-59.3000112.5I95 Y99 L122 S128 A129 H131I95-F126 HydrophobicContact CG2-CE2 3.92Å; I95-F126 HydrophobicContact CG2-CZ 4.13Å; Y99-F126 AromaticContact CD1-CD1 3.76Å; Y99-F126 HydrophobicContact CD1-CD1 3.76Å; Y99-F126 HydrophobicContact CD1-CD2 4.46Å; Y99-F126 AromaticContact CD1-CE1 3.61Å; Y99-F126 HydrophobicContact CD1-CE1 3.61Å; Y99-F126 HydrophobicContact CD1-CE2 4.32Å; Y99-F126 HydrophobicContact CD1-CG 4.2Å; Y99-F126 AromaticContact CD1-CZ 3.92Å; Y99-F126 HydrophobicContact CD1-CZ 3.92Å; Y99-F126 HydrophobicContact CD2-CD2 4.39Å; Y99-F126 HydrophobicContact CD2-CE2 4.37Å; Y99-F126 AromaticContact CE1-CD1 3.86Å; Y99-F126 HydrophobicContact CE1-CD1 3.86Å; Y99-F126 HydrophobicContact CE1-CE1 4.19Å; Y99-F126 HydrophobicContact CE1-CG 4.14Å; Y99-F126 HydrophobicContact CG-CD1 4.35Å; Y99-F126 HydrophobicContact CG-CD2 4.28Å; Y99-F126 HydrophobicContact CG-CE1 4.05Å; Y99-F126 AromaticContact CG-CE2 3.97Å; Y99-F126 HydrophobicContact CG-CE2 3.97Å; Y99-F126 HydrophobicContact CG-CG 4.47Å; Y99-F126 AromaticContact CG-CZ 3.85Å; Y99-F126 HydrophobicContact CG-CZ 3.85Å; L122-F126 HydrophobicContact CD2-CD2 3.77Å; L122-F126 HydrophobicContact CD2-CE2 3.66Å; L122-F126 WeakPolarHBondContact O-CA 3.23Å; L122-F126 PolarHBondContact O-N 3.37Å; F126-S128 PolarHBondContact O-N 2.85Å; F126-S128 VanDerWaalsContact O-N 3.15Å; F126-A129 HydrophobicContact CB-CB 3.72Å; F126-A129 WeakPolarHBondContact O-CB 3.37Å; F126-A129 PolarHBondContact O-N 2.72Å; F126-H131 PolarHBondContact O-NE2 2.82Å
127P89.7Confident88.8Confident105 Ų10547.1 Ų47.168%0.68228%0.276SS*.THydrogen-bonded Turntrans-62.5-25.3-176.3-22.633.2000114.8
128S88.1Confident88.8Confident93 Ų9344.7 Ų44.765%0.6526%0.263SS*.THydrogen-bonded Turntrans-87.9-3.4178.756.10000113.7F126 P139F126-S128 PolarHBondContact O-N 2.85Å; F126-S128 VanDerWaalsContact O-N 3.15Å; S128-P139 WeakPolarHBondContact O-CG 3.31Å
129A90Very high88.7Confident11 Ų1146.4 Ų46.49%0.09127%0.274CS..SBendtrans-78.6159.4-179.600000112.2Y99 F126 H131 T136Y99-A129 HydrophobicContact CE2-CB 4.38Å; Y99-A129 WeakPolarHBondContact OH-CB 3.43Å; F126-A129 HydrophobicContact CB-CB 3.72Å; F126-A129 WeakPolarHBondContact O-CB 3.37Å; F126-A129 PolarHBondContact O-N 2.72Å; A129-H131 PolarHBondContact O-CD2 2.87Å; A129-T136 HydrophobicContact CB-CG2 3.46Å; A129-T136 VanDerWaalsContact CB-CG2 3.46Å
130I87Confident88.6Confident59 Ų5950.4 Ų50.430%0.30329%0.293SS..EExtended strand (participates in β ladder)trans-92116.7173.9-58.9171.9000107.8L132 T136 V137 P139 V142I130-L132 HydrophobicContact CG2-CD2 4.46Å; I130-L132 HydrophobicContact CG2-CG 4.43Å; I130-T136 CarbonylContact O-C 3.45Å; I130-T136 WeakPolarHBondContact O-CA 3.24Å; I130-V137 PolarHBondContact N-O 3.28Å; I130-V137 PolarHBondContact O-N 2.69Å; I130-P139 HydrophobicContact CD1-CB 4.39Å; I130-V142 HydrophobicContact CD1-CB 4.21Å; I130-V142 HydrophobicContact CD1-CG2 3.45Å; I130-V142 VanDerWaalsContact CD1-CG2 3.45Å
131H88.2Confident88.3Confident50 Ų5048.4 Ų48.423%0.23128%0.278CS..EExtended strand (participates in β ladder)trans-100.4100.3-178.3-55.1-74.5000110.7W107 L122 F126 A129 T136W107-H131 HydrophobicContact CZ2-CB 4.45Å; L122-H131 PolarHBondContact O-CE1 2.87Å; F126-H131 PolarHBondContact O-NE2 2.82Å; A129-H131 PolarHBondContact O-CD2 2.87Å; H131-T136 VanDerWaalsContact ND1-CG2 3.29Å; H131-T136 WeakPolarHBondContact ND1-CG2 3.5Å; H131-T136 PolarHBondContact ND1-OG1 3.19Å
132L83.2Confident87.9Confident33 Ų3347.3 Ų47.317%0.17328%0.275CS..EExtended strand (participates in β ladder)trans-87.7158.2169.3-60.8174.5000109.7W107 I130 G134 L135 L177W107-L132 VanDerWaalsContact CZ2-O 3.29Å; W107-L132 WeakPolarHBondContact CZ2-O 3.21Å; I130-L132 HydrophobicContact CG2-CD2 4.46Å; I130-L132 HydrophobicContact CG2-CG 4.43Å; L132-G134 PolarHBondContact O-N 2.7Å; L132-G134 VanDerWaalsContact O-N 3.08Å; L132-L135 CarbonylContact C-O 3.53Å; L132-L135 WeakPolarHBondContact CA-O 3.23Å; L132-L135 PolarHBondContact N-O 2.91Å; L132-L135 PolarHBondContact O-N 2.94Å; L132-L177 HydrophobicContact CD1-CB 4.28Å; L132-L177 HydrophobicContact CD1-CD1 4.21Å
133P79.8Confident87.7Confident102 Ų10251.4 Ų51.466%0.66230%0.297SS*.THydrogen-bonded Turntrans-54.2119.3170-22.533.9000109.6L135P133-L135 VanDerWaalsContact C-N 3.3Å; P133-L135 PolarHBondContact O-N 2.87Å
134G81.5Confident87.5Confident28 Ų2851.2 Ų51.229%0.28930%0.298SS..THydrogen-bonded Turntrans83.4-14.3177.400000116.5W107 L132W107-G134 WeakPolarHBondContact CB-O 3.43Å; W107-G134 VanDerWaalsContact CG-C 3.49Å; W107-G134 PolarHBondContact N-O 3.39Å; L132-G134 PolarHBondContact O-N 2.7Å; L132-G134 VanDerWaalsContact O-N 3.08Å
135L86.9Confident87.4Confident3 Ų346.4 Ų46.42%0.01627%0.268CS..EExtended strand (participates in β ladder)trans-140.5140.7-178-168.174.6000112.4Y104 E106 L132 P133 V137 P166 L169Y104-L135 HydrophobicContact CD2-CD1 3.71Å; Y104-L135 HydrophobicContact CG-CD1 4.42Å; E106-L135 HydrophobicContact CB-CD1 4.35Å; E106-L135 HydrophobicContact CG-CD1 3.68Å; L132-L135 CarbonylContact C-O 3.53Å; L132-L135 WeakPolarHBondContact CA-O 3.23Å; L132-L135 PolarHBondContact N-O 2.91Å; L132-L135 PolarHBondContact O-N 2.94Å; P133-L135 VanDerWaalsContact C-N 3.3Å; P133-L135 PolarHBondContact O-N 2.87Å; L135-V137 HydrophobicContact CD2-CG2 3.29Å; L135-V137 HydrophobicContact CG-CG2 3.74Å; L135-P166 HydrophobicContact CD2-CB 4.26Å; L135-P166 HydrophobicContact CD2-CG 4.26Å; L135-L169 HydrophobicContact CB-CD2 3.85Å; L135-L169 HydrophobicContact CD2-CD1 3.76Å; L135-L169 HydrophobicContact CD2-CD2 3.2Å; L135-L169 HydrophobicContact CD2-CG 3.51Å; L135-L169 HydrophobicContact CG-CD2 4.04Å
136T89.3Confident87.4Confident0 Ų047.7 Ų47.70%027%0.273CS..EExtended strand (participates in β ladder)trans-116128.5166.8-66.50000109.9Y104 V105 W107 A129 I130 H131Y104-T136 CarbonylContact C-O 3.58Å; Y104-T136 WeakPolarHBondContact CA-O 3.14Å; Y104-T136 WeakPolarHBondContact CB-O 3.28Å; V105-T136 PolarHBondContact N-O 2.83Å; V105-T136 PolarHBondContact O-N 3.08Å; W107-T136 PolarHBondContact NE1-OG1 3.4Å; A129-T136 HydrophobicContact CB-CG2 3.46Å; A129-T136 VanDerWaalsContact CB-CG2 3.46Å; I130-T136 CarbonylContact O-C 3.45Å; I130-T136 WeakPolarHBondContact O-CA 3.24Å; H131-T136 VanDerWaalsContact ND1-CG2 3.29Å; H131-T136 WeakPolarHBondContact ND1-CG2 3.5Å; H131-T136 PolarHBondContact ND1-OG1 3.19Å
137V88.2Confident87.3Confident0 Ų050.9 Ų50.90%030%0.297CS..EExtended strand (participates in β ladder)trans-123.2138.7-169.9-173.40000109.8I130 L135 I141I130-V137 PolarHBondContact N-O 3.28Å; I130-V137 PolarHBondContact O-N 2.69Å; L135-V137 HydrophobicContact CD2-CG2 3.29Å; L135-V137 HydrophobicContact CG-CG2 3.74Å; V137-I141 HydrophobicContact CG1-CB 3.94Å; V137-I141 HydrophobicContact CG1-CD1 3.6Å; V137-I141 HydrophobicContact CG1-CG1 4.32Å; V137-I141 HydrophobicContact CG1-CG2 4.2Å
138N89.6Confident87.4Confident30 Ų3047.5 Ų47.516%0.1627%0.273CS..  trans-68.8129174.3-171.5-38.9000109.9Y99 G103 L140 I141Y99-N138 HydrophobicContact CE2-CB 3.94Å; Y99-N138 WeakPolarHBondContact OH-CA 3.29Å; Y99-N138 WeakPolarHBondContact OH-CB 3.45Å; G103-N138 WeakPolarHBondContact O-CB 3.43Å; G103-N138 PolarHBondContact O-N 3.49Å; N138-L140 PolarHBondContact O-N 3.14Å; N138-L140 WeakPolarHBondContact OD1-CB 3.4Å; N138-L140 VanDerWaalsContact OD1-CG 3.3Å; N138-L140 WeakPolarHBondContact OD1-CG 3.3Å; N138-L140 PolarHBondContact OD1-N 2.88Å; N138-I141 WeakPolarHBondContact O-CB 3.09Å; N138-I141 PolarHBondContact O-N 2.93Å
139P87.7Confident87.6Confident41 Ų4143.7 Ų43.727%0.26625%0.245SC..Hα-helixtrans-55.6-25.1179.823.5-36.4000113.4S128 I130 I141 V142 D143S128-P139 WeakPolarHBondContact O-CG 3.31Å; I130-P139 HydrophobicContact CD1-CB 4.39Å; P139-I141 PolarHBondContact O-N 3.28Å; P139-V142 WeakPolarHBondContact O-CB 3.17Å; P139-V142 PolarHBondContact O-N 3.35Å; P139-D143 PolarHBondContact O-N 3.46Å; P139-D143 VanDerWaalsContact O-N 3.11Å
140L87Confident87.6Confident105 Ų10546.6 Ų46.655%0.5526%0.264SS..Hα-helixtrans-56.4-32.5174.1-68.1175.8000113.1N138 V142 D143 Q144N138-L140 PolarHBondContact O-N 3.14Å; N138-L140 WeakPolarHBondContact OD1-CB 3.4Å; N138-L140 VanDerWaalsContact OD1-CG 3.3Å; N138-L140 WeakPolarHBondContact OD1-CG 3.3Å; N138-L140 PolarHBondContact OD1-N 2.88Å; L140-V142 VanDerWaalsContact C-N 3.32Å; L140-D143 PolarHBondContact O-N 3.39Å; L140-Q144 WeakPolarHBondContact O-CB 3.26Å; L140-Q144 VanDerWaalsContact O-CG 3.25Å; L140-Q144 WeakPolarHBondContact O-CG 3.3Å; L140-Q144 PolarHBondContact O-N 2.75Å
141I85Confident87.9Confident16 Ų1644.3 Ų44.38%0.08226%0.255CS..Hα-helixtrans-65.4-39.8176.2-68.3167.1000110.1G103 V137 N138 P139 Q144 L145G103-I141 VanDerWaalsContact O-CD1 3.26Å; G103-I141 WeakPolarHBondContact O-CD1 3.25Å; V137-I141 HydrophobicContact CG1-CB 3.94Å; V137-I141 HydrophobicContact CG1-CD1 3.6Å; V137-I141 HydrophobicContact CG1-CG1 4.32Å; V137-I141 HydrophobicContact CG1-CG2 4.2Å; N138-I141 WeakPolarHBondContact O-CB 3.09Å; N138-I141 PolarHBondContact O-N 2.93Å; P139-I141 PolarHBondContact O-N 3.28Å; I141-Q144 PolarHBondContact O-N 2.84Å; I141-L145 HydrophobicContact CG2-CD1 4.23Å; I141-L145 HydrophobicContact CG2-CG 4.46Å; I141-L145 VanDerWaalsContact O-CG 3.28Å; I141-L145 WeakPolarHBondContact O-CG 3.35Å; I141-L145 PolarHBondContact O-N 3.21Å
142V84.8Confident88.1Confident16 Ų1642.1 Ų42.110%0.09725%0.245CC..Hα-helixtrans-66.3-40.7176.8172.90000111.2I130 P139 L140 Q144 L145 K146 L177 L181I130-V142 HydrophobicContact CD1-CB 4.21Å; I130-V142 HydrophobicContact CD1-CG2 3.45Å; I130-V142 VanDerWaalsContact CD1-CG2 3.45Å; P139-V142 WeakPolarHBondContact O-CB 3.17Å; P139-V142 PolarHBondContact O-N 3.35Å; L140-V142 VanDerWaalsContact C-N 3.32Å; V142-Q144 VanDerWaalsContact C-N 3.34Å; V142-L145 PolarHBondContact O-N 2.98Å; V142-K146 HydrophobicContact CG1-CD 4.45Å; V142-K146 WeakPolarHBondContact O-CG 3.11Å; V142-K146 PolarHBondContact O-N 2.94Å; V142-L177 HydrophobicContact CG2-CD1 4.06Å; V142-L181 HydrophobicContact CG1-CD1 4.18Å; V142-L181 HydrophobicContact CG1-CD2 3.9Å
143D87.7Confident88.6Confident87 Ų8742.7 Ų42.747%0.46525%0.25SS..Hα-helixtrans-67.1-36.8176.8-68.2-26.3000112P139 L140 K146 S147P139-D143 PolarHBondContact O-N 3.46Å; P139-D143 VanDerWaalsContact O-N 3.11Å; L140-D143 PolarHBondContact O-N 3.39Å; D143-K146 PolarHBondContact O-N 3.26Å; D143-K146 IonicContact OD1-NZ 3.69Å; D143-S147 PolarHBondContact O-N 3.43Å
144Q89.2Confident89.2Confident105 Ų10545.8 Ų45.849%0.49125%0.249SC..Hα-helixtrans-61.9-48.6170.4-74.7173.8-1.700111.3L140 I141 V142 K146 S147 L148L140-Q144 WeakPolarHBondContact O-CB 3.26Å; L140-Q144 VanDerWaalsContact O-CG 3.25Å; L140-Q144 WeakPolarHBondContact O-CG 3.3Å; L140-Q144 PolarHBondContact O-N 2.75Å; I141-Q144 PolarHBondContact O-N 2.84Å; V142-Q144 VanDerWaalsContact C-N 3.34Å; Q144-K146 VanDerWaalsContact C-N 3.33Å; Q144-K146 PolarHBondContact O-N 3.48Å; Q144-S147 WeakPolarHBondContact O-CA 3.19Å; Q144-S147 VanDerWaalsContact O-CB 3.3Å; Q144-S147 WeakPolarHBondContact O-CB 3.42Å; Q144-S147 PolarHBondContact O-N 2.98Å; Q144-L148 WeakPolarHBondContact O-CG 3.26Å; Q144-L148 PolarHBondContact O-N 3.11Å
145L89.4Confident89.7Confident4 Ų449 Ų492%0.02126%0.259CS..Hα-helixtrans-58.7-43177.5-71.4173.6000111.9I141 V142 S147 L148 I149 L161 I165 L177 L181I141-L145 HydrophobicContact CG2-CD1 4.23Å; I141-L145 HydrophobicContact CG2-CG 4.46Å; I141-L145 VanDerWaalsContact O-CG 3.28Å; I141-L145 WeakPolarHBondContact O-CG 3.35Å; I141-L145 PolarHBondContact O-N 3.21Å; V142-L145 PolarHBondContact O-N 2.98Å; L145-S147 VanDerWaalsContact C-N 3.31Å; L145-S147 PolarHBondContact O-N 3.03Å; L145-L148 HydrophobicContact CD2-CD1 4.48Å; L145-L148 PolarHBondContact O-N 2.95Å; L145-I149 WeakPolarHBondContact O-CD1 3.37Å; L145-I149 VanDerWaalsContact O-CG1 3.26Å; L145-I149 WeakPolarHBondContact O-CG1 3.46Å; L145-I149 PolarHBondContact O-N 3.4Å; L145-L161 HydrophobicContact CD2-CD2 4.14Å; L145-I165 HydrophobicContact CD2-CG1 4.46Å; L145-L177 HydrophobicContact CD1-CD2 4.45Å; L145-L181 HydrophobicContact CB-CD1 3.92Å; L145-L181 HydrophobicContact CD1-CD1 4.19Å
146K89.7Confident89.8Confident100 Ų10050.8 Ų50.844%0.43527%0.27SS..Hα-helixtrans-59.8-40.6173.6-73172.5-176.1166.60112.3V142 D143 Q144 S150 L181V142-K146 HydrophobicContact CG1-CD 4.45Å; V142-K146 WeakPolarHBondContact O-CG 3.11Å; V142-K146 PolarHBondContact O-N 2.94Å; D143-K146 PolarHBondContact O-N 3.26Å; D143-K146 IonicContact OD1-NZ 3.69Å; Q144-K146 VanDerWaalsContact C-N 3.33Å; Q144-K146 PolarHBondContact O-N 3.48Å; K146-S150 WeakPolarHBondContact O-CB 3.42Å; K146-S150 PolarHBondContact O-N 2.98Å; K146-S150 PolarHBondContact O-OG 3.07Å; K146-L181 HydrophobicContact CG-CD2 4.19Å
147S91.5Very high89.9Confident81 Ų8152.5 Ų52.557%0.56628%0.282SS*.Hα-helixtrans-63.5-43.6175.8-169.50000111.6D143 Q144 L145 S150 G151D143-S147 PolarHBondContact O-N 3.43Å; Q144-S147 WeakPolarHBondContact O-CA 3.19Å; Q144-S147 VanDerWaalsContact O-CB 3.3Å; Q144-S147 WeakPolarHBondContact O-CB 3.42Å; Q144-S147 PolarHBondContact O-N 2.98Å; L145-S147 VanDerWaalsContact C-N 3.31Å; L145-S147 PolarHBondContact O-N 3.03Å; S147-S150 PolarHBondContact O-N 2.81Å; S147-G151 PolarHBondContact O-N 2.89Å
148L91.5Very high90.1Very high34 Ų3455.5 Ų55.518%0.17829%0.293CS..Hα-helixtrans-64.1-46.3177.1-64.9176.1000112.1Q144 L145 S150 G151 V152 I159 L161 Y164Q144-L148 WeakPolarHBondContact O-CG 3.26Å; Q144-L148 PolarHBondContact O-N 3.11Å; L145-L148 HydrophobicContact CD2-CD1 4.48Å; L145-L148 PolarHBondContact O-N 2.95Å; L148-S150 VanDerWaalsContact C-N 3.29Å; L148-S150 PolarHBondContact O-N 3.32Å; L148-G151 WeakPolarHBondContact O-CA 3.26Å; L148-G151 PolarHBondContact O-N 3.21Å; L148-G151 VanDerWaalsContact O-N 3.08Å; L148-V152 WeakPolarHBondContact O-CG2 3.45Å; L148-V152 PolarHBondContact O-N 3.19Å; L148-I159 HydrophobicContact CB-CD1 4.42Å; L148-I159 HydrophobicContact CD1-CD1 4.3Å; L148-I159 HydrophobicContact CD2-CD1 3.72Å; L148-I159 HydrophobicContact CG-CD1 4.35Å; L148-L161 HydrophobicContact CD1-CD2 4.26Å; L148-Y164 HydrophobicContact CD1-CD1 3.56Å; L148-Y164 HydrophobicContact CD1-CD2 3.67Å; L148-Y164 HydrophobicContact CD1-CE1 3.68Å; L148-Y164 HydrophobicContact CD1-CE2 3.79Å; L148-Y164 HydrophobicContact CD1-CG 3.54Å; L148-Y164 HydrophobicContact CD2-CE1 4.35Å
149I91.6Very high90.2Very high13 Ų1355.7 Ų55.77%0.06729%0.294CS..Hα-helixtrans-56.4-46.9175.4-66.8159.3000109.9L145 G151 V152 V153 L181 L182 A185 V187 L194L145-I149 WeakPolarHBondContact O-CD1 3.37Å; L145-I149 VanDerWaalsContact O-CG1 3.26Å; L145-I149 WeakPolarHBondContact O-CG1 3.46Å; L145-I149 PolarHBondContact O-N 3.4Å; I149-G151 VanDerWaalsContact C-N 3.28Å; I149-G151 PolarHBondContact O-N 3.11Å; I149-V152 PolarHBondContact O-N 3.2Å; I149-V153 HydrophobicContact CG2-CG2 4.5Å; I149-V153 VanDerWaalsContact O-CG2 3.3Å; I149-V153 WeakPolarHBondContact O-CG2 3.37Å; I149-V153 PolarHBondContact O-N 2.79Å; I149-L181 HydrophobicContact CD1-CB 3.78Å; I149-L182 HydrophobicContact CD1-CD2 3.8Å; I149-L182 HydrophobicContact CG1-CD2 4.12Å; I149-A185 HydrophobicContact CG2-CB 3.76Å; I149-V187 HydrophobicContact CG2-CG2 4.28Å; I149-L194 HydrophobicContact CB-CD2 4.24Å; I149-L194 HydrophobicContact CG1-CD2 3.57Å
150S91.4Very high90.3Very high71 Ų7155.6 Ų55.650%0.49729%0.291SS..Hα-helixtrans-62.4-36.2178.2-57.50000112.3K146 S147 L148 R154K146-S150 WeakPolarHBondContact O-CB 3.42Å; K146-S150 PolarHBondContact O-N 2.98Å; K146-S150 PolarHBondContact O-OG 3.07Å; S147-S150 PolarHBondContact O-N 2.81Å; L148-S150 VanDerWaalsContact C-N 3.29Å; L148-S150 PolarHBondContact O-N 3.32Å; S150-R154 VanDerWaalsContact O-CB 3.31Å; S150-R154 WeakPolarHBondContact O-CB 3.28Å; S150-R154 PolarHBondContact O-N 3.28Å; S150-R154 VanDerWaalsContact O-N 3.13Å
151G92.4Very high90.4Very high11 Ų1150.8 Ų50.811%0.11327%0.266CS..Hα-helixtrans-64.4-51.5174.100000112.5S147 L148 I149 V153 R154 D155S147-G151 PolarHBondContact O-N 2.89Å; L148-G151 WeakPolarHBondContact O-CA 3.26Å; L148-G151 PolarHBondContact O-N 3.21Å; L148-G151 VanDerWaalsContact O-N 3.08Å; I149-G151 VanDerWaalsContact C-N 3.28Å; I149-G151 PolarHBondContact O-N 3.11Å; G151-V153 VanDerWaalsContact C-N 3.31Å; G151-V153 PolarHBondContact O-N 3.4Å; G151-R154 PolarHBondContact O-N 3.31Å; G151-R154 VanDerWaalsContact O-N 3.16Å; G151-D155 WeakPolarHBondContact O-CB 3.03Å; G151-D155 VanDerWaalsContact O-CG 3.28Å; G151-D155 PolarHBondContact O-N 2.95Å
152V93.4Very high90.4Very high4 Ų451.8 Ų51.82%0.02428%0.275CS..Hα-helixtrans-57.6-43.3179.1170.20000111.9L148 I149 V156 S157 I159 V187 L194 A196L148-V152 WeakPolarHBondContact O-CG2 3.45Å; L148-V152 PolarHBondContact O-N 3.19Å; I149-V152 PolarHBondContact O-N 3.2Å; V152-V156 WeakPolarHBondContact O-CA 3.41Å; V152-V156 PolarHBondContact O-N 3.36Å; V152-S157 WeakPolarHBondContact CG1-O 3.47Å; V152-S157 PolarHBondContact O-N 2.96Å; V152-I159 HydrophobicContact CG2-CB 3.82Å; V152-I159 HydrophobicContact CG2-CG2 3.4Å; V152-I159 VanDerWaalsContact CG2-CG2 3.4Å; V152-V187 HydrophobicContact CG1-CG1 4.28Å; V152-L194 HydrophobicContact CB-CD2 4.48Å; V152-L194 HydrophobicContact CG2-CD2 4.31Å; V152-A196 HydrophobicContact CG1-CB 4.02Å
153V92.8Very high90.3Very high45 Ų4559.1 Ų59.127%0.27331%0.307SS..Hα-helixtrans-65.1-43.7177.5172.30000111.7I149 G151 P186 V187I149-V153 HydrophobicContact CG2-CG2 4.5Å; I149-V153 VanDerWaalsContact O-CG2 3.3Å; I149-V153 WeakPolarHBondContact O-CG2 3.37Å; I149-V153 PolarHBondContact O-N 2.79Å; G151-V153 VanDerWaalsContact C-N 3.31Å; G151-V153 PolarHBondContact O-N 3.4Å; V153-P186 HydrophobicContact CG1-CG 3.79Å; V153-P186 HydrophobicContact CG2-CG 3.98Å; V153-V187 HydrophobicContact CG2-CG1 3.39Å
154R92.8Very high90.1Very high168 Ų16859.5 Ų59.563%0.63430%0.303SS*.Hα-helixtrans-67.8-43.8-178.8-179.6-171.861.9-120.4-7.9111.6S150 G151 V156S150-R154 VanDerWaalsContact O-CB 3.31Å; S150-R154 WeakPolarHBondContact O-CB 3.28Å; S150-R154 PolarHBondContact O-N 3.28Å; S150-R154 VanDerWaalsContact O-N 3.13Å; G151-R154 PolarHBondContact O-N 3.31Å; G151-R154 VanDerWaalsContact O-N 3.16Å; R154-V156 VanDerWaalsContact C-N 3.29Å
155D91.2Very high89.8Confident95 Ų9555.4 Ų55.451%0.50828%0.284SS..Hα-helixtrans-88.1-3.8-172.3-55.6-24.8000111.7G151 S157G151-D155 WeakPolarHBondContact O-CB 3.03Å; G151-D155 VanDerWaalsContact O-CG 3.28Å; G151-D155 PolarHBondContact O-N 2.95Å; D155-S157 VanDerWaalsContact C-N 3.34Å; D155-S157 PolarHBondContact O-N 2.99Å
156V90.7Very high89.2Confident40 Ų4055.5 Ų55.524%0.24229%0.285CS..THydrogen-bonded Turntrans51.255.8-179-172.80000109.9V152 R154 K198 F199V152-V156 WeakPolarHBondContact O-CA 3.41Å; V152-V156 PolarHBondContact O-N 3.36Å; R154-V156 VanDerWaalsContact C-N 3.29Å; V156-K198 HydrophobicContact CB-CB 4.49Å; V156-K198 HydrophobicContact CG1-CB 3.5Å; V156-K198 HydrophobicContact CG2-CB 4.21Å; V156-K198 HydrophobicContact CG2-CD 4.19Å; V156-F199 HydrophobicContact CG1-CB 4.18Å; V156-F199 WeakPolarHBondContact O-CD2 3.4Å
157S90.9Very high88.4Confident36 Ų3657.3 Ų57.325%0.25230%0.3SS..  trans-129.2-164.6-169.4670000112V152 D155 A196V152-S157 WeakPolarHBondContact CG1-O 3.47Å; V152-S157 PolarHBondContact O-N 2.96Å; D155-S157 VanDerWaalsContact C-N 3.34Å; D155-S157 PolarHBondContact O-N 2.99Å; S157-A196 PolarHBondContact O-N 3.08Å
158W92Very high87.4Confident63 Ų6355.3 Ų55.324%0.23929%0.292CS..EExtended strand (participates in β ladder)trans-130.9159.5172.161.1-88.2000108.9Y193 L194 I195 F199 D323 P325 V328W158-Y193 HydrophobicContact CE3-CD1 4.12Å; W158-Y193 HydrophobicContact CE3-CE1 4.49Å; W158-Y193 HydrophobicContact CZ3-CD1 4.31Å; W158-Y193 HydrophobicContact CZ3-CE1 4.24Å; W158-L194 CarbonylContact C-O 3.58Å; W158-L194 WeakPolarHBondContact CA-O 3.38Å; W158-I195 HydrophobicContact CB-CG1 4.15Å; W158-F199 AromaticContact CD1-CZ 3.83Å; W158-D323 WeakPolarHBondContact CZ2-O 3.21Å; W158-P325 HydrophobicContact CH2-CG 3.68Å; W158-P325 HydrophobicContact CZ2-CG 4.3Å; W158-P325 HydrophobicContact CZ3-CG 4.04Å; W158-V328 HydrophobicContact CD2-CG2 4.32Å; W158-V328 HydrophobicContact CE3-CG2 4.05Å; W158-V328 HydrophobicContact CG-CG1 4.27Å; W158-V328 HydrophobicContact CZ3-CG2 4.41Å
159I91.4Very high86.6Confident34 Ų3453.8 Ų53.817%0.17428%0.284CS..EExtended strand (participates in β ladder)trans-146.8145.8173-165.8170.2000110.7L148 V152 L161 Y164 Y193 L194L148-I159 HydrophobicContact CB-CD1 4.42Å; L148-I159 HydrophobicContact CD1-CD1 4.3Å; L148-I159 HydrophobicContact CD2-CD1 3.72Å; L148-I159 HydrophobicContact CG-CD1 4.35Å; V152-I159 HydrophobicContact CG2-CB 3.82Å; V152-I159 HydrophobicContact CG2-CG2 3.4Å; V152-I159 VanDerWaalsContact CG2-CG2 3.4Å; I159-L161 HydrophobicContact CG2-CD2 3.94Å; I159-Y164 HydrophobicContact CD1-CE2 4.06Å; I159-Y193 WeakPolarHBondContact O-CA 3.3Å; I159-L194 HydrophobicContact CG2-CB 3.89Å; I159-L194 HydrophobicContact CG2-CD2 4.31Å; I159-L194 PolarHBondContact N-O 3.16Å; I159-L194 PolarHBondContact O-N 2.87Å
160D90.6Very high85.8Confident39 Ų3956.6 Ų56.621%0.20930%0.299CS..EExtended strand (participates in β ladder)trans-85.9119.7170-174.51.6000110.6S162 Y193D160-S162 VanDerWaalsContact C-N 3.34Å; D160-S162 WeakPolarHBondContact OD1-CB 3.49Å; D160-S162 PolarHBondContact OD1-N 3.08Å; D160-S162 PolarHBondContact OD1-OG 3.25Å; D160-S162 PolarHBondContact OD2-OG 3.34Å; D160-Y193 HydrophobicContact CB-CD1 3.97Å; D160-Y193 HydrophobicContact CB-CE1 3.76Å
161L87.8Confident84.9Confident4 Ų456.9 Ų56.92%0.02130%0.301CS..  trans-86.2-2.9178.2-61.4-177.9000113.6L145 L148 I159 H163 Y164 I165 V178 L189 T192 L194L145-L161 HydrophobicContact CD2-CD2 4.14Å; L148-L161 HydrophobicContact CD1-CD2 4.26Å; I159-L161 HydrophobicContact CG2-CD2 3.94Å; L161-H163 PolarHBondContact O-N 2.83Å; L161-H163 VanDerWaalsContact O-N 3.14Å; L161-Y164 HydrophobicContact CD2-CD2 4.46Å; L161-Y164 PolarHBondContact O-N 3.32Å; L161-I165 HydrophobicContact CB-CD1 3.77Å; L161-I165 HydrophobicContact CB-CG1 4.29Å; L161-I165 HydrophobicContact CD1-CD1 4.33Å; L161-I165 PolarHBondContact O-N 2.87Å; L161-V178 HydrophobicContact CD1-CG1 4.38Å; L161-L189 HydrophobicContact CD1-CD1 3.95Å; L161-T192 WeakPolarHBondContact CB-O 3.28Å; L161-T192 PolarHBondContact N-O 3.02Å; L161-L194 HydrophobicContact CD1-CB 3.99Å; L161-L194 HydrophobicContact CG-CB 4.15Å
162S85.2Confident84.1Confident38 Ų3861.7 Ų61.727%0.26632%0.324SS..THydrogen-bonded Turntrans-55.1-34.9-176.3-59.30000113.4D160 T192D160-S162 VanDerWaalsContact C-N 3.34Å; D160-S162 WeakPolarHBondContact OD1-CB 3.49Å; D160-S162 PolarHBondContact OD1-N 3.08Å; D160-S162 PolarHBondContact OD1-OG 3.25Å; D160-S162 PolarHBondContact OD2-OG 3.34Å; S162-T192 WeakPolarHBondContact OG-CB 3.37Å; S162-T192 WeakPolarHBondContact OG-CG2 3.38Å
163H84Confident83.3Confident169 Ų16964 Ų6478%0.78233%0.334SS*.THydrogen-bonded Turntrans-87.3-13.5-179.2-62.5-53.6000114.6L161L161-H163 PolarHBondContact O-N 2.83Å; L161-H163 VanDerWaalsContact O-N 3.14Å
164Y83.5Confident82.6Confident96 Ų9666.1 Ų66.138%0.37634%0.338SS..THydrogen-bonded Turntrans-98.7-16.6-177.8-61.9-79.9000112.6L148 I159 L161L148-Y164 HydrophobicContact CD1-CD1 3.56Å; L148-Y164 HydrophobicContact CD1-CD2 3.67Å; L148-Y164 HydrophobicContact CD1-CE1 3.68Å; L148-Y164 HydrophobicContact CD1-CE2 3.79Å; L148-Y164 HydrophobicContact CD1-CG 3.54Å; L148-Y164 HydrophobicContact CD2-CE1 4.35Å; I159-Y164 HydrophobicContact CD1-CE2 4.06Å; L161-Y164 HydrophobicContact CD2-CD2 4.46Å; L161-Y164 PolarHBondContact O-N 3.32Å
165I81.4Confident81.8Confident18 Ų1860 Ų609%0.09232%0.32CS..SBendtrans-105.6133.8-178.2-60.8175.4000109.1L145 L161 N167 L169 R174 V178L145-I165 HydrophobicContact CD2-CG1 4.46Å; L161-I165 HydrophobicContact CB-CD1 3.77Å; L161-I165 HydrophobicContact CB-CG1 4.29Å; L161-I165 HydrophobicContact CD1-CD1 4.33Å; L161-I165 PolarHBondContact O-N 2.87Å; I165-N167 PolarHBondContact O-N 3.36Å; I165-L169 HydrophobicContact CG2-CD1 3.94Å; I165-R174 HydrophobicContact CG2-CG 3.78Å; I165-V178 HydrophobicContact CD1-CG2 3.71Å
166P77.2Confident81.1Confident7 Ų758.1 Ų58.15%0.04532%0.318CS..  trans-57.5126.7175.4-27.536.7000113Y104 L135 G168 L169Y104-P166 HydrophobicContact CD1-CB 3.64Å; Y104-P166 HydrophobicContact CD1-CG 3.5Å; Y104-P166 VanDerWaalsContact CD1-CG 3.5Å; Y104-P166 HydrophobicContact CD2-CB 3.93Å; Y104-P166 HydrophobicContact CD2-CG 4.34Å; Y104-P166 HydrophobicContact CE1-CB 3.72Å; Y104-P166 HydrophobicContact CE1-CG 4.04Å; Y104-P166 HydrophobicContact CE2-CB 3.98Å; Y104-P166 HydrophobicContact CG-CB 3.74Å; Y104-P166 HydrophobicContact CG-CG 3.66Å; L135-P166 HydrophobicContact CD2-CB 4.26Å; L135-P166 HydrophobicContact CD2-CG 4.26Å; P166-G168 PolarHBondContact O-N 2.89Å; P166-G168 VanDerWaalsContact O-N 3.11Å; P166-L169 PolarHBondContact O-N 3.35Å
167N74Confident80.6Confident138 Ų13856.8 Ų56.874%0.73831%0.31SS*.THydrogen-bonded Turntrans-61.3-20-179.9-69.3-20.1000114.4I165 L169I165-N167 PolarHBondContact O-N 3.36Å; N167-L169 PolarHBondContact O-N 2.94Å
168G70.7Confident80.3Confident38 Ų3855.2 Ų55.239%0.39230%0.298SS..THydrogen-bonded Turntrans-69.8-13.2178.800000114.8E106 P166E106-G168 VanDerWaalsContact OE1-CA 3.23Å; E106-G168 WeakPolarHBondContact OE1-CA 3.43Å; P166-G168 PolarHBondContact O-N 2.89Å; P166-G168 VanDerWaalsContact O-N 3.11Å
169L73.8Confident79.9Confident3 Ų355.7 Ų55.72%0.01631%0.306CS..SBendtrans-79.6136.8-179.9-68.9178.3000111.6L135 I165 P166 N167 E173 R174 L177L135-L169 HydrophobicContact CB-CD2 3.85Å; L135-L169 HydrophobicContact CD2-CD1 3.76Å; L135-L169 HydrophobicContact CD2-CD2 3.2Å; L135-L169 HydrophobicContact CD2-CG 3.51Å; L135-L169 HydrophobicContact CG-CD2 4.04Å; I165-L169 HydrophobicContact CG2-CD1 3.94Å; P166-L169 PolarHBondContact O-N 3.35Å; N167-L169 PolarHBondContact O-N 2.94Å; L169-E173 HydrophobicContact CB-CB 4.29Å; L169-E173 HydrophobicContact CD2-CB 3.73Å; L169-E173 HydrophobicContact CD2-CG 4.48Å; L169-E173 WeakPolarHBondContact CD2-OE2 3.26Å; L169-R174 HydrophobicContact CB-CG 3.5Å; L169-R174 HydrophobicContact CD1-CG 4.16Å; L169-R174 HydrophobicContact CG-CG 4.49Å; L169-R174 VanDerWaalsContact O-CZ 3.25Å; L169-R174 PolarHBondContact O-NE 2.82Å; L169-R174 PolarHBondContact O-NH2 3.46Å; L169-L177 HydrophobicContact CD1-CD2 4.15Å
170D74.4Confident79.5Confident71 Ų7157.8 Ų57.838%0.3832%0.322SS..  trans-71.5168.8166.478.618.2000111.4N172 E173 R174D170-N172 PolarHBondContact O-N 3.02Å; D170-N172 WeakPolarHBondContact OD1-CA 3.37Å; D170-N172 WeakPolarHBondContact OD1-CB 3.47Å; D170-N172 PolarHBondContact OD1-N 2.86Å; D170-E173 PolarHBondContact N-OE2 3.04Å; D170-E173 VanDerWaalsContact N-OE2 3.08Å; D170-E173 PolarHBondContact O-N 3.41Å; D170-E173 WeakPolarHBondContact OD1-CB 3.25Å; D170-E173 VanDerWaalsContact OD1-CG 3.23Å; D170-E173 WeakPolarHBondContact OD1-CG 3.48Å; D170-E173 PolarHBondContact OD1-N 2.89Å; D170-R174 VanDerWaalsContact O-CG 3.26Å; D170-R174 WeakPolarHBondContact O-CG 3.44Å; D170-R174 PolarHBondContact O-N 3.01Å
171S73.8Confident79.1Confident77 Ų7757.8 Ų57.854%0.53832%0.321SS..Hα-helixtrans-59.9-33.3-17952.90000113S175S171-S175 WeakPolarHBondContact O-CB 3.36Å; S171-S175 PolarHBondContact O-N 3.19Å; S171-S175 VanDerWaalsContact O-N 3.07Å
172N75.1Confident79.1Confident113 Ų11358.5 Ų58.560%0.60433%0.325SS*.Hα-helixtrans-73.4-44.2-178.2-63.8-35.9000110.8D170 S175 A176D170-N172 PolarHBondContact O-N 3.02Å; D170-N172 WeakPolarHBondContact OD1-CA 3.37Å; D170-N172 WeakPolarHBondContact OD1-CB 3.47Å; D170-N172 PolarHBondContact OD1-N 2.86Å; N172-S175 PolarHBondContact O-N 2.9Å; N172-S175 PolarHBondContact O-OG 3.23Å; N172-A176 WeakPolarHBondContact O-CB 3.46Å; N172-A176 PolarHBondContact O-N 2.93Å
173E76Confident78.9Confident51 Ų5164.9 Ų64.924%0.23835%0.348CS..Hα-helixtrans-66.8-39.5177.4-66.4169156.600111.3L169 D170 S175 A176 L177L169-E173 HydrophobicContact CB-CB 4.29Å; L169-E173 HydrophobicContact CD2-CB 3.73Å; L169-E173 HydrophobicContact CD2-CG 4.48Å; L169-E173 WeakPolarHBondContact CD2-OE2 3.26Å; D170-E173 PolarHBondContact N-OE2 3.04Å; D170-E173 VanDerWaalsContact N-OE2 3.08Å; D170-E173 PolarHBondContact O-N 3.41Å; D170-E173 WeakPolarHBondContact OD1-CB 3.25Å; D170-E173 VanDerWaalsContact OD1-CG 3.23Å; D170-E173 WeakPolarHBondContact OD1-CG 3.48Å; D170-E173 PolarHBondContact OD1-N 2.89Å; E173-S175 VanDerWaalsContact C-N 3.33Å; E173-S175 PolarHBondContact O-N 3.05Å; E173-A176 PolarHBondContact O-N 3.5Å; E173-L177 PolarHBondContact O-N 3.37Å
174R78.2Confident78.7Confident91 Ų9164.7 Ų64.734%0.34335%0.353SS..Hα-helixtrans-58.6-47.8171.1-69.7-176.5-132.1138.52.2110.9I165 L169 D170 A176 L177 V178I165-R174 HydrophobicContact CG2-CG 3.78Å; L169-R174 HydrophobicContact CB-CG 3.5Å; L169-R174 HydrophobicContact CD1-CG 4.16Å; L169-R174 HydrophobicContact CG-CG 4.49Å; L169-R174 VanDerWaalsContact O-CZ 3.25Å; L169-R174 PolarHBondContact O-NE 2.82Å; L169-R174 PolarHBondContact O-NH2 3.46Å; D170-R174 VanDerWaalsContact O-CG 3.26Å; D170-R174 WeakPolarHBondContact O-CG 3.44Å; D170-R174 PolarHBondContact O-N 3.01Å; R174-A176 VanDerWaalsContact C-N 3.28Å; R174-A176 PolarHBondContact O-N 2.86Å; R174-L177 PolarHBondContact O-N 3.38Å; R174-V178 WeakPolarHBondContact O-CG2 3.37Å; R174-V178 PolarHBondContact O-N 3.33Å
175S76.5Confident78.9Confident39 Ų3961.4 Ų61.427%0.27335%0.345SS..Hα-helixtrans-62.8-37.317785.20000111.5S171 N172 E173 L177 V178 N179S171-S175 WeakPolarHBondContact O-CB 3.36Å; S171-S175 PolarHBondContact O-N 3.19Å; S171-S175 VanDerWaalsContact O-N 3.07Å; N172-S175 PolarHBondContact O-N 2.9Å; N172-S175 PolarHBondContact O-OG 3.23Å; E173-S175 VanDerWaalsContact C-N 3.33Å; E173-S175 PolarHBondContact O-N 3.05Å; S175-L177 VanDerWaalsContact C-N 3.32Å; S175-L177 PolarHBondContact O-N 2.81Å; S175-V178 PolarHBondContact O-N 3.18Å; S175-N179 WeakPolarHBondContact CB-ND2 3.3Å; S175-N179 WeakPolarHBondContact O-CA 3.44Å; S175-N179 WeakPolarHBondContact O-CB 3.41Å; S175-N179 PolarHBondContact O-N 2.62Å; S175-N179 PolarHBondContact O-ND2 3.14Å
176A76.3Confident79.4Confident56 Ų5663.4 Ų63.446%0.46336%0.359SS..Hα-helixtrans-68-30.3177.200000112.7N172 E173 R174 P180N172-A176 WeakPolarHBondContact O-CB 3.46Å; N172-A176 PolarHBondContact O-N 2.93Å; E173-A176 PolarHBondContact O-N 3.5Å; R174-A176 VanDerWaalsContact C-N 3.28Å; R174-A176 PolarHBondContact O-N 2.86Å; A176-P180 WeakPolarHBondContact O-CD 3.16Å; A176-P180 WeakPolarHBondContact O-CG 3.35Å
177L79.5Confident80Confident12 Ų1263.6 Ų63.66%0.06336%0.361CS..Hα-helixtrans-75.2-43.6173.6179.564000111.8L132 V142 L145 L169 E173 R174 S175L132-L177 HydrophobicContact CD1-CB 4.28Å; L132-L177 HydrophobicContact CD1-CD1 4.21Å; V142-L177 HydrophobicContact CG2-CD1 4.06Å; L145-L177 HydrophobicContact CD1-CD2 4.45Å; L169-L177 HydrophobicContact CD1-CD2 4.15Å; E173-L177 PolarHBondContact O-N 3.37Å; R174-L177 PolarHBondContact O-N 3.38Å; S175-L177 VanDerWaalsContact C-N 3.32Å; S175-L177 PolarHBondContact O-N 2.81Å
178V84.2Confident80.7Confident2 Ų261.2 Ų61.21%0.01234%0.344CS..Hα-helixtrans-88.6-45.2-171-176.10000112.4L161 I165 R174 S175 P180 L181 L182 L189L161-V178 HydrophobicContact CD1-CG1 4.38Å; I165-V178 HydrophobicContact CD1-CG2 3.71Å; R174-V178 WeakPolarHBondContact O-CG2 3.37Å; R174-V178 PolarHBondContact O-N 3.33Å; S175-V178 PolarHBondContact O-N 3.18Å; V178-P180 VanDerWaalsContact C-CD 3.41Å; V178-P180 VanDerWaalsContact C-N 3.34Å; V178-L181 WeakPolarHBondContact O-CA 3.43Å; V178-L181 VanDerWaalsContact O-CB 3.28Å; V178-L181 WeakPolarHBondContact O-CB 3.32Å; V178-L181 PolarHBondContact O-N 2.88Å; V178-L182 HydrophobicContact CG1-CD1 3.82Å; V178-L182 HydrophobicContact CG1-CD2 4.03Å; V178-L182 HydrophobicContact CG1-CG 3.89Å; V178-L182 WeakPolarHBondContact O-CG 3.29Å; V178-L182 PolarHBondContact O-N 2.84Å; V178-L189 HydrophobicContact CB-CD2 4.17Å; V178-L189 HydrophobicContact CG1-CD2 3.95Å
179N84.4Confident81.5Confident74 Ų7461.7 Ų61.740%0.39634%0.337SS..Hα-helixtrans-53.4-39.4-175.3-69.3-18.9000114.4S175 L181 L182 K183S175-N179 WeakPolarHBondContact CB-ND2 3.3Å; S175-N179 WeakPolarHBondContact O-CA 3.44Å; S175-N179 WeakPolarHBondContact O-CB 3.41Å; S175-N179 PolarHBondContact O-N 2.62Å; S175-N179 PolarHBondContact O-ND2 3.14Å; N179-L181 PolarHBondContact O-N 3.5Å; N179-L182 PolarHBondContact O-N 2.87Å; N179-L182 VanDerWaalsContact O-N 3.08Å; N179-K183 PolarHBondContact O-N 2.82Å
180P83Confident82Confident78 Ų7863 Ų6351%0.50634%0.344SS..Hα-helixtrans-60-28.7174.6-24.535.5000113.8A176 V178A176-P180 WeakPolarHBondContact O-CD 3.16Å; A176-P180 WeakPolarHBondContact O-CG 3.35Å; V178-P180 VanDerWaalsContact C-CD 3.41Å; V178-P180 VanDerWaalsContact C-N 3.34Å
181L83.3Confident82.3Confident38 Ų3867.6 Ų67.620%0.19936%0.363CS..Hα-helixtrans-80.5-19.6177.5-52.4177.2000112.5V142 L145 K146 I149 V178 N179V142-L181 HydrophobicContact CG1-CD1 4.18Å; V142-L181 HydrophobicContact CG1-CD2 3.9Å; L145-L181 HydrophobicContact CB-CD1 3.92Å; L145-L181 HydrophobicContact CD1-CD1 4.19Å; K146-L181 HydrophobicContact CG-CD2 4.19Å; I149-L181 HydrophobicContact CD1-CB 3.78Å; V178-L181 WeakPolarHBondContact O-CA 3.43Å; V178-L181 VanDerWaalsContact O-CB 3.28Å; V178-L181 WeakPolarHBondContact O-CB 3.32Å; V178-L181 PolarHBondContact O-N 2.88Å; N179-L181 PolarHBondContact O-N 3.5Å
182L85.7Confident82.7Confident19 Ų1965.8 Ų65.810%0.09935%0.349CS..Hα-helixtrans-92.6-17.9-176.1-54.8-177.4000114.1I149 V178 N179 D184 A185 V187 L189 L194I149-L182 HydrophobicContact CD1-CD2 3.8Å; I149-L182 HydrophobicContact CG1-CD2 4.12Å; V178-L182 HydrophobicContact CG1-CD1 3.82Å; V178-L182 HydrophobicContact CG1-CD2 4.03Å; V178-L182 HydrophobicContact CG1-CG 3.89Å; V178-L182 WeakPolarHBondContact O-CG 3.29Å; V178-L182 PolarHBondContact O-N 2.84Å; N179-L182 PolarHBondContact O-N 2.87Å; N179-L182 VanDerWaalsContact O-N 3.08Å; L182-D184 PolarHBondContact O-N 2.88Å; L182-A185 PolarHBondContact O-N 2.88Å; L182-V187 HydrophobicContact CD2-CG2 3.71Å; L182-L189 HydrophobicContact CD1-CB 3.58Å; L182-L189 HydrophobicContact CD1-CD2 4.24Å; L182-L194 HydrophobicContact CD1-CD1 4.38Å; L182-L194 HydrophobicContact CD2-CD1 3.7Å
183K81.4Confident83.4Confident172 Ų17261.7 Ų61.775%0.74833%0.325SS*.THydrogen-bonded Turntrans-51.3-33.9-170-75.9-174177.6-1780114.8N179N179-K183 PolarHBondContact O-N 2.82Å
184D81.2Confident84.1Confident166 Ų16659.3 Ų59.389%0.88831%0.314SS*.THydrogen-bonded Turntrans-110.34.3-177.8-58.7-47000113.3L182L182-D184 PolarHBondContact O-N 2.88Å
185A87.1Confident84.8Confident26 Ų2655 Ų5522%0.21530%0.297CS..SBendtrans-102.8136.8-175.100000111.1I149 L182 V187I149-A185 HydrophobicContact CG2-CB 3.76Å; L182-A185 PolarHBondContact O-N 2.88Å; A185-V187 HydrophobicContact CB-CG2 3.64Å; A185-V187 PolarHBondContact O-N 2.82Å
186P90.9Very high85.6Confident60 Ų6053.2 Ų53.239%0.3929%0.285SS..SBendtrans-78.462.2179.634-36.5000111.2V153 D197V153-P186 HydrophobicContact CG1-CG 3.79Å; V153-P186 HydrophobicContact CG2-CG 3.98Å; P186-D197 VanDerWaalsContact CA-OD2 3.29Å; P186-D197 WeakPolarHBondContact CA-OD2 3.5Å; P186-D197 HydrophobicContact CB-CB 4.45Å; P186-D197 PolarHBondContact O-N 2.85Å
187V90.1Very high86.4Confident12 Ų1252.8 Ų52.87%0.07328%0.275CS..EExtended strand (participates in β ladder)trans-141.3150.3-174.8-64.50000110I149 V152 V153 L182 A185 L194 I195I149-V187 HydrophobicContact CG2-CG2 4.28Å; V152-V187 HydrophobicContact CG1-CG1 4.28Å; V153-V187 HydrophobicContact CG2-CG1 3.39Å; L182-V187 HydrophobicContact CD2-CG2 3.71Å; A185-V187 HydrophobicContact CB-CG2 3.64Å; A185-V187 PolarHBondContact O-N 2.82Å; V187-L194 HydrophobicContact CB-CD1 3.77Å; V187-L194 HydrophobicContact CB-CG 4.23Å; V187-L194 HydrophobicContact CG2-CD1 3.73Å; V187-I195 CarbonylContact C-O 3.52Å; V187-I195 VanDerWaalsContact CA-O 3.24Å; V187-I195 WeakPolarHBondContact CA-O 3.47Å
188K88.4Confident87Confident88 Ų8858.2 Ų58.238%0.38330%0.298SS..EExtended strand (participates in β ladder)trans-117.1133.6172.4-67.9-178.1-174.3179.90109.9I195 D197 I200 V335K188-I195 PolarHBondContact N-O 3.37Å; K188-I195 PolarHBondContact O-N 3.07Å; K188-D197 VanDerWaalsContact CE-OD1 3.32Å; K188-D197 WeakPolarHBondContact CE-OD1 3.24Å; K188-D197 WeakPolarHBondContact CG-OD1 3.2Å; K188-I200 HydrophobicContact CD-CD1 3.84Å; K188-V335 HydrophobicContact CD-CG1 4.44Å
189L87.6Confident87.4Confident47 Ų4758.9 Ų58.925%0.24630%0.301CS..EExtended strand (participates in β ladder)trans-93.4115.6169.6179.568.1000108.5L161 V178 L182 Y193 L194L161-L189 HydrophobicContact CD1-CD1 3.95Å; V178-L189 HydrophobicContact CB-CD2 4.17Å; V178-L189 HydrophobicContact CG1-CD2 3.95Å; L182-L189 HydrophobicContact CD1-CB 3.58Å; L182-L189 HydrophobicContact CD1-CD2 4.24Å; L189-Y193 WeakPolarHBondContact CA-O 3.22Å; L189-L194 HydrophobicContact CB-CD1 4.49Å
190L83.8Confident87.8Confident32 Ų3256 Ų5617%0.16829%0.285CS..EExtended strand (participates in β ladder)trans-114.4102.2175.2-56.6178.6000107.2T192 Y193 I195 Q331 V335L190-T192 PolarHBondContact O-N 3.35Å; L190-Y193 PolarHBondContact N-O 2.89Å; L190-Y193 PolarHBondContact O-N 3.32Å; L190-I195 HydrophobicContact CD1-CD1 3.66Å; L190-I195 HydrophobicContact CG-CD1 4.44Å; L190-Q331 HydrophobicContact CB-CB 4.42Å; L190-Q331 HydrophobicContact CD1-CB 3.82Å; L190-Q331 PolarHBondContact O-OE1 2.93Å; L190-V335 HydrophobicContact CD1-CG2 3.9Å; L190-V335 HydrophobicContact CD2-CG2 3.95Å
191E80.8Confident88.1Confident166 Ų16658.1 Ų58.178%0.77629%0.289SS*.THydrogen-bonded Turntrans55.2-89.2-173.5-57.2-173.9157.200113.7Q331E191-Q331 PolarHBondContact OE2-NE2 2.92Å
192T83.4Confident88.5Confident39 Ų3963.6 Ų63.624%0.23931%0.307CS..THydrogen-bonded Turntrans-112.5-16.2178.851.40000113L161 S162 L190L161-T192 WeakPolarHBondContact CB-O 3.28Å; L161-T192 PolarHBondContact N-O 3.02Å; S162-T192 WeakPolarHBondContact OG-CB 3.37Å; S162-T192 WeakPolarHBondContact OG-CG2 3.38Å; L190-T192 PolarHBondContact O-N 3.35Å
193Y89.6Confident88.7Confident28 Ų2862.7 Ų62.711%0.1130%0.302CS..EExtended strand (participates in β ladder)trans-92.8130.1-176.3-61.5-76.3000111.2W158 I159 D160 L189 L190 E327 V328W158-Y193 HydrophobicContact CE3-CD1 4.12Å; W158-Y193 HydrophobicContact CE3-CE1 4.49Å; W158-Y193 HydrophobicContact CZ3-CD1 4.31Å; W158-Y193 HydrophobicContact CZ3-CE1 4.24Å; I159-Y193 WeakPolarHBondContact O-CA 3.3Å; D160-Y193 HydrophobicContact CB-CD1 3.97Å; D160-Y193 HydrophobicContact CB-CE1 3.76Å; L189-Y193 WeakPolarHBondContact CA-O 3.22Å; L190-Y193 PolarHBondContact N-O 2.89Å; L190-Y193 PolarHBondContact O-N 3.32Å; Y193-E327 HydrophobicContact CE2-CB 3.99Å; Y193-V328 HydrophobicContact CD1-CG2 3.61Å; Y193-V328 HydrophobicContact CD2-CG2 4.16Å; Y193-V328 HydrophobicContact CE1-CG2 3.74Å; Y193-V328 HydrophobicContact CE2-CG2 4.28Å; Y193-V328 HydrophobicContact CG-CG2 3.82Å
194L90.9Very high89.1Confident0 Ų057.1 Ų57.10%028%0.278CS..EExtended strand (participates in β ladder)trans-100.7120.8170.5-177.874.4000108.9I149 V152 W158 I159 L161 L182 V187 L189I149-L194 HydrophobicContact CB-CD2 4.24Å; I149-L194 HydrophobicContact CG1-CD2 3.57Å; V152-L194 HydrophobicContact CB-CD2 4.48Å; V152-L194 HydrophobicContact CG2-CD2 4.31Å; W158-L194 CarbonylContact C-O 3.58Å; W158-L194 WeakPolarHBondContact CA-O 3.38Å; I159-L194 HydrophobicContact CG2-CB 3.89Å; I159-L194 HydrophobicContact CG2-CD2 4.31Å; I159-L194 PolarHBondContact N-O 3.16Å; I159-L194 PolarHBondContact O-N 2.87Å; L161-L194 HydrophobicContact CD1-CB 3.99Å; L161-L194 HydrophobicContact CG-CB 4.15Å; L182-L194 HydrophobicContact CD1-CD1 4.38Å; L182-L194 HydrophobicContact CD2-CD1 3.7Å; V187-L194 HydrophobicContact CB-CD1 3.77Å; V187-L194 HydrophobicContact CB-CG 4.23Å; V187-L194 HydrophobicContact CG2-CD1 3.73Å; L189-L194 HydrophobicContact CB-CD1 4.49Å
195I92.7Very high89.5Confident0 Ų052.2 Ų52.20%026%0.261CS..EExtended strand (participates in β ladder)trans-122.4131.7-173-51.2-176.6000109.6W158 V187 K188 L190 F199 I200 V328 V332W158-I195 HydrophobicContact CB-CG1 4.15Å; V187-I195 CarbonylContact C-O 3.52Å; V187-I195 VanDerWaalsContact CA-O 3.24Å; V187-I195 WeakPolarHBondContact CA-O 3.47Å; K188-I195 PolarHBondContact N-O 3.37Å; K188-I195 PolarHBondContact O-N 3.07Å; L190-I195 HydrophobicContact CD1-CD1 3.66Å; L190-I195 HydrophobicContact CG-CD1 4.44Å; I195-F199 HydrophobicContact CG2-CB 4.3Å; I195-F199 HydrophobicContact CG2-CD1 3.61Å; I195-F199 HydrophobicContact CG2-CE1 4.37Å; I195-F199 HydrophobicContact CG2-CG 4.32Å; I195-I200 HydrophobicContact CG2-CD1 4.3Å; I195-I200 HydrophobicContact CG2-CG1 3.92Å; I195-V328 HydrophobicContact CD1-CG1 3.96Å; I195-V332 HydrophobicContact CD1-CG2 3.61Å; I195-V332 HydrophobicContact CG2-CG2 4.5Å
196A93.8Very high89.6Confident2 Ų253.4 Ų53.42%0.01726%0.262CS..EExtended strand (participates in β ladder)trans-68.7139.117400000112.1V152 S157 K198 F199 I200V152-A196 HydrophobicContact CG1-CB 4.02Å; S157-A196 PolarHBondContact O-N 3.08Å; A196-K198 VanDerWaalsContact C-N 3.26Å; A196-K198 PolarHBondContact O-N 3.13Å; A196-F199 HydrophobicContact CB-CB 4.18Å; A196-F199 WeakPolarHBondContact O-CA 3.31Å; A196-F199 VanDerWaalsContact O-CB 3.25Å; A196-F199 WeakPolarHBondContact O-CB 3.37Å; A196-F199 PolarHBondContact O-N 3.36Å; A196-I200 PolarHBondContact O-N 3.14Å
197D92.8Very high89.7Confident47 Ų4750.6 Ų50.625%0.25124%0.243SC..Hα-helixtrans-58.8-40177.1-75.6-33000111.8P186 K188 F199 I200 E201P186-D197 VanDerWaalsContact CA-OD2 3.29Å; P186-D197 WeakPolarHBondContact CA-OD2 3.5Å; P186-D197 HydrophobicContact CB-CB 4.45Å; P186-D197 PolarHBondContact O-N 2.85Å; K188-D197 VanDerWaalsContact CE-OD1 3.32Å; K188-D197 WeakPolarHBondContact CE-OD1 3.24Å; K188-D197 WeakPolarHBondContact CG-OD1 3.2Å; D197-F199 PolarHBondContact O-N 3.49Å; D197-I200 WeakPolarHBondContact O-CA 3.17Å; D197-I200 WeakPolarHBondContact O-CB 3.44Å; D197-I200 PolarHBondContact O-N 3.47Å; D197-E201 PolarHBondContact O-N 2.92Å
198K92.6Very high89.7Confident126 Ų12651.7 Ų51.755%0.54825%0.249SC..Hα-helixtrans-62.5-26.5175.3-70.5-175.8179.8178.30113.4V156 A196 R202V156-K198 HydrophobicContact CB-CB 4.49Å; V156-K198 HydrophobicContact CG1-CB 3.5Å; V156-K198 HydrophobicContact CG2-CB 4.21Å; V156-K198 HydrophobicContact CG2-CD 4.19Å; A196-K198 VanDerWaalsContact C-N 3.26Å; A196-K198 PolarHBondContact O-N 3.13Å; K198-R202 WeakPolarHBondContact O-CB 3.31Å; K198-R202 PolarHBondContact O-N 3.38Å
199F92.2Very high89.7Confident17 Ų1751.7 Ų51.78%0.07526%0.256CS..Hα-helixtrans-71.1-39.2174.3179.3-92.2000110.3V156 W158 I195 A196 D197 R202 C203 L320V156-F199 HydrophobicContact CG1-CB 4.18Å; V156-F199 WeakPolarHBondContact O-CD2 3.4Å; W158-F199 AromaticContact CD1-CZ 3.83Å; I195-F199 HydrophobicContact CG2-CB 4.3Å; I195-F199 HydrophobicContact CG2-CD1 3.61Å; I195-F199 HydrophobicContact CG2-CE1 4.37Å; I195-F199 HydrophobicContact CG2-CG 4.32Å; A196-F199 HydrophobicContact CB-CB 4.18Å; A196-F199 WeakPolarHBondContact O-CA 3.31Å; A196-F199 VanDerWaalsContact O-CB 3.25Å; A196-F199 WeakPolarHBondContact O-CB 3.37Å; A196-F199 PolarHBondContact O-N 3.36Å; D197-F199 PolarHBondContact O-N 3.49Å; F199-R202 WeakPolarHBondContact O-CB 3.41Å; F199-R202 PolarHBondContact O-N 3.35Å; F199-C203 PolarHBondContact O-N 3.27Å; F199-C203 PolarHBondContact O-SG 3.49Å; F199-L320 HydrophobicContact CE1-CD2 4.49Å; F199-L320 HydrophobicContact CE2-CD2 3.88Å; F199-L320 HydrophobicContact CZ-CD2 3.55Å
200I91.7Very high89.9Confident12 Ų1251.1 Ų51.16%0.06225%0.251CS..Hα-helixtrans-65-45.7174.3-58.6173000110.6K188 I195 A196 D197 R202 C203 E204 V335 L336K188-I200 HydrophobicContact CD-CD1 3.84Å; I195-I200 HydrophobicContact CG2-CD1 4.3Å; I195-I200 HydrophobicContact CG2-CG1 3.92Å; A196-I200 PolarHBondContact O-N 3.14Å; D197-I200 WeakPolarHBondContact O-CA 3.17Å; D197-I200 WeakPolarHBondContact O-CB 3.44Å; D197-I200 PolarHBondContact O-N 3.47Å; I200-R202 VanDerWaalsContact C-N 3.27Å; I200-R202 PolarHBondContact O-N 3.42Å; I200-C203 WeakPolarHBondContact O-CA 3.37Å; I200-C203 WeakPolarHBondContact O-CB 3.37Å; I200-C203 PolarHBondContact O-N 3.41Å; I200-E204 PolarHBondContact O-N 2.99Å; I200-V335 HydrophobicContact CD1-CG1 4.38Å; I200-L336 HydrophobicContact CG2-CD2 3.47Å; I200-L336 VanDerWaalsContact CG2-CD2 3.47Å; I200-L336 HydrophobicContact CG2-CG 3.98Å
201E90.9Very high90.1Very high124 Ų12449.6 Ų49.658%0.57924%0.243SC*.Hα-helixtrans-58.5-39.3175-69.1176.4-178.300112D197 C203 E204 A205D197-E201 PolarHBondContact O-N 2.92Å; E201-C203 VanDerWaalsContact C-N 3.33Å; E201-C203 PolarHBondContact O-N 3.17Å; E201-E204 WeakPolarHBondContact O-CB 3.48Å; E201-E204 PolarHBondContact O-N 3.16Å; E201-A205 PolarHBondContact O-N 3.05Å; E201-A205 VanDerWaalsContact O-N 3.17Å
202R89.9Confident90.4Very high153 Ų15345.5 Ų45.558%0.57722%0.223SC*.Hα-helixtrans-64.3-38.5174.8-173.6179.4179.8178.5-1.6111.8K198 F199 I200 A205 F206K198-R202 WeakPolarHBondContact O-CB 3.31Å; K198-R202 PolarHBondContact O-N 3.38Å; F199-R202 WeakPolarHBondContact O-CB 3.41Å; F199-R202 PolarHBondContact O-N 3.35Å; I200-R202 VanDerWaalsContact C-N 3.27Å; I200-R202 PolarHBondContact O-N 3.42Å; R202-A205 WeakPolarHBondContact O-CB 3.25Å; R202-A205 PolarHBondContact O-N 2.91Å; R202-F206 HydrophobicContact CG-CE2 4.1Å; R202-F206 HydrophobicContact CG-CZ 4.05Å; R202-F206 WeakPolarHBondContact O-CD2 3.39Å; R202-F206 PolarHBondContact O-N 3.08Å
203C90.9Very high90.4Very high0 Ų050.4 Ų50.40%024%0.241CC..Hα-helixtrans-64.8-40175.1-67.50000111.9F199 I200 E201 A205 F206 L316 V332 L336F199-C203 PolarHBondContact O-N 3.27Å; F199-C203 PolarHBondContact O-SG 3.49Å; I200-C203 WeakPolarHBondContact O-CA 3.37Å; I200-C203 WeakPolarHBondContact O-CB 3.37Å; I200-C203 PolarHBondContact O-N 3.41Å; E201-C203 VanDerWaalsContact C-N 3.33Å; E201-C203 PolarHBondContact O-N 3.17Å; C203-A205 VanDerWaalsContact C-N 3.29Å; C203-A205 PolarHBondContact O-N 3.45Å; C203-F206 WeakPolarHBondContact O-CB 3.48Å; C203-F206 PolarHBondContact O-N 2.99Å; C203-L316 HydrophobicContact CB-CD2 3.7Å; C203-V332 HydrophobicContact CB-CG1 4.12Å; C203-L336 HydrophobicContact CB-CD1 3.83Å
204E89.8Confident90.2Very high54 Ų5451.6 Ų51.625%0.25225%0.247SC..Hα-helixtrans-58.6-41.4174.5-168.1-177171.600111.7I200 E201 F206 I207 D208 L336 T339 L340I200-E204 PolarHBondContact O-N 2.99Å; E201-E204 WeakPolarHBondContact O-CB 3.48Å; E201-E204 PolarHBondContact O-N 3.16Å; E204-F206 VanDerWaalsContact C-N 3.26Å; E204-F206 PolarHBondContact O-N 2.95Å; E204-I207 PolarHBondContact O-N 3.3Å; E204-D208 PolarHBondContact O-N 3.03Å; E204-L336 HydrophobicContact CB-CD2 4.01Å; E204-T339 WeakPolarHBondContact OE1-CG2 3.5Å; E204-T339 WeakPolarHBondContact OE2-CG2 3.33Å; E204-L340 HydrophobicContact CG-CD2 4.23Å
205A89.5Confident89.8Confident64 Ų6451.7 Ų51.753%0.52925%0.247SC..Hα-helixtrans-61.6-30.6178.800000113.5E201 R202 C203 I207E201-A205 PolarHBondContact O-N 3.05Å; E201-A205 VanDerWaalsContact O-N 3.17Å; R202-A205 WeakPolarHBondContact O-CB 3.25Å; R202-A205 PolarHBondContact O-N 2.91Å; C203-A205 VanDerWaalsContact C-N 3.29Å; C203-A205 PolarHBondContact O-N 3.45Å; A205-I207 VanDerWaalsContact C-N 3.35Å
206F89.9Confident89Confident51 Ų5156 Ų5622%0.22427%0.267CS..Hα-helixtrans-69.4-34.7175.3-62.6-44.2000112.3R202 C203 E204 Q319R202-F206 HydrophobicContact CG-CE2 4.1Å; R202-F206 HydrophobicContact CG-CZ 4.05Å; R202-F206 WeakPolarHBondContact O-CD2 3.39Å; R202-F206 PolarHBondContact O-N 3.08Å; C203-F206 WeakPolarHBondContact O-CB 3.48Å; C203-F206 PolarHBondContact O-N 2.99Å; E204-F206 VanDerWaalsContact C-N 3.26Å; E204-F206 PolarHBondContact O-N 2.95Å; F206-Q319 HydrophobicContact CB-CB 4.26Å; F206-Q319 HydrophobicContact CB-CG 4.14Å; F206-Q319 HydrophobicContact CD1-CB 4.16Å; F206-Q319 HydrophobicContact CD1-CG 4.37Å; F206-Q319 HydrophobicContact CD2-CB 3.9Å; F206-Q319 HydrophobicContact CE1-CB 4.49Å; F206-Q319 HydrophobicContact CE2-CB 4.26Å; F206-Q319 HydrophobicContact CG-CB 3.86Å; F206-Q319 HydrophobicContact CG-CG 4.18Å
207I92Very high88.1Confident0 Ų058.7 Ų58.70%028%0.283CS..Hα-helixtrans-83.8-22.4-176.6-57.7155.9000111.3E204 A205 T209 Y210 L211 V312 I315 L316 L336 L340E204-I207 PolarHBondContact O-N 3.3Å; A205-I207 VanDerWaalsContact C-N 3.35Å; I207-T209 VanDerWaalsContact C-N 3.28Å; I207-T209 PolarHBondContact O-N 3.27Å; I207-T209 VanDerWaalsContact O-N 3.14Å; I207-Y210 HydrophobicContact CG2-CD1 4.3Å; I207-Y210 WeakPolarHBondContact O-CB 3.45Å; I207-Y210 PolarHBondContact O-N 3.24Å; I207-L211 PolarHBondContact O-N 3.47Å; I207-V312 HydrophobicContact CD1-CG1 3.6Å; I207-V312 HydrophobicContact CG1-CG1 4.19Å; I207-V312 HydrophobicContact CG2-CG2 4.38Å; I207-I315 HydrophobicContact CG1-CG2 4.34Å; I207-L316 HydrophobicContact CD1-CD1 4.29Å; I207-L316 HydrophobicContact CD1-CD2 3.88Å; I207-L316 HydrophobicContact CD1-CG 4.09Å; I207-L316 HydrophobicContact CG1-CD2 4.23Å; I207-L316 HydrophobicContact CG1-CG 4.49Å; I207-L336 HydrophobicContact CD1-CD1 3.87Å; I207-L340 HydrophobicContact CB-CD2 4.07Å; I207-L340 HydrophobicContact CD1-CD1 4.11Å; I207-L340 HydrophobicContact CD1-CD2 4.3Å; I207-L340 HydrophobicContact CG2-CD1 4.2Å; I207-L340 HydrophobicContact CG2-CD2 3.71Å
208D90.1Very high87.5Confident35 Ų3556.4 Ų56.419%0.18727%0.271CS..Hα-helixtrans-51.8-41.1-175.7-170.953.4000114.2E204 L211 K212 Y347E204-D208 PolarHBondContact O-N 3.03Å; D208-L211 PolarHBondContact O-N 3.02Å; D208-K212 WeakPolarHBondContact O-CG 3.32Å; D208-K212 PolarHBondContact O-N 3.48Å; D208-K212 WeakPolarHBondContact OD2-CE 3.46Å; D208-K212 IonicContact OD2-NZ 2.72Å; D208-K212 PolarHBondContact OD2-NZ 2.93Å; D208-Y347 WeakPolarHBondContact OD1-CE2 3Å; D208-Y347 VanDerWaalsContact OD1-CZ 3.24Å; D208-Y347 PolarHBondContact OD1-OH 3.06Å; D208-Y347 PolarHBondContact OD2-OH 2.93Å
209T88.8Confident86.6Confident89 Ų8950.8 Ų50.855%0.54625%0.247SC..Hα-helixtrans-69.2-39.2179.762.10000113I207 K213I207-T209 VanDerWaalsContact C-N 3.28Å; I207-T209 PolarHBondContact O-N 3.27Å; I207-T209 VanDerWaalsContact O-N 3.14Å; T209-K213 WeakPolarHBondContact O-CG 3.33Å; T209-K213 PolarHBondContact O-N 3.02Å
210Y91Very high85.4Confident35 Ų3553.6 Ų53.614%0.13726%0.26CS..Hα-helixtrans-65.3-45.4174165.7-94.1000110.1I207 K212 K213 K214 V307 D311 I315I207-Y210 HydrophobicContact CG2-CD1 4.3Å; I207-Y210 WeakPolarHBondContact O-CB 3.45Å; I207-Y210 PolarHBondContact O-N 3.24Å; Y210-K212 PolarHBondContact O-N 3.05Å; Y210-K213 PolarHBondContact O-N 3.17Å; Y210-K214 HydrophobicContact CD1-CG 4.35Å; Y210-K214 HydrophobicContact CD2-CG 4.36Å; Y210-K214 HydrophobicContact CE1-CG 3.93Å; Y210-K214 HydrophobicContact CE2-CD 4.35Å; Y210-K214 HydrophobicContact CE2-CG 3.99Å; Y210-K214 WeakPolarHBondContact O-CG 3.48Å; Y210-K214 PolarHBondContact O-N 3.26Å; Y210-K214 VanDerWaalsContact OH-CE 3.32Å; Y210-K214 WeakPolarHBondContact OH-CE 3.37Å; Y210-V307 HydrophobicContact CE1-CG1 4.3Å; Y210-D311 HydrophobicContact CE1-CB 4.42Å; Y210-D311 HydrophobicContact CE2-CB 3.9Å; Y210-D311 VanDerWaalsContact OH-CB 3.3Å; Y210-D311 WeakPolarHBondContact OH-CB 3.19Å; Y210-D311 PolarHBondContact OH-OD2 3.16Å; Y210-I315 HydrophobicContact CD1-CD1 3.9Å; Y210-I315 HydrophobicContact CD2-CD1 3.66Å; Y210-I315 HydrophobicContact CE1-CD1 4.48Å; Y210-I315 HydrophobicContact CE2-CD1 4.24Å; Y210-I315 HydrophobicContact CG-CD1 3.46Å; Y210-I315 VanDerWaalsContact CG-CD1 3.46Å
211L89.7Confident84.4Confident0 Ų059.2 Ų59.20%029%0.286CS..Hα-helixtrans-62.1-43.9-178.4-162.969.4000112.1I207 D208 K213 K214 A215 F303 V307 L340 S343 F344 Y347I207-L211 PolarHBondContact O-N 3.47Å; D208-L211 PolarHBondContact O-N 3.02Å; L211-K213 VanDerWaalsContact C-N 3.35Å; L211-K213 PolarHBondContact O-N 3.13Å; L211-K214 PolarHBondContact O-N 3.38Å; L211-A215 WeakPolarHBondContact O-CB 3.4Å; L211-A215 PolarHBondContact O-N 3.35Å; L211-F303 HydrophobicContact CD1-CE2 4.31Å; L211-V307 HydrophobicContact CD1-CG1 4.43Å; L211-V307 HydrophobicContact CD1-CG2 3.75Å; L211-L340 HydrophobicContact CD2-CD2 4.32Å; L211-S343 WeakPolarHBondContact CD2-OG 3.29Å; L211-F344 HydrophobicContact CD1-CB 4.06Å; L211-F344 HydrophobicContact CD1-CD2 3.76Å; L211-F344 HydrophobicContact CD1-CG 4.37Å; L211-F344 HydrophobicContact CD2-CB 4.24Å; L211-F344 HydrophobicContact CG-CB 4.24Å; L211-F344 HydrophobicContact CG-CD2 4.14Å; L211-Y347 HydrophobicContact CD2-CD2 4.19Å; L211-Y347 HydrophobicContact CD2-CE2 4.21Å; L211-Y347 HydrophobicContact CG-CD2 4.43Å
212K86.3Confident83.4Confident80 Ų8056.2 Ų56.235%0.34827%0.272SS..Hα-helixtrans-56.5-45.6174.3-77.5172.8-174163.40112.5D208 Y210 A215 Q216 Y347D208-K212 WeakPolarHBondContact O-CG 3.32Å; D208-K212 PolarHBondContact O-N 3.48Å; D208-K212 WeakPolarHBondContact OD2-CE 3.46Å; D208-K212 IonicContact OD2-NZ 2.72Å; D208-K212 PolarHBondContact OD2-NZ 2.93Å; Y210-K212 PolarHBondContact O-N 3.05Å; K212-A215 PolarHBondContact O-N 2.98Å; K212-Q216 VanDerWaalsContact O-CG 3.29Å; K212-Q216 WeakPolarHBondContact O-CG 3.39Å; K212-Q216 PolarHBondContact O-N 3.23Å; K212-Y347 HydrophobicContact CD-CE1 4.15Å; K212-Y347 WeakPolarHBondContact CE-OH 3.19Å; K212-Y347 HydrophobicContact CG-CD1 3.96Å; K212-Y347 HydrophobicContact CG-CD2 4.11Å; K212-Y347 HydrophobicContact CG-CE1 3.73Å; K212-Y347 HydrophobicContact CG-CE2 3.85Å; K212-Y347 HydrophobicContact CG-CG 4.19Å
213K82.8Confident82.3Confident141 Ų14149.4 Ų49.461%0.61325%0.247SC*.Hα-helixtrans-65.1-42.4179-71.5177.4-178.8176.80111.7T209 Y210 L211 Q216 T217T209-K213 WeakPolarHBondContact O-CG 3.33Å; T209-K213 PolarHBondContact O-N 3.02Å; Y210-K213 PolarHBondContact O-N 3.17Å; L211-K213 VanDerWaalsContact C-N 3.35Å; L211-K213 PolarHBondContact O-N 3.13Å; K213-Q216 PolarHBondContact O-N 2.75Å; K213-T217 WeakPolarHBondContact O-CB 3.15Å; K213-T217 PolarHBondContact O-N 3.44Å; K213-T217 PolarHBondContact O-OG1 2.86Å
214K85.6Confident81Confident54 Ų5454.1 Ų54.124%0.23527%0.268CS..Hα-helixtrans-66.2-41.1176.5-69.4-63.2-169.1137.70111.9Y210 L211 T217 A218 Y306 V307 D311 F344Y210-K214 HydrophobicContact CD1-CG 4.35Å; Y210-K214 HydrophobicContact CD2-CG 4.36Å; Y210-K214 HydrophobicContact CE1-CG 3.93Å; Y210-K214 HydrophobicContact CE2-CD 4.35Å; Y210-K214 HydrophobicContact CE2-CG 3.99Å; Y210-K214 WeakPolarHBondContact O-CG 3.48Å; Y210-K214 PolarHBondContact O-N 3.26Å; Y210-K214 VanDerWaalsContact OH-CE 3.32Å; Y210-K214 WeakPolarHBondContact OH-CE 3.37Å; L211-K214 PolarHBondContact O-N 3.38Å; K214-T217 PolarHBondContact O-N 2.98Å; K214-A218 WeakPolarHBondContact O-CB 3.43Å; K214-A218 PolarHBondContact O-N 3.25Å; K214-Y306 VanDerWaalsContact CD-O 3.31Å; K214-Y306 WeakPolarHBondContact CD-O 3.37Å; K214-Y306 PolarHBondContact NZ-O 2.84Å; K214-Y306 VanDerWaalsContact NZ-O 3.12Å; K214-V307 HydrophobicContact CB-CG2 4.43Å; K214-D311 IonicContact NZ-OD2 2.6Å; K214-F344 HydrophobicContact CB-CE2 4.39Å
215A83Confident79.9Confident1 Ų153.1 Ų53.11%0.00827%0.269CS..Hα-helixtrans-62.6-42.7175.500000112.2L211 K212 A218 F219 F344 I348L211-A215 WeakPolarHBondContact O-CB 3.4Å; L211-A215 PolarHBondContact O-N 3.35Å; K212-A215 PolarHBondContact O-N 2.98Å; A215-A218 PolarHBondContact O-N 3.23Å; A215-F219 WeakPolarHBondContact O-CB 3.28Å; A215-F219 PolarHBondContact O-N 3Å; A215-F344 VanDerWaalsContact CA-CE2 3.48Å; A215-F344 HydrophobicContact CB-CD2 3.87Å; A215-F344 HydrophobicContact CB-CE2 3.79Å; A215-I348 HydrophobicContact CB-CG1 4.08Å
216Q76.9Confident78.7Confident91 Ų9150.2 Ų50.243%0.42525%0.245SC..Hα-helixtrans-61.5-44.9173.4-74171.5-12.600111.5K212 K213 A218 F219 H220 L351K212-Q216 VanDerWaalsContact O-CG 3.29Å; K212-Q216 WeakPolarHBondContact O-CG 3.39Å; K212-Q216 PolarHBondContact O-N 3.23Å; K213-Q216 PolarHBondContact O-N 2.75Å; Q216-A218 PolarHBondContact O-N 3.27Å; Q216-F219 PolarHBondContact O-N 3.21Å; Q216-H220 PolarHBondContact O-CD2 2.88Å; Q216-H220 VanDerWaalsContact O-CG 3.3Å; Q216-H220 PolarHBondContact O-N 3.03Å; Q216-L351 HydrophobicContact CG-CD1 4.03Å
217T74.9Confident77.4Confident58 Ų5850.9 Ų50.936%0.35625%0.25SS..Hα-helixtrans-62.5-45.6178.6-52.80000110.8K213 K214 H220 H221 Y306K213-T217 WeakPolarHBondContact O-CB 3.15Å; K213-T217 PolarHBondContact O-N 3.44Å; K213-T217 PolarHBondContact O-OG1 2.86Å; K214-T217 PolarHBondContact O-N 2.98Å; T217-H220 PolarHBondContact O-N 3.22Å; T217-H221 VanDerWaalsContact CG2-CE1 3.49Å; T217-H221 WeakPolarHBondContact CG2-CE1 3.34Å; T217-H221 PolarHBondContact O-N 2.93Å; T217-H221 VanDerWaalsContact O-N 3.1Å; T217-H221 PolarHBondContact O-ND1 3.31Å; T217-Y306 HydrophobicContact CG2-CD1 4.41Å; T217-Y306 HydrophobicContact CG2-CE1 4.03Å
218A79Confident75.8Confident0 Ų054.1 Ų54.10%027%0.273CS..Hα-helixtrans-59.2-47.6175.100000111.7K214 A215 Q216 H220 H221 E222 L302 Y306 F344 I348K214-A218 WeakPolarHBondContact O-CB 3.43Å; K214-A218 PolarHBondContact O-N 3.25Å; A215-A218 PolarHBondContact O-N 3.23Å; Q216-A218 PolarHBondContact O-N 3.27Å; A218-H220 VanDerWaalsContact C-N 3.32Å; A218-H220 PolarHBondContact O-N 3.43Å; A218-H221 PolarHBondContact O-N 3.11Å; A218-E222 WeakPolarHBondContact O-CB 3.33Å; A218-E222 PolarHBondContact O-N 3.38Å; A218-L302 HydrophobicContact CB-CD2 4.02Å; A218-Y306 HydrophobicContact CB-CD1 3.96Å; A218-Y306 HydrophobicContact CB-CD2 3.71Å; A218-Y306 HydrophobicContact CB-CE1 4.15Å; A218-Y306 HydrophobicContact CB-CE2 3.9Å; A218-Y306 HydrophobicContact CB-CG 3.75Å; A218-F344 HydrophobicContact CB-CZ 3.91Å; A218-I348 HydrophobicContact CB-CD1 4.24Å
219F74.3Confident73.6Confident8 Ų853.7 Ų53.74%0.03527%0.273CS..Hα-helixtrans-60.5-39.3177.5-179.1-103000112.7A215 Q216 H223 I226 L351 V352A215-F219 WeakPolarHBondContact O-CB 3.28Å; A215-F219 PolarHBondContact O-N 3Å; Q216-F219 PolarHBondContact O-N 3.21Å; F219-H223 AromaticContact CE1-CD2 3.49Å; F219-H223 VanDerWaalsContact CE1-CD2 3.49Å; F219-H223 WeakPolarHBondContact CE1-CD2 3.22Å; F219-H223 AromaticContact CE1-NE2 4Å; F219-H223 AromaticContact CE2-CD2 3.94Å; F219-H223 AromaticContact CZ-CD2 3.33Å; F219-H223 WeakPolarHBondContact CZ-CD2 3.48Å; F219-H223 AromaticContact CZ-NE2 3.71Å; F219-H223 WeakPolarHBondContact O-CA 3.5Å; F219-H223 VanDerWaalsContact O-CB 3.24Å; F219-H223 WeakPolarHBondContact O-CB 3.32Å; F219-H223 PolarHBondContact O-N 3.27Å; F219-I226 HydrophobicContact CB-CD1 4.45Å; F219-I226 HydrophobicContact CD2-CD1 3.94Å; F219-I226 HydrophobicContact CD2-CG2 4.32Å; F219-I226 HydrophobicContact CE2-CG2 4.33Å; F219-L351 HydrophobicContact CB-CD1 3.81Å; F219-L351 HydrophobicContact CD1-CB 4.01Å; F219-L351 HydrophobicContact CD1-CD1 4.23Å; F219-L351 HydrophobicContact CD2-CB 4.03Å; F219-L351 HydrophobicContact CE1-CB 4.14Å; F219-L351 HydrophobicContact CE2-CB 4.2Å; F219-L351 HydrophobicContact CG-CB 3.93Å; F219-L351 HydrophobicContact CG-CD1 4.02Å; F219-L351 HydrophobicContact CZ-CB 4.23Å; F219-V352 HydrophobicContact CD2-CG2 4.37Å; F219-V352 HydrophobicContact CE2-CG2 3.95Å
220H67.6Low71.2Confident76 Ų7655 Ų5535%0.35228%0.283SS..Hα-helixtrans-69.8-37.8178.8-72.9-48.9000113.8Q216 T217 A218 F360Q216-H220 PolarHBondContact O-CD2 2.88Å; Q216-H220 VanDerWaalsContact O-CG 3.3Å; Q216-H220 PolarHBondContact O-N 3.03Å; T217-H220 PolarHBondContact O-N 3.22Å; A218-H220 VanDerWaalsContact C-N 3.32Å; A218-H220 PolarHBondContact O-N 3.43Å; H220-F360 AromaticContact CE1-CD2 3.81Å; H220-F360 AromaticContact CE1-CE2 3.08Å; H220-F360 WeakPolarHBondContact CE1-CE2 3.44Å; H220-F360 AromaticContact CE1-CZ 3.29Å; H220-F360 WeakPolarHBondContact CE1-CZ 3.36Å; H220-F360 AromaticContact ND1-CE1 3.46Å; H220-F360 WeakPolarHBondContact ND1-CE1 3.39Å; H220-F360 AromaticContact ND1-CE2 3.27Å; H220-F360 VanDerWaalsContact ND1-CE2 3.27Å; H220-F360 WeakPolarHBondContact ND1-CE2 3.27Å; H220-F360 AromaticContact ND1-CZ 2.89Å; H220-F360 WeakPolarHBondContact ND1-CZ 3.25Å
221H69.1Low68.9Low130 Ų13059.4 Ų59.460%0.60231%0.313SS*.Hα-helixtrans-78.4-36.9-178.7-73.286.4000112T217 A218 Y306T217-H221 VanDerWaalsContact CG2-CE1 3.49Å; T217-H221 WeakPolarHBondContact CG2-CE1 3.34Å; T217-H221 PolarHBondContact O-N 2.93Å; T217-H221 VanDerWaalsContact O-N 3.1Å; T217-H221 PolarHBondContact O-ND1 3.31Å; A218-H221 PolarHBondContact O-N 3.11Å; H221-Y306 WeakPolarHBondContact CB-OH 3.26Å
222E71.5Confident66.3Low61 Ų6167.1 Ų67.129%0.28535%0.35SS..SBendtrans-109.822.4-174.9-60.2-71.4164.400111.9A218 H224 A225 I226 L302A218-E222 WeakPolarHBondContact O-CB 3.33Å; A218-E222 PolarHBondContact O-N 3.38Å; E222-H224 VanDerWaalsContact C-N 3.31Å; E222-H224 PolarHBondContact O-N 3.15Å; E222-A225 HydrophobicContact CB-CB 4.43Å; E222-A225 PolarHBondContact O-N 3.4Å; E222-I226 HydrophobicContact CB-CD1 4.16Å; E222-I226 HydrophobicContact CB-CG1 4.4Å; E222-I226 WeakPolarHBondContact O-CG1 3.39Å; E222-I226 PolarHBondContact O-N 3.43Å; E222-L302 HydrophobicContact CB-CD2 4.03Å; E222-L302 HydrophobicContact CG-CD2 3.64Å
223H66.2Low63.7Low10 Ų1072.5 Ų72.55%0.04638%0.376CS..Hα-helixtrans-48.1-49.9-173.8-177.3-107.9000112.8F219 I226 L227 F360 D361 Y420F219-H223 AromaticContact CE1-CD2 3.49Å; F219-H223 VanDerWaalsContact CE1-CD2 3.49Å; F219-H223 WeakPolarHBondContact CE1-CD2 3.22Å; F219-H223 AromaticContact CE1-NE2 4Å; F219-H223 AromaticContact CE2-CD2 3.94Å; F219-H223 AromaticContact CZ-CD2 3.33Å; F219-H223 WeakPolarHBondContact CZ-CD2 3.48Å; F219-H223 AromaticContact CZ-NE2 3.71Å; F219-H223 WeakPolarHBondContact O-CA 3.5Å; F219-H223 VanDerWaalsContact O-CB 3.24Å; F219-H223 WeakPolarHBondContact O-CB 3.32Å; F219-H223 PolarHBondContact O-N 3.27Å; H223-I226 PolarHBondContact O-N 3.03Å; H223-L227 WeakPolarHBondContact CE1-CD1 3.44Å; H223-L227 WeakPolarHBondContact NE2-CD1 3.34Å; H223-L227 WeakPolarHBondContact O-CB 3.02Å; H223-L227 WeakPolarHBondContact O-CG 3.46Å; H223-L227 PolarHBondContact O-N 3.47Å; H223-F360 AromaticContact CD2-CD1 3.94Å; H223-F360 AromaticContact NE2-CD1 3.76Å; H223-D361 IonicContact CE1-OD1 3.13Å; H223-D361 PolarHBondContact CE1-OD1 2.83Å; H223-D361 IonicContact CE1-OD2 3.08Å; H223-D361 IonicContact ND1-OD1 3.69Å; H223-Y420 HydrophobicContact CB-CE2 4.29Å; H223-Y420 PolarHBondContact ND1-OH 2.9Å
224H63.6Low61.1Low98 Ų9873.4 Ų73.445%0.45438%0.383SS..Hα-helixtrans-68.3-42.8180-166.9-77.2000111.5E222 I226 L227 S228E222-H224 VanDerWaalsContact C-N 3.31Å; E222-H224 PolarHBondContact O-N 3.15Å; H224-I226 VanDerWaalsContact C-N 3.26Å; H224-I226 PolarHBondContact O-N 3.26Å; H224-L227 PolarHBondContact O-N 3.19Å; H224-S228 PolarHBondContact ND1-OG 3.45Å; H224-S228 WeakPolarHBondContact O-CB 3.48Å; H224-S228 PolarHBondContact O-N 2.77Å; H224-S228 PolarHBondContact O-OG 3.21Å
225A65.6Low58.2Low33 Ų3376.1 Ų76.127%0.27341%0.408SS..Hα-helixtrans-60.8-37.117800000112E222 L298E222-A225 HydrophobicContact CB-CB 4.43Å; E222-A225 PolarHBondContact O-N 3.4Å; A225-L298 HydrophobicContact CB-CD2 4.12Å
226I64.2Low55.7Low3 Ų381.3 Ų81.32%0.01544%0.439CS..Hα-helixtrans-70.3-45.2177.3-64.7165000110.9F219 E222 H223 H224 S229 L302 I348 V352F219-I226 HydrophobicContact CB-CD1 4.45Å; F219-I226 HydrophobicContact CD2-CD1 3.94Å; F219-I226 HydrophobicContact CD2-CG2 4.32Å; F219-I226 HydrophobicContact CE2-CG2 4.33Å; E222-I226 HydrophobicContact CB-CD1 4.16Å; E222-I226 HydrophobicContact CB-CG1 4.4Å; E222-I226 WeakPolarHBondContact O-CG1 3.39Å; E222-I226 PolarHBondContact O-N 3.43Å; H223-I226 PolarHBondContact O-N 3.03Å; H224-I226 VanDerWaalsContact C-N 3.26Å; H224-I226 PolarHBondContact O-N 3.26Å; I226-S229 PolarHBondContact O-OG 2.9Å; I226-L302 HydrophobicContact CD1-CD1 4.04Å; I226-L302 HydrophobicContact CG1-CD1 4.02Å; I226-I348 HydrophobicContact CD1-CG2 4.23Å; I226-I348 HydrophobicContact CG2-CG2 4.18Å; I226-V352 HydrophobicContact CG2-CG2 3.38Å
227L63.9Low53.2Low65 Ų6584.9 Ų84.934%0.3446%0.456SS..Hα-helixtrans-78.6-30.4-177.9-71.3176.6000114.8H223 H224 S229 V352H223-L227 WeakPolarHBondContact CE1-CD1 3.44Å; H223-L227 WeakPolarHBondContact NE2-CD1 3.34Å; H223-L227 WeakPolarHBondContact O-CB 3.02Å; H223-L227 WeakPolarHBondContact O-CG 3.46Å; H223-L227 PolarHBondContact O-N 3.47Å; H224-L227 PolarHBondContact O-N 3.19Å; L227-S229 PolarHBondContact O-N 3.48Å; L227-V352 HydrophobicContact CD2-CG1 3.91Å
228S57.3Low51.2Low69 Ų6987.6 Ų87.648%0.48347%0.473SS..THydrogen-bonded Turntrans-78.2-1.6177.557.40000113.1H224H224-S228 PolarHBondContact ND1-OG 3.45Å; H224-S228 WeakPolarHBondContact O-CB 3.48Å; H224-S228 PolarHBondContact O-N 2.77Å; H224-S228 PolarHBondContact O-OG 3.21Å
229S45Very low48.9Very low25 Ų2594 Ų9418%0.17551%0.506CS..SBendtrans-58.7123.7168.463.70000109.4I226 L227 T231 S295I226-S229 PolarHBondContact O-OG 2.9Å; L227-S229 PolarHBondContact O-N 3.48Å; S229-T231 PolarHBondContact O-N 2.88Å; S229-S295 PolarHBondContact OG-OG 3Å
230P38.5Very low46.5Very low116 Ų11699.4 Ų99.475%0.75354%0.54SS*.  trans-68.790.7-164.225.4-33.7000111.2Q232P230-Q232 PolarHBondContact O-N 3.05Å
231T41.1Very low44.8Very low128 Ų128101.8 Ų101.879%0.78556%0.563SS**  trans-82.991162.6-43.20000106.3S229 Q233S229-T231 PolarHBondContact O-N 2.88Å; T231-Q233 PolarHBondContact O-N 3.43Å
232Q36.4Very low42.8Very low163 Ų163104.2 Ų104.276%0.76257%0.572SS**  trans11.195.4169.6-66.6-178-3.700115.2P230 Q234P230-Q232 PolarHBondContact O-N 3.05Å; Q232-Q234 VanDerWaalsContact C-N 3.27Å; Q232-Q234 PolarHBondContact O-N 2.82Å
233Q30.9Very low40.7Very low192 Ų192110.2 Ų110.290%0.89760%0.6SS**  trans-59.5101.1150.4-74.2177.4-12.400106.2T231 S235T231-Q233 PolarHBondContact O-N 3.43Å; Q233-S235 PolarHBondContact O-N 3.44Å
234Q28.2Very low39Very low161 Ų161114 Ų11475%0.75263%0.632SS**  trans-61.694.3158.8-80.4179.9-800106.2Q232 V236Q232-Q234 VanDerWaalsContact C-N 3.27Å; Q232-Q234 PolarHBondContact O-N 2.82Å; Q234-V236 PolarHBondContact O-N 3.11Å
235S25.4Very low37.3Very low110 Ų110116.2 Ų116.277%0.76965%0.653SS**  trans-61.383.6159.1530000107Q233 E237Q233-S235 PolarHBondContact O-N 3.44Å; S235-E237 PolarHBondContact O-N 3.45Å
236V30.9Very low35.8Very low110 Ų110120.1 Ų120.167%0.66767%0.673SS**  trans-70.197.2159.6-178.60000104.8Q234 V238Q234-V236 PolarHBondContact O-N 3.11Å; V236-V238 HydrophobicContact CG1-CG2 3.89Å; V236-V238 PolarHBondContact O-N 2.83Å
237E24.4Very low34Very low166 Ų166128.2 Ų128.278%0.77672%0.715SS**  trans-58.680.4171.5-164.8174.4-155.200108.7S235 N239S235-E237 PolarHBondContact O-N 3.45Å; E237-N239 VanDerWaalsContact C-N 3.34Å; E237-N239 PolarHBondContact O-N 2.8Å; E237-N239 VanDerWaalsContact O-N 3.08Å
238V31.9Very low32.4Very low116 Ų116130.2 Ų130.270%0.70374%0.735SS**  trans-80.493.5171.6-177.80000106.9V236 T240V236-V238 HydrophobicContact CG1-CG2 3.89Å; V236-V238 PolarHBondContact O-N 2.83Å; V238-T240 PolarHBondContact O-N 2.92Å; V238-T240 VanDerWaalsContact O-N 3.11Å
239N31Very low30.9Very low133 Ų133137.2 Ų137.271%0.71176%0.757SS**  trans-35.9113.7168-73.5-65.1000111.5E237 P241E237-N239 VanDerWaalsContact C-N 3.34Å; E237-N239 PolarHBondContact O-N 2.8Å; E237-N239 VanDerWaalsContact O-N 3.08Å; N239-P241 WeakPolarHBondContact O-CD 3.47Å
240T24.2Very low30Very low122 Ų122139.6 Ų139.675%0.74879%0.785SS**  trans-61.6115.9177.650.50000111.4V238 K242V238-T240 PolarHBondContact O-N 2.92Å; V238-T240 VanDerWaalsContact O-N 3.11Å; T240-K242 PolarHBondContact O-N 2.98Å
241P31.1Very low29.5Very low126 Ų126137.5 Ų137.582%0.81878%0.784SS**  trans-81.3114.9159.82.717.5000107.5N239N239-P241 WeakPolarHBondContact O-CD 3.47Å
242K27.7Very low28.7Very low182 Ų182141 Ų14179%0.79179%0.789SS**  trans-58.8150.4169.8-70.3170.8174.5171.40110.6T240T240-K242 PolarHBondContact O-N 2.98Å
243Q26.5Very low28.5Very low187 Ų187136.8 Ų136.887%0.87479%0.79SS**  trans76.3107157.6-67.2168.7-1.300118.2
244A30.3Very low28.5Very low88 Ų88137.1 Ų137.173%0.72779%0.789SS**  -173.4105.3110.500000109.5T246A244-T246 PolarHBondContact O-N 3.42Å; A244-T246 VanDerWaalsContact O-N 3.12Å
245V29.2Very low28.7Very low146 Ų146133 Ų13389%0.88579%0.789SS**  trans-67.6103.1164.5174.80000106.9
246T33.1Very low29.2Very low115 Ų115132.6 Ų132.671%0.70679%0.793SS**  trans-129.193.9165.6-270000108.5A244 S248A244-T246 PolarHBondContact O-N 3.42Å; A244-T246 VanDerWaalsContact O-N 3.12Å; T246-S248 VanDerWaalsContact C-N 3.29Å; T246-S248 PolarHBondContact O-N 3.23Å
247L26.8Very low29.5Very low172 Ų172138.8 Ų138.890%0.90180%0.804SS**  trans-72.479176.8-155.580.8000108.6
248S31.2Very low30.4Very low108 Ų108139.8 Ų139.876%0.75581%0.809SS**  trans-102.494.2172.9670000110.8T246T246-S248 VanDerWaalsContact C-N 3.29Å; T246-S248 PolarHBondContact O-N 3.23Å
249K25.3Very low30.9Very low216 Ų216141.4 Ų141.494%0.93981%0.812SS**  trans-57.9119.7164.8-170.5177.9-174.91780110.3
250G26.2Very low31.5Very low74 Ų74144.6 Ų144.676%0.76382%0.819SS**  trans-179.2103169.900000111.3
251G27.4Very low32.6Very low72 Ų72145 Ų14574%0.74282%0.822SS**  94.383.5107.900000111.7
252F25.1Very low32.9Very low201 Ų201148.2 Ų148.288%0.88282%0.823SS**  41.7104.9107.6-100.2-93.4000115.2F254F252-F254 HydrophobicContact CD1-CD2 4.33Å; F252-F254 HydrophobicContact CD1-CE2 4.43Å; F252-F254 HydrophobicContact CE1-CD2 4.31Å; F252-F254 HydrophobicContact CE1-CE2 4.03Å
253G31.1Very low33.3Very low76 Ų76146.3 Ų146.378%0.78482%0.821SS**  trans-16468.3173.200000111.5G255G253-G255 PolarHBondContact O-N 3.18Å
254F30.5Very low33.8Very low199 Ų199144 Ų14487%0.87382%0.82SS**  trans-61118.3165.2-80.6-93.8000109.3F252F252-F254 HydrophobicContact CD1-CD2 4.33Å; F252-F254 HydrophobicContact CD1-CE2 4.43Å; F252-F254 HydrophobicContact CE1-CD2 4.31Å; F252-F254 HydrophobicContact CE1-CE2 4.03Å
255G33Very low34Very low73 Ų73147.8 Ų147.875%0.75382%0.82SS**  trans-174.327.5-179.500000115.8G253 R257G253-G255 PolarHBondContact O-N 3.18Å; G255-R257 PolarHBondContact O-N 2.94Å
256A35.4Very low34.1Very low103 Ų103150 Ų15085%0.85182%0.817SS**  trans-84.788.117500000110.3E258A256-E258 PolarHBondContact O-N 2.96Å
257R37.4Very low33.9Very low240 Ų240153.1 Ų153.191%0.90682%0.821SS**  trans-70.3108.2163.5-90.8177.6171.6175.3-2108.5G255 I259G255-R257 PolarHBondContact O-N 2.94Å; R257-I259 PolarHBondContact O-N 3.31Å
258E44.5Very low34.3Very low187 Ų187154.5 Ų154.587%0.87482%0.816SS**  trans-65.5116.5170.5-74.5-176.7155.200110.9A256A256-E258 PolarHBondContact O-N 2.96Å
259I41.6Very low34.3Very low149 Ų149156.5 Ų156.576%0.76482%0.818SS**  trans-83.4116.6174.2-65168.6000108.3R257 T261R257-I259 PolarHBondContact O-N 3.31Å; I259-T261 HydrophobicContact CG2-CG2 4.49Å; I259-T261 PolarHBondContact O-N 3.34Å; I259-T261 VanDerWaalsContact O-N 3.09Å
260K44Very low34.6Very low200 Ų200151.2 Ų151.287%0.8781%0.806SS**  trans-69.396.1172.1-67.1179.7176.5179.70110.2K262K260-K262 PolarHBondContact O-N 3.04Å
261T46.5Very low34.9Very low130 Ų130152.9 Ų152.980%0.79881%0.806SS**  trans-77.6106.2170.450.20000110.1I259 N263I259-T261 HydrophobicContact CG2-CG2 4.49Å; I259-T261 PolarHBondContact O-N 3.34Å; I259-T261 VanDerWaalsContact O-N 3.09Å; T261-N263 PolarHBondContact O-N 3.2Å
262K39.1Very low35.1Very low195 Ų195159.6 Ų159.685%0.84881%0.814SS**  trans-64123.1170.8-76.5-179.5176.31770109.9K260 V264K260-K262 PolarHBondContact O-N 3.04Å; K262-V264 PolarHBondContact O-N 3.5Å
263N34.6Very low35.2Very low142 Ų142160.6 Ų160.676%0.75981%0.812SS**  trans-37.3108168.4-169.28.4000113.4T261 K265T261-N263 PolarHBondContact O-N 3.2Å; N263-K265 PolarHBondContact O-N 3.03Å
264V37.3Very low35Very low138 Ų138165.5 Ų165.584%0.83681%0.812SS**  trans-85.5102.6169.9176.60000108.2K262 K266K262-V264 PolarHBondContact O-N 3.5Å; V264-K266 PolarHBondContact O-N 3.33Å
265K35.7Very low34.7Very low168 Ų168161.5 Ų161.573%0.7380%0.804SS**  trans-67.2124.6172.2-81.9176.4173.5175.70110.6N263N263-K265 PolarHBondContact O-N 3.03Å
266K30.8Very low34.3Very low192 Ų192162.7 Ų162.784%0.83580%0.801SS**  trans43.8121.2141.4-56.1-168.7177.5-172.50118.1V264V264-K266 PolarHBondContact O-N 3.33Å
267K29.5Very low33.6Very low181 Ų181163 Ų16379%0.78780%0.797SS**  173.2143127.1-96.5171.5-176.7-170.80112.6
268Y33.3Very low33.3Very low201 Ų201156.9 Ų156.979%0.78879%0.791SS**  trans77128.4172.6-55.5-78.5000115.4
269N32.1Very low32.3Very low150 Ų150153.8 Ų153.880%0.80279%0.79SS**  cis-160.1131.336.8-152.213.5000111.2
270P31.3Very low31.6Very low104 Ų104151.5 Ų151.568%0.67579%0.793SS**  trans-90.1148.7174.234-29.6000112.9
271S33Very low31Very low109 Ų109146.5 Ų146.576%0.76279%0.789SS**  trans63.491.1155.7-66.70000119.6
272K32.5Very low30Very low213 Ų213147.8 Ų147.893%0.92679%0.791SS**  trans-96.598.8135.6-80-175.2175.7-179.80106.2
273R26.6Very low29.6Very low223 Ų223145.5 Ų145.584%0.84279%0.788SS**  49122.677.1-84.7-171.2-176174.22.3114.5
274K27.2Very low29.4Very low179 Ų179144.2 Ų144.278%0.77879%0.787SS**  trans108.198.2145.3-80.6-177.4172.9-173.20115.8
275T23.7Very low29Very low115 Ų115145.2 Ų145.271%0.70678%0.783SS**  79.6114.593.457.90000110.3
276S24Very low28.6Very low97 Ų97143.4 Ų143.468%0.67878%0.781SS**  117.3102.197.551.80000107.4
277S21.8Very low28.3Very low110 Ų110141 Ų14177%0.76978%0.777SS**  81.5102103.269.20000114
278S30.2Very low28.2Very low112 Ų112140.6 Ų140.678%0.78378%0.776SS**  trans-178.199.3150.519.60000104.8
279S23.7Very low27.9Very low121 Ų121136.1 Ų136.185%0.84677%0.774SS**  50.8103.178.1-56.90000111.7
280A26.9Very low27.8Very low101 Ų101134.8 Ų134.884%0.83578%0.777SS**  143.8145.4126.300000112.8
281A31.6Very low27.7Very low95 Ų95132.6 Ų132.679%0.78577%0.773SS**  trans7895.4158.400000117D283A281-D283 PolarHBondContact O-N 3.17Å
282N25.5Very low27.8Very low157 Ų157133.3 Ų133.384%0.8477%0.767SS**  trans-50.7121.3147.4-58.3-47.9000109.5
283D30.1Very low28.1Very low148 Ų148125.3 Ų125.379%0.79175%0.745SS**  trans-131.594.8155-108.4-23.8000107.2A281 E285A281-D283 PolarHBondContact O-N 3.17Å; D283-E285 VanDerWaalsContact C-N 3.27Å; D283-E285 PolarHBondContact O-N 2.61Å
284P30.2Very low29.3Very low114 Ų114120.6 Ų120.674%0.7474%0.737SS**  trans-90.960.1175.237.3-30.5000109.3
285E28.8Very low30.6Very low159 Ų159113.6 Ų113.674%0.74371%0.71SS**  trans-143.571.9-179.9-75.6-73.1157.700109.5D283D283-E285 VanDerWaalsContact C-N 3.27Å; D283-E285 PolarHBondContact O-N 2.61Å
286N28.1Very low32.5Very low130 Ų130113.1 Ų113.170%0.69570%0.7SS**  trans-152.290.8149.4-134.6-19.1000111.8F288N286-F288 VanDerWaalsContact C-N 3.27Å; N286-F288 HydrophobicContact CB-CD2 4.23Å; N286-F288 PolarHBondContact O-N 3.08Å; N286-F288 WeakPolarHBondContact OD1-CE2 3.39Å
287N25.1Very low34.6Very low141 Ų141111.8 Ų111.875%0.75469%0.691SS**  trans-5884165-85-49.2000110.6
288F26.6Very low36.9Very low173 Ų173109.2 Ų109.276%0.75967%0.668SS**  trans-101.867.1160.4-84.2-79.1000109.9N286N286-F288 VanDerWaalsContact C-N 3.27Å; N286-F288 HydrophobicContact CB-CD2 4.23Å; N286-F288 PolarHBondContact O-N 3.08Å; N286-F288 WeakPolarHBondContact OD1-CE2 3.39Å
289S26.5Very low38.9Very low107 Ų107104.4 Ų104.475%0.74863%0.634SS**  trans-96.891.9169-64.80000109.1
290S31.1Very low41.4Very low122 Ų122104.3 Ų104.385%0.85362%0.618SS**SBendtrans-156.80.7162.274.10000118.1
291G28.8Very low43.9Very low58 Ų58102.7 Ų102.760%0.59860%0.595SS**SBendtrans-121.4-31.5-176.700000117.1
292I34.2Very low46.2Very low125 Ų12598.4 Ų98.464%0.64156%0.559SS**SBendtrans-91.4-17-172-61.2171.8000111.8D294 Q296I292-D294 PolarHBondContact O-N 3.25Å; I292-Q296 HydrophobicContact CG2-CG 4.08Å; I292-Q296 PolarHBondContact O-N 3.41Å
293G39.9Very low49.1Very low45 Ų4591.4 Ų91.446%0.46452%0.521SS..Hα-helixtrans-60.6-39.7-174.200000113.8Q296 S297G293-Q296 PolarHBondContact O-N 3.22Å; G293-S297 WeakPolarHBondContact O-CB 3.41Å; G293-S297 PolarHBondContact O-N 3.07Å
294D50.6Low51.7Low124 Ų12487.6 Ų87.666%0.66351%0.51SS*.Hα-helixtrans-68.5-44.4-174.7-68.3-8.3000112I292 Q296 S297 L298I292-D294 PolarHBondContact O-N 3.25Å; D294-Q296 PolarHBondContact O-N 3.3Å; D294-S297 PolarHBondContact O-N 2.9Å; D294-S297 PolarHBondContact O-OG 3.24Å; D294-L298 PolarHBondContact O-N 2.88Å
295S55.4Low54.1Low32 Ų3289 Ų8922%0.22450%0.5CS..Hα-helixtrans-63.2-43.1176.2-170.60000111.2S229 S297 L298 I299S229-S295 PolarHBondContact OG-OG 3Å; S295-S297 VanDerWaalsContact C-N 3.34Å; S295-S297 PolarHBondContact O-N 3.5Å; S295-L298 PolarHBondContact O-N 3.32Å; S295-I299 WeakPolarHBondContact O-CG1 3.41Å; S295-I299 PolarHBondContact O-N 3.19Å
296Q63.1Low56.7Low104 Ų10483.3 Ų83.349%0.48647%0.473SS..Hα-helixtrans-66.6-34.6176.9-71.3-174.9-10.100112.7I292 G293 D294 I299 K300I292-Q296 HydrophobicContact CG2-CG 4.08Å; I292-Q296 PolarHBondContact O-N 3.41Å; G293-Q296 PolarHBondContact O-N 3.22Å; D294-Q296 PolarHBondContact O-N 3.3Å; Q296-I299 PolarHBondContact O-N 2.91Å; Q296-K300 WeakPolarHBondContact O-CB 3.48Å; Q296-K300 PolarHBondContact O-N 3.01Å
297S68.7Low59.5Low70 Ų7077.4 Ų77.449%0.4944%0.441SS..Hα-helixtrans-65.7-41.8175.5780000111.9G293 D294 S295 K300 D301G293-S297 WeakPolarHBondContact O-CB 3.41Å; G293-S297 PolarHBondContact O-N 3.07Å; D294-S297 PolarHBondContact O-N 2.9Å; D294-S297 PolarHBondContact O-OG 3.24Å; S295-S297 VanDerWaalsContact C-N 3.34Å; S295-S297 PolarHBondContact O-N 3.5Å; S297-K300 WeakPolarHBondContact O-CB 3.34Å; S297-K300 PolarHBondContact O-N 3.42Å; S297-D301 PolarHBondContact O-N 2.88Å
298L70Confident62.4Low55 Ų5574.9 Ų74.929%0.28843%0.427SS..Hα-helixtrans-62.7-43.6173.8-173.278.4000110.9A225 D294 S295 K300 D301 L302A225-L298 HydrophobicContact CB-CD2 4.12Å; D294-L298 PolarHBondContact O-N 2.88Å; S295-L298 PolarHBondContact O-N 3.32Å; L298-K300 VanDerWaalsContact C-N 3.28Å; L298-K300 PolarHBondContact O-N 3.49Å; L298-D301 PolarHBondContact O-N 3.33Å; L298-L302 HydrophobicContact CG-CD1 4.34Å; L298-L302 WeakPolarHBondContact O-CB 3.47Å; L298-L302 WeakPolarHBondContact O-CG 3.37Å; L298-L302 PolarHBondContact O-N 3.05Å
299I72.2Confident65.3Low12 Ų1268.2 Ų68.26%0.06240%0.399CS..Hα-helixtrans-67-31.8177.7-61165.3000111.4S295 Q296 L302 F303 F344 I345 I348S295-I299 WeakPolarHBondContact O-CG1 3.41Å; S295-I299 PolarHBondContact O-N 3.19Å; Q296-I299 PolarHBondContact O-N 2.91Å; I299-L302 WeakPolarHBondContact O-CB 3.39Å; I299-L302 PolarHBondContact O-N 3.49Å; I299-F303 PolarHBondContact O-N 3.16Å; I299-F344 HydrophobicContact CG2-CD1 4.27Å; I299-F344 HydrophobicContact CG2-CE1 4.39Å; I299-I345 HydrophobicContact CB-CG1 4.29Å; I299-I345 HydrophobicContact CG2-CB 4.12Å; I299-I345 HydrophobicContact CG2-CG1 3.49Å; I299-I345 VanDerWaalsContact CG2-CG1 3.49Å; I299-I345 HydrophobicContact CG2-CG2 4.42Å; I299-I348 HydrophobicContact CD1-CG2 4.32Å; I299-I348 HydrophobicContact CG1-CG2 4.41Å; I299-I348 HydrophobicContact CG2-CD1 4.07Å
300K76.3Confident68.3Low118 Ų11868.5 Ų68.551%0.51339%0.392SS..Hα-helixtrans-67.3-41.7173-176.2170.5-171.5-1770111.8Q296 S297 L298 L302 F303 A304 Q341Q296-K300 WeakPolarHBondContact O-CB 3.48Å; Q296-K300 PolarHBondContact O-N 3.01Å; S297-K300 WeakPolarHBondContact O-CB 3.34Å; S297-K300 PolarHBondContact O-N 3.42Å; L298-K300 VanDerWaalsContact C-N 3.28Å; L298-K300 PolarHBondContact O-N 3.49Å; K300-L302 VanDerWaalsContact C-N 3.32Å; K300-F303 WeakPolarHBondContact O-CB 3.35Å; K300-F303 PolarHBondContact O-N 3.21Å; K300-A304 PolarHBondContact O-N 2.87Å; K300-Q341 VanDerWaalsContact CG-NE2 3.31Å
301D80Confident71Confident68 Ų6865.3 Ų65.336%0.36437%0.365SS..Hα-helixtrans-65.7-37.4173.9-17542.7000111.7S297 L298 F303 A304 R305S297-D301 PolarHBondContact O-N 2.88Å; L298-D301 PolarHBondContact O-N 3.33Å; D301-F303 VanDerWaalsContact C-N 3.32Å; D301-F303 PolarHBondContact O-N 3.36Å; D301-A304 PolarHBondContact O-N 2.77Å; D301-R305 WeakPolarHBondContact O-CG 3.34Å; D301-R305 PolarHBondContact O-N 3.3Å; D301-R305 IonicContact OD1-NE 3.13Å; D301-R305 IonicContact OD2-CZ 3.55Å; D301-R305 IonicContact OD2-NE 3.44Å; D301-R305 PolarHBondContact OD2-NE 2.95Å; D301-R305 VanDerWaalsContact OD2-NE 3.08Å; D301-R305 IonicContact OD2-NH2 3.67Å; D301-R305 PolarHBondContact OD2-NH2 3.41Å
302L79.6Confident74Confident4 Ų462.6 Ų62.62%0.02134%0.337CS..Hα-helixtrans-58.1-41.5170.4-82.2159000112.4A218 E222 I226 L298 I299 K300 A304 R305 Y306 F344A218-L302 HydrophobicContact CB-CD2 4.02Å; E222-L302 HydrophobicContact CB-CD2 4.03Å; E222-L302 HydrophobicContact CG-CD2 3.64Å; I226-L302 HydrophobicContact CD1-CD1 4.04Å; I226-L302 HydrophobicContact CG1-CD1 4.02Å; L298-L302 HydrophobicContact CG-CD1 4.34Å; L298-L302 WeakPolarHBondContact O-CB 3.47Å; L298-L302 WeakPolarHBondContact O-CG 3.37Å; L298-L302 PolarHBondContact O-N 3.05Å; I299-L302 WeakPolarHBondContact O-CB 3.39Å; I299-L302 PolarHBondContact O-N 3.49Å; K300-L302 VanDerWaalsContact C-N 3.32Å; L302-A304 PolarHBondContact O-N 3.45Å; L302-R305 PolarHBondContact O-N 3.26Å; L302-Y306 HydrophobicContact CD2-CD2 3.89Å; L302-Y306 HydrophobicContact CD2-CE2 3.6Å; L302-Y306 WeakPolarHBondContact O-CB 3.42Å; L302-Y306 WeakPolarHBondContact O-CD2 3.35Å; L302-Y306 PolarHBondContact O-N 3.26Å; L302-F344 HydrophobicContact CB-CE1 4.08Å
303F85.7Confident76.7Confident11 Ų1160 Ų605%0.04832%0.319CS..Hα-helixtrans-58.4-49.6175179.1-95000110.8L211 I299 K300 D301 R305 Y306 V307 E337 L340 Q341 F344L211-F303 HydrophobicContact CD1-CE2 4.31Å; I299-F303 PolarHBondContact O-N 3.16Å; K300-F303 WeakPolarHBondContact O-CB 3.35Å; K300-F303 PolarHBondContact O-N 3.21Å; D301-F303 VanDerWaalsContact C-N 3.32Å; D301-F303 PolarHBondContact O-N 3.36Å; F303-R305 VanDerWaalsContact C-N 3.26Å; F303-R305 PolarHBondContact O-N 3.03Å; F303-Y306 PolarHBondContact O-N 2.92Å; F303-V307 HydrophobicContact CD2-CB 3.91Å; F303-V307 HydrophobicContact CD2-CG1 4.33Å; F303-V307 HydrophobicContact CD2-CG2 3.67Å; F303-V307 HydrophobicContact CE1-CG1 4.47Å; F303-V307 HydrophobicContact CE2-CB 3.8Å; F303-V307 HydrophobicContact CE2-CG1 3.69Å; F303-V307 HydrophobicContact CE2-CG2 3.79Å; F303-V307 HydrophobicContact CG-CB 4.35Å; F303-V307 HydrophobicContact CG-CG2 4.4Å; F303-V307 HydrophobicContact CZ-CB 4.11Å; F303-V307 HydrophobicContact CZ-CG1 3.77Å; F303-V307 WeakPolarHBondContact O-CB 3.46Å; F303-V307 PolarHBondContact O-N 3.46Å; F303-E337 HydrophobicContact CE1-CG 4.29Å; F303-L340 HydrophobicContact CE2-CB 4.14Å; F303-L340 HydrophobicContact CZ-CB 4.19Å; F303-Q341 HydrophobicContact CB-CG 4.28Å; F303-Q341 HydrophobicContact CD1-CB 4.39Å; F303-Q341 HydrophobicContact CD1-CG 4.08Å; F303-Q341 HydrophobicContact CD2-CB 4.34Å; F303-Q341 HydrophobicContact CD2-CG 4.3Å; F303-Q341 HydrophobicContact CE1-CB 4.33Å; F303-Q341 HydrophobicContact CE1-CG 4.49Å; F303-Q341 HydrophobicContact CE2-CB 4.27Å; F303-Q341 HydrophobicContact CG-CB 4.39Å; F303-Q341 HydrophobicContact CG-CG 3.97Å; F303-Q341 HydrophobicContact CZ-CB 4.26Å; F303-F344 HydrophobicContact CB-CD1 3.93Å; F303-F344 HydrophobicContact CB-CE1 4.11Å; F303-F344 HydrophobicContact CD2-CB 3.76Å; F303-F344 HydrophobicContact CD2-CD1 4.04Å; F303-F344 HydrophobicContact CD2-CD2 4.31Å; F303-F344 AromaticContact CD2-CG 3.8Å; F303-F344 HydrophobicContact CD2-CG 3.8Å; F303-F344 HydrophobicContact CE2-CB 4.3Å
304A84.1Confident79Confident67 Ų6761.7 Ų61.755%0.55432%0.324SS*.Hα-helixtrans-61.9-30.4179.900000113.7K300 D301 L302K300-A304 PolarHBondContact O-N 2.87Å; D301-A304 PolarHBondContact O-N 2.77Å; L302-A304 PolarHBondContact O-N 3.45Å
305R81.4Confident80.9Confident143 Ų14357.2 Ų57.254%0.5430%0.3SS..Hα-helixtrans-82-35.1178.5-66.7-178.9-159.7-176.82.8113.8D301 L302 F303D301-R305 WeakPolarHBondContact O-CG 3.34Å; D301-R305 PolarHBondContact O-N 3.3Å; D301-R305 IonicContact OD1-NE 3.13Å; D301-R305 IonicContact OD2-CZ 3.55Å; D301-R305 IonicContact OD2-NE 3.44Å; D301-R305 PolarHBondContact OD2-NE 2.95Å; D301-R305 VanDerWaalsContact OD2-NE 3.08Å; D301-R305 IonicContact OD2-NH2 3.67Å; D301-R305 PolarHBondContact OD2-NH2 3.41Å; L302-R305 PolarHBondContact O-N 3.26Å; F303-R305 VanDerWaalsContact C-N 3.26Å; F303-R305 PolarHBondContact O-N 3.03Å
306Y82.5Confident82.6Confident41 Ų4155.7 Ų55.716%0.16129%0.289CS..Hα-helixtrans-102.1-29-170.5-77.8-92.9000114K214 T217 A218 H221 L302 F303K214-Y306 VanDerWaalsContact CD-O 3.31Å; K214-Y306 WeakPolarHBondContact CD-O 3.37Å; K214-Y306 PolarHBondContact NZ-O 2.84Å; K214-Y306 VanDerWaalsContact NZ-O 3.12Å; T217-Y306 HydrophobicContact CG2-CD1 4.41Å; T217-Y306 HydrophobicContact CG2-CE1 4.03Å; A218-Y306 HydrophobicContact CB-CD1 3.96Å; A218-Y306 HydrophobicContact CB-CD2 3.71Å; A218-Y306 HydrophobicContact CB-CE1 4.15Å; A218-Y306 HydrophobicContact CB-CE2 3.9Å; A218-Y306 HydrophobicContact CB-CG 3.75Å; H221-Y306 WeakPolarHBondContact CB-OH 3.26Å; L302-Y306 HydrophobicContact CD2-CD2 3.89Å; L302-Y306 HydrophobicContact CD2-CE2 3.6Å; L302-Y306 WeakPolarHBondContact O-CB 3.42Å; L302-Y306 WeakPolarHBondContact O-CD2 3.35Å; L302-Y306 PolarHBondContact O-N 3.26Å; F303-Y306 PolarHBondContact O-N 2.92Å
307V87.2Confident83.8Confident6 Ų654.5 Ų54.54%0.03629%0.292CS..  trans-103.8114.6-178.9-178.70000108.5Y210 L211 K214 F303 V312 F344Y210-V307 HydrophobicContact CE1-CG1 4.3Å; L211-V307 HydrophobicContact CD1-CG1 4.43Å; L211-V307 HydrophobicContact CD1-CG2 3.75Å; K214-V307 HydrophobicContact CB-CG2 4.43Å; F303-V307 HydrophobicContact CD2-CB 3.91Å; F303-V307 HydrophobicContact CD2-CG1 4.33Å; F303-V307 HydrophobicContact CD2-CG2 3.67Å; F303-V307 HydrophobicContact CE1-CG1 4.47Å; F303-V307 HydrophobicContact CE2-CB 3.8Å; F303-V307 HydrophobicContact CE2-CG1 3.69Å; F303-V307 HydrophobicContact CE2-CG2 3.79Å; F303-V307 HydrophobicContact CG-CB 4.35Å; F303-V307 HydrophobicContact CG-CG2 4.4Å; F303-V307 HydrophobicContact CZ-CB 4.11Å; F303-V307 HydrophobicContact CZ-CG1 3.77Å; F303-V307 WeakPolarHBondContact O-CB 3.46Å; F303-V307 PolarHBondContact O-N 3.46Å; V307-V312 HydrophobicContact CG1-CG2 4.23Å; V307-F344 HydrophobicContact CG2-CD2 3.92Å; V307-F344 HydrophobicContact CG2-CE2 3.9Å
308L87.5Confident84.7Confident88 Ų8855 Ų5546%0.46130%0.295SS..  trans-99.5126.9177-64.8173.1000109.1D310 D311 V312L308-D310 PolarHBondContact O-N 3.16Å; L308-D311 HydrophobicContact CB-CB 4.31Å; L308-D311 WeakPolarHBondContact O-CB 3.43Å; L308-D311 PolarHBondContact O-N 2.88Å; L308-V312 PolarHBondContact O-N 2.85Å
309M87Confident85.6Confident33 Ų3357.4 Ų57.416%0.16331%0.305CS..Hα-helixtrans-63-27.1178.6-66-56-71.400112.3V312 R313 A333 E337M309-V312 WeakPolarHBondContact O-CB 3.49Å; M309-V312 PolarHBondContact O-N 3.24Å; M309-V312 HydrophobicContact SD-CG2 4.44Å; M309-R313 WeakPolarHBondContact O-CG 3.3Å; M309-R313 PolarHBondContact O-N 2.86Å; M309-A333 HydrophobicContact CE-CB 4.34Å; M309-A333 WeakPolarHBondContact CE-O 3.06Å; M309-E337 HydrophobicContact CE-CB 3.9Å; M309-E337 HydrophobicContact CE-CG 4.12Å; M309-E337 HydrophobicContact SD-CB 4.46Å; M309-E337 HydrophobicContact SD-CG 4.08Å
310D88.4Confident86.3Confident113 Ų11358 Ų5860%0.60431%0.308SS*.Hα-helixtrans-67.6-35.7174-61.9-27.6000112.5L308 V312 R313 S314L308-D310 PolarHBondContact O-N 3.16Å; D310-V312 VanDerWaalsContact C-N 3.32Å; D310-R313 PolarHBondContact O-N 2.9Å; D310-R313 IonicContact OD1-NH1 2.61Å; D310-R313 PolarHBondContact OD1-NH1 3.26Å; D310-S314 WeakPolarHBondContact O-CB 3.32Å; D310-S314 PolarHBondContact O-N 3.41Å
311D89.3Confident86.6Confident55 Ų5556.5 Ų56.529%0.29431%0.31SS..Hα-helixtrans-65.1-40.8171.8-70.2-13000109.9Y210 K214 L308 S314 I315Y210-D311 HydrophobicContact CE1-CB 4.42Å; Y210-D311 HydrophobicContact CE2-CB 3.9Å; Y210-D311 VanDerWaalsContact OH-CB 3.3Å; Y210-D311 WeakPolarHBondContact OH-CB 3.19Å; Y210-D311 PolarHBondContact OH-OD2 3.16Å; K214-D311 IonicContact NZ-OD2 2.6Å; L308-D311 HydrophobicContact CB-CB 4.31Å; L308-D311 WeakPolarHBondContact O-CB 3.43Å; L308-D311 PolarHBondContact O-N 2.88Å; D311-S314 PolarHBondContact O-N 2.97Å; D311-I315 WeakPolarHBondContact O-CB 3.34Å; D311-I315 WeakPolarHBondContact O-CD1 3.41Å; D311-I315 WeakPolarHBondContact O-CG1 3.37Å; D311-I315 PolarHBondContact O-N 2.68Å
312V90Very high86.5Confident0 Ų058.9 Ų58.90%033%0.332CS..Hα-helixtrans-61.8-47.7178.1176.50000110.7I207 V307 L308 M309 D310 S314 I315 L316 L340I207-V312 HydrophobicContact CD1-CG1 3.6Å; I207-V312 HydrophobicContact CG1-CG1 4.19Å; I207-V312 HydrophobicContact CG2-CG2 4.38Å; V307-V312 HydrophobicContact CG1-CG2 4.23Å; L308-V312 PolarHBondContact O-N 2.85Å; M309-V312 WeakPolarHBondContact O-CB 3.49Å; M309-V312 PolarHBondContact O-N 3.24Å; M309-V312 HydrophobicContact SD-CG2 4.44Å; D310-V312 VanDerWaalsContact C-N 3.32Å; V312-S314 VanDerWaalsContact C-N 3.35Å; V312-S314 PolarHBondContact O-N 3.18Å; V312-I315 PolarHBondContact O-N 3.47Å; V312-L316 HydrophobicContact CG1-CD1 4.28Å; V312-L316 WeakPolarHBondContact O-CG 3.33Å; V312-L316 PolarHBondContact O-N 3.2Å; V312-L340 HydrophobicContact CG1-CD1 4.08Å; V312-L340 HydrophobicContact CG2-CD1 4.35Å
313R91.4Very high86.6Confident72 Ų7264.7 Ų64.727%0.27236%0.364SS..Hα-helixtrans-60-43.8175.2-69.9171.8-177.5125.96.1111.8M309 D310 L316 S317 D330 A333 D334M309-R313 WeakPolarHBondContact O-CG 3.3Å; M309-R313 PolarHBondContact O-N 2.86Å; D310-R313 PolarHBondContact O-N 2.9Å; D310-R313 IonicContact OD1-NH1 2.61Å; D310-R313 PolarHBondContact OD1-NH1 3.26Å; R313-L316 PolarHBondContact O-N 3.03Å; R313-S317 WeakPolarHBondContact O-CB 3.04Å; R313-S317 PolarHBondContact O-N 3.07Å; R313-D330 WeakPolarHBondContact CD-OD1 3.3Å; R313-D330 IonicContact NE-OD1 2.82Å; R313-D330 PolarHBondContact NE-OD1 2.61Å; R313-D330 VanDerWaalsContact NE-OD1 3.13Å; R313-A333 HydrophobicContact CG-CB 4.11Å; R313-D334 IonicContact NH2-OD1 3.7Å
314S88.9Confident86.7Confident79 Ų7965 Ų6555%0.55237%0.366SS*.Hα-helixtrans-62.6-42.9177.3-178.20000112.1D310 D311 V312 S317 S318D310-S314 WeakPolarHBondContact O-CB 3.32Å; D310-S314 PolarHBondContact O-N 3.41Å; D311-S314 PolarHBondContact O-N 2.97Å; V312-S314 VanDerWaalsContact C-N 3.35Å; V312-S314 PolarHBondContact O-N 3.18Å; S314-S317 PolarHBondContact O-N 3.26Å; S314-S318 WeakPolarHBondContact O-CB 3.09Å; S314-S318 PolarHBondContact O-N 3.49Å; S314-S318 PolarHBondContact O-OG 2.9Å
315I90.3Very high86.9Confident31 Ų3163.5 Ų63.516%0.15935%0.351CS..Hα-helixtrans-61.4-49.1175.7-68.7160.8000109.8I207 Y210 D311 V312 S317 S318 Q319I207-I315 HydrophobicContact CG1-CG2 4.34Å; Y210-I315 HydrophobicContact CD1-CD1 3.9Å; Y210-I315 HydrophobicContact CD2-CD1 3.66Å; Y210-I315 HydrophobicContact CE1-CD1 4.48Å; Y210-I315 HydrophobicContact CE2-CD1 4.24Å; Y210-I315 HydrophobicContact CG-CD1 3.46Å; Y210-I315 VanDerWaalsContact CG-CD1 3.46Å; D311-I315 WeakPolarHBondContact O-CB 3.34Å; D311-I315 WeakPolarHBondContact O-CD1 3.41Å; D311-I315 WeakPolarHBondContact O-CG1 3.37Å; D311-I315 PolarHBondContact O-N 2.68Å; V312-I315 PolarHBondContact O-N 3.47Å; I315-S317 PolarHBondContact O-N 2.75Å; I315-S318 PolarHBondContact O-N 3.38Å; I315-S318 PolarHBondContact O-OG 3.42Å; I315-Q319 HydrophobicContact CG2-CG 4.25Å; I315-Q319 VanDerWaalsContact O-CG 3.26Å; I315-Q319 WeakPolarHBondContact O-CG 3.49Å; I315-Q319 PolarHBondContact O-N 3.45Å
316L90.1Very high87.1Confident0 Ų060.2 Ų60.20%035%0.35CS..Hα-helixtrans-59.8-48.3178.8-71.1177.5000111.8C203 I207 V312 R313 S318 Q319 L320 I329 A333 L336C203-L316 HydrophobicContact CB-CD2 3.7Å; I207-L316 HydrophobicContact CD1-CD1 4.29Å; I207-L316 HydrophobicContact CD1-CD2 3.88Å; I207-L316 HydrophobicContact CD1-CG 4.09Å; I207-L316 HydrophobicContact CG1-CD2 4.23Å; I207-L316 HydrophobicContact CG1-CG 4.49Å; V312-L316 HydrophobicContact CG1-CD1 4.28Å; V312-L316 WeakPolarHBondContact O-CG 3.33Å; V312-L316 PolarHBondContact O-N 3.2Å; R313-L316 PolarHBondContact O-N 3.03Å; L316-S318 PolarHBondContact O-N 2.5Å; L316-Q319 PolarHBondContact O-N 2.66Å; L316-Q319 VanDerWaalsContact O-N 3.16Å; L316-L320 HydrophobicContact CB-CD1 4.07Å; L316-L320 HydrophobicContact CD2-CD1 4.38Å; L316-L320 VanDerWaalsContact O-CB 3.3Å; L316-L320 WeakPolarHBondContact O-CB 3.42Å; L316-L320 WeakPolarHBondContact O-CD1 3.48Å; L316-L320 WeakPolarHBondContact O-CG 3Å; L316-L320 PolarHBondContact O-N 3.34Å; L316-I329 HydrophobicContact CB-CG2 3.9Å; L316-I329 HydrophobicContact CD1-CG2 4.33Å; L316-A333 HydrophobicContact CD1-CB 4.27Å; L316-L336 HydrophobicContact CD1-CD1 4.48Å
317S88.4Confident87.3Confident79 Ų7962.7 Ų62.755%0.55236%0.363SS*.Hα-helixtrans-59.2-33.3177177.10000112.8R313 S314 I315R313-S317 WeakPolarHBondContact O-CB 3.04Å; R313-S317 PolarHBondContact O-N 3.07Å; S314-S317 PolarHBondContact O-N 3.26Å; I315-S317 PolarHBondContact O-N 2.75Å
318S88.4Confident87.4Confident79 Ų7962.4 Ų62.455%0.55236%0.361SS*.Hα-helixtrans-78.1-28.8177.675.50000114.5S314 I315 L316S314-S318 WeakPolarHBondContact O-CB 3.09Å; S314-S318 PolarHBondContact O-N 3.49Å; S314-S318 PolarHBondContact O-OG 2.9Å; I315-S318 PolarHBondContact O-N 3.38Å; I315-S318 PolarHBondContact O-OG 3.42Å; L316-S318 PolarHBondContact O-N 2.5Å
319Q88.6Confident87.5Confident107 Ų10759 Ų5950%0.534%0.343SS..Hα-helixtrans-96.9-24.1-173.7-64.1-63-4200112.8F206 I315 L316F206-Q319 HydrophobicContact CB-CB 4.26Å; F206-Q319 HydrophobicContact CB-CG 4.14Å; F206-Q319 HydrophobicContact CD1-CB 4.16Å; F206-Q319 HydrophobicContact CD1-CG 4.37Å; F206-Q319 HydrophobicContact CD2-CB 3.9Å; F206-Q319 HydrophobicContact CE1-CB 4.49Å; F206-Q319 HydrophobicContact CE2-CB 4.26Å; F206-Q319 HydrophobicContact CG-CB 3.86Å; F206-Q319 HydrophobicContact CG-CG 4.18Å; I315-Q319 HydrophobicContact CG2-CG 4.25Å; I315-Q319 VanDerWaalsContact O-CG 3.26Å; I315-Q319 WeakPolarHBondContact O-CG 3.49Å; I315-Q319 PolarHBondContact O-N 3.45Å; L316-Q319 PolarHBondContact O-N 2.66Å; L316-Q319 VanDerWaalsContact O-N 3.16Å
320L87.9Confident87.6Confident23 Ų2360.6 Ų60.612%0.1235%0.352CS..SBendtrans-85153.3177.1-73.6158.8000111.3F199 L316 V324 I329F199-L320 HydrophobicContact CE1-CD2 4.49Å; F199-L320 HydrophobicContact CE2-CD2 3.88Å; F199-L320 HydrophobicContact CZ-CD2 3.55Å; L316-L320 HydrophobicContact CB-CD1 4.07Å; L316-L320 HydrophobicContact CD2-CD1 4.38Å; L316-L320 VanDerWaalsContact O-CB 3.3Å; L316-L320 WeakPolarHBondContact O-CB 3.42Å; L316-L320 WeakPolarHBondContact O-CD1 3.48Å; L316-L320 WeakPolarHBondContact O-CG 3Å; L316-L320 PolarHBondContact O-N 3.34Å; L320-V324 HydrophobicContact CB-CG2 4.21Å; L320-V324 HydrophobicContact CD2-CG2 4.47Å; L320-I329 HydrophobicContact CD1-CG1 4.32Å
321P82.4Confident87.6Confident87 Ų8756.5 Ų56.557%0.56533%0.33SS*.  trans-59.4153.7172.4-21.633.2000112.5D323 V324P321-D323 PolarHBondContact O-N 2.59Å; P321-V324 WeakPolarHBondContact O-CG2 3.34Å; P321-V324 PolarHBondContact O-N 2.77Å
322S78.1Confident87.6Confident118 Ų11854 Ų5483%0.82532%0.316SS*.THydrogen-bonded Turntrans-63.2-12.5179.5610000114.7V324S322-V324 PolarHBondContact O-N 3.28Å
323D81.5Confident87.5Confident127 Ų12754 Ų5468%0.67932%0.316SS*.THydrogen-bonded Turntrans-78.7-11.2-177.3-56.3-25.3000112.3W158 P321 P325W158-D323 WeakPolarHBondContact CZ2-O 3.21Å; P321-D323 PolarHBondContact O-N 2.59Å; D323-P325 WeakPolarHBondContact O-CD 3.48Å
324V87.6Confident87.5Confident17 Ų1754.8 Ų54.810%0.10333%0.326CS..SBendtrans-81.6120.4-179.8-170.80000110.3L320 P321 S322 V328 I329L320-V324 HydrophobicContact CB-CG2 4.21Å; L320-V324 HydrophobicContact CD2-CG2 4.47Å; P321-V324 WeakPolarHBondContact O-CG2 3.34Å; P321-V324 PolarHBondContact O-N 2.77Å; S322-V324 PolarHBondContact O-N 3.28Å; V324-V328 HydrophobicContact CG1-CB 3.91Å; V324-V328 HydrophobicContact CG1-CG1 3.94Å; V324-I329 HydrophobicContact CG1-CG1 4.04Å
325P87.7Confident87.5Confident36 Ų3652.9 Ų52.923%0.23431%0.311CS..  trans-62.3150.5176.4-20.730.9000112.3W158 D323 E327 V328 I329W158-P325 HydrophobicContact CH2-CG 3.68Å; W158-P325 HydrophobicContact CZ2-CG 4.3Å; W158-P325 HydrophobicContact CZ3-CG 4.04Å; D323-P325 WeakPolarHBondContact O-CD 3.48Å; P325-E327 WeakPolarHBondContact CB-OE2 3.31Å; P325-E327 PolarHBondContact O-N 3.33Å; P325-V328 HydrophobicContact CB-CG2 4.27Å; P325-V328 HydrophobicContact CG-CG2 4.17Å; P325-V328 PolarHBondContact O-N 2.94Å; P325-V328 VanDerWaalsContact O-N 3.15Å; P325-I329 PolarHBondContact O-N 3.02Å
326S86.3Confident87.5Confident73 Ų7351.4 Ų51.451%0.5130%0.303SS..Hα-helixtrans-57.5-35.7175.633.80000112.4V328 I329 D330S326-V328 VanDerWaalsContact C-N 3.3Å; S326-V328 PolarHBondContact O-N 3.44Å; S326-I329 WeakPolarHBondContact O-CB 3.32Å; S326-I329 PolarHBondContact O-N 3.21Å; S326-I329 VanDerWaalsContact O-N 3.11Å; S326-D330 PolarHBondContact O-N 3.12Å
327E87.1Confident87.5Confident93 Ų9355.5 Ų55.544%0.43532%0.322SS..Hα-helixtrans-61.6-39.8179.7-6178.9-175.300111.2Y193 P325 Q331Y193-E327 HydrophobicContact CE2-CB 3.99Å; P325-E327 WeakPolarHBondContact CB-OE2 3.31Å; P325-E327 PolarHBondContact O-N 3.33Å; E327-Q331 WeakPolarHBondContact O-CB 3.38Å; E327-Q331 WeakPolarHBondContact O-CG 3.47Å; E327-Q331 PolarHBondContact O-N 2.86Å
328V87.7Confident87.5Confident0 Ų056.9 Ų56.90%032%0.323CS..Hα-helixtrans-68.1-39.5176.8179.60000110.3W158 Y193 I195 V324 P325 S326 V332W158-V328 HydrophobicContact CD2-CG2 4.32Å; W158-V328 HydrophobicContact CE3-CG2 4.05Å; W158-V328 HydrophobicContact CG-CG1 4.27Å; W158-V328 HydrophobicContact CZ3-CG2 4.41Å; Y193-V328 HydrophobicContact CD1-CG2 3.61Å; Y193-V328 HydrophobicContact CD2-CG2 4.16Å; Y193-V328 HydrophobicContact CE1-CG2 3.74Å; Y193-V328 HydrophobicContact CE2-CG2 4.28Å; Y193-V328 HydrophobicContact CG-CG2 3.82Å; I195-V328 HydrophobicContact CD1-CG1 3.96Å; V324-V328 HydrophobicContact CG1-CB 3.91Å; V324-V328 HydrophobicContact CG1-CG1 3.94Å; P325-V328 HydrophobicContact CB-CG2 4.27Å; P325-V328 HydrophobicContact CG-CG2 4.17Å; P325-V328 PolarHBondContact O-N 2.94Å; P325-V328 VanDerWaalsContact O-N 3.15Å; S326-V328 VanDerWaalsContact C-N 3.3Å; S326-V328 PolarHBondContact O-N 3.44Å; V328-V332 HydrophobicContact CG1-CG2 4.24Å; V328-V332 WeakPolarHBondContact O-CB 3.34Å; V328-V332 WeakPolarHBondContact O-CG2 3.46Å; V328-V332 PolarHBondContact O-N 3.32Å
329I89.8Confident87.6Confident16 Ų1655.6 Ų55.68%0.08231%0.312CS..Hα-helixtrans-64.5-45.5178.7-63171.2000110.5L316 L320 V324 P325 S326 V332 A333L316-I329 HydrophobicContact CB-CG2 3.9Å; L316-I329 HydrophobicContact CD1-CG2 4.33Å; L320-I329 HydrophobicContact CD1-CG1 4.32Å; V324-I329 HydrophobicContact CG1-CG1 4.04Å; P325-I329 PolarHBondContact O-N 3.02Å; S326-I329 WeakPolarHBondContact O-CB 3.32Å; S326-I329 PolarHBondContact O-N 3.21Å; S326-I329 VanDerWaalsContact O-N 3.11Å; I329-V332 PolarHBondContact O-N 2.94Å; I329-A333 VanDerWaalsContact O-CB 3.32Å; I329-A333 WeakPolarHBondContact O-CB 3.41Å; I329-A333 PolarHBondContact O-N 3Å
330D89.4Confident87.7Confident67 Ų6750.5 Ų50.536%0.35829%0.288SS..Hα-helixtrans-62.6-47.6178.9-74.6-34.3000111.2R313 S326 V332 A333 D334R313-D330 WeakPolarHBondContact CD-OD1 3.3Å; R313-D330 IonicContact NE-OD1 2.82Å; R313-D330 PolarHBondContact NE-OD1 2.61Å; R313-D330 VanDerWaalsContact NE-OD1 3.13Å; S326-D330 PolarHBondContact O-N 3.12Å; D330-V332 PolarHBondContact O-N 3.47Å; D330-A333 PolarHBondContact O-N 3.38Å; D330-D334 VanDerWaalsContact O-CG 3.3Å; D330-D334 PolarHBondContact O-N 3.42Å
331Q87.8Confident87.8Confident28 Ų2850.8 Ų50.813%0.13129%0.289CS..Hα-helixtrans-64.2-38.9178.6-69.3176.825.200112.5L190 E191 E327 V335L190-Q331 HydrophobicContact CB-CB 4.42Å; L190-Q331 HydrophobicContact CD1-CB 3.82Å; L190-Q331 PolarHBondContact O-OE1 2.93Å; E191-Q331 PolarHBondContact OE2-NE2 2.92Å; E327-Q331 WeakPolarHBondContact O-CB 3.38Å; E327-Q331 WeakPolarHBondContact O-CG 3.47Å; E327-Q331 PolarHBondContact O-N 2.86Å; Q331-V335 VanDerWaalsContact O-CG2 3.31Å; Q331-V335 WeakPolarHBondContact O-CG2 3.16Å; Q331-V335 PolarHBondContact O-N 2.83Å; Q331-V335 VanDerWaalsContact O-N 3.14Å
332V89.7Confident88.1Confident2 Ų251.8 Ų51.81%0.01229%0.286CS..Hα-helixtrans-67.7-39.9175.3170.70000111I195 C203 V328 I329 D330 V335 L336I195-V332 HydrophobicContact CD1-CG2 3.61Å; I195-V332 HydrophobicContact CG2-CG2 4.5Å; C203-V332 HydrophobicContact CB-CG1 4.12Å; V328-V332 HydrophobicContact CG1-CG2 4.24Å; V328-V332 WeakPolarHBondContact O-CB 3.34Å; V328-V332 WeakPolarHBondContact O-CG2 3.46Å; V328-V332 PolarHBondContact O-N 3.32Å; I329-V332 PolarHBondContact O-N 2.94Å; D330-V332 PolarHBondContact O-N 3.47Å; V332-V335 PolarHBondContact O-N 2.83Å; V332-L336 HydrophobicContact CG1-CD1 3.72Å; V332-L336 HydrophobicContact CG1-CG 4.18Å; V332-L336 WeakPolarHBondContact O-CB 3.35Å; V332-L336 VanDerWaalsContact O-CG 3.26Å; V332-L336 WeakPolarHBondContact O-CG 3.38Å; V332-L336 PolarHBondContact O-N 3.24Å
333A89.5Confident88.5Confident0 Ų046.6 Ų46.60%025%0.25CC..Hα-helixtrans-61.6-43.7177.400000111.6M309 R313 L316 I329 D330 V335 L336 E337M309-A333 HydrophobicContact CE-CB 4.34Å; M309-A333 WeakPolarHBondContact CE-O 3.06Å; R313-A333 HydrophobicContact CG-CB 4.11Å; L316-A333 HydrophobicContact CD1-CB 4.27Å; I329-A333 VanDerWaalsContact O-CB 3.32Å; I329-A333 WeakPolarHBondContact O-CB 3.41Å; I329-A333 PolarHBondContact O-N 3Å; D330-A333 PolarHBondContact O-N 3.38Å; A333-V335 PolarHBondContact O-N 3.42Å; A333-L336 PolarHBondContact O-N 2.88Å; A333-E337 PolarHBondContact O-N 3.32Å
334D89.9Confident88.8Confident89 Ų8940.5 Ų40.548%0.47622%0.217SC..Hα-helixtrans-64.8-39.6178.2-66.8-12.9000111.7R313 D330 L336 E337R313-D334 IonicContact NH2-OD1 3.7Å; D330-D334 VanDerWaalsContact O-CG 3.3Å; D330-D334 PolarHBondContact O-N 3.42Å; D334-L336 VanDerWaalsContact C-N 3.34Å; D334-E337 PolarHBondContact O-N 3.5Å
335V89.9Confident88.6Confident39 Ų3941.6 Ų41.624%0.23622%0.222CC..Hα-helixtrans-67.3-36.3174.6172.40000111.8K188 L190 I200 Q331 V332 A333K188-V335 HydrophobicContact CD-CG1 4.44Å; L190-V335 HydrophobicContact CD1-CG2 3.9Å; L190-V335 HydrophobicContact CD2-CG2 3.95Å; I200-V335 HydrophobicContact CD1-CG1 4.38Å; Q331-V335 VanDerWaalsContact O-CG2 3.31Å; Q331-V335 WeakPolarHBondContact O-CG2 3.16Å; Q331-V335 PolarHBondContact O-N 2.83Å; Q331-V335 VanDerWaalsContact O-N 3.14Å; V332-V335 PolarHBondContact O-N 2.83Å; A333-V335 PolarHBondContact O-N 3.42Å
336L90.5Very high88.4Confident0 Ų048.3 Ų48.30%024%0.243CC..Hα-helixtrans-74.1-23.7-179.5-77.9175.7000113.1I200 C203 E204 I207 L316 V332 A333 D334 L338 T339 L340I200-L336 HydrophobicContact CG2-CD2 3.47Å; I200-L336 VanDerWaalsContact CG2-CD2 3.47Å; I200-L336 HydrophobicContact CG2-CG 3.98Å; C203-L336 HydrophobicContact CB-CD1 3.83Å; E204-L336 HydrophobicContact CB-CD2 4.01Å; I207-L336 HydrophobicContact CD1-CD1 3.87Å; L316-L336 HydrophobicContact CD1-CD1 4.48Å; V332-L336 HydrophobicContact CG1-CD1 3.72Å; V332-L336 HydrophobicContact CG1-CG 4.18Å; V332-L336 WeakPolarHBondContact O-CB 3.35Å; V332-L336 VanDerWaalsContact O-CG 3.26Å; V332-L336 WeakPolarHBondContact O-CG 3.38Å; V332-L336 PolarHBondContact O-N 3.24Å; A333-L336 PolarHBondContact O-N 2.88Å; D334-L336 VanDerWaalsContact C-N 3.34Å; L336-L338 VanDerWaalsContact C-N 3.26Å; L336-L338 PolarHBondContact O-N 3.28Å; L336-L338 VanDerWaalsContact O-N 3.16Å; L336-T339 PolarHBondContact O-N 3.19Å; L336-L340 HydrophobicContact CB-CD1 4Å; L336-L340 HydrophobicContact CB-CG 4.19Å; L336-L340 WeakPolarHBondContact O-CB 3.42Å; L336-L340 VanDerWaalsContact O-CG 3.25Å; L336-L340 WeakPolarHBondContact O-CG 3.37Å; L336-L340 PolarHBondContact O-N 2.75Å
337E89Confident88.2Confident85 Ų8547.4 Ų47.440%0.39723%0.228SC..Hα-helixtrans-49.1-47.3-175.4-171.6-178.5172.900112.3F303 M309 A333 D334 T339 L340 Q341F303-E337 HydrophobicContact CE1-CG 4.29Å; M309-E337 HydrophobicContact CE-CB 3.9Å; M309-E337 HydrophobicContact CE-CG 4.12Å; M309-E337 HydrophobicContact SD-CB 4.46Å; M309-E337 HydrophobicContact SD-CG 4.08Å; A333-E337 PolarHBondContact O-N 3.32Å; D334-E337 PolarHBondContact O-N 3.5Å; E337-T339 PolarHBondContact O-N 3.44Å; E337-L340 PolarHBondContact O-N 3.43Å; E337-Q341 WeakPolarHBondContact O-CB 3.18Å; E337-Q341 PolarHBondContact O-N 3.12Å
338L88.5Confident87.9Confident109 Ų10943 Ų4357%0.57121%0.208SC*.Hα-helixtrans-65.6-41.7-179.6-173.166.6000112.5L336 Q341 Q342L336-L338 VanDerWaalsContact C-N 3.26Å; L336-L338 PolarHBondContact O-N 3.28Å; L336-L338 VanDerWaalsContact O-N 3.16Å; L338-Q341 PolarHBondContact O-N 2.99Å; L338-Q342 WeakPolarHBondContact O-CG 3.34Å; L338-Q342 PolarHBondContact O-N 3.41Å; L338-Q342 VanDerWaalsContact O-N 3.17Å
339T90.1Very high87.3Confident52 Ų5245 Ų4532%0.31923%0.228SC..Hα-helixtrans-69.3-41.1179.5-48.10000111E204 L336 E337 Q341 Q342 S343E204-T339 WeakPolarHBondContact OE1-CG2 3.5Å; E204-T339 WeakPolarHBondContact OE2-CG2 3.33Å; L336-T339 PolarHBondContact O-N 3.19Å; E337-T339 PolarHBondContact O-N 3.44Å; T339-Q341 VanDerWaalsContact C-N 3.33Å; T339-Q341 PolarHBondContact O-N 3.31Å; T339-Q342 PolarHBondContact O-N 2.97Å; T339-S343 PolarHBondContact O-N 2.98Å; T339-S343 PolarHBondContact O-OG 3.42Å
340L91.1Very high86.8Confident0 Ų048 Ų480%025%0.251CS..Hα-helixtrans-63.4-39.3175.4-66.8174.7000111.5E204 I207 L211 F303 V312 L336 E337 Q342 S343 F344E204-L340 HydrophobicContact CG-CD2 4.23Å; I207-L340 HydrophobicContact CB-CD2 4.07Å; I207-L340 HydrophobicContact CD1-CD1 4.11Å; I207-L340 HydrophobicContact CD1-CD2 4.3Å; I207-L340 HydrophobicContact CG2-CD1 4.2Å; I207-L340 HydrophobicContact CG2-CD2 3.71Å; L211-L340 HydrophobicContact CD2-CD2 4.32Å; F303-L340 HydrophobicContact CE2-CB 4.14Å; F303-L340 HydrophobicContact CZ-CB 4.19Å; V312-L340 HydrophobicContact CG1-CD1 4.08Å; V312-L340 HydrophobicContact CG2-CD1 4.35Å; L336-L340 HydrophobicContact CB-CD1 4Å; L336-L340 HydrophobicContact CB-CG 4.19Å; L336-L340 WeakPolarHBondContact O-CB 3.42Å; L336-L340 VanDerWaalsContact O-CG 3.25Å; L336-L340 WeakPolarHBondContact O-CG 3.37Å; L336-L340 PolarHBondContact O-N 2.75Å; E337-L340 PolarHBondContact O-N 3.43Å; L340-Q342 VanDerWaalsContact C-N 3.33Å; L340-Q342 PolarHBondContact O-N 3.38Å; L340-S343 WeakPolarHBondContact CA-OG 3.44Å; L340-S343 PolarHBondContact O-N 3.03Å; L340-S343 PolarHBondContact O-OG 3.18Å; L340-S343 VanDerWaalsContact O-OG 3.05Å; L340-F344 VanDerWaalsContact O-CB 3.27Å; L340-F344 WeakPolarHBondContact O-CB 3.26Å; L340-F344 PolarHBondContact O-N 2.98Å
341Q89.3Confident85.9Confident29 Ų2947 Ų4714%0.13625%0.246CC..Hα-helixtrans-61.9-42.9174.7-164.2-160.9-4000111K300 F303 E337 L338 T339 F344 I345K300-Q341 VanDerWaalsContact CG-NE2 3.31Å; F303-Q341 HydrophobicContact CB-CG 4.28Å; F303-Q341 HydrophobicContact CD1-CB 4.39Å; F303-Q341 HydrophobicContact CD1-CG 4.08Å; F303-Q341 HydrophobicContact CD2-CB 4.34Å; F303-Q341 HydrophobicContact CD2-CG 4.3Å; F303-Q341 HydrophobicContact CE1-CB 4.33Å; F303-Q341 HydrophobicContact CE1-CG 4.49Å; F303-Q341 HydrophobicContact CE2-CB 4.27Å; F303-Q341 HydrophobicContact CG-CB 4.39Å; F303-Q341 HydrophobicContact CG-CG 3.97Å; F303-Q341 HydrophobicContact CZ-CB 4.26Å; E337-Q341 WeakPolarHBondContact O-CB 3.18Å; E337-Q341 PolarHBondContact O-N 3.12Å; L338-Q341 PolarHBondContact O-N 2.99Å; T339-Q341 VanDerWaalsContact C-N 3.33Å; T339-Q341 PolarHBondContact O-N 3.31Å; Q341-F344 PolarHBondContact O-N 2.91Å; Q341-I345 HydrophobicContact CG-CD1 4.37Å; Q341-I345 WeakPolarHBondContact O-CD1 3.34Å; Q341-I345 VanDerWaalsContact O-CG1 3.28Å; Q341-I345 WeakPolarHBondContact O-CG1 3.47Å; Q341-I345 PolarHBondContact O-N 2.91Å
342Q88.9Confident85Confident108 Ų10848.1 Ų48.151%0.50525%0.254SS..Hα-helixtrans-66.8-41.6178-69.7177.41500112.7L338 T339 L340 I345 R346L338-Q342 WeakPolarHBondContact O-CG 3.34Å; L338-Q342 PolarHBondContact O-N 3.41Å; L338-Q342 VanDerWaalsContact O-N 3.17Å; T339-Q342 PolarHBondContact O-N 2.97Å; L340-Q342 VanDerWaalsContact C-N 3.33Å; L340-Q342 PolarHBondContact O-N 3.38Å; Q342-I345 PolarHBondContact O-N 3.04Å; Q342-R346 WeakPolarHBondContact O-CB 3.18Å; Q342-R346 PolarHBondContact O-N 3.14Å
343S87.5Confident83.6Confident8 Ų850.7 Ų50.76%0.05627%0.272CS..Hα-helixtrans-68.8-35.8176.755.90000111.7L211 T339 L340 R346 Y347L211-S343 WeakPolarHBondContact CD2-OG 3.29Å; T339-S343 PolarHBondContact O-N 2.98Å; T339-S343 PolarHBondContact O-OG 3.42Å; L340-S343 WeakPolarHBondContact CA-OG 3.44Å; L340-S343 PolarHBondContact O-N 3.03Å; L340-S343 PolarHBondContact O-OG 3.18Å; L340-S343 VanDerWaalsContact O-OG 3.05Å; S343-R346 WeakPolarHBondContact O-CB 3.43Å; S343-R346 PolarHBondContact O-N 3.05Å; S343-Y347 WeakPolarHBondContact O-CD2 3.06Å; S343-Y347 PolarHBondContact O-N 3.07Å
344F87.1Confident82Confident0 Ų056.4 Ų56.40%031%0.309CS..Hα-helixtrans-60.4-47.3171.9-174.3-98.5000112.1L211 K214 A215 A218 I299 L302 F303 V307 L340 Q341 R346 Y347 I348L211-F344 HydrophobicContact CD1-CB 4.06Å; L211-F344 HydrophobicContact CD1-CD2 3.76Å; L211-F344 HydrophobicContact CD1-CG 4.37Å; L211-F344 HydrophobicContact CD2-CB 4.24Å; L211-F344 HydrophobicContact CG-CB 4.24Å; L211-F344 HydrophobicContact CG-CD2 4.14Å; K214-F344 HydrophobicContact CB-CE2 4.39Å; A215-F344 VanDerWaalsContact CA-CE2 3.48Å; A215-F344 HydrophobicContact CB-CD2 3.87Å; A215-F344 HydrophobicContact CB-CE2 3.79Å; A218-F344 HydrophobicContact CB-CZ 3.91Å; I299-F344 HydrophobicContact CG2-CD1 4.27Å; I299-F344 HydrophobicContact CG2-CE1 4.39Å; L302-F344 HydrophobicContact CB-CE1 4.08Å; F303-F344 HydrophobicContact CB-CD1 3.93Å; F303-F344 HydrophobicContact CB-CE1 4.11Å; F303-F344 HydrophobicContact CD2-CB 3.76Å; F303-F344 HydrophobicContact CD2-CD1 4.04Å; F303-F344 HydrophobicContact CD2-CD2 4.31Å; F303-F344 AromaticContact CD2-CG 3.8Å; F303-F344 HydrophobicContact CD2-CG 3.8Å; F303-F344 HydrophobicContact CE2-CB 4.3Å; V307-F344 HydrophobicContact CG2-CD2 3.92Å; V307-F344 HydrophobicContact CG2-CE2 3.9Å; L340-F344 VanDerWaalsContact O-CB 3.27Å; L340-F344 WeakPolarHBondContact O-CB 3.26Å; L340-F344 PolarHBondContact O-N 2.98Å; Q341-F344 PolarHBondContact O-N 2.91Å; F344-R346 VanDerWaalsContact C-N 3.3Å; F344-R346 PolarHBondContact O-N 2.81Å; F344-Y347 PolarHBondContact O-N 2.73Å; F344-I348 HydrophobicContact CD1-CD1 4Å; F344-I348 HydrophobicContact CE1-CD1 3.35Å; F344-I348 HydrophobicContact CE1-CG1 4.3Å; F344-I348 HydrophobicContact CZ-CD1 3.67Å; F344-I348 PolarHBondContact O-N 2.99Å
345I83.2Confident80.3Confident40 Ų4057.7 Ų57.721%0.20532%0.316CS..Hα-helixtrans-58.7-44.2174.7-68.4159.8000110.4I299 Q341 Q342 Y347 I348 G349I299-I345 HydrophobicContact CB-CG1 4.29Å; I299-I345 HydrophobicContact CG2-CB 4.12Å; I299-I345 HydrophobicContact CG2-CG1 3.49Å; I299-I345 VanDerWaalsContact CG2-CG1 3.49Å; I299-I345 HydrophobicContact CG2-CG2 4.42Å; Q341-I345 HydrophobicContact CG-CD1 4.37Å; Q341-I345 WeakPolarHBondContact O-CD1 3.34Å; Q341-I345 VanDerWaalsContact O-CG1 3.28Å; Q341-I345 WeakPolarHBondContact O-CG1 3.47Å; Q341-I345 PolarHBondContact O-N 2.91Å; Q342-I345 PolarHBondContact O-N 3.04Å; I345-Y347 VanDerWaalsContact C-N 3.35Å; I345-Y347 PolarHBondContact O-N 2.74Å; I345-I348 PolarHBondContact O-N 2.88Å; I345-G349 PolarHBondContact O-N 3.02Å
346R84.8Confident78.5Confident177 Ų17757.2 Ų57.267%0.66832%0.316SS*.Hα-helixtrans-61.5-41.9177.3-174.1-174.1-66.1157.70.9111.8Q342 S343 F344 G349 S350Q342-R346 WeakPolarHBondContact O-CB 3.18Å; Q342-R346 PolarHBondContact O-N 3.14Å; S343-R346 WeakPolarHBondContact O-CB 3.43Å; S343-R346 PolarHBondContact O-N 3.05Å; F344-R346 VanDerWaalsContact C-N 3.3Å; F344-R346 PolarHBondContact O-N 2.81Å; R346-G349 PolarHBondContact O-N 2.95Å; R346-S350 WeakPolarHBondContact O-CB 3.17Å; R346-S350 PolarHBondContact O-N 3.33Å
347Y82.3Confident76.9Confident53 Ų5357.5 Ų57.521%0.20832%0.319CS..Hα-helixtrans-64.4-46.7177.5-75.4-50.6000112.1D208 L211 K212 S343 F344 I345 S350 L351D208-Y347 WeakPolarHBondContact OD1-CE2 3Å; D208-Y347 VanDerWaalsContact OD1-CZ 3.24Å; D208-Y347 PolarHBondContact OD1-OH 3.06Å; D208-Y347 PolarHBondContact OD2-OH 2.93Å; L211-Y347 HydrophobicContact CD2-CD2 4.19Å; L211-Y347 HydrophobicContact CD2-CE2 4.21Å; L211-Y347 HydrophobicContact CG-CD2 4.43Å; K212-Y347 HydrophobicContact CD-CE1 4.15Å; K212-Y347 WeakPolarHBondContact CE-OH 3.19Å; K212-Y347 HydrophobicContact CG-CD1 3.96Å; K212-Y347 HydrophobicContact CG-CD2 4.11Å; K212-Y347 HydrophobicContact CG-CE1 3.73Å; K212-Y347 HydrophobicContact CG-CE2 3.85Å; K212-Y347 HydrophobicContact CG-CG 4.19Å; S343-Y347 WeakPolarHBondContact O-CD2 3.06Å; S343-Y347 PolarHBondContact O-N 3.07Å; F344-Y347 PolarHBondContact O-N 2.73Å; I345-Y347 VanDerWaalsContact C-N 3.35Å; I345-Y347 PolarHBondContact O-N 2.74Å; Y347-S350 PolarHBondContact O-N 3.45Å; Y347-S350 PolarHBondContact O-OG 3.36Å; Y347-L351 WeakPolarHBondContact O-CG 3.49Å; Y347-L351 PolarHBondContact O-N 3.24Å; Y347-L351 VanDerWaalsContact O-N 3.16Å
348I79.6Confident75.6Confident0 Ų056.7 Ų56.70%033%0.327CS..Hα-helixtrans-59.9-50173.7-69.5-174.4000110A215 A218 I226 I299 F344 I345 S350 L351 V352A215-I348 HydrophobicContact CB-CG1 4.08Å; A218-I348 HydrophobicContact CB-CD1 4.24Å; I226-I348 HydrophobicContact CD1-CG2 4.23Å; I226-I348 HydrophobicContact CG2-CG2 4.18Å; I299-I348 HydrophobicContact CD1-CG2 4.32Å; I299-I348 HydrophobicContact CG1-CG2 4.41Å; I299-I348 HydrophobicContact CG2-CD1 4.07Å; F344-I348 HydrophobicContact CD1-CD1 4Å; F344-I348 HydrophobicContact CE1-CD1 3.35Å; F344-I348 HydrophobicContact CE1-CG1 4.3Å; F344-I348 HydrophobicContact CZ-CD1 3.67Å; F344-I348 PolarHBondContact O-N 2.99Å; I345-I348 PolarHBondContact O-N 2.88Å; I348-S350 PolarHBondContact O-N 2.84Å; I348-S350 VanDerWaalsContact O-N 3.16Å; I348-L351 CarbonylContact O-C 3.52Å; I348-L351 WeakPolarHBondContact O-CA 3.33Å; I348-L351 WeakPolarHBondContact O-CB 3.49Å; I348-L351 PolarHBondContact O-N 3.32Å; I348-V352 HydrophobicContact CG2-CG2 4.06Å; I348-V352 VanDerWaalsContact O-CG2 3.32Å; I348-V352 WeakPolarHBondContact O-CG2 3.46Å; I348-V352 PolarHBondContact O-N 3.23Å
349G76.4Confident74.3Confident42 Ų4256.1 Ų56.143%0.43332%0.324SS..Hα-helixtrans-55.7-34.8177.500000113.8I345 R346 L351 V352I345-G349 PolarHBondContact O-N 3.02Å; R346-G349 PolarHBondContact O-N 2.95Å; G349-L351 VanDerWaalsContact C-N 3.33Å; G349-V352 CarbonylContact O-C 3.51Å; G349-V352 PolarHBondContact O-N 3.1Å
350S77.8Confident73.1Confident80 Ų8055.6 Ų55.656%0.55932%0.318SS*.Hα-helixtrans-70.6-26.1173.874.50000114.2R346 Y347 I348R346-S350 WeakPolarHBondContact O-CB 3.17Å; R346-S350 PolarHBondContact O-N 3.33Å; Y347-S350 PolarHBondContact O-N 3.45Å; Y347-S350 PolarHBondContact O-OG 3.36Å; I348-S350 PolarHBondContact O-N 2.84Å; I348-S350 VanDerWaalsContact O-N 3.16Å
351L71.7Confident72Confident47 Ų4758.6 Ų58.625%0.24633%0.334CS..Hα-helixtrans-80.5-30.5172.1-63.3170.3000111Q216 F219 Y347 I348 G349 S353 A356Q216-L351 HydrophobicContact CG-CD1 4.03Å; F219-L351 HydrophobicContact CB-CD1 3.81Å; F219-L351 HydrophobicContact CD1-CB 4.01Å; F219-L351 HydrophobicContact CD1-CD1 4.23Å; F219-L351 HydrophobicContact CD2-CB 4.03Å; F219-L351 HydrophobicContact CE1-CB 4.14Å; F219-L351 HydrophobicContact CE2-CB 4.2Å; F219-L351 HydrophobicContact CG-CB 3.93Å; F219-L351 HydrophobicContact CG-CD1 4.02Å; F219-L351 HydrophobicContact CZ-CB 4.23Å; Y347-L351 WeakPolarHBondContact O-CG 3.49Å; Y347-L351 PolarHBondContact O-N 3.24Å; Y347-L351 VanDerWaalsContact O-N 3.16Å; I348-L351 CarbonylContact O-C 3.52Å; I348-L351 WeakPolarHBondContact O-CA 3.33Å; I348-L351 WeakPolarHBondContact O-CB 3.49Å; I348-L351 PolarHBondContact O-N 3.32Å; G349-L351 VanDerWaalsContact C-N 3.33Å; L351-S353 PolarHBondContact O-N 3.33Å; L351-A356 WeakPolarHBondContact O-CB 3.24Å
352V68.5Low71.2Confident51 Ų5165.1 Ų65.131%0.30936%0.357SS..  trans-75.760.2169.4-164.10000110.5F219 I226 L227 I348 G349F219-V352 HydrophobicContact CD2-CG2 4.37Å; F219-V352 HydrophobicContact CE2-CG2 3.95Å; I226-V352 HydrophobicContact CG2-CG2 3.38Å; L227-V352 HydrophobicContact CD2-CG1 3.91Å; I348-V352 HydrophobicContact CG2-CG2 4.06Å; I348-V352 VanDerWaalsContact O-CG2 3.32Å; I348-V352 WeakPolarHBondContact O-CG2 3.46Å; I348-V352 PolarHBondContact O-N 3.23Å; G349-V352 CarbonylContact O-C 3.51Å; G349-V352 PolarHBondContact O-N 3.1Å
353S60.3Low70.7Confident56 Ų5666.1 Ų66.139%0.39236%0.362SS..  trans-86.2140.7162-169.40000108.4L351 N355 A356L351-S353 PolarHBondContact O-N 3.33Å; S353-N355 PolarHBondContact O-N 2.75Å; S353-A356 WeakPolarHBondContact O-CB 3.24Å; S353-A356 PolarHBondContact O-N 2.72Å
354P55.6Low70.3Confident119 Ų11968.3 Ų68.377%0.77337%0.37SS*.Hα-helixtrans-56.8-28.3179.820.4-32.6000112.9
355N54.2Low70.1Confident117 Ų11771.9 Ų71.963%0.62639%0.386SS*.Hα-helixtrans-88-14.5175.2-67.33.2000113.4S353 N359S353-N355 PolarHBondContact O-N 2.75Å; N355-N359 WeakPolarHBondContact O-CB 3.29Å; N355-N359 PolarHBondContact O-N 2.92Å; N355-N359 PolarHBondContact O-ND2 3.25Å
356A52.9Low70.1Confident29 Ų2973.5 Ų73.524%0.2439%0.394CS..Hα-helixtrans-73.6-39.4-177.600000111.8L351 S353 N359 F360L351-A356 WeakPolarHBondContact O-CB 3.24Å; S353-A356 WeakPolarHBondContact O-CB 3.24Å; S353-A356 PolarHBondContact O-N 2.72Å; A356-N359 PolarHBondContact O-N 2.95Å; A356-F360 VanDerWaalsContact O-CB 3.24Å; A356-F360 WeakPolarHBondContact O-CB 3.08Å; A356-F360 PolarHBondContact O-N 2.97Å
357G56.4Low70.3Confident6 Ų670.9 Ų70.96%0.06239%0.39CS..Hα-helixtrans-56.4-55.1175.900000111.6N359 F360 D361G357-N359 VanDerWaalsContact C-N 3.31Å; G357-N359 PolarHBondContact O-N 3.35Å; G357-F360 PolarHBondContact O-N 2.97Å; G357-F360 VanDerWaalsContact O-N 3.11Å; G357-D361 WeakPolarHBondContact O-CB 3.45Å; G357-D361 VanDerWaalsContact O-CG 3.28Å; G357-D361 PolarHBondContact O-N 3.31Å; G357-D361 VanDerWaalsContact O-OD2 3.14Å
358A61Low70.5Confident67 Ų6768.6 Ų68.655%0.55438%0.381SS*.Hα-helixtrans-60.7-36.6178.400000113.6R362A358-R362 WeakPolarHBondContact O-CB 3.27Å; A358-R362 PolarHBondContact O-N 3.28Å
359N61.9Low71.1Confident97 Ų9770.6 Ų70.652%0.51939%0.391SS..Hα-helixtrans-71-38.9175.7-79.2-46.7000112.2N355 A356 G357 R362 Q363N355-N359 WeakPolarHBondContact O-CB 3.29Å; N355-N359 PolarHBondContact O-N 2.92Å; N355-N359 PolarHBondContact O-ND2 3.25Å; A356-N359 PolarHBondContact O-N 2.95Å; G357-N359 VanDerWaalsContact C-N 3.31Å; G357-N359 PolarHBondContact O-N 3.35Å; N359-R362 PolarHBondContact O-N 2.99Å; N359-Q363 WeakPolarHBondContact O-CB 3.46Å; N359-Q363 PolarHBondContact O-N 3.27Å
360F63.9Low71.7Confident42 Ų4275 Ų7518%0.18440%0.4CS..Hα-helixtrans-68.9-46.2179-176.2-111.3000111.1H220 H223 A356 G357 R362 Q363 K364 Y420H220-F360 AromaticContact CE1-CD2 3.81Å; H220-F360 AromaticContact CE1-CE2 3.08Å; H220-F360 WeakPolarHBondContact CE1-CE2 3.44Å; H220-F360 AromaticContact CE1-CZ 3.29Å; H220-F360 WeakPolarHBondContact CE1-CZ 3.36Å; H220-F360 AromaticContact ND1-CE1 3.46Å; H220-F360 WeakPolarHBondContact ND1-CE1 3.39Å; H220-F360 AromaticContact ND1-CE2 3.27Å; H220-F360 VanDerWaalsContact ND1-CE2 3.27Å; H220-F360 WeakPolarHBondContact ND1-CE2 3.27Å; H220-F360 AromaticContact ND1-CZ 2.89Å; H220-F360 WeakPolarHBondContact ND1-CZ 3.25Å; H223-F360 AromaticContact CD2-CD1 3.94Å; H223-F360 AromaticContact NE2-CD1 3.76Å; A356-F360 VanDerWaalsContact O-CB 3.24Å; A356-F360 WeakPolarHBondContact O-CB 3.08Å; A356-F360 PolarHBondContact O-N 2.97Å; G357-F360 PolarHBondContact O-N 2.97Å; G357-F360 VanDerWaalsContact O-N 3.11Å; F360-R362 VanDerWaalsContact C-N 3.29Å; F360-R362 PolarHBondContact O-N 2.79Å; F360-Q363 PolarHBondContact O-N 2.74Å; F360-Q363 VanDerWaalsContact O-N 3.11Å; F360-K364 WeakPolarHBondContact O-CB 3.35Å; F360-K364 PolarHBondContact O-N 3.47Å; F360-Y420 WeakPolarHBondContact CD1-OH 3.34Å; F360-Y420 AromaticContact CE1-CE2 3.97Å; F360-Y420 HydrophobicContact CE1-CE2 3.97Å; F360-Y420 AromaticContact CE1-CZ 3.71Å; F360-Y420 WeakPolarHBondContact CE1-OH 3.38Å
361D68.5Low72.4Confident62 Ų6273.5 Ų73.533%0.33239%0.387SS..Hα-helixtrans-61.6-40.2175-65.4-32.1000111H223 G357 K364 K365 Y420H223-D361 IonicContact CE1-OD1 3.13Å; H223-D361 PolarHBondContact CE1-OD1 2.83Å; H223-D361 IonicContact CE1-OD2 3.08Å; H223-D361 IonicContact ND1-OD1 3.69Å; G357-D361 WeakPolarHBondContact O-CB 3.45Å; G357-D361 VanDerWaalsContact O-CG 3.28Å; G357-D361 PolarHBondContact O-N 3.31Å; G357-D361 VanDerWaalsContact O-OD2 3.14Å; D361-K364 PolarHBondContact O-N 2.84Å; D361-K365 WeakPolarHBondContact O-CB 2.89Å; D361-K365 PolarHBondContact O-N 3.11Å; D361-Y420 WeakPolarHBondContact OD1-CE1 3.45Å; D361-Y420 PolarHBondContact OD1-OH 3.49Å
362R73.7Confident73.4Confident167 Ų16771.2 Ų71.263%0.6338%0.375SS*.Hα-helixtrans-62-45.1172.2-177.3-179.5179.5-175.82.2112.1A358 N359 F360 K365 L366A358-R362 WeakPolarHBondContact O-CB 3.27Å; A358-R362 PolarHBondContact O-N 3.28Å; N359-R362 PolarHBondContact O-N 2.99Å; F360-R362 VanDerWaalsContact C-N 3.29Å; F360-R362 PolarHBondContact O-N 2.79Å; R362-K365 PolarHBondContact O-N 2.83Å; R362-L366 HydrophobicContact CG-CD1 4.11Å; R362-L366 WeakPolarHBondContact O-CB 3.47Å; R362-L366 VanDerWaalsContact O-CG 3.27Å; R362-L366 WeakPolarHBondContact O-CG 3.44Å; R362-L366 PolarHBondContact O-N 3.18Å
363Q77.5Confident74.5Confident129 Ų12970.4 Ų70.460%0.60337%0.369SS*.Hα-helixtrans-64.8-42.6179.6-175.3176.2-2.800111.2N359 F360 L366 Q367N359-Q363 WeakPolarHBondContact O-CB 3.46Å; N359-Q363 PolarHBondContact O-N 3.27Å; F360-Q363 PolarHBondContact O-N 2.74Å; F360-Q363 VanDerWaalsContact O-N 3.11Å; Q363-L366 PolarHBondContact O-N 3.38Å; Q363-Q367 WeakPolarHBondContact O-CB 3.42Å; Q363-Q367 PolarHBondContact O-N 3.49Å
364K78.9Confident76Confident54 Ų5469.7 Ų69.724%0.23536%0.364CS..Hα-helixtrans-67.4-38.3176.7-177.4154.7173.61710112.2F360 D361 Q367 T368 Y420F360-K364 WeakPolarHBondContact O-CB 3.35Å; F360-K364 PolarHBondContact O-N 3.47Å; D361-K364 PolarHBondContact O-N 2.84Å; K364-Q367 PolarHBondContact O-N 3.12Å; K364-T368 WeakPolarHBondContact O-CB 3.28Å; K364-T368 PolarHBondContact O-N 3.22Å; K364-T368 PolarHBondContact O-OG1 2.96Å; K364-Y420 HydrophobicContact CD-CD1 3.55Å; K364-Y420 HydrophobicContact CD-CD2 4.07Å; K364-Y420 HydrophobicContact CD-CE1 3.53Å; K364-Y420 HydrophobicContact CD-CE2 3.96Å; K364-Y420 HydrophobicContact CD-CG 3.84Å; K364-Y420 HydrophobicContact CG-CD1 4.33Å; K364-Y420 HydrophobicContact CG-CE1 4.28Å; K364-Y420 VanDerWaalsContact NZ-CB 3.27Å
365K82.3Confident77.9Confident75 Ų7566.7 Ų66.733%0.32634%0.341SS..Hα-helixtrans-61.4-45.8172-172.6170.4-174.6159.70111.4D361 R362 T368 Q369 L517 G518 L519D361-K365 WeakPolarHBondContact O-CB 2.89Å; D361-K365 PolarHBondContact O-N 3.11Å; R362-K365 PolarHBondContact O-N 2.83Å; K365-T368 PolarHBondContact O-N 3.49Å; K365-Q369 WeakPolarHBondContact O-CB 3.28Å; K365-Q369 PolarHBondContact O-N 3.45Å; K365-L517 WeakPolarHBondContact CE-O 3.43Å; K365-L517 PolarHBondContact NZ-O 3.25Å; K365-G518 WeakPolarHBondContact CE-O 3.36Å; K365-G518 PolarHBondContact NZ-O 3.19Å; K365-L519 HydrophobicContact CD-CD2 4.45Å; K365-L519 HydrophobicContact CG-CD2 3.67Å
366L84.6Confident79.7Confident74 Ų7461.2 Ų61.239%0.38731%0.311SS..Hα-helixtrans-61.7-46.1175.7-74.7168000112.1R362 Q363 T368 Q369 E370R362-L366 HydrophobicContact CG-CD1 4.11Å; R362-L366 WeakPolarHBondContact O-CB 3.47Å; R362-L366 VanDerWaalsContact O-CG 3.27Å; R362-L366 WeakPolarHBondContact O-CG 3.44Å; R362-L366 PolarHBondContact O-N 3.18Å; Q363-L366 PolarHBondContact O-N 3.38Å; L366-T368 PolarHBondContact O-N 3.38Å; L366-Q369 WeakPolarHBondContact O-CB 3.31Å; L366-Q369 PolarHBondContact O-N 3.4Å; L366-E370 WeakPolarHBondContact O-CG 3.48Å; L366-E370 PolarHBondContact O-N 3.03Å
367Q87.5Confident81.6Confident121 Ų12160.9 Ų60.957%0.56531%0.305SS*.Hα-helixtrans-60.8-45.4176.7-176.3-178.45.600111.5Q363 K364 Q369 E370 V371Q363-Q367 WeakPolarHBondContact O-CB 3.42Å; Q363-Q367 PolarHBondContact O-N 3.49Å; K364-Q367 PolarHBondContact O-N 3.12Å; Q367-Q369 VanDerWaalsContact C-N 3.32Å; Q367-Q369 PolarHBondContact O-N 3.36Å; Q367-E370 PolarHBondContact O-N 2.96Å; Q367-V371 VanDerWaalsContact O-CG2 3.31Å; Q367-V371 WeakPolarHBondContact O-CG2 3.29Å; Q367-V371 PolarHBondContact O-N 3.08Å
368T88.1Confident83.4Confident5 Ų561 Ų613%0.03131%0.305CS..Hα-helixtrans-61.2-44177.4-56.10000110.6K364 K365 L366 E370 V371 V372 H417 L519K364-T368 WeakPolarHBondContact O-CB 3.28Å; K364-T368 PolarHBondContact O-N 3.22Å; K364-T368 PolarHBondContact O-OG1 2.96Å; K365-T368 PolarHBondContact O-N 3.49Å; L366-T368 PolarHBondContact O-N 3.38Å; T368-E370 PolarHBondContact O-N 3.49Å; T368-V371 PolarHBondContact O-N 2.89Å; T368-V372 HydrophobicContact CG2-CG2 4.14Å; T368-V372 WeakPolarHBondContact O-CB 3.27Å; T368-V372 VanDerWaalsContact O-CG2 3.27Å; T368-V372 WeakPolarHBondContact O-CG2 3.21Å; T368-V372 PolarHBondContact O-N 3.28Å; T368-H417 HydrophobicContact CG2-CB 3.74Å; T368-H417 PolarHBondContact OG1-ND1 3.26Å; T368-L519 HydrophobicContact CG2-CD1 4.25Å
369Q91.1Very high84.9Confident42 Ų4257.8 Ų57.820%0.19628%0.279CS..Hα-helixtrans-59-46.9177-176.9-176.2-62.300111.9K365 L366 Q367 N373 L519 T520K365-Q369 WeakPolarHBondContact O-CB 3.28Å; K365-Q369 PolarHBondContact O-N 3.45Å; L366-Q369 WeakPolarHBondContact O-CB 3.31Å; L366-Q369 PolarHBondContact O-N 3.4Å; Q367-Q369 VanDerWaalsContact C-N 3.32Å; Q367-Q369 PolarHBondContact O-N 3.36Å; Q369-N373 WeakPolarHBondContact O-CB 3.44Å; Q369-N373 PolarHBondContact O-N 3.1Å; Q369-L519 HydrophobicContact CB-CD2 4.39Å; Q369-T520 WeakPolarHBondContact CG-O 3.45Å; Q369-T520 PolarHBondContact NE2-O 2.93Å; Q369-T520 VanDerWaalsContact NE2-O 3.08Å
370E89.1Confident86.4Confident136 Ų13655.1 Ų55.164%0.63626%0.263SS*.Hα-helixtrans-62.8-45.7178.8-73.3176.1-177.200112.1L366 Q367 T368 S374L366-E370 WeakPolarHBondContact O-CG 3.48Å; L366-E370 PolarHBondContact O-N 3.03Å; Q367-E370 PolarHBondContact O-N 2.96Å; T368-E370 PolarHBondContact O-N 3.49Å; E370-S374 VanDerWaalsContact O-CB 3.31Å; E370-S374 WeakPolarHBondContact O-CB 3.44Å; E370-S374 PolarHBondContact O-N 3.39Å
371V93.1Very high87.8Confident47 Ų4753.2 Ų53.229%0.28526%0.255SS..Hα-helixtrans-63.4-51179173.30000110.8Q367 T368 N373 S374 M375 Q413Q367-V371 VanDerWaalsContact O-CG2 3.31Å; Q367-V371 WeakPolarHBondContact O-CG2 3.29Å; Q367-V371 PolarHBondContact O-N 3.08Å; T368-V371 PolarHBondContact O-N 2.89Å; V371-N373 PolarHBondContact O-N 2.85Å; V371-S374 WeakPolarHBondContact O-CB 3.47Å; V371-S374 PolarHBondContact O-N 3.3Å; V371-M375 HydrophobicContact CG1-CE 3.55Å; V371-M375 HydrophobicContact CG1-CG 4.45Å; V371-M375 HydrophobicContact CG1-SD 4Å; V371-M375 WeakPolarHBondContact O-CG 3.37Å; V371-M375 PolarHBondContact O-N 3.38Å; V371-Q413 HydrophobicContact CG1-CG 4Å
372V93Very high89Confident0 Ų050.5 Ų50.50%024%0.24CC..Hα-helixtrans-63.1-42.8180172.20000110.8T368 S374 M375 V376 I410 Q413 L414 I521T368-V372 HydrophobicContact CG2-CG2 4.14Å; T368-V372 WeakPolarHBondContact O-CB 3.27Å; T368-V372 VanDerWaalsContact O-CG2 3.27Å; T368-V372 WeakPolarHBondContact O-CG2 3.21Å; T368-V372 PolarHBondContact O-N 3.28Å; V372-S374 VanDerWaalsContact C-N 3.31Å; V372-S374 PolarHBondContact O-N 3.46Å; V372-M375 PolarHBondContact O-N 3.31Å; V372-V376 HydrophobicContact CG1-CG2 4.12Å; V372-V376 VanDerWaalsContact O-CG2 3.29Å; V372-V376 WeakPolarHBondContact O-CG2 3.44Å; V372-V376 PolarHBondContact O-N 3.44Å; V372-I410 HydrophobicContact CG1-CG2 4.18Å; V372-Q413 HydrophobicContact CG2-CB 4.3Å; V372-Q413 HydrophobicContact CG2-CG 3.78Å; V372-L414 HydrophobicContact CG1-CD2 4.31Å; V372-L414 HydrophobicContact CG2-CD2 3.91Å; V372-L414 HydrophobicContact CG2-CG 4.31Å; V372-I521 HydrophobicContact CG1-CD1 3.6Å; V372-I521 HydrophobicContact CG1-CG1 4.34Å
373N91.7Very high89.9Confident33 Ų3343.5 Ų43.518%0.17622%0.215CC..Hα-helixtrans-60-42.5177.1-170.462.9000111.8Q369 V371 L377 I521 S522 V523Q369-N373 WeakPolarHBondContact O-CB 3.44Å; Q369-N373 PolarHBondContact O-N 3.1Å; V371-N373 PolarHBondContact O-N 2.85Å; N373-L377 WeakPolarHBondContact O-CB 3.4Å; N373-L377 PolarHBondContact O-N 3.32Å; N373-I521 HydrophobicContact CB-CG2 4.38Å; N373-I521 WeakPolarHBondContact OD1-CG2 3.39Å; N373-S522 PolarHBondContact ND2-OG 3.32Å; N373-S522 PolarHBondContact OD1-N 2.84Å; N373-S522 PolarHBondContact OD1-OG 2.96Å; N373-V523 VanDerWaalsContact OD1-CG2 3.23Å; N373-V523 WeakPolarHBondContact OD1-CG2 3.45Å; N373-V523 PolarHBondContact OD1-N 3.49Å
374S92.2Very high90.5Very high42 Ų4241.7 Ų41.729%0.29420%0.203SC..Hα-helixtrans-65-39.8175.5-172.80000112.6E370 V371 V372 S378 K541E370-S374 VanDerWaalsContact O-CB 3.31Å; E370-S374 WeakPolarHBondContact O-CB 3.44Å; E370-S374 PolarHBondContact O-N 3.39Å; V371-S374 WeakPolarHBondContact O-CB 3.47Å; V371-S374 PolarHBondContact O-N 3.3Å; V372-S374 VanDerWaalsContact C-N 3.31Å; V372-S374 PolarHBondContact O-N 3.46Å; S374-S378 PolarHBondContact O-N 3.08Å; S374-S378 PolarHBondContact O-OG 2.9Å; S374-K541 PolarHBondContact OG-NZ 3.37Å
375M94.3Very high91.1Very high56 Ų5639.1 Ų39.128%0.27619%0.191SC..Hα-helixtrans-68.2-45.2176.8-69.7175.2172.500112.1V371 V372 L377 S378 L379 I410 Q413V371-M375 HydrophobicContact CG1-CE 3.55Å; V371-M375 HydrophobicContact CG1-CG 4.45Å; V371-M375 HydrophobicContact CG1-SD 4Å; V371-M375 WeakPolarHBondContact O-CG 3.37Å; V371-M375 PolarHBondContact O-N 3.38Å; V372-M375 PolarHBondContact O-N 3.31Å; M375-L377 VanDerWaalsContact C-N 3.34Å; M375-L377 PolarHBondContact O-N 3.02Å; M375-S378 WeakPolarHBondContact O-CB 3.15Å; M375-S378 PolarHBondContact O-N 3.26Å; M375-L379 PolarHBondContact O-N 3.29Å; M375-I410 HydrophobicContact CB-CD1 4.1Å; M375-I410 HydrophobicContact CB-CG1 3.54Å; M375-I410 HydrophobicContact CG-CG1 4.43Å; M375-I410 HydrophobicContact SD-CG1 4.17Å; M375-Q413 HydrophobicContact SD-CB 4.29Å
376V92.3Very high91.5Very high1 Ų135.6 Ų35.61%0.00618%0.176CC..Hα-helixtrans-63.5-41176.8175.50000110.7V372 S378 L379 Q380 I410 V523 F524V372-V376 HydrophobicContact CG1-CG2 4.12Å; V372-V376 VanDerWaalsContact O-CG2 3.29Å; V372-V376 WeakPolarHBondContact O-CG2 3.44Å; V372-V376 PolarHBondContact O-N 3.44Å; V376-S378 VanDerWaalsContact C-N 3.34Å; V376-S378 PolarHBondContact O-N 3.48Å; V376-L379 WeakPolarHBondContact O-CB 3.33Å; V376-L379 PolarHBondContact O-N 2.84Å; V376-Q380 WeakPolarHBondContact O-CG 3.41Å; V376-Q380 PolarHBondContact O-N 3.2Å; V376-I410 HydrophobicContact CG2-CD1 4Å; V376-I410 HydrophobicContact CG2-CG2 4.31Å; V376-V523 HydrophobicContact CG1-CB 4.24Å; V376-V523 HydrophobicContact CG1-CG1 3.78Å; V376-F524 HydrophobicContact CG1-CE1 3.88Å; V376-F524 HydrophobicContact CG1-CE2 4.26Å; V376-F524 HydrophobicContact CG1-CZ 3.63Å; V376-F524 HydrophobicContact CG2-CE2 4.41Å; V376-F524 HydrophobicContact CG2-CZ 4.17Å
377L92Very high91.8Very high22 Ų2234.9 Ų34.912%0.11518%0.177CC..Hα-helixtrans-60.7-44.8174.3-175.458.3000111.3N373 M375 L379 Q380 L381 V523 E538 K541N373-L377 WeakPolarHBondContact O-CB 3.4Å; N373-L377 PolarHBondContact O-N 3.32Å; M375-L377 VanDerWaalsContact C-N 3.34Å; M375-L377 PolarHBondContact O-N 3.02Å; L377-L379 VanDerWaalsContact C-N 3.31Å; L377-L379 PolarHBondContact O-N 3.46Å; L377-Q380 PolarHBondContact O-N 3.37Å; L377-L381 HydrophobicContact CD1-CD1 4.39Å; L377-L381 HydrophobicContact CD1-CG 4.33Å; L377-L381 HydrophobicContact CG-CD1 4.19Å; L377-L381 VanDerWaalsContact O-CG 3.26Å; L377-L381 WeakPolarHBondContact O-CG 3.43Å; L377-L381 PolarHBondContact O-N 3.38Å; L377-V523 HydrophobicContact CB-CG2 3.8Å; L377-V523 HydrophobicContact CD1-CG2 4.18Å; L377-V523 HydrophobicContact CG-CG2 4.46Å; L377-E538 HydrophobicContact CD1-CG 3.9Å; L377-K541 HydrophobicContact CD2-CB 3.7Å; L377-K541 HydrophobicContact CD2-CG 3.84Å; L377-K541 HydrophobicContact CG-CB 4.16Å; L377-K541 HydrophobicContact CG-CG 3.95Å
378S94.5Very high91.8Very high9 Ų931.4 Ų31.46%0.06317%0.167CC..Hα-helixtrans-57.5-46175.5-52.60000111.5S374 M375 V376 Q380 L381 L382 K541S374-S378 PolarHBondContact O-N 3.08Å; S374-S378 PolarHBondContact O-OG 2.9Å; M375-S378 WeakPolarHBondContact O-CB 3.15Å; M375-S378 PolarHBondContact O-N 3.26Å; V376-S378 VanDerWaalsContact C-N 3.34Å; V376-S378 PolarHBondContact O-N 3.48Å; S378-Q380 PolarHBondContact O-N 3.24Å; S378-L381 PolarHBondContact O-N 3.38Å; S378-L382 WeakPolarHBondContact O-CB 3.15Å; S378-L382 WeakPolarHBondContact O-CD1 3.45Å; S378-L382 VanDerWaalsContact O-CG 3.27Å; S378-L382 WeakPolarHBondContact O-CG 3.38Å; S378-L382 PolarHBondContact O-N 3.4Å; S378-K541 WeakPolarHBondContact OG-CE 3.29Å
379L93.9Very high91.8Very high0 Ų031.2 Ų31.20%017%0.165CC..Hα-helixtrans-59.4-47.6179.8-176.964.9000111.8M375 V376 L377 L381 L382 E383 L402 I410 L502 F505 Y506M375-L379 PolarHBondContact O-N 3.29Å; V376-L379 WeakPolarHBondContact O-CB 3.33Å; V376-L379 PolarHBondContact O-N 2.84Å; L377-L379 VanDerWaalsContact C-N 3.31Å; L377-L379 PolarHBondContact O-N 3.46Å; L379-L381 PolarHBondContact O-N 2.83Å; L379-L382 PolarHBondContact O-N 3.11Å; L379-E383 WeakPolarHBondContact O-CB 3.01Å; L379-E383 PolarHBondContact O-N 2.86Å; L379-L402 HydrophobicContact CD1-CD1 3.78Å; L379-L402 HydrophobicContact CD1-CD2 3.88Å; L379-L402 HydrophobicContact CD1-CG 3.52Å; L379-I410 HydrophobicContact CB-CD1 4.36Å; L379-I410 HydrophobicContact CD2-CD1 3.85Å; L379-L502 HydrophobicContact CD1-CD1 3.96Å; L379-L502 HydrophobicContact CG-CD1 4.23Å; L379-F505 HydrophobicContact CD2-CD1 3.97Å; L379-F505 HydrophobicContact CD2-CE1 3.64Å; L379-Y506 HydrophobicContact CD2-CE1 3.79Å; L379-Y506 HydrophobicContact CG-CE1 4.21Å
380Q92.2Very high91.5Very high41 Ų4134.7 Ų34.719%0.19219%0.185CC..Hα-helixtrans-63.9-39.8178.2-73.4-175.2-9.500113.1V376 L377 S378 R384 Y506 V523V376-Q380 WeakPolarHBondContact O-CG 3.41Å; V376-Q380 PolarHBondContact O-N 3.2Å; L377-Q380 PolarHBondContact O-N 3.37Å; S378-Q380 PolarHBondContact O-N 3.24Å; Q380-R384 WeakPolarHBondContact O-CB 3.37Å; Q380-R384 PolarHBondContact O-N 3.41Å; Q380-Y506 WeakPolarHBondContact CA-OH 3.48Å; Q380-Y506 HydrophobicContact CG-CE1 3.78Å; Q380-Y506 HydrophobicContact CG-CE2 4.42Å; Q380-Y506 WeakPolarHBondContact CG-OH 3.27Å; Q380-Y506 PolarHBondContact N-OH 3.22Å; Q380-V523 HydrophobicContact CG-CG1 4.44Å
381L92.5Very high91.4Very high2 Ų231.4 Ų31.41%0.0117%0.17CC..Hα-helixtrans-66.7-40178.3-68.5178.2000111.8L377 S378 L379 R384 G385 E538 K541 A542 W588 P589L377-L381 HydrophobicContact CD1-CD1 4.39Å; L377-L381 HydrophobicContact CD1-CG 4.33Å; L377-L381 HydrophobicContact CG-CD1 4.19Å; L377-L381 VanDerWaalsContact O-CG 3.26Å; L377-L381 WeakPolarHBondContact O-CG 3.43Å; L377-L381 PolarHBondContact O-N 3.38Å; S378-L381 PolarHBondContact O-N 3.38Å; L379-L381 PolarHBondContact O-N 2.83Å; L381-R384 PolarHBondContact O-N 2.74Å; L381-G385 PolarHBondContact O-N 3.36Å; L381-G385 VanDerWaalsContact O-N 3.1Å; L381-E538 WeakPolarHBondContact CD1-O 3.34Å; L381-E538 HydrophobicContact CD2-CB 3.97Å; L381-E538 HydrophobicContact CD2-CG 4.03Å; L381-K541 HydrophobicContact CD1-CB 3.74Å; L381-K541 HydrophobicContact CD1-CG 3.82Å; L381-A542 HydrophobicContact CD1-CB 4.27Å; L381-W588 HydrophobicContact CD2-CE3 3.72Å; L381-W588 HydrophobicContact CD2-CZ3 3.6Å; L381-P589 HydrophobicContact CB-CG 3.81Å
382L94.2Very high91.1Very high4 Ų434.1 Ų34.12%0.02118%0.183CC..Hα-helixtrans-67.9-42.5176.8-71.5165.7000111.9S378 L379 R384 G385 I386 L402 Y406 L545 P589 T591S378-L382 WeakPolarHBondContact O-CB 3.15Å; S378-L382 WeakPolarHBondContact O-CD1 3.45Å; S378-L382 VanDerWaalsContact O-CG 3.27Å; S378-L382 WeakPolarHBondContact O-CG 3.38Å; S378-L382 PolarHBondContact O-N 3.4Å; L379-L382 PolarHBondContact O-N 3.11Å; L382-R384 VanDerWaalsContact C-N 3.32Å; L382-R384 PolarHBondContact O-N 2.87Å; L382-G385 PolarHBondContact O-N 3.31Å; L382-I386 WeakPolarHBondContact O-CG1 3.49Å; L382-I386 PolarHBondContact O-N 2.95Å; L382-L402 HydrophobicContact CB-CD1 3.52Å; L382-L402 HydrophobicContact CB-CD2 3.97Å; L382-L402 HydrophobicContact CB-CG 4.43Å; L382-L402 HydrophobicContact CD1-CD1 3.57Å; L382-L402 HydrophobicContact CG-CD1 4.15Å; L382-Y406 HydrophobicContact CD1-CD1 3.68Å; L382-Y406 HydrophobicContact CD1-CD2 4.1Å; L382-Y406 HydrophobicContact CD1-CE1 3.48Å; L382-Y406 VanDerWaalsContact CD1-CE1 3.48Å; L382-Y406 HydrophobicContact CD1-CE2 3.91Å; L382-Y406 HydrophobicContact CD1-CG 3.97Å; L382-L545 HydrophobicContact CG-CD1 4.46Å; L382-P589 WeakPolarHBondContact CA-O 3.32Å; L382-P589 HydrophobicContact CD2-CB 3.84Å; L382-P589 HydrophobicContact CD2-CG 4.21Å; L382-P589 HydrophobicContact CG-CG 4.49Å; L382-T591 HydrophobicContact CD1-CG2 4.21Å; L382-T591 HydrophobicContact CD2-CG2 4.04Å
383E93.2Very high90.8Very high21 Ų2138.9 Ų38.910%0.09821%0.212CC..Hα-helixtrans-59.7-42.6174.3-179-174.1-166.800111.5L379 G385 I386 S387 L399 L402 L502 Y506L379-E383 WeakPolarHBondContact O-CB 3.01Å; L379-E383 PolarHBondContact O-N 2.86Å; E383-G385 VanDerWaalsContact C-N 3.33Å; E383-G385 PolarHBondContact O-N 3.42Å; E383-I386 PolarHBondContact O-N 2.83Å; E383-S387 WeakPolarHBondContact O-CB 3.29Å; E383-S387 PolarHBondContact O-N 3.39Å; E383-S387 PolarHBondContact O-OG 3.25Å; E383-L399 HydrophobicContact CG-CD2 4.07Å; E383-L402 HydrophobicContact CB-CD2 3.98Å; E383-L502 HydrophobicContact CB-CD1 4.26Å; E383-L502 HydrophobicContact CG-CD1 4.25Å; E383-L502 HydrophobicContact CG-CG 4.31Å; E383-L502 WeakPolarHBondContact OE1-CB 3.46Å; E383-L502 PolarHBondContact OE1-N 3.04Å; E383-Y506 WeakPolarHBondContact OE2-CE2 3.47Å; E383-Y506 VanDerWaalsContact OE2-CZ 3.24Å; E383-Y506 PolarHBondContact OE2-OH 3.34Å
384R91Very high90.7Very high91 Ų9137.3 Ų37.334%0.34320%0.204SC..Hα-helixtrans-64.1-37.6176.9-174.3159.263-177.4-6112.3Q380 L381 L382 S388 E538 W588Q380-R384 WeakPolarHBondContact O-CB 3.37Å; Q380-R384 PolarHBondContact O-N 3.41Å; L381-R384 PolarHBondContact O-N 2.74Å; L382-R384 VanDerWaalsContact C-N 3.32Å; L382-R384 PolarHBondContact O-N 2.87Å; R384-S388 PolarHBondContact O-OG 3Å; R384-S388 VanDerWaalsContact O-OG 3.14Å; R384-E538 IonicContact CZ-OE2 2.75Å; R384-E538 IonicContact NH1-OE2 3.51Å; R384-E538 PolarHBondContact NH1-OE2 3.24Å; R384-E538 IonicContact NH2-OE2 3.33Å; R384-E538 PolarHBondContact NH2-OE2 3.01Å; R384-W588 HydrophobicContact CG-CG 4.18Å
385G90.1Very high90.7Very high0 Ų037.2 Ų37.20%020%0.197CC..Hα-helixtrans-63.4-45.5172.400000112.6L381 L382 E383 S388 N586L381-G385 PolarHBondContact O-N 3.36Å; L381-G385 VanDerWaalsContact O-N 3.1Å; L382-G385 PolarHBondContact O-N 3.31Å; E383-G385 VanDerWaalsContact C-N 3.33Å; E383-G385 PolarHBondContact O-N 3.42Å; G385-S388 WeakPolarHBondContact O-CB 3.35Å; G385-S388 PolarHBondContact O-N 3.5Å; G385-N586 PolarHBondContact O-ND2 3.25Å; G385-N586 VanDerWaalsContact O-ND2 3.16Å
386I92.2Very high90.4Very high0 Ų036 Ų360%019%0.192CC..Hα-helixtrans-67.7-35.9178.6-70.2161.4000111.6L382 E383 S388 I389 R395 L398 L399 L402 V590 T591L382-I386 WeakPolarHBondContact O-CG1 3.49Å; L382-I386 PolarHBondContact O-N 2.95Å; E383-I386 PolarHBondContact O-N 2.83Å; I386-S388 PolarHBondContact O-N 3Å; I386-S388 VanDerWaalsContact O-N 3.15Å; I386-I389 WeakPolarHBondContact O-CB 3.47Å; I386-I389 PolarHBondContact O-N 3.06Å; I386-R395 HydrophobicContact CG2-CG 3.68Å; I386-L398 HydrophobicContact CD1-CB 3.96Å; I386-L398 HydrophobicContact CG1-CB 4.06Å; I386-L398 HydrophobicContact CG1-CD1 4.39Å; I386-L398 HydrophobicContact CG2-CB 3.8Å; I386-L398 HydrophobicContact CG2-CD1 4.38Å; I386-L399 HydrophobicContact CB-CD2 4.31Å; I386-L399 HydrophobicContact CG2-CD2 3.81Å; I386-L399 HydrophobicContact CG2-CG 3.82Å; I386-L402 HydrophobicContact CD1-CB 4.17Å; I386-L402 HydrophobicContact CD1-CD2 3.95Å; I386-V590 HydrophobicContact CG1-CG1 4.1Å; I386-T591 HydrophobicContact CD1-CG2 4.47Å
387S89.9Confident90.3Very high59 Ų5940.1 Ų40.141%0.41321%0.21SC..Hα-helixtrans-62.4-22.3177.7-60.40000113.2E383 I389E383-S387 WeakPolarHBondContact O-CB 3.29Å; E383-S387 PolarHBondContact O-N 3.39Å; E383-S387 PolarHBondContact O-OG 3.25Å; S387-I389 VanDerWaalsContact C-N 3.28Å; S387-I389 PolarHBondContact O-N 3.28Å
388S87.3Confident90.3Very high49 Ų4939 Ų3934%0.34321%0.205SC..THydrogen-bonded Turntrans-79.9-7.4177.8-55.60000113.7R384 G385 I386R384-S388 PolarHBondContact O-OG 3Å; R384-S388 VanDerWaalsContact O-OG 3.14Å; G385-S388 WeakPolarHBondContact O-CB 3.35Å; G385-S388 PolarHBondContact O-N 3.5Å; I386-S388 PolarHBondContact O-N 3Å; I386-S388 VanDerWaalsContact O-N 3.15Å
389I88.7Confident90.1Very high0 Ų038.6 Ų38.60%020%0.202CC..  trans-79.9135.9176.9-62.5170.7000108.3I386 S387 H391 L394 R395 L398 V590 L600 W603I386-I389 WeakPolarHBondContact O-CB 3.47Å; I386-I389 PolarHBondContact O-N 3.06Å; S387-I389 VanDerWaalsContact C-N 3.28Å; S387-I389 PolarHBondContact O-N 3.28Å; I389-H391 HydrophobicContact CG2-CB 4.45Å; I389-L394 HydrophobicContact CG2-CD2 4.1Å; I389-R395 PolarHBondContact O-NE 2.88Å; I389-R395 PolarHBondContact O-NH2 2.67Å; I389-L398 HydrophobicContact CD1-CD1 3.33Å; I389-V590 HydrophobicContact CD1-CG1 4.41Å; I389-L600 HydrophobicContact CD1-CD1 3.9Å; I389-W603 HydrophobicContact CB-CZ2 4.38Å; I389-W603 HydrophobicContact CG1-CD2 4.22Å; I389-W603 HydrophobicContact CG1-CE3 4.42Å; I389-W603 HydrophobicContact CG1-CH2 4.14Å; I389-W603 HydrophobicContact CG1-CZ2 3.89Å; I389-W603 HydrophobicContact CG1-CZ3 4.37Å; I389-W603 HydrophobicContact CG2-CD2 4.15Å; I389-W603 HydrophobicContact CG2-CG 4.09Å
390N85.4Confident89.9Confident116 Ų11640.6 Ų40.662%0.6221%0.212SC*.  trans-83.4-25.8-174-63.6-20.5000113.4D392 R395N390-D392 PolarHBondContact O-N 2.69Å; N390-R395 VanDerWaalsContact C-NH2 3.32Å; N390-R395 PolarHBondContact O-NH2 2.75Å; N390-R395 VanDerWaalsContact O-NH2 3.1Å
391H86.3Confident89.8Confident67 Ų6740.3 Ų40.331%0.3121%0.211SC..  trans-77.6114.1-176.9-67.4175000112.2I389 T393 L394 R395 E606I389-H391 HydrophobicContact CG2-CB 4.45Å; H391-T393 PolarHBondContact O-N 3.27Å; H391-L394 HydrophobicContact CB-CB 3.89Å; H391-R395 VanDerWaalsContact O-CB 3.24Å; H391-R395 WeakPolarHBondContact O-CB 3.32Å; H391-R395 PolarHBondContact O-N 2.88Å; H391-E606 IonicContact CE1-OE2 3.5Å; H391-E606 PolarHBondContact CE1-OE2 3.28Å; H391-E606 IonicContact NE2-OE2 2.83Å; H391-E606 PolarHBondContact NE2-OE2 3.03Å
392D86.4Confident89.8Confident104 Ų10440.2 Ų40.256%0.55621%0.21SC*.Hα-helixtrans-63.5-43.5-175.5-66.3-22.9000113.4N390 R395 N396N390-D392 PolarHBondContact O-N 2.69Å; D392-R395 PolarHBondContact O-N 3.49Å; D392-R395 IonicContact OD1-CZ 3.82Å; D392-R395 IonicContact OD1-NH1 2.87Å; D392-R395 PolarHBondContact OD1-NH1 3.11Å; D392-R395 IonicContact OD1-NH2 3.87Å; D392-R395 PolarHBondContact OD1-NH2 3.28Å; D392-N396 WeakPolarHBondContact O-CB 3.45Å; D392-N396 PolarHBondContact O-N 3.45Å; D392-N396 PolarHBondContact O-ND2 2.89Å; D392-N396 PolarHBondContact O-OD1 2.97Å
393T87.6Confident89.6Confident100 Ų10040.2 Ų40.261%0.61321%0.21SC*.Hα-helixtrans-63.7-48.9179.749.60000111.8H391 N396 Q397H391-T393 PolarHBondContact O-N 3.27Å; T393-N396 PolarHBondContact O-N 2.81Å; T393-Q397 WeakPolarHBondContact O-CG 3.44Å; T393-Q397 PolarHBondContact O-N 3.42Å; T393-Q397 VanDerWaalsContact O-N 3.12Å
394L89.4Confident89.4Confident0 Ų044.2 Ų44.20%023%0.227CC..Hα-helixtrans-61.3-47.5176.9177.660.3000110.6I389 H391 N396 Q397 L398 C596 E599 L600 W603I389-L394 HydrophobicContact CG2-CD2 4.1Å; H391-L394 HydrophobicContact CB-CB 3.89Å; L394-N396 VanDerWaalsContact C-N 3.3Å; L394-N396 PolarHBondContact O-N 3.41Å; L394-Q397 PolarHBondContact O-N 3Å; L394-Q397 VanDerWaalsContact O-N 3.13Å; L394-L398 HydrophobicContact CD1-CD1 4.18Å; L394-L398 HydrophobicContact CD1-CD2 4.48Å; L394-L398 HydrophobicContact CD1-CG 4.15Å; L394-L398 HydrophobicContact CG-CD1 4.02Å; L394-L398 HydrophobicContact CG-CG 4.38Å; L394-L398 VanDerWaalsContact O-CG 3.28Å; L394-L398 WeakPolarHBondContact O-CG 3.18Å; L394-L398 PolarHBondContact O-N 3.44Å; L394-C596 HydrophobicContact CD1-CB 3.69Å; L394-E599 HydrophobicContact CD1-CB 4.07Å; L394-E599 HydrophobicContact CD2-CB 4.24Å; L394-L600 HydrophobicContact CD2-CD1 4.26Å; L394-W603 HydrophobicContact CD2-CB 4.39Å
395R90.6Very high89.3Confident39 Ų3943.6 Ų43.615%0.14723%0.231CC..Hα-helixtrans-55.2-46.7177.5-167.2-172.8-50.4105.3-1111.4I386 I389 N390 H391 D392 Q397 L398 L399I386-R395 HydrophobicContact CG2-CG 3.68Å; I389-R395 PolarHBondContact O-NE 2.88Å; I389-R395 PolarHBondContact O-NH2 2.67Å; N390-R395 VanDerWaalsContact C-NH2 3.32Å; N390-R395 PolarHBondContact O-NH2 2.75Å; N390-R395 VanDerWaalsContact O-NH2 3.1Å; H391-R395 VanDerWaalsContact O-CB 3.24Å; H391-R395 WeakPolarHBondContact O-CB 3.32Å; H391-R395 PolarHBondContact O-N 2.88Å; D392-R395 PolarHBondContact O-N 3.49Å; D392-R395 IonicContact OD1-CZ 3.82Å; D392-R395 IonicContact OD1-NH1 2.87Å; D392-R395 PolarHBondContact OD1-NH1 3.11Å; D392-R395 IonicContact OD1-NH2 3.87Å; D392-R395 PolarHBondContact OD1-NH2 3.28Å; R395-Q397 PolarHBondContact O-N 3.11Å; R395-L398 PolarHBondContact O-N 2.83Å; R395-L399 HydrophobicContact CG-CD1 4.25Å; R395-L399 WeakPolarHBondContact O-CG 3.48Å; R395-L399 PolarHBondContact O-N 2.94Å
396N88.9Confident89.4Confident32 Ų3247.2 Ų47.217%0.17125%0.245CC..Hα-helixtrans-60.6-44.1178.5-66-9.8000111.6D392 T393 L394 L398 L399 I400 L499D392-N396 WeakPolarHBondContact O-CB 3.45Å; D392-N396 PolarHBondContact O-N 3.45Å; D392-N396 PolarHBondContact O-ND2 2.89Å; D392-N396 PolarHBondContact O-OD1 2.97Å; T393-N396 PolarHBondContact O-N 2.81Å; L394-N396 VanDerWaalsContact C-N 3.3Å; L394-N396 PolarHBondContact O-N 3.41Å; N396-L398 PolarHBondContact O-N 3.35Å; N396-L399 PolarHBondContact O-N 3.29Å; N396-I400 VanDerWaalsContact O-CG1 3.28Å; N396-I400 WeakPolarHBondContact O-CG1 3.38Å; N396-I400 PolarHBondContact O-N 3.23Å; N396-L499 PolarHBondContact OD1-O 3.16Å
397Q90Very high89.3Confident86 Ų8647.2 Ų47.240%0.40225%0.245SC..Hα-helixtrans-63.1-40.7177.6-69.2177.20.700112.2T393 L394 R395 I400 H401 C596T393-Q397 WeakPolarHBondContact O-CG 3.44Å; T393-Q397 PolarHBondContact O-N 3.42Å; T393-Q397 VanDerWaalsContact O-N 3.12Å; L394-Q397 PolarHBondContact O-N 3Å; L394-Q397 VanDerWaalsContact O-N 3.13Å; R395-Q397 PolarHBondContact O-N 3.11Å; Q397-I400 PolarHBondContact O-N 2.75Å; Q397-H401 WeakPolarHBondContact O-CB 3.27Å; Q397-H401 PolarHBondContact O-N 3.38Å; Q397-C596 PolarHBondContact OE1-SG 3.14Å
398L91.2Very high89.2Confident0 Ų045.9 Ų45.90%023%0.233CC..Hα-helixtrans-67.1-40.5177.1-64.3176.8000112I386 I389 L394 R395 N396 H401 L402 A592 C596 L600I386-L398 HydrophobicContact CD1-CB 3.96Å; I386-L398 HydrophobicContact CG1-CB 4.06Å; I386-L398 HydrophobicContact CG1-CD1 4.39Å; I386-L398 HydrophobicContact CG2-CB 3.8Å; I386-L398 HydrophobicContact CG2-CD1 4.38Å; I389-L398 HydrophobicContact CD1-CD1 3.33Å; L394-L398 HydrophobicContact CD1-CD1 4.18Å; L394-L398 HydrophobicContact CD1-CD2 4.48Å; L394-L398 HydrophobicContact CD1-CG 4.15Å; L394-L398 HydrophobicContact CG-CD1 4.02Å; L394-L398 HydrophobicContact CG-CG 4.38Å; L394-L398 VanDerWaalsContact O-CG 3.28Å; L394-L398 WeakPolarHBondContact O-CG 3.18Å; L394-L398 PolarHBondContact O-N 3.44Å; R395-L398 PolarHBondContact O-N 2.83Å; N396-L398 PolarHBondContact O-N 3.35Å; L398-H401 WeakPolarHBondContact O-CB 3.34Å; L398-H401 PolarHBondContact O-N 3.44Å; L398-L402 VanDerWaalsContact O-CB 3.3Å; L398-L402 WeakPolarHBondContact O-CB 3.49Å; L398-L402 PolarHBondContact O-N 2.91Å; L398-A592 HydrophobicContact CD2-CB 3.41Å; L398-A592 VanDerWaalsContact CD2-CB 3.41Å; L398-C596 HydrophobicContact CD2-CB 4.16Å; L398-L600 HydrophobicContact CD1-CD1 4.46Å
399L91Very high89.3Confident0 Ų046.1 Ų46.10%023%0.233CC..Hα-helixtrans-65-40.3175.7-70.9175.2000112E383 I386 R395 N396 H401 L402 L403 L499 L502E383-L399 HydrophobicContact CG-CD2 4.07Å; I386-L399 HydrophobicContact CB-CD2 4.31Å; I386-L399 HydrophobicContact CG2-CD2 3.81Å; I386-L399 HydrophobicContact CG2-CG 3.82Å; R395-L399 HydrophobicContact CG-CD1 4.25Å; R395-L399 WeakPolarHBondContact O-CG 3.48Å; R395-L399 PolarHBondContact O-N 2.94Å; N396-L399 PolarHBondContact O-N 3.29Å; L399-H401 VanDerWaalsContact C-N 3.34Å; L399-H401 PolarHBondContact O-N 2.88Å; L399-L402 HydrophobicContact CD2-CD2 4.46Å; L399-L402 PolarHBondContact O-N 3.41Å; L399-L403 WeakPolarHBondContact O-CB 3.38Å; L399-L403 PolarHBondContact O-N 2.89Å; L399-L499 HydrophobicContact CB-CB 4.11Å; L399-L499 HydrophobicContact CB-CD1 3.98Å; L399-L499 HydrophobicContact CD1-CB 4.03Å; L399-L499 WeakPolarHBondContact CD1-O 2.92Å; L399-L502 HydrophobicContact CD2-CG 4.45Å
400I89.4Confident89.5Confident42 Ų4246.2 Ų46.222%0.21523%0.233CC..Hα-helixtrans-62.5-43.5174.1-67.3166.9000110.6N396 Q397 L403 K404 L499N396-I400 VanDerWaalsContact O-CG1 3.28Å; N396-I400 WeakPolarHBondContact O-CG1 3.38Å; N396-I400 PolarHBondContact O-N 3.23Å; Q397-I400 PolarHBondContact O-N 2.75Å; I400-L403 PolarHBondContact O-N 3.25Å; I400-K404 HydrophobicContact CG2-CD 4.27Å; I400-K404 WeakPolarHBondContact O-CG 3.26Å; I400-K404 PolarHBondContact O-N 2.88Å; I400-K404 VanDerWaalsContact O-N 3.1Å; I400-L499 HydrophobicContact CG1-CD1 3.94Å
401H91Very high89.8Confident35 Ų3540.7 Ų40.716%0.16220%0.204CC..Hα-helixtrans-61.8-46175.8175.187.2000111.8Q397 L398 L399 L403 K404 N405 P593Q397-H401 WeakPolarHBondContact O-CB 3.27Å; Q397-H401 PolarHBondContact O-N 3.38Å; L398-H401 WeakPolarHBondContact O-CB 3.34Å; L398-H401 PolarHBondContact O-N 3.44Å; L399-H401 VanDerWaalsContact C-N 3.34Å; L399-H401 PolarHBondContact O-N 2.88Å; H401-L403 PolarHBondContact O-N 3.32Å; H401-K404 PolarHBondContact O-N 3.18Å; H401-N405 PolarHBondContact CE1-ND2 2.83Å; H401-N405 PolarHBondContact ND1-ND2 3.33Å; H401-N405 PolarHBondContact NE2-ND2 3.34Å; H401-N405 VanDerWaalsContact NE2-ND2 3.12Å; H401-N405 WeakPolarHBondContact O-CB 3.4Å; H401-N405 PolarHBondContact O-N 3.09Å; H401-P593 HydrophobicContact CB-CG 4.12Å; H401-P593 WeakPolarHBondContact ND1-CB 3.41Å
402L92.4Very high89.9Confident0 Ų040.1 Ų40.10%020%0.199CC..Hα-helixtrans-58.8-47.5178177.964.9000111.1L379 L382 E383 I386 L398 L399 K404 N405 Y406 G407 L502 T591L379-L402 HydrophobicContact CD1-CD1 3.78Å; L379-L402 HydrophobicContact CD1-CD2 3.88Å; L379-L402 HydrophobicContact CD1-CG 3.52Å; L382-L402 HydrophobicContact CB-CD1 3.52Å; L382-L402 HydrophobicContact CB-CD2 3.97Å; L382-L402 HydrophobicContact CB-CG 4.43Å; L382-L402 HydrophobicContact CD1-CD1 3.57Å; L382-L402 HydrophobicContact CG-CD1 4.15Å; E383-L402 HydrophobicContact CB-CD2 3.98Å; I386-L402 HydrophobicContact CD1-CB 4.17Å; I386-L402 HydrophobicContact CD1-CD2 3.95Å; L398-L402 VanDerWaalsContact O-CB 3.3Å; L398-L402 WeakPolarHBondContact O-CB 3.49Å; L398-L402 PolarHBondContact O-N 2.91Å; L399-L402 HydrophobicContact CD2-CD2 4.46Å; L399-L402 PolarHBondContact O-N 3.41Å; L402-K404 VanDerWaalsContact C-N 3.34Å; L402-K404 PolarHBondContact O-N 3.26Å; L402-N405 PolarHBondContact O-N 3.28Å; L402-Y406 HydrophobicContact CD1-CD2 3.58Å; L402-Y406 HydrophobicContact CD1-CE2 4.26Å; L402-Y406 HydrophobicContact CD1-CG 3.85Å; L402-Y406 WeakPolarHBondContact O-CA 3.47Å; L402-Y406 WeakPolarHBondContact O-CB 3.48Å; L402-Y406 PolarHBondContact O-N 3.45Å; L402-G407 PolarHBondContact O-N 2.93Å; L402-L502 HydrophobicContact CD2-CD1 3.85Å; L402-L502 HydrophobicContact CG-CD1 4.41Å; L402-T591 HydrophobicContact CB-CG2 4.42Å; L402-T591 HydrophobicContact CD1-CG2 3.73Å
403L89.5Confident90.1Very high4 Ų437.7 Ų37.72%0.02118%0.184CC..Iπ-helixtrans-59.5-44.4178.4-178.958.5000111.3L399 I400 H401 G407 M408 F492 L499 L502 F505L399-L403 WeakPolarHBondContact O-CB 3.38Å; L399-L403 PolarHBondContact O-N 2.89Å; I400-L403 PolarHBondContact O-N 3.25Å; H401-L403 PolarHBondContact O-N 3.32Å; L403-G407 CarbonylContact O-C 3.57Å; L403-G407 WeakPolarHBondContact O-CA 3.44Å; L403-G407 PolarHBondContact O-N 3.41Å; L403-M408 PolarHBondContact O-N 3.31Å; L403-F492 HydrophobicContact CB-CE1 4.49Å; L403-F492 HydrophobicContact CD1-CD1 3.96Å; L403-F492 HydrophobicContact CD1-CE1 3.46Å; L403-F492 VanDerWaalsContact CD1-CE1 3.46Å; L403-F492 HydrophobicContact CD1-CE2 4.36Å; L403-F492 HydrophobicContact CD1-CZ 3.63Å; L403-F492 HydrophobicContact CD2-CD1 3.99Å; L403-F492 HydrophobicContact CD2-CE1 4.21Å; L403-F492 HydrophobicContact CG-CD1 3.69Å; L403-F492 HydrophobicContact CG-CE1 3.39Å; L403-F492 HydrophobicContact CG-CZ 4.1Å; L403-F492 VanDerWaalsContact O-CE1 3.3Å; L403-F492 WeakPolarHBondContact O-CE1 3.44Å; L403-L499 HydrophobicContact CD2-CD1 4.4Å; L403-L502 HydrophobicContact CB-CD2 4.33Å; L403-L502 HydrophobicContact CD1-CD2 4.5Å; L403-F505 HydrophobicContact CD1-CB 4.31Å; L403-F505 HydrophobicContact CD1-CD1 3.72Å; L403-F505 HydrophobicContact CD1-CD2 3.82Å; L403-F505 HydrophobicContact CD1-CE1 3.82Å; L403-F505 HydrophobicContact CD1-CE2 3.99Å; L403-F505 HydrophobicContact CD1-CG 3.66Å; L403-F505 HydrophobicContact CD1-CZ 3.91Å
404K88.8Confident90.2Very high104 Ų10433 Ų3345%0.45216%0.155SC..Iπ-helixtrans-66.2-44.3178.2-72.2178.3180-178.30113I400 H401 L402 M408I400-K404 HydrophobicContact CG2-CD 4.27Å; I400-K404 WeakPolarHBondContact O-CG 3.26Å; I400-K404 PolarHBondContact O-N 2.88Å; I400-K404 VanDerWaalsContact O-N 3.1Å; H401-K404 PolarHBondContact O-N 3.18Å; L402-K404 VanDerWaalsContact C-N 3.34Å; L402-K404 PolarHBondContact O-N 3.26Å; K404-M408 WeakPolarHBondContact O-CB 3.48Å
405N90Very high90.1Very high79 Ų7933 Ų3342%0.42216%0.155SC..Iπ-helixtrans-91.6-21.9-171.2-75.8-19.8000115.1H401 L402 P409H401-N405 PolarHBondContact CE1-ND2 2.83Å; H401-N405 PolarHBondContact ND1-ND2 3.33Å; H401-N405 PolarHBondContact NE2-ND2 3.34Å; H401-N405 VanDerWaalsContact NE2-ND2 3.12Å; H401-N405 WeakPolarHBondContact O-CB 3.4Å; H401-N405 PolarHBondContact O-N 3.09Å; L402-N405 PolarHBondContact O-N 3.28Å; N405-P409 WeakPolarHBondContact O-CD 3.27Å; N405-P409 VanDerWaalsContact O-CG 3.22Å; N405-P409 WeakPolarHBondContact O-CG 3.46Å
406Y90.9Very high89.8Confident75 Ų7533.5 Ų33.529%0.29416%0.161SC..Iπ-helixtrans-120.1-36.5-179.3-69.1-98.8000111.8L382 L402 I410 T591L382-Y406 HydrophobicContact CD1-CD1 3.68Å; L382-Y406 HydrophobicContact CD1-CD2 4.1Å; L382-Y406 HydrophobicContact CD1-CE1 3.48Å; L382-Y406 VanDerWaalsContact CD1-CE1 3.48Å; L382-Y406 HydrophobicContact CD1-CE2 3.91Å; L382-Y406 HydrophobicContact CD1-CG 3.97Å; L402-Y406 HydrophobicContact CD1-CD2 3.58Å; L402-Y406 HydrophobicContact CD1-CE2 4.26Å; L402-Y406 HydrophobicContact CD1-CG 3.85Å; L402-Y406 WeakPolarHBondContact O-CA 3.47Å; L402-Y406 WeakPolarHBondContact O-CB 3.48Å; L402-Y406 PolarHBondContact O-N 3.45Å; Y406-I410 WeakPolarHBondContact O-CD1 3.36Å; Y406-I410 WeakPolarHBondContact O-CG1 3.36Å; Y406-T591 HydrophobicContact CD2-CG2 4.32Å; Y406-T591 HydrophobicContact CE2-CG2 3.79Å
407G89.8Confident89.6Confident0 Ų032.5 Ų32.50%016%0.155CC..Iπ-helixtrans-66.4-48.1173.800000112.4L402 L403 I410 V411L402-G407 PolarHBondContact O-N 2.93Å; L403-G407 CarbonylContact O-C 3.57Å; L403-G407 WeakPolarHBondContact O-CA 3.44Å; L403-G407 PolarHBondContact O-N 3.41Å; G407-I410 WeakPolarHBondContact O-CB 3.16Å; G407-I410 PolarHBondContact O-N 3.16Å; G407-I410 VanDerWaalsContact O-N 3.11Å; G407-V411 PolarHBondContact O-N 3.08Å
408M88.1Confident89.3Confident32 Ų3228.4 Ų28.416%0.15814%0.136CC..Hα-helixtrans-65.6-39.9-173.3-159.468.3-14800112.7L403 K404 I410 V411 R412 Y463 L489 F492L403-M408 PolarHBondContact O-N 3.31Å; K404-M408 WeakPolarHBondContact O-CB 3.48Å; M408-I410 VanDerWaalsContact C-N 3.26Å; M408-I410 PolarHBondContact O-N 3.39Å; M408-V411 HydrophobicContact CE-CB 4.22Å; M408-V411 HydrophobicContact CE-CG1 4.2Å; M408-V411 PolarHBondContact O-N 2.85Å; M408-V411 VanDerWaalsContact O-N 3.14Å; M408-R412 PolarHBondContact O-N 2.76Å; M408-Y463 HydrophobicContact CE-CD1 4.37Å; M408-Y463 HydrophobicContact CE-CD2 3.92Å; M408-Y463 HydrophobicContact CE-CE1 3.76Å; M408-Y463 HydrophobicContact CE-CE2 3.23Å; M408-Y463 HydrophobicContact CE-CG 4.44Å; M408-Y463 WeakPolarHBondContact CE-OH 3.21Å; M408-L489 HydrophobicContact CE-CD2 4Å; M408-F492 HydrophobicContact CB-CE1 4.24Å; M408-F492 HydrophobicContact CB-CZ 4.06Å; M408-F492 HydrophobicContact SD-CD1 4.33Å; M408-F492 HydrophobicContact SD-CD2 4.23Å; M408-F492 HydrophobicContact SD-CE1 3.94Å; M408-F492 HydrophobicContact SD-CE2 3.83Å; M408-F492 HydrophobicContact SD-CG 4.47Å; M408-F492 HydrophobicContact SD-CZ 3.73Å
409P91Very high88.8Confident54 Ų5429.1 Ų29.135%0.35114%0.141SC..Hα-helixtrans-58.7-32.5171.6-29.738.9000114.6N405 R412 Q413N405-P409 WeakPolarHBondContact O-CD 3.27Å; N405-P409 VanDerWaalsContact O-CG 3.22Å; N405-P409 WeakPolarHBondContact O-CG 3.46Å; P409-R412 WeakPolarHBondContact O-CB 3.07Å; P409-R412 PolarHBondContact O-N 3.14Å; P409-Q413 WeakPolarHBondContact O-CB 3.42Å; P409-Q413 PolarHBondContact O-N 3.35Å
410I92.5Very high88.1Confident1 Ų130.7 Ų30.71%0.00515%0.147CC..Hα-helixtrans-63.2-46.5174.6-64.4162.3000110V372 M375 V376 L379 Y406 G407 M408 R412 Q413 L414 I509V372-I410 HydrophobicContact CG1-CG2 4.18Å; M375-I410 HydrophobicContact CB-CD1 4.1Å; M375-I410 HydrophobicContact CB-CG1 3.54Å; M375-I410 HydrophobicContact CG-CG1 4.43Å; M375-I410 HydrophobicContact SD-CG1 4.17Å; V376-I410 HydrophobicContact CG2-CD1 4Å; V376-I410 HydrophobicContact CG2-CG2 4.31Å; L379-I410 HydrophobicContact CB-CD1 4.36Å; L379-I410 HydrophobicContact CD2-CD1 3.85Å; Y406-I410 WeakPolarHBondContact O-CD1 3.36Å; Y406-I410 WeakPolarHBondContact O-CG1 3.36Å; G407-I410 WeakPolarHBondContact O-CB 3.16Å; G407-I410 PolarHBondContact O-N 3.16Å; G407-I410 VanDerWaalsContact O-N 3.11Å; M408-I410 VanDerWaalsContact C-N 3.26Å; M408-I410 PolarHBondContact O-N 3.39Å; I410-R412 VanDerWaalsContact C-N 3.29Å; I410-R412 PolarHBondContact O-N 3.13Å; I410-Q413 PolarHBondContact O-N 3.2Å; I410-L414 HydrophobicContact CG2-CD1 4.22Å; I410-L414 WeakPolarHBondContact O-CG 3.45Å; I410-L414 PolarHBondContact O-N 3.02Å; I410-I509 HydrophobicContact CB-CD1 4.31Å; I410-I509 HydrophobicContact CG2-CD1 3.81Å
411V90.3Very high87.5Confident0 Ų033.1 Ų33.10%016%0.158CC..Hα-helixtrans-62.3-40.5177.2-176.70000110.8G407 M408 L414 C415 Y463 V488 F492 F505 I509G407-V411 PolarHBondContact O-N 3.08Å; M408-V411 HydrophobicContact CE-CB 4.22Å; M408-V411 HydrophobicContact CE-CG1 4.2Å; M408-V411 PolarHBondContact O-N 2.85Å; M408-V411 VanDerWaalsContact O-N 3.14Å; V411-L414 PolarHBondContact O-N 2.96Å; V411-C415 WeakPolarHBondContact O-CB 3.4Å; V411-C415 PolarHBondContact O-N 3.07Å; V411-C415 PolarHBondContact O-SG 3.16Å; V411-Y463 HydrophobicContact CG1-CD1 4.48Å; V411-Y463 HydrophobicContact CG1-CE1 3.95Å; V411-V488 HydrophobicContact CG1-CG1 4.22Å; V411-V488 HydrophobicContact CG2-CG1 3.46Å; V411-V488 VanDerWaalsContact CG2-CG1 3.46Å; V411-F492 HydrophobicContact CG2-CE2 3.64Å; V411-F492 HydrophobicContact CG2-CZ 4.45Å; V411-F505 HydrophobicContact CG2-CE2 4.37Å; V411-F505 HydrophobicContact CG2-CZ 4.32Å; V411-I509 HydrophobicContact CG2-CD1 4.49Å
412R88.9Confident86.6Confident56 Ų5633 Ų3321%0.21116%0.157CC..Hα-helixtrans-59.4-49.2175.1-173.665.6-177.2102.720.5111.5M408 P409 I410 L414 C415 D416 W426 L458 Y463M408-R412 PolarHBondContact O-N 2.76Å; P409-R412 WeakPolarHBondContact O-CB 3.07Å; P409-R412 PolarHBondContact O-N 3.14Å; I410-R412 VanDerWaalsContact C-N 3.29Å; I410-R412 PolarHBondContact O-N 3.13Å; R412-L414 VanDerWaalsContact C-N 3.3Å; R412-L414 PolarHBondContact O-N 3.14Å; R412-C415 CarbonylContact O-C 3.51Å; R412-C415 PolarHBondContact O-N 2.93Å; R412-C415 VanDerWaalsContact O-N 3.12Å; R412-D416 VanDerWaalsContact CZ-CG 3.49Å; R412-D416 IonicContact CZ-OD1 2.88Å; R412-D416 IonicContact CZ-OD2 2.66Å; R412-D416 IonicContact NE-OD2 3.35Å; R412-D416 VanDerWaalsContact NH1-CG 3.29Å; R412-D416 IonicContact NH1-OD1 3.16Å; R412-D416 PolarHBondContact NH1-OD1 3.12Å; R412-D416 IonicContact NH1-OD2 2.9Å; R412-D416 IonicContact NH2-OD1 3.45Å; R412-D416 PolarHBondContact NH2-OD1 3.37Å; R412-D416 IonicContact NH2-OD2 3.84Å; R412-D416 PolarHBondContact NH2-OD2 3.45Å; R412-D416 PolarHBondContact O-N 3.48Å; R412-W426 VanDerWaalsContact CZ-CD2 3.41Å; R412-W426 VanDerWaalsContact NH1-CH2 3.28Å; R412-W426 VanDerWaalsContact NH1-CZ2 3.28Å; R412-L458 HydrophobicContact CB-CD2 4.41Å; R412-L458 HydrophobicContact CG-CD2 4.29Å; R412-Y463 WeakPolarHBondContact CB-OH 3.42Å; R412-Y463 WeakPolarHBondContact CD-OH 3.4Å
413Q90Very high85.5Confident53 Ų5335.3 Ų35.325%0.24818%0.18CC..Hα-helixtrans-59.9-40.4179.2-173.265.325.900112.2V371 V372 M375 P409 I410 D416 H417V371-Q413 HydrophobicContact CG1-CG 4Å; V372-Q413 HydrophobicContact CG2-CB 4.3Å; V372-Q413 HydrophobicContact CG2-CG 3.78Å; M375-Q413 HydrophobicContact SD-CB 4.29Å; P409-Q413 WeakPolarHBondContact O-CB 3.42Å; P409-Q413 PolarHBondContact O-N 3.35Å; I410-Q413 PolarHBondContact O-N 3.2Å; Q413-D416 PolarHBondContact O-N 3.1Å; Q413-H417 PolarHBondContact O-N 3Å; Q413-H417 VanDerWaalsContact O-N 3.11Å
414L89.9Confident84.6Confident0 Ų035.9 Ų35.90%018%0.183CC..Hα-helixtrans-67-42.3174.7-68.6172.9000111.5V372 I410 V411 R412 D416 H417 I418 L512 L517 L519V372-L414 HydrophobicContact CG1-CD2 4.31Å; V372-L414 HydrophobicContact CG2-CD2 3.91Å; V372-L414 HydrophobicContact CG2-CG 4.31Å; I410-L414 HydrophobicContact CG2-CD1 4.22Å; I410-L414 WeakPolarHBondContact O-CG 3.45Å; I410-L414 PolarHBondContact O-N 3.02Å; V411-L414 PolarHBondContact O-N 2.96Å; R412-L414 VanDerWaalsContact C-N 3.3Å; R412-L414 PolarHBondContact O-N 3.14Å; L414-D416 VanDerWaalsContact C-N 3.29Å; L414-D416 PolarHBondContact O-N 2.88Å; L414-H417 WeakPolarHBondContact O-CB 3.31Å; L414-H417 PolarHBondContact O-N 3.38Å; L414-H417 VanDerWaalsContact O-N 3.16Å; L414-I418 WeakPolarHBondContact O-CD1 3.49Å; L414-I418 VanDerWaalsContact O-CG1 3.29Å; L414-I418 WeakPolarHBondContact O-CG1 3.26Å; L414-I418 PolarHBondContact O-N 2.89Å; L414-L512 HydrophobicContact CB-CD2 4.5Å; L414-L512 HydrophobicContact CD1-CD2 4.09Å; L414-L512 HydrophobicContact CD1-CG 4.43Å; L414-L517 HydrophobicContact CD2-CD1 3.96Å; L414-L519 HydrophobicContact CD2-CD1 3.66Å
415C87.6Confident83.7Confident0 Ų035.6 Ų35.60%019%0.192CC..Hα-helixtrans-65.2-32.8176-680000112.6V411 R412 H417 I418 S419 W426 Y463 L466V411-C415 WeakPolarHBondContact O-CB 3.4Å; V411-C415 PolarHBondContact O-N 3.07Å; V411-C415 PolarHBondContact O-SG 3.16Å; R412-C415 CarbonylContact O-C 3.51Å; R412-C415 PolarHBondContact O-N 2.93Å; R412-C415 VanDerWaalsContact O-N 3.12Å; C415-H417 VanDerWaalsContact C-N 3.32Å; C415-I418 PolarHBondContact O-N 3.42Å; C415-S419 VanDerWaalsContact O-CB 3.27Å; C415-S419 WeakPolarHBondContact O-CB 3.48Å; C415-S419 PolarHBondContact O-N 3.31Å; C415-S419 PolarHBondContact O-OG 2.99Å; C415-W426 HydrophobicContact CB-CH2 4.2Å; C415-W426 HydrophobicContact CB-CZ3 3.7Å; C415-Y463 HydrophobicContact CB-CE1 4.36Å; C415-L466 HydrophobicContact CB-CD2 3.85Å
416D85.4Confident82.7Confident50 Ų5033.9 Ų33.927%0.26718%0.18SC..Hα-helixtrans-69.9-30173.3-78.9-32.5000112.9R412 Q413 L414 S419 Y420R412-D416 VanDerWaalsContact CZ-CG 3.49Å; R412-D416 IonicContact CZ-OD1 2.88Å; R412-D416 IonicContact CZ-OD2 2.66Å; R412-D416 IonicContact NE-OD2 3.35Å; R412-D416 VanDerWaalsContact NH1-CG 3.29Å; R412-D416 IonicContact NH1-OD1 3.16Å; R412-D416 PolarHBondContact NH1-OD1 3.12Å; R412-D416 IonicContact NH1-OD2 2.9Å; R412-D416 IonicContact NH2-OD1 3.45Å; R412-D416 PolarHBondContact NH2-OD1 3.37Å; R412-D416 IonicContact NH2-OD2 3.84Å; R412-D416 PolarHBondContact NH2-OD2 3.45Å; R412-D416 PolarHBondContact O-N 3.48Å; Q413-D416 PolarHBondContact O-N 3.1Å; L414-D416 VanDerWaalsContact C-N 3.29Å; L414-D416 PolarHBondContact O-N 2.88Å; D416-S419 WeakPolarHBondContact CA-OG 3.29Å; D416-S419 PolarHBondContact O-OG 3.14Å; D416-Y420 WeakPolarHBondContact O-CB 3.38Å; D416-Y420 PolarHBondContact O-N 3.46Å
417H84.7Confident81.2Confident12 Ų1230.9 Ų30.96%0.05617%0.17CC..Hα-helixtrans-69.2-46.1170.5-173.666.8000111.2T368 Q413 L414 C415 Y420 E421T368-H417 HydrophobicContact CG2-CB 3.74Å; T368-H417 PolarHBondContact OG1-ND1 3.26Å; Q413-H417 PolarHBondContact O-N 3Å; Q413-H417 VanDerWaalsContact O-N 3.11Å; L414-H417 WeakPolarHBondContact O-CB 3.31Å; L414-H417 PolarHBondContact O-N 3.38Å; L414-H417 VanDerWaalsContact O-N 3.16Å; C415-H417 VanDerWaalsContact C-N 3.32Å; H417-Y420 WeakPolarHBondContact O-CB 3.19Å; H417-Y420 PolarHBondContact O-N 2.84Å; H417-E421 WeakPolarHBondContact O-CB 3.19Å; H417-E421 PolarHBondContact O-N 2.89Å
418I83.8Confident79.5Confident0 Ų033.8 Ų33.80%020%0.199CC..Hα-helixtrans-62.8-47.4177.9-67.7160.5000110.7L414 C415 Y420 E421 F422 L470 I481 I485 L512 L517L414-I418 WeakPolarHBondContact O-CD1 3.49Å; L414-I418 VanDerWaalsContact O-CG1 3.29Å; L414-I418 WeakPolarHBondContact O-CG1 3.26Å; L414-I418 PolarHBondContact O-N 2.89Å; C415-I418 PolarHBondContact O-N 3.42Å; I418-Y420 PolarHBondContact O-N 3.46Å; I418-E421 PolarHBondContact O-N 3.4Å; I418-E421 VanDerWaalsContact O-N 3.08Å; I418-F422 HydrophobicContact CG2-CD2 3.77Å; I418-F422 HydrophobicContact CG2-CE2 4.09Å; I418-F422 VanDerWaalsContact O-CD2 3.31Å; I418-F422 WeakPolarHBondContact O-CD2 3.22Å; I418-F422 PolarHBondContact O-N 3.48Å; I418-L470 HydrophobicContact CG2-CD1 3.87Å; I418-L470 HydrophobicContact CG2-CD2 3.91Å; I418-L470 HydrophobicContact CG2-CG 4.49Å; I418-I481 HydrophobicContact CD1-CG2 3.67Å; I418-I481 HydrophobicContact CG1-CG2 4.13Å; I418-I481 HydrophobicContact CG2-CG2 3.91Å; I418-I485 HydrophobicContact CD1-CD1 3.98Å; I418-I485 HydrophobicContact CD1-CG1 4.24Å; I418-L512 HydrophobicContact CD1-CD1 4.26Å; I418-L517 HydrophobicContact CD1-CD1 4.17Å; I418-L517 HydrophobicContact CD1-CD2 4.36Å; I418-L517 HydrophobicContact CG1-CD1 4.13Å; I418-L517 HydrophobicContact CG1-CD2 3.75Å
419S80Confident77.3Confident15 Ų1536 Ų3611%0.10522%0.218CC..Hα-helixtrans-57.8-39.8179.469.60000111.1C415 D416 G423 I424C415-S419 VanDerWaalsContact O-CB 3.27Å; C415-S419 WeakPolarHBondContact O-CB 3.48Å; C415-S419 PolarHBondContact O-N 3.31Å; C415-S419 PolarHBondContact O-OG 2.99Å; D416-S419 WeakPolarHBondContact CA-OG 3.29Å; D416-S419 PolarHBondContact O-OG 3.14Å; S419-G423 CarbonylContact O-C 3.57Å; S419-G423 WeakPolarHBondContact O-CA 3.44Å; S419-G423 PolarHBondContact O-N 3.32Å; S419-I424 VanDerWaalsContact CB-O 3.28Å; S419-I424 WeakPolarHBondContact CB-O 3.31Å; S419-I424 PolarHBondContact O-N 3.46Å
420Y76.9Confident74.4Confident33 Ų3339.5 Ų39.513%0.12924%0.239CC..Hα-helixtrans-66.9-46172.8170.4-97.5000113.3H223 F360 D361 K364 D416 H417 I418 F422 G423H223-Y420 HydrophobicContact CB-CE2 4.29Å; H223-Y420 PolarHBondContact ND1-OH 2.9Å; F360-Y420 WeakPolarHBondContact CD1-OH 3.34Å; F360-Y420 AromaticContact CE1-CE2 3.97Å; F360-Y420 HydrophobicContact CE1-CE2 3.97Å; F360-Y420 AromaticContact CE1-CZ 3.71Å; F360-Y420 WeakPolarHBondContact CE1-OH 3.38Å; D361-Y420 WeakPolarHBondContact OD1-CE1 3.45Å; D361-Y420 PolarHBondContact OD1-OH 3.49Å; K364-Y420 HydrophobicContact CD-CD1 3.55Å; K364-Y420 HydrophobicContact CD-CD2 4.07Å; K364-Y420 HydrophobicContact CD-CE1 3.53Å; K364-Y420 HydrophobicContact CD-CE2 3.96Å; K364-Y420 HydrophobicContact CD-CG 3.84Å; K364-Y420 HydrophobicContact CG-CD1 4.33Å; K364-Y420 HydrophobicContact CG-CE1 4.28Å; K364-Y420 VanDerWaalsContact NZ-CB 3.27Å; D416-Y420 WeakPolarHBondContact O-CB 3.38Å; D416-Y420 PolarHBondContact O-N 3.46Å; H417-Y420 WeakPolarHBondContact O-CB 3.19Å; H417-Y420 PolarHBondContact O-N 2.84Å; I418-Y420 PolarHBondContact O-N 3.46Å; Y420-F422 VanDerWaalsContact C-N 3.3Å; Y420-F422 PolarHBondContact O-N 3.24Å; Y420-G423 PolarHBondContact O-N 2.96Å
421E75.3Confident71.5Confident93 Ų9344.8 Ų44.844%0.43527%0.271SS..Hα-helixtrans-61-39.4-178-172175.6-165.700111.9H417 I418H417-E421 WeakPolarHBondContact O-CB 3.19Å; H417-E421 PolarHBondContact O-N 2.89Å; I418-E421 PolarHBondContact O-N 3.4Å; I418-E421 VanDerWaalsContact O-N 3.08Å
422F73.5Confident68.5Low33 Ų3349.1 Ų49.115%0.14530%0.301CS..THydrogen-bonded Turntrans-93.5-0.4179-68.4-85.7000114I418 Y420 I424 L470 L475 A478 I481I418-F422 HydrophobicContact CG2-CD2 3.77Å; I418-F422 HydrophobicContact CG2-CE2 4.09Å; I418-F422 VanDerWaalsContact O-CD2 3.31Å; I418-F422 WeakPolarHBondContact O-CD2 3.22Å; I418-F422 PolarHBondContact O-N 3.48Å; Y420-F422 VanDerWaalsContact C-N 3.3Å; Y420-F422 PolarHBondContact O-N 3.24Å; F422-I424 HydrophobicContact CB-CD1 3.71Å; F422-I424 HydrophobicContact CB-CG1 3.8Å; F422-I424 PolarHBondContact O-N 3.26Å; F422-L470 HydrophobicContact CB-CD2 4.18Å; F422-L470 HydrophobicContact CD1-CD2 4.3Å; F422-L470 HydrophobicContact CD2-CD2 3.76Å; F422-L470 HydrophobicContact CE2-CD2 4.29Å; F422-L470 HydrophobicContact CG-CD2 3.79Å; F422-L475 HydrophobicContact CD1-CD1 4.08Å; F422-L475 HydrophobicContact CE1-CD1 4.02Å; F422-A478 HydrophobicContact CD1-CB 4.28Å; F422-A478 HydrophobicContact CE1-CB 3.79Å; F422-A478 HydrophobicContact CZ-CB 4.28Å; F422-I481 HydrophobicContact CE2-CD1 3.37Å; F422-I481 HydrophobicContact CZ-CD1 3.46Å; F422-I481 VanDerWaalsContact CZ-CD1 3.46Å
423G69.1Low65.6Low47 Ų4755.7 Ų55.749%0.48533%0.331SS..THydrogen-bonded Turntrans62.228.1-176.700000114.1S419 Y420S419-G423 CarbonylContact O-C 3.57Å; S419-G423 WeakPolarHBondContact O-CA 3.44Å; S419-G423 PolarHBondContact O-N 3.32Å; Y420-G423 PolarHBondContact O-N 2.96Å
424I70.6Confident62.6Low16 Ų1660 Ų608%0.08236%0.356CS..PPolyproline II helixtrans-94.4123-177.8-57.9173.3000108.8S419 F422 L466 L469 L470 T473S419-I424 VanDerWaalsContact CB-O 3.28Å; S419-I424 WeakPolarHBondContact CB-O 3.31Å; S419-I424 PolarHBondContact O-N 3.46Å; F422-I424 HydrophobicContact CB-CD1 3.71Å; F422-I424 HydrophobicContact CB-CG1 3.8Å; F422-I424 PolarHBondContact O-N 3.26Å; I424-L466 HydrophobicContact CB-CD1 4.35Å; I424-L466 HydrophobicContact CG2-CD1 3.93Å; I424-L469 HydrophobicContact CD1-CB 4.35Å; I424-L469 HydrophobicContact CG2-CB 3.75Å; I424-L469 HydrophobicContact CG2-CD1 3.59Å; I424-L469 HydrophobicContact CG2-CG 4.24Å; I424-L470 HydrophobicContact CD1-CD2 3.47Å; I424-L470 VanDerWaalsContact CD1-CD2 3.47Å; I424-L470 HydrophobicContact CD1-CG 3.83Å; I424-T473 HydrophobicContact CD1-CG2 3.93Å; I424-T473 HydrophobicContact CG1-CG2 4.43Å
425P69.1Low59.4Low99 Ų9963 Ų6364%0.64339%0.387SS*.PPolyproline II helixtrans-66.3139.5175.426.8-33.1000110.8P427P425-P427 WeakPolarHBondContact O-CD 3.37Å
426W69.1Low56.4Low42 Ų4268.7 Ų68.716%0.15942%0.424CS..PPolyproline II helixtrans-65.3127.1176.9-178-105000110.9R412 C415 G428 S429 Y463 L466R412-W426 VanDerWaalsContact CZ-CD2 3.41Å; R412-W426 VanDerWaalsContact NH1-CH2 3.28Å; R412-W426 VanDerWaalsContact NH1-CZ2 3.28Å; C415-W426 HydrophobicContact CB-CH2 4.2Å; C415-W426 HydrophobicContact CB-CZ3 3.7Å; W426-G428 PolarHBondContact O-N 3.47Å; W426-S429 PolarHBondContact O-N 3.01Å; W426-Y463 AromaticContact CH2-CD1 3.66Å; W426-Y463 HydrophobicContact CH2-CD1 3.66Å; W426-Y463 HydrophobicContact CH2-CD2 4.45Å; W426-Y463 AromaticContact CH2-CE1 3.56Å; W426-Y463 HydrophobicContact CH2-CE1 3.56Å; W426-Y463 HydrophobicContact CH2-CE2 4.36Å; W426-Y463 HydrophobicContact CH2-CG 4.11Å; W426-Y463 AromaticContact CH2-CZ 3.94Å; W426-Y463 HydrophobicContact CZ2-CE1 4.33Å; W426-Y463 HydrophobicContact CZ2-CE2 4.42Å; W426-Y463 HydrophobicContact CZ3-CD1 4.48Å; W426-Y463 HydrophobicContact CZ3-CE1 4.5Å; W426-L466 HydrophobicContact CE3-CD2 4.1Å; W426-L466 HydrophobicContact CZ3-CB 4.19Å; W426-L466 HydrophobicContact CZ3-CD2 3.59Å; W426-L466 HydrophobicContact CZ3-CG 4.44Å
427P60.3Low53.5Low13 Ų1373.7 Ų73.78%0.08445%0.45CS..THydrogen-bonded Turntrans-65.7103.1176.924.1-31.9000110.6P425 S462 R465 L466P425-P427 WeakPolarHBondContact O-CD 3.37Å; P427-S462 WeakPolarHBondContact CG-O 3.31Å; P427-S462 WeakPolarHBondContact O-CB 3.05Å; P427-S462 PolarHBondContact O-OG 2.62Å; P427-R465 HydrophobicContact CB-CB 3.88Å; P427-R465 HydrophobicContact CB-CG 3.76Å; P427-R465 HydrophobicContact CG-CB 3.86Å; P427-R465 HydrophobicContact CG-CG 4.14Å; P427-L466 HydrophobicContact CG-CB 4.49Å
428G52.3Low50.7Low60 Ų6081.1 Ų81.162%0.61948%0.482SS*.THydrogen-bonded Turntrans138.9-21.1-172.800000112.7W426 T430W426-G428 PolarHBondContact O-N 3.47Å; G428-T430 PolarHBondContact O-N 3.31Å
429S42.4Very low47.7Very low80 Ų8087.6 Ų87.656%0.55952%0.521SS*.  trans-72.783.4166.3-171.60000108.5W426 T431W426-S429 PolarHBondContact O-N 3.01Å; S429-T431 PolarHBondContact O-N 2.8Å
430T31.5Very low45.1Very low127 Ų12793.5 Ų93.578%0.77955%0.552SS**  trans-7086.3161.250.60000106.5G428 S432G428-T430 PolarHBondContact O-N 3.31Å; T430-S432 VanDerWaalsContact C-N 3.34Å; T430-S432 PolarHBondContact O-N 2.76Å
431T30.8Very low42.7Very low112 Ų11296.9 Ų96.969%0.68758%0.58SS**  trans-56.8113.1147.1470000104.7S429 K433S429-T431 PolarHBondContact O-N 2.8Å; T431-K433 VanDerWaalsContact C-N 3.28Å; T431-K433 PolarHBondContact O-N 2.68Å
432S26.8Very low40.3Very low90 Ų9097.7 Ų97.763%0.62960%0.597SS**  trans-53.697.5177.9-1690000108.1T430 N434T430-S432 VanDerWaalsContact C-N 3.34Å; T430-S432 PolarHBondContact O-N 2.76Å; S432-N434 PolarHBondContact O-N 2.96Å; S432-N434 PolarHBondContact OG-OD1 3.44Å
433K28.2Very low38.1Very low195 Ų195103.8 Ų103.885%0.84863%0.63SS**  trans-65.490.5154.4-74.3-173.8176.6-176.90104.2T431 G435T431-K433 VanDerWaalsContact C-N 3.28Å; T431-K433 PolarHBondContact O-N 2.68Å; K433-G435 PolarHBondContact O-N 3.28Å
434N26.5Very low35.8Very low142 Ų142107.1 Ų107.176%0.75965%0.646SS**  trans-63.174.9159.9-71.4-11.2000107.2S432S432-N434 PolarHBondContact O-N 2.96Å; S432-N434 PolarHBondContact OG-OD1 3.44Å
435G23.6Very low33.7Very low63 Ų63112.4 Ų112.465%0.64968%0.679SS**  trans-75121.4154.400000106.4K433 L437K433-G435 PolarHBondContact O-N 3.28Å; G435-L437 PolarHBondContact O-N 2.87Å
436P25.6Very low31.7Very low120 Ų120116.5 Ų116.578%0.77969%0.69SS**  trans-78.9111-177.330.9-28.6000107.3
437L22.9Very low29.4Very low155 Ų155121.2 Ų121.281%0.81272%0.719SS**  trans-164.4133.7155.8-130.974.1000113.2G435G435-L437 PolarHBondContact O-N 2.87Å
438K26.4Very low27.7Very low169 Ų169127.3 Ų127.374%0.73575%0.75SS**  trans90.375.7159.3-57.2-176.9179.6178.10116.8N440K438-N440 PolarHBondContact O-N 3.45Å
439T20.1Very low26.2Very low135 Ų135131.4 Ų131.483%0.82876%0.758SS**  trans-46.1116.6134.150.70000109.6
440N26.7Very low25.4Very low140 Ų140133.1 Ų133.175%0.74977%0.765SS**  trans-157115.3155-92.7-15.4000108.9K438K438-N440 PolarHBondContact O-N 3.45Å
441S26.1Very low25Very low103 Ų103136.5 Ų136.572%0.7277%0.769SS**  trans57.5107146.4-52.30000119.4D443S441-D443 PolarHBondContact O-N 3.44Å
442S25.1Very low24.7Very low111 Ų111134.6 Ų134.678%0.77676%0.76SS**  9.9106.4129.6560000116.8
443D27.2Very low24.6Very low160 Ų160138 Ų13886%0.85677%0.771SS**  trans-147.3113.3139.8-107.8-23.6000109.9S441 T445S441-D443 PolarHBondContact O-N 3.44Å; D443-T445 PolarHBondContact O-N 3.28Å
444S20.8Very low24.6Very low117 Ų117134.3 Ų134.382%0.81876%0.76SS**  trans-81.796174.347.20000109.3
445T27.4Very low24.9Very low127 Ų127132.8 Ų132.878%0.77976%0.756SS**  trans-138.1120.3160.642.90000110.3D443 N447D443-T445 PolarHBondContact O-N 3.28Å; T445-N447 PolarHBondContact O-N 3.4Å
446Q25.4Very low25.5Very low186 Ų186138 Ų13887%0.86976%0.763SS**  trans-41.5119.6171.7-64.3175.9-16.400111.6
447N22.3Very low26.3Very low141 Ų141137.3 Ų137.375%0.75476%0.761SS**  trans-136.694.2154.1-138.6-1.4000107.7T445 N449T445-N447 PolarHBondContact O-N 3.4Å; N447-N449 PolarHBondContact O-N 2.95Å
448N22.8Very low27.6Very low141 Ų141133.7 Ų133.775%0.75474%0.742SS**  trans-63.986170.4-75.6-27.5000107.8V450N448-V450 PolarHBondContact O-N 3.18Å
449N22.7Very low29.2Very low146 Ų146127.6 Ų127.678%0.78172%0.721SS**  trans-69.877.9164-94.5-10.8000108N447 K451N447-N449 PolarHBondContact O-N 2.95Å; N449-K451 PolarHBondContact O-N 3.39Å; N449-K451 VanDerWaalsContact O-N 3.14Å
450V24.6Very low31.5Very low115 Ų115125.9 Ų125.970%0.69771%0.706SS**  trans-52.7117.5161174.60000105.7N448 S452N448-V450 PolarHBondContact O-N 3.18Å; V450-S452 PolarHBondContact O-N 2.62Å
451K22.5Very low33.7Very low198 Ų198126.2 Ų126.286%0.86170%0.703SS**  trans-5776.9170.2-68173.7176.8177.20108.7N449N449-K451 PolarHBondContact O-N 3.39Å; N449-K451 VanDerWaalsContact O-N 3.14Å
452S24.5Very low36.2Very low73 Ų73122.4 Ų122.451%0.5168%0.676SS.*  trans-71.7127.8167.652.80000105.7V450 I454V450-S452 PolarHBondContact O-N 2.62Å; S452-I454 PolarHBondContact O-N 2.73Å; S452-I454 VanDerWaalsContact OG-CD1 3.26Å; S452-I454 WeakPolarHBondContact OG-CD1 3.17Å; S452-I454 WeakPolarHBondContact OG-CG1 3.31Å
453N25.7Very low38.9Very low162 Ų162117.2 Ų117.287%0.86664%0.639SS**  trans-66.343.3170.9-70.1-28000111.3T455N453-T455 PolarHBondContact O-N 2.83Å
454I28.6Very low41.4Very low117 Ų117112.8 Ų112.860%0.661%0.613SS**  trans-67.886.9158.5-57172000102.7S452 E456S452-I454 PolarHBondContact O-N 2.73Å; S452-I454 VanDerWaalsContact OG-CD1 3.26Å; S452-I454 WeakPolarHBondContact OG-CD1 3.17Å; S452-I454 WeakPolarHBondContact OG-CG1 3.31Å; I454-E456 PolarHBondContact O-N 2.73Å
455T31.2Very low44.3Very low110 Ų110114.6 Ų114.668%0.67560%0.602SS**  trans-10.389.5132.2390000108N453 S457N453-T455 PolarHBondContact O-N 2.83Å; T455-S457 VanDerWaalsContact C-N 3.32Å; T455-S457 WeakPolarHBondContact O-CA 3.32Å; T455-S457 PolarHBondContact O-N 2.85Å
456E38Very low46.8Very low172 Ų172108.6 Ų108.680%0.80457%0.565SS**  trans-42.5107.7178.5-130.5171.2-171.600103.7I454 L458I454-E456 PolarHBondContact O-N 2.73Å; E456-L458 WeakPolarHBondContact O-CA 3.29Å; E456-L458 WeakPolarHBondContact O-CD1 3.47Å; E456-L458 PolarHBondContact O-N 3.14Å
457S40.6Very low49.4Very low105 Ų105100 Ų10073%0.73453%0.526SS*.  trans-56.198.1-168.245.20000105T455 S459T455-S457 VanDerWaalsContact C-N 3.32Å; T455-S457 WeakPolarHBondContact O-CA 3.32Å; T455-S457 PolarHBondContact O-N 2.85Å; S457-S459 VanDerWaalsContact C-N 3.35Å; S457-S459 PolarHBondContact O-N 3.32Å
458L50.8Low52.2Low79 Ų7998.8 Ų98.841%0.41452%0.515SS..  trans-55.5107.1-164.4-91.889.4000105.1R412 E456 I460 Y463R412-L458 HydrophobicContact CB-CD2 4.41Å; R412-L458 HydrophobicContact CG-CD2 4.29Å; E456-L458 WeakPolarHBondContact O-CA 3.29Å; E456-L458 WeakPolarHBondContact O-CD1 3.47Å; E456-L458 PolarHBondContact O-N 3.14Å; L458-I460 PolarHBondContact O-N 3.08Å; L458-I460 VanDerWaalsContact O-N 3.07Å; L458-Y463 HydrophobicContact CB-CE2 4.09Å; L458-Y463 HydrophobicContact CD2-CE2 3.59Å; L458-Y463 WeakPolarHBondContact CD2-OH 3.36Å; L458-Y463 HydrophobicContact CG-CE2 4.46Å
459S59.2Low54.7Low42 Ų4295 Ų9529%0.29450%0.495SS..  trans-66.7126.3-173.267.50000104.8S457 E461 S462S457-S459 VanDerWaalsContact C-N 3.35Å; S457-S459 PolarHBondContact O-N 3.32Å; S459-E461 PolarHBondContact O-N 3.38Å; S459-S462 PolarHBondContact O-N 2.87Å; S459-S462 PolarHBondContact OG-N 3.35Å; S459-S462 PolarHBondContact OG-OG 2.85Å
460I68.5Low57.2Low99 Ų9988 Ų8851%0.50846%0.457SS..Hα-helixtrans-51.7-24.9173.6-68161.1000109.4L458 Y463 H464L458-I460 PolarHBondContact O-N 3.08Å; L458-I460 VanDerWaalsContact O-N 3.07Å; I460-Y463 PolarHBondContact O-N 3.47Å; I460-H464 WeakPolarHBondContact CG2-NE2 3.03Å; I460-H464 PolarHBondContact O-CD2 2.86Å; I460-H464 PolarHBondContact O-N 3.44Å; I460-H464 VanDerWaalsContact O-N 3.08Å
461E73.3Confident59.7Low147 Ų14788.2 Ų88.269%0.68745%0.449SS*.Hα-helixtrans-56-43.8169.6-53.3170.6174.400114.4S459 Y463 H464 R465S459-E461 PolarHBondContact O-N 3.38Å; E461-Y463 VanDerWaalsContact C-N 3.29Å; E461-Y463 PolarHBondContact O-N 3.33Å; E461-H464 PolarHBondContact O-N 2.96Å; E461-R465 WeakPolarHBondContact O-CB 3.42Å; E461-R465 PolarHBondContact O-N 3.21Å
462S79.7Confident62Low22 Ų2285.1 Ų85.115%0.15444%0.437CS..Hα-helixtrans-60.9-40.5176.9-70.40000111.3P427 S459 R465 L466P427-S462 WeakPolarHBondContact CG-O 3.31Å; P427-S462 WeakPolarHBondContact O-CB 3.05Å; P427-S462 PolarHBondContact O-OG 2.62Å; S459-S462 PolarHBondContact O-N 2.87Å; S459-S462 PolarHBondContact OG-N 3.35Å; S459-S462 PolarHBondContact OG-OG 2.85Å; S462-R465 PolarHBondContact O-N 3.4Å; S462-L466 PolarHBondContact O-N 3.45Å
463Y80.4Confident64Low2 Ų283.9 Ų83.91%0.00843%0.427CS..Hα-helixtrans-66.9-43.4176.2-69.8-84.2000112.1M408 V411 R412 C415 W426 L458 I460 E461 R465 L466 I467 L489M408-Y463 HydrophobicContact CE-CD1 4.37Å; M408-Y463 HydrophobicContact CE-CD2 3.92Å; M408-Y463 HydrophobicContact CE-CE1 3.76Å; M408-Y463 HydrophobicContact CE-CE2 3.23Å; M408-Y463 HydrophobicContact CE-CG 4.44Å; M408-Y463 WeakPolarHBondContact CE-OH 3.21Å; V411-Y463 HydrophobicContact CG1-CD1 4.48Å; V411-Y463 HydrophobicContact CG1-CE1 3.95Å; R412-Y463 WeakPolarHBondContact CB-OH 3.42Å; R412-Y463 WeakPolarHBondContact CD-OH 3.4Å; C415-Y463 HydrophobicContact CB-CE1 4.36Å; W426-Y463 AromaticContact CH2-CD1 3.66Å; W426-Y463 HydrophobicContact CH2-CD1 3.66Å; W426-Y463 HydrophobicContact CH2-CD2 4.45Å; W426-Y463 AromaticContact CH2-CE1 3.56Å; W426-Y463 HydrophobicContact CH2-CE1 3.56Å; W426-Y463 HydrophobicContact CH2-CE2 4.36Å; W426-Y463 HydrophobicContact CH2-CG 4.11Å; W426-Y463 AromaticContact CH2-CZ 3.94Å; W426-Y463 HydrophobicContact CZ2-CE1 4.33Å; W426-Y463 HydrophobicContact CZ2-CE2 4.42Å; W426-Y463 HydrophobicContact CZ3-CD1 4.48Å; W426-Y463 HydrophobicContact CZ3-CE1 4.5Å; L458-Y463 HydrophobicContact CB-CE2 4.09Å; L458-Y463 HydrophobicContact CD2-CE2 3.59Å; L458-Y463 WeakPolarHBondContact CD2-OH 3.36Å; L458-Y463 HydrophobicContact CG-CE2 4.46Å; I460-Y463 PolarHBondContact O-N 3.47Å; E461-Y463 VanDerWaalsContact C-N 3.29Å; E461-Y463 PolarHBondContact O-N 3.33Å; Y463-R465 VanDerWaalsContact C-N 3.26Å; Y463-R465 PolarHBondContact O-N 2.92Å; Y463-L466 PolarHBondContact O-N 3.24Å; Y463-I467 WeakPolarHBondContact O-CG1 3.49Å; Y463-I467 PolarHBondContact O-N 3.27Å; Y463-L489 HydrophobicContact CD1-CD2 4.42Å; Y463-L489 HydrophobicContact CG-CD2 4.19Å
464H81.4Confident65.7Low68 Ų6883.4 Ų83.432%0.31542%0.424SS..Hα-helixtrans-61.6-36.1175.3-75.8-56.6000112.4I460 E461 I467 E468 Q486I460-H464 WeakPolarHBondContact CG2-NE2 3.03Å; I460-H464 PolarHBondContact O-CD2 2.86Å; I460-H464 PolarHBondContact O-N 3.44Å; I460-H464 VanDerWaalsContact O-N 3.08Å; E461-H464 PolarHBondContact O-N 2.96Å; H464-I467 WeakPolarHBondContact O-CB 3.38Å; H464-I467 PolarHBondContact O-N 3.26Å; H464-E468 PolarHBondContact O-N 3.46Å; H464-Q486 PolarHBondContact CE1-OE1 3.5Å; H464-Q486 PolarHBondContact ND1-OE1 3.3Å
465R79.9Confident67.7Low155 Ų15582 Ų8259%0.58542%0.417SS*.Hα-helixtrans-70.3-36.3176.2-170.1164.8-176.5-175.56.5112.6P427 E461 S462 Y463 I467 E468 L469P427-R465 HydrophobicContact CB-CB 3.88Å; P427-R465 HydrophobicContact CB-CG 3.76Å; P427-R465 HydrophobicContact CG-CB 3.86Å; P427-R465 HydrophobicContact CG-CG 4.14Å; E461-R465 WeakPolarHBondContact O-CB 3.42Å; E461-R465 PolarHBondContact O-N 3.21Å; S462-R465 PolarHBondContact O-N 3.4Å; Y463-R465 VanDerWaalsContact C-N 3.26Å; Y463-R465 PolarHBondContact O-N 2.92Å; R465-I467 VanDerWaalsContact C-N 3.34Å; R465-E468 PolarHBondContact O-N 3.24Å; R465-L469 HydrophobicContact CG-CD1 4.47Å; R465-L469 VanDerWaalsContact O-CG 3.28Å; R465-L469 WeakPolarHBondContact O-CG 3.3Å; R465-L469 PolarHBondContact O-N 3.14Å
466L80.3Confident69.2Low1 Ų181.4 Ų81.41%0.00542%0.415CS..Hα-helixtrans-62.6-43.5170.3177.664.1000111C415 I424 W426 P427 S462 Y463 E468 L469 L470 I485C415-L466 HydrophobicContact CB-CD2 3.85Å; I424-L466 HydrophobicContact CB-CD1 4.35Å; I424-L466 HydrophobicContact CG2-CD1 3.93Å; W426-L466 HydrophobicContact CE3-CD2 4.1Å; W426-L466 HydrophobicContact CZ3-CB 4.19Å; W426-L466 HydrophobicContact CZ3-CD2 3.59Å; W426-L466 HydrophobicContact CZ3-CG 4.44Å; P427-L466 HydrophobicContact CG-CB 4.49Å; S462-L466 PolarHBondContact O-N 3.45Å; Y463-L466 PolarHBondContact O-N 3.24Å; L466-E468 VanDerWaalsContact C-N 3.28Å; L466-E468 PolarHBondContact O-N 2.84Å; L466-L469 PolarHBondContact O-N 3.02Å; L466-L470 HydrophobicContact CD1-CD1 4.27Å; L466-L470 HydrophobicContact CD1-CG 4.26Å; L466-L470 HydrophobicContact CD2-CD1 4.48Å; L466-L470 HydrophobicContact CG-CD1 3.95Å; L466-L470 HydrophobicContact CG-CG 4.41Å; L466-L470 WeakPolarHBondContact O-CB 3.3Å; L466-L470 WeakPolarHBondContact O-CG 3.42Å; L466-L470 PolarHBondContact O-N 3.08Å; L466-I485 HydrophobicContact CD2-CD1 4.46Å
467I81.2Confident70.9Confident6 Ų678.1 Ų78.13%0.03140%0.403CS..Hα-helixtrans-58.6-42.4176.4-69.8168.3000110.7Y463 H464 R465 L470 K471 I485 Q486 L489Y463-I467 WeakPolarHBondContact O-CG1 3.49Å; Y463-I467 PolarHBondContact O-N 3.27Å; H464-I467 WeakPolarHBondContact O-CB 3.38Å; H464-I467 PolarHBondContact O-N 3.26Å; R465-I467 VanDerWaalsContact C-N 3.34Å; I467-L470 PolarHBondContact O-N 2.98Å; I467-K471 HydrophobicContact CG2-CD 4.37Å; I467-K471 WeakPolarHBondContact O-CG 3.45Å; I467-K471 PolarHBondContact O-N 2.89Å; I467-K471 VanDerWaalsContact O-N 3.08Å; I467-I485 HydrophobicContact CD1-CB 4.3Å; I467-I485 HydrophobicContact CD1-CG2 3.86Å; I467-I485 HydrophobicContact CG1-CB 4.19Å; I467-I485 HydrophobicContact CG1-CG2 3.95Å; I467-Q486 HydrophobicContact CD1-CB 4.29Å; I467-L489 HydrophobicContact CD1-CD1 3.84Å
468E79.4Confident72.5Confident114 Ų11473.1 Ų73.153%0.53337%0.368SS..Hα-helixtrans-64.8-47177.2-166.6177-157.700111.5H464 R465 L466 L470 K471 H472H464-E468 PolarHBondContact O-N 3.46Å; R465-E468 PolarHBondContact O-N 3.24Å; L466-E468 VanDerWaalsContact C-N 3.28Å; L466-E468 PolarHBondContact O-N 2.84Å; E468-L470 VanDerWaalsContact C-N 3.32Å; E468-L470 PolarHBondContact O-N 3.05Å; E468-K471 PolarHBondContact O-N 3.24Å; E468-K471 VanDerWaalsContact O-N 3.12Å; E468-H472 PolarHBondContact O-CD2 3.37Å; E468-H472 PolarHBondContact O-N 3.04Å
469L76.9Confident73.9Confident62 Ų6273 Ų7333%0.32537%0.371SS..Hα-helixtrans-60.2-40.5176.5-70.1169.4000112.3I424 R465 L466 K471 H472 T473I424-L469 HydrophobicContact CD1-CB 4.35Å; I424-L469 HydrophobicContact CG2-CB 3.75Å; I424-L469 HydrophobicContact CG2-CD1 3.59Å; I424-L469 HydrophobicContact CG2-CG 4.24Å; R465-L469 HydrophobicContact CG-CD1 4.47Å; R465-L469 VanDerWaalsContact O-CG 3.28Å; R465-L469 WeakPolarHBondContact O-CG 3.3Å; R465-L469 PolarHBondContact O-N 3.14Å; L466-L469 PolarHBondContact O-N 3.02Å; L469-K471 VanDerWaalsContact C-N 3.34Å; L469-K471 PolarHBondContact O-N 2.96Å; L469-H472 PolarHBondContact O-N 3.35Å; L469-T473 PolarHBondContact O-N 2.99Å
470L74.5Confident75Confident0 Ų073.3 Ų73.30%037%0.373CS..Hα-helixtrans-64.7-36.4175.3-75.6166.4000112.4I418 F422 I424 L466 I467 E468 H472 T473 A478 I481 I485I418-L470 HydrophobicContact CG2-CD1 3.87Å; I418-L470 HydrophobicContact CG2-CD2 3.91Å; I418-L470 HydrophobicContact CG2-CG 4.49Å; F422-L470 HydrophobicContact CB-CD2 4.18Å; F422-L470 HydrophobicContact CD1-CD2 4.3Å; F422-L470 HydrophobicContact CD2-CD2 3.76Å; F422-L470 HydrophobicContact CE2-CD2 4.29Å; F422-L470 HydrophobicContact CG-CD2 3.79Å; I424-L470 HydrophobicContact CD1-CD2 3.47Å; I424-L470 VanDerWaalsContact CD1-CD2 3.47Å; I424-L470 HydrophobicContact CD1-CG 3.83Å; L466-L470 HydrophobicContact CD1-CD1 4.27Å; L466-L470 HydrophobicContact CD1-CG 4.26Å; L466-L470 HydrophobicContact CD2-CD1 4.48Å; L466-L470 HydrophobicContact CG-CD1 3.95Å; L466-L470 HydrophobicContact CG-CG 4.41Å; L466-L470 WeakPolarHBondContact O-CB 3.3Å; L466-L470 WeakPolarHBondContact O-CG 3.42Å; L466-L470 PolarHBondContact O-N 3.08Å; I467-L470 PolarHBondContact O-N 2.98Å; E468-L470 VanDerWaalsContact C-N 3.32Å; E468-L470 PolarHBondContact O-N 3.05Å; L470-H472 PolarHBondContact O-N 3.18Å; L470-T473 PolarHBondContact O-N 3.06Å; L470-T473 PolarHBondContact O-OG1 3.33Å; L470-A478 HydrophobicContact CB-CB 4.45Å; L470-A478 HydrophobicContact CD2-CB 4.28Å; L470-A478 VanDerWaalsContact O-CB 3.29Å; L470-A478 WeakPolarHBondContact O-CB 2.9Å; L470-I481 HydrophobicContact CD1-CG2 4.13Å; L470-I485 HydrophobicContact CD1-CD1 3.75Å
471K76.5Confident75.7Confident119 Ų11968.9 Ų68.952%0.51735%0.35SS..Hα-helixtrans-67.3-27175.4-73172.4-178.9179.10112.3I467 E468 L469I467-K471 HydrophobicContact CG2-CD 4.37Å; I467-K471 WeakPolarHBondContact O-CG 3.45Å; I467-K471 PolarHBondContact O-N 2.89Å; I467-K471 VanDerWaalsContact O-N 3.08Å; E468-K471 PolarHBondContact O-N 3.24Å; E468-K471 VanDerWaalsContact O-N 3.12Å; L469-K471 VanDerWaalsContact C-N 3.34Å; L469-K471 PolarHBondContact O-N 2.96Å
472H71.1Confident76.2Confident132 Ų13262 Ų6261%0.61132%0.318SS*.Hα-helixtrans-79.1-14.8177.9-75-64.4000114.6E468 L469 L470 N474E468-H472 PolarHBondContact O-CD2 3.37Å; E468-H472 PolarHBondContact O-N 3.04Å; L469-H472 PolarHBondContact O-N 3.35Å; L470-H472 PolarHBondContact O-N 3.18Å; H472-N474 PolarHBondContact O-N 2.9Å
473T67.4Low76.6Confident48 Ų4863.8 Ų63.829%0.29433%0.33SS..THydrogen-bonded Turntrans-75-3.6-17858.50000114.2I424 L469 L470 L475 A478I424-T473 HydrophobicContact CD1-CG2 3.93Å; I424-T473 HydrophobicContact CG1-CG2 4.43Å; L469-T473 PolarHBondContact O-N 2.99Å; L470-T473 PolarHBondContact O-N 3.06Å; L470-T473 PolarHBondContact O-OG1 3.33Å; T473-L475 PolarHBondContact O-N 3.11Å; T473-A478 WeakPolarHBondContact OG1-CB 3.38Å
474N61.3Low76.9Confident152 Ų15263.7 Ų63.781%0.81333%0.33SS*.  trans55.113.5179.6-75.3-11.4000115.7H472H472-N474 PolarHBondContact O-N 2.9Å
475L69.1Low77.2Confident86 Ų8660.5 Ų60.545%0.4532%0.315SS..  trans-89.7135.8175.9-72.7162.2000110.4F422 T473 D477 A478 V479F422-L475 HydrophobicContact CD1-CD1 4.08Å; F422-L475 HydrophobicContact CE1-CD1 4.02Å; T473-L475 PolarHBondContact O-N 3.11Å; L475-D477 VanDerWaalsContact C-N 3.27Å; L475-D477 PolarHBondContact O-N 2.99Å; L475-A478 HydrophobicContact CB-CB 4.06Å; L475-A478 WeakPolarHBondContact O-CB 3.11Å; L475-A478 PolarHBondContact O-N 3.34Å; L475-A478 VanDerWaalsContact O-N 3.1Å; L475-V479 PolarHBondContact O-N 3.12Å
476P63.9Low77.5Confident98 Ų9855.4 Ų55.464%0.63630%0.298SS*.Hα-helixtrans-61.4-36.9-179.524.8-33.1000112.1A478 V479 S480P476-A478 VanDerWaalsContact C-N 3.3Å; P476-A478 PolarHBondContact O-N 2.83Å; P476-V479 PolarHBondContact O-N 3.34Å; P476-S480 PolarHBondContact O-N 2.94Å
477D73.5Confident77.9Confident103 Ų10360 Ų6055%0.55132%0.32SS*.Hα-helixtrans-65.8-33.3177.3-60-24.9000111.8L475 V479 S480 I481L475-D477 VanDerWaalsContact C-N 3.27Å; L475-D477 PolarHBondContact O-N 2.99Å; D477-V479 VanDerWaalsContact C-N 3.34Å; D477-V479 PolarHBondContact O-N 3.26Å; D477-S480 PolarHBondContact O-N 3.03Å; D477-S480 PolarHBondContact O-OG 3.22Å; D477-I481 WeakPolarHBondContact O-CB 3.27Å; D477-I481 WeakPolarHBondContact O-CD1 3.38Å; D477-I481 WeakPolarHBondContact O-CG1 3.42Å; D477-I481 PolarHBondContact O-N 3.01Å
478A75.1Confident78.2Confident0 Ų059.7 Ų59.70%032%0.318CS..Hα-helixtrans-68.6-34.5178.400000112F422 L470 T473 L475 P476 S482F422-A478 HydrophobicContact CD1-CB 4.28Å; F422-A478 HydrophobicContact CE1-CB 3.79Å; F422-A478 HydrophobicContact CZ-CB 4.28Å; L470-A478 HydrophobicContact CB-CB 4.45Å; L470-A478 HydrophobicContact CD2-CB 4.28Å; L470-A478 VanDerWaalsContact O-CB 3.29Å; L470-A478 WeakPolarHBondContact O-CB 2.9Å; T473-A478 WeakPolarHBondContact OG1-CB 3.38Å; L475-A478 HydrophobicContact CB-CB 4.06Å; L475-A478 WeakPolarHBondContact O-CB 3.11Å; L475-A478 PolarHBondContact O-N 3.34Å; L475-A478 VanDerWaalsContact O-N 3.1Å; P476-A478 VanDerWaalsContact C-N 3.3Å; P476-A478 PolarHBondContact O-N 2.83Å; A478-S482 VanDerWaalsContact O-CB 3.29Å; A478-S482 WeakPolarHBondContact O-CB 3.33Å; A478-S482 PolarHBondContact O-N 3.38Å
479V78.4Confident78.5Confident78 Ų7854.7 Ų54.747%0.47330%0.295SS..Hα-helixtrans-67.8-46176.7179.90000110.8L475 P476 D477 I481 S482 S483L475-V479 PolarHBondContact O-N 3.12Å; P476-V479 PolarHBondContact O-N 3.34Å; D477-V479 VanDerWaalsContact C-N 3.34Å; D477-V479 PolarHBondContact O-N 3.26Å; V479-I481 PolarHBondContact O-N 2.73Å; V479-S482 PolarHBondContact O-N 3.36Å; V479-S482 PolarHBondContact O-OG 3.17Å; V479-S483 PolarHBondContact O-N 3.39Å
480S82.9Confident79Confident48 Ų4854.8 Ų54.834%0.33630%0.296SS..Hα-helixtrans-62.4-43.5177.767.80000111.2P476 D477 S482 S483 A484P476-S480 PolarHBondContact O-N 2.94Å; D477-S480 PolarHBondContact O-N 3.03Å; D477-S480 PolarHBondContact O-OG 3.22Å; S480-S482 PolarHBondContact O-N 3.49Å; S480-S483 PolarHBondContact O-N 3.23Å; S480-S483 PolarHBondContact O-OG 2.97Å; S480-A484 PolarHBondContact O-N 2.93Å
481I84Confident79.4Confident6 Ų655.2 Ų55.23%0.03130%0.299CS..Hα-helixtrans-60.3-46.6174.3-69.7165.9000111.2I418 F422 L470 D477 V479 S483 A484 I485 I516 L517I418-I481 HydrophobicContact CD1-CG2 3.67Å; I418-I481 HydrophobicContact CG1-CG2 4.13Å; I418-I481 HydrophobicContact CG2-CG2 3.91Å; F422-I481 HydrophobicContact CE2-CD1 3.37Å; F422-I481 HydrophobicContact CZ-CD1 3.46Å; F422-I481 VanDerWaalsContact CZ-CD1 3.46Å; L470-I481 HydrophobicContact CD1-CG2 4.13Å; D477-I481 WeakPolarHBondContact O-CB 3.27Å; D477-I481 WeakPolarHBondContact O-CD1 3.38Å; D477-I481 WeakPolarHBondContact O-CG1 3.42Å; D477-I481 PolarHBondContact O-N 3.01Å; V479-I481 PolarHBondContact O-N 2.73Å; I481-S483 PolarHBondContact O-N 3.15Å; I481-A484 PolarHBondContact O-N 3.22Å; I481-A484 VanDerWaalsContact O-N 3.11Å; I481-I485 HydrophobicContact CG2-CD1 3.86Å; I481-I485 HydrophobicContact CG2-CG1 4.24Å; I481-I485 WeakPolarHBondContact O-CG1 3.23Å; I481-I485 PolarHBondContact O-N 3.48Å; I481-I516 HydrophobicContact CB-CG2 4.44Å; I481-I516 HydrophobicContact CD1-CG2 4.26Å; I481-I516 HydrophobicContact CG1-CG2 3.33Å; I481-L517 HydrophobicContact CD1-CD2 4.37Å
482S84Confident79.6Confident2 Ų250.5 Ų50.51%0.01428%0.279CS..Hα-helixtrans-58.4-38.9179.182.20000112A478 V479 S480 Q486A478-S482 VanDerWaalsContact O-CB 3.29Å; A478-S482 WeakPolarHBondContact O-CB 3.33Å; A478-S482 PolarHBondContact O-N 3.38Å; V479-S482 PolarHBondContact O-N 3.36Å; V479-S482 PolarHBondContact O-OG 3.17Å; S480-S482 PolarHBondContact O-N 3.49Å; S482-Q486 PolarHBondContact O-N 2.83Å; S482-Q486 VanDerWaalsContact O-N 3.13Å
483S86.2Confident80Confident59 Ų5949 Ų4941%0.41327%0.27SS..Hα-helixtrans-69.4-38.2177.477.70000112.2V479 S480 I481 Q486 Q487V479-S483 PolarHBondContact O-N 3.39Å; S480-S483 PolarHBondContact O-N 3.23Å; S480-S483 PolarHBondContact O-OG 2.97Å; I481-S483 PolarHBondContact O-N 3.15Å; S483-Q486 PolarHBondContact O-N 3.49Å; S483-Q487 WeakPolarHBondContact O-CG 3.2Å; S483-Q487 PolarHBondContact O-N 3.1Å
484A87.4Confident80.2Confident1 Ų151.3 Ų51.31%0.00828%0.284CS..Hα-helixtrans-72.9-38.1178.900000112.7S480 I481 Q486 Q487 V488 L512 I516S480-A484 PolarHBondContact O-N 2.93Å; I481-A484 PolarHBondContact O-N 3.22Å; I481-A484 VanDerWaalsContact O-N 3.11Å; A484-Q486 VanDerWaalsContact C-N 3.28Å; A484-Q486 PolarHBondContact O-N 3.48Å; A484-Q487 PolarHBondContact O-N 3.49Å; A484-V488 WeakPolarHBondContact O-CG2 3.35Å; A484-V488 PolarHBondContact O-N 2.87Å; A484-L512 HydrophobicContact CB-CB 4.36Å; A484-L512 HydrophobicContact CB-CD1 3.82Å; A484-I516 HydrophobicContact CB-CD1 3.2Å
485I87.3Confident80.4Confident0 Ų044.4 Ų44.40%025%0.249CC..Hα-helixtrans-59.2-45170.3-61.9168.4000109.4I418 L466 I467 L470 I481 Q487 V488 L489 L512I418-I485 HydrophobicContact CD1-CD1 3.98Å; I418-I485 HydrophobicContact CD1-CG1 4.24Å; L466-I485 HydrophobicContact CD2-CD1 4.46Å; I467-I485 HydrophobicContact CD1-CB 4.3Å; I467-I485 HydrophobicContact CD1-CG2 3.86Å; I467-I485 HydrophobicContact CG1-CB 4.19Å; I467-I485 HydrophobicContact CG1-CG2 3.95Å; L470-I485 HydrophobicContact CD1-CD1 3.75Å; I481-I485 HydrophobicContact CG2-CD1 3.86Å; I481-I485 HydrophobicContact CG2-CG1 4.24Å; I481-I485 WeakPolarHBondContact O-CG1 3.23Å; I481-I485 PolarHBondContact O-N 3.48Å; I485-Q487 PolarHBondContact O-N 3.25Å; I485-V488 PolarHBondContact O-N 2.88Å; I485-L489 HydrophobicContact CG2-CD1 4.11Å; I485-L489 HydrophobicContact CG2-CG 4.41Å; I485-L489 WeakPolarHBondContact O-CG 2.94Å; I485-L489 PolarHBondContact O-N 3.18Å; I485-L512 HydrophobicContact CG1-CD1 4.28Å; I485-L512 HydrophobicContact CG1-CD2 4.24Å
486Q87.9Confident80.4Confident48 Ų4844.3 Ų44.322%0.22425%0.246CC..Hα-helixtrans-60.9-43.2177.9-170.458.159.300111.9H464 I467 S482 S483 A484 V488 L489 D490H464-Q486 PolarHBondContact CE1-OE1 3.5Å; H464-Q486 PolarHBondContact ND1-OE1 3.3Å; I467-Q486 HydrophobicContact CD1-CB 4.29Å; S482-Q486 PolarHBondContact O-N 2.83Å; S482-Q486 VanDerWaalsContact O-N 3.13Å; S483-Q486 PolarHBondContact O-N 3.49Å; A484-Q486 VanDerWaalsContact C-N 3.28Å; A484-Q486 PolarHBondContact O-N 3.48Å; Q486-V488 VanDerWaalsContact C-N 3.32Å; Q486-V488 PolarHBondContact O-N 3.26Å; Q486-L489 PolarHBondContact O-N 2.89Å; Q486-D490 PolarHBondContact NE2-OD1 3.06Å; Q486-D490 PolarHBondContact NE2-OD2 3.02Å; Q486-D490 WeakPolarHBondContact O-CB 3.49Å; Q486-D490 PolarHBondContact O-N 3.28Å
487Q88.1Confident80.6Confident97 Ų9745.9 Ų45.945%0.45325%0.249SC..Hα-helixtrans-59.6-39.6174.8-73.9175.24.800113S483 A484 I485 D490 S491S483-Q487 WeakPolarHBondContact O-CG 3.2Å; S483-Q487 PolarHBondContact O-N 3.1Å; A484-Q487 PolarHBondContact O-N 3.49Å; I485-Q487 PolarHBondContact O-N 3.25Å; Q487-D490 PolarHBondContact O-N 2.91Å; Q487-S491 PolarHBondContact O-N 3.34Å
488V87.4Confident80.3Confident0 Ų047.6 Ų47.60%026%0.258CS..Hα-helixtrans-66.6-42.4175.5175.30000110.9V411 A484 I485 Q486 D490 S491 F492 F505 P508 I509 L512V411-V488 HydrophobicContact CG1-CG1 4.22Å; V411-V488 HydrophobicContact CG2-CG1 3.46Å; V411-V488 VanDerWaalsContact CG2-CG1 3.46Å; A484-V488 WeakPolarHBondContact O-CG2 3.35Å; A484-V488 PolarHBondContact O-N 2.87Å; I485-V488 PolarHBondContact O-N 2.88Å; Q486-V488 VanDerWaalsContact C-N 3.32Å; Q486-V488 PolarHBondContact O-N 3.26Å; V488-D490 VanDerWaalsContact C-N 3.31Å; V488-D490 PolarHBondContact O-N 3.48Å; V488-S491 PolarHBondContact O-N 2.83Å; V488-S491 PolarHBondContact O-OG 3.2Å; V488-F492 HydrophobicContact CG1-CD2 4.38Å; V488-F492 HydrophobicContact CG1-CE2 4.44Å; V488-F492 WeakPolarHBondContact O-CD2 3.38Å; V488-F492 PolarHBondContact O-N 2.81Å; V488-F505 HydrophobicContact CG1-CE2 4.11Å; V488-P508 HydrophobicContact CB-CB 4.37Å; V488-P508 HydrophobicContact CG2-CB 3.61Å; V488-I509 HydrophobicContact CG1-CG1 4.29Å; V488-L512 HydrophobicContact CG2-CB 4.3Å; V488-L512 HydrophobicContact CG2-CD2 4.08Å
489L86.5Confident80.2Confident9 Ų948.1 Ų48.15%0.04726%0.261CS..Hα-helixtrans-66.4-33.8176.6-66.6172000112.4M408 Y463 I467 I485 Q486 F492 K493M408-L489 HydrophobicContact CE-CD2 4Å; Y463-L489 HydrophobicContact CD1-CD2 4.42Å; Y463-L489 HydrophobicContact CG-CD2 4.19Å; I467-L489 HydrophobicContact CD1-CD1 3.84Å; I485-L489 HydrophobicContact CG2-CD1 4.11Å; I485-L489 HydrophobicContact CG2-CG 4.41Å; I485-L489 WeakPolarHBondContact O-CG 2.94Å; I485-L489 PolarHBondContact O-N 3.18Å; Q486-L489 PolarHBondContact O-N 2.89Å; L489-F492 VanDerWaalsContact O-CB 3.29Å; L489-F492 WeakPolarHBondContact O-CB 2.92Å; L489-F492 PolarHBondContact O-N 3.28Å; L489-K493 PolarHBondContact O-N 3.41Å
490D85.5Confident79.9Confident64 Ų6450.1 Ų50.134%0.34227%0.273SS..Hα-helixtrans-72.7-36.4177.2-66.5-25000111.3Q486 Q487 V488 F492 K493 V494Q486-D490 PolarHBondContact NE2-OD1 3.06Å; Q486-D490 PolarHBondContact NE2-OD2 3.02Å; Q486-D490 WeakPolarHBondContact O-CB 3.49Å; Q486-D490 PolarHBondContact O-N 3.28Å; Q487-D490 PolarHBondContact O-N 2.91Å; V488-D490 VanDerWaalsContact C-N 3.31Å; V488-D490 PolarHBondContact O-N 3.48Å; D490-F492 PolarHBondContact O-N 3Å; D490-K493 PolarHBondContact O-N 2.97Å; D490-K493 IonicContact OD1-NZ 3.65Å; D490-V494 WeakPolarHBondContact O-CG2 3.39Å; D490-V494 PolarHBondContact O-N 3.49Å
491S83Confident79.7Confident10 Ų1049.3 Ų49.37%0.0727%0.268CS..Hα-helixtrans-64-30.8172.773.60000112.5Q487 V488 G495 T504Q487-S491 PolarHBondContact O-N 3.34Å; V488-S491 PolarHBondContact O-N 2.83Å; V488-S491 PolarHBondContact O-OG 3.2Å; S491-G495 PolarHBondContact O-N 3.12Å; S491-T504 WeakPolarHBondContact CB-O 3.36Å
492F81.2Confident79.7Confident19 Ų1949.1 Ų49.18%0.08327%0.267CS..Hα-helixtrans-64-35.8169.1-99.6-80.4000114.1L403 M408 V411 V488 L489 D490 Q496 F505L403-F492 HydrophobicContact CB-CE1 4.49Å; L403-F492 HydrophobicContact CD1-CD1 3.96Å; L403-F492 HydrophobicContact CD1-CE1 3.46Å; L403-F492 VanDerWaalsContact CD1-CE1 3.46Å; L403-F492 HydrophobicContact CD1-CE2 4.36Å; L403-F492 HydrophobicContact CD1-CZ 3.63Å; L403-F492 HydrophobicContact CD2-CD1 3.99Å; L403-F492 HydrophobicContact CD2-CE1 4.21Å; L403-F492 HydrophobicContact CG-CD1 3.69Å; L403-F492 HydrophobicContact CG-CE1 3.39Å; L403-F492 HydrophobicContact CG-CZ 4.1Å; L403-F492 VanDerWaalsContact O-CE1 3.3Å; L403-F492 WeakPolarHBondContact O-CE1 3.44Å; M408-F492 HydrophobicContact CB-CE1 4.24Å; M408-F492 HydrophobicContact CB-CZ 4.06Å; M408-F492 HydrophobicContact SD-CD1 4.33Å; M408-F492 HydrophobicContact SD-CD2 4.23Å; M408-F492 HydrophobicContact SD-CE1 3.94Å; M408-F492 HydrophobicContact SD-CE2 3.83Å; M408-F492 HydrophobicContact SD-CG 4.47Å; M408-F492 HydrophobicContact SD-CZ 3.73Å; V411-F492 HydrophobicContact CG2-CE2 3.64Å; V411-F492 HydrophobicContact CG2-CZ 4.45Å; V488-F492 HydrophobicContact CG1-CD2 4.38Å; V488-F492 HydrophobicContact CG1-CE2 4.44Å; V488-F492 WeakPolarHBondContact O-CD2 3.38Å; V488-F492 PolarHBondContact O-N 2.81Å; L489-F492 VanDerWaalsContact O-CB 3.29Å; L489-F492 WeakPolarHBondContact O-CB 2.92Å; L489-F492 PolarHBondContact O-N 3.28Å; D490-F492 PolarHBondContact O-N 3Å; F492-Q496 PolarHBondContact O-NE2 3.36Å; F492-F505 HydrophobicContact CD2-CD2 4.2Å; F492-F505 AromaticContact CD2-CE2 3.62Å; F492-F505 HydrophobicContact CD2-CE2 3.62Å; F492-F505 HydrophobicContact CD2-CZ 4.44Å; F492-F505 AromaticContact CE2-CD2 3.99Å; F492-F505 HydrophobicContact CE2-CD2 3.99Å; F492-F505 AromaticContact CE2-CE2 3.05Å; F492-F505 HydrophobicContact CE2-CE2 3.05Å; F492-F505 AromaticContact CE2-CZ 3.48Å; F492-F505 HydrophobicContact CE2-CZ 3.48Å; F492-F505 VanDerWaalsContact CE2-CZ 3.48Å; F492-F505 HydrophobicContact CZ-CD2 4.48Å; F492-F505 AromaticContact CZ-CE2 3.62Å; F492-F505 HydrophobicContact CZ-CE2 3.62Å; F492-F505 AromaticContact CZ-CZ 3.63Å; F492-F505 HydrophobicContact CZ-CZ 3.63Å
493K79.5Confident79.7Confident100 Ų10053.7 Ų53.744%0.43529%0.291SS..Hα-helixtrans-75-45.7178.1-69.1173.9-175.2168.40110.9L489 D490 G495 Q496L489-K493 PolarHBondContact O-N 3.41Å; D490-K493 PolarHBondContact O-N 2.97Å; D490-K493 IonicContact OD1-NZ 3.65Å; K493-G495 VanDerWaalsContact C-N 3.32Å; K493-G495 PolarHBondContact O-N 3.08Å; K493-Q496 PolarHBondContact O-N 2.6Å
494V72.9Confident79.6Confident98 Ų9854.8 Ų54.859%0.59430%0.295SS*.Hα-helixtrans-62.7-42.1177.6176.20000110.6D490 Q496 N497D490-V494 WeakPolarHBondContact O-CG2 3.39Å; D490-V494 PolarHBondContact O-N 3.49Å; V494-Q496 PolarHBondContact O-N 2.93Å; V494-N497 PolarHBondContact O-N 3.48Å
495G63.8Low79.5Confident6 Ų655 Ų556%0.06230%0.296CS..THydrogen-bonded Turntrans-65.6-4178.600000115.1S491 K493 N497 L499S491-G495 PolarHBondContact O-N 3.12Å; K493-G495 VanDerWaalsContact C-N 3.32Å; K493-G495 PolarHBondContact O-N 3.08Å; G495-N497 VanDerWaalsContact C-N 3.29Å; G495-L499 WeakPolarHBondContact O-CD1 3.38Å; G495-L499 WeakPolarHBondContact O-CD2 3.49Å; G495-L499 WeakPolarHBondContact O-CG 3.37Å
496Q70.7Confident79.6Confident84 Ų8455.9 Ų55.939%0.39330%0.3SS..THydrogen-bonded Turntrans-80.9-11.5175.2-75.8176.870.300113.4F492 K493 V494F492-Q496 PolarHBondContact O-NE2 3.36Å; K493-Q496 PolarHBondContact O-N 2.6Å; V494-Q496 PolarHBondContact O-N 2.93Å
497N68.1Low79.6Confident132 Ų13258.3 Ų58.371%0.70632%0.318SS*.SBendtrans-107107.9-178.2-61.9-21000110.7V494 G495V494-N497 PolarHBondContact O-N 3.48Å; G495-N497 VanDerWaalsContact C-N 3.29Å
498N67.5Low79.6Confident138 Ų13854.8 Ų54.874%0.73830%0.303SS*.  trans50.766172.4-66.3-15.1000115.9T500N498-T500 PolarHBondContact O-N 2.72Å
499L72.5Confident79.8Confident12 Ų1254.8 Ų54.86%0.06330%0.304CS..  trans-73.2119.4176.3-77.7164000113.1N396 L399 I400 L403 G495 S501 L502N396-L499 PolarHBondContact OD1-O 3.16Å; L399-L499 HydrophobicContact CB-CB 4.11Å; L399-L499 HydrophobicContact CB-CD1 3.98Å; L399-L499 HydrophobicContact CD1-CB 4.03Å; L399-L499 WeakPolarHBondContact CD1-O 2.92Å; I400-L499 HydrophobicContact CG1-CD1 3.94Å; L403-L499 HydrophobicContact CD2-CD1 4.4Å; G495-L499 WeakPolarHBondContact O-CD1 3.38Å; G495-L499 WeakPolarHBondContact O-CD2 3.49Å; G495-L499 WeakPolarHBondContact O-CG 3.37Å; L499-S501 WeakPolarHBondContact CD2-O 3.3Å; L499-L502 HydrophobicContact CD1-CD2 4.19Å; L499-L502 HydrophobicContact CD2-CD2 4.21Å
500T71.8Confident79.9Confident119 Ų11958.6 Ų58.673%0.7332%0.32SS*.SBendtrans-94.4-32.2163.952.40000112.5N498N498-T500 PolarHBondContact O-N 2.72Å
501S79.1Confident80.1Confident32 Ų3257.9 Ų57.922%0.22432%0.316CS..  trans-148.1164.2174.974.60000111.7L499 D503L499-S501 WeakPolarHBondContact CD2-O 3.3Å; S501-D503 VanDerWaalsContact C-N 3.34Å; S501-D503 WeakPolarHBondContact CB-OD2 3.21Å; S501-D503 PolarHBondContact OG-OD2 3.32Å
502L83.8Confident80.4Confident1 Ų157.4 Ų57.41%0.00531%0.312CS..SBendtrans-92.315.3175.3-61.5-179.6000113.1L379 E383 L399 L402 L403 L499 T504 F505 Y506L379-L502 HydrophobicContact CD1-CD1 3.96Å; L379-L502 HydrophobicContact CG-CD1 4.23Å; E383-L502 HydrophobicContact CB-CD1 4.26Å; E383-L502 HydrophobicContact CG-CD1 4.25Å; E383-L502 HydrophobicContact CG-CG 4.31Å; E383-L502 WeakPolarHBondContact OE1-CB 3.46Å; E383-L502 PolarHBondContact OE1-N 3.04Å; L399-L502 HydrophobicContact CD2-CG 4.45Å; L402-L502 HydrophobicContact CD2-CD1 3.85Å; L402-L502 HydrophobicContact CG-CD1 4.41Å; L403-L502 HydrophobicContact CB-CD2 4.33Å; L403-L502 HydrophobicContact CD1-CD2 4.5Å; L499-L502 HydrophobicContact CD1-CD2 4.19Å; L499-L502 HydrophobicContact CD2-CD2 4.21Å; L502-T504 VanDerWaalsContact C-N 3.28Å; L502-T504 PolarHBondContact O-N 3.31Å; L502-F505 WeakPolarHBondContact O-CA 3.41Å; L502-F505 VanDerWaalsContact O-CB 3.3Å; L502-F505 WeakPolarHBondContact O-CB 3.06Å; L502-F505 PolarHBondContact O-N 3.4Å; L502-Y506 HydrophobicContact CB-CD2 4.26Å; L502-Y506 HydrophobicContact CB-CE2 3.69Å; L502-Y506 WeakPolarHBondContact O-CD2 3.45Å; L502-Y506 PolarHBondContact O-N 2.91Å
503D84.1Confident80.8Confident98 Ų9856.5 Ų56.552%0.52431%0.308SS..Hα-helixtrans-59.6-37.5-178.9-67.6-45.9000113.1S501 F505 Y506 T507S501-D503 VanDerWaalsContact C-N 3.34Å; S501-D503 WeakPolarHBondContact CB-OD2 3.21Å; S501-D503 PolarHBondContact OG-OD2 3.32Å; D503-F505 PolarHBondContact O-N 3.49Å; D503-Y506 PolarHBondContact O-N 3.3Å; D503-T507 PolarHBondContact O-N 3.05Å; D503-T507 PolarHBondContact O-OG1 3.38Å; D503-T507 VanDerWaalsContact O-OG1 3.12Å
504T83.5Confident81.1Confident82 Ų8253.5 Ų53.550%0.50330%0.298SS..Hα-helixtrans-60.8-23.2174.4-47.50000112.2S491 L502 P508S491-T504 WeakPolarHBondContact CB-O 3.36Å; L502-T504 VanDerWaalsContact C-N 3.28Å; L502-T504 PolarHBondContact O-N 3.31Å; T504-P508 WeakPolarHBondContact O-CD 3.28Å; T504-P508 WeakPolarHBondContact O-CG 3.43Å
505F85.8Confident81.7Confident5 Ų553.9 Ų53.92%0.02230%0.297CS..Hα-helixtrans-93.1-40.2178.5179.1-116.3000113.1L379 L403 V411 V488 F492 L502 D503 T507 P508 I509L379-F505 HydrophobicContact CD2-CD1 3.97Å; L379-F505 HydrophobicContact CD2-CE1 3.64Å; L403-F505 HydrophobicContact CD1-CB 4.31Å; L403-F505 HydrophobicContact CD1-CD1 3.72Å; L403-F505 HydrophobicContact CD1-CD2 3.82Å; L403-F505 HydrophobicContact CD1-CE1 3.82Å; L403-F505 HydrophobicContact CD1-CE2 3.99Å; L403-F505 HydrophobicContact CD1-CG 3.66Å; L403-F505 HydrophobicContact CD1-CZ 3.91Å; V411-F505 HydrophobicContact CG2-CE2 4.37Å; V411-F505 HydrophobicContact CG2-CZ 4.32Å; V488-F505 HydrophobicContact CG1-CE2 4.11Å; F492-F505 HydrophobicContact CD2-CD2 4.2Å; F492-F505 AromaticContact CD2-CE2 3.62Å; F492-F505 HydrophobicContact CD2-CE2 3.62Å; F492-F505 HydrophobicContact CD2-CZ 4.44Å; F492-F505 AromaticContact CE2-CD2 3.99Å; F492-F505 HydrophobicContact CE2-CD2 3.99Å; F492-F505 AromaticContact CE2-CE2 3.05Å; F492-F505 HydrophobicContact CE2-CE2 3.05Å; F492-F505 AromaticContact CE2-CZ 3.48Å; F492-F505 HydrophobicContact CE2-CZ 3.48Å; F492-F505 VanDerWaalsContact CE2-CZ 3.48Å; F492-F505 HydrophobicContact CZ-CD2 4.48Å; F492-F505 AromaticContact CZ-CE2 3.62Å; F492-F505 HydrophobicContact CZ-CE2 3.62Å; F492-F505 AromaticContact CZ-CZ 3.63Å; F492-F505 HydrophobicContact CZ-CZ 3.63Å; L502-F505 WeakPolarHBondContact O-CA 3.41Å; L502-F505 VanDerWaalsContact O-CB 3.3Å; L502-F505 WeakPolarHBondContact O-CB 3.06Å; L502-F505 PolarHBondContact O-N 3.4Å; D503-F505 PolarHBondContact O-N 3.49Å; F505-T507 VanDerWaalsContact C-N 3.27Å; F505-T507 PolarHBondContact O-N 3.5Å; F505-P508 WeakPolarHBondContact O-CD 3.34Å; F505-I509 HydrophobicContact CD1-CD1 4.1Å; F505-I509 HydrophobicContact CD2-CD1 4.39Å; F505-I509 HydrophobicContact CD2-CG1 4.42Å; F505-I509 HydrophobicContact CE1-CD1 3.32Å; F505-I509 HydrophobicContact CE1-CG1 4.25Å; F505-I509 HydrophobicContact CE2-CD1 3.6Å; F505-I509 HydrophobicContact CE2-CG1 3.88Å; F505-I509 HydrophobicContact CZ-CD1 3.06Å; F505-I509 HydrophobicContact CZ-CG1 3.88Å; F505-I509 PolarHBondContact O-N 3.01Å
506Y88.9Confident82.6Confident20 Ų2056 Ų568%0.07831%0.307CS..Hα-helixtrans-63-34.3178.5-67.3-57000112.9L379 Q380 E383 L502 D503 I509 K510 F524L379-Y506 HydrophobicContact CD2-CE1 3.79Å; L379-Y506 HydrophobicContact CG-CE1 4.21Å; Q380-Y506 WeakPolarHBondContact CA-OH 3.48Å; Q380-Y506 HydrophobicContact CG-CE1 3.78Å; Q380-Y506 HydrophobicContact CG-CE2 4.42Å; Q380-Y506 WeakPolarHBondContact CG-OH 3.27Å; Q380-Y506 PolarHBondContact N-OH 3.22Å; E383-Y506 WeakPolarHBondContact OE2-CE2 3.47Å; E383-Y506 VanDerWaalsContact OE2-CZ 3.24Å; E383-Y506 PolarHBondContact OE2-OH 3.34Å; L502-Y506 HydrophobicContact CB-CD2 4.26Å; L502-Y506 HydrophobicContact CB-CE2 3.69Å; L502-Y506 WeakPolarHBondContact O-CD2 3.45Å; L502-Y506 PolarHBondContact O-N 2.91Å; D503-Y506 PolarHBondContact O-N 3.3Å; Y506-I509 PolarHBondContact O-N 3.42Å; Y506-K510 VanDerWaalsContact O-CB 3.27Å; Y506-K510 WeakPolarHBondContact O-CB 3.4Å; Y506-K510 PolarHBondContact O-N 3.41Å; Y506-F524 AromaticContact CD1-CE1 3.94Å; Y506-F524 HydrophobicContact CD1-CE1 3.94Å; Y506-F524 HydrophobicContact CD1-CZ 4.45Å; Y506-F524 HydrophobicContact CG-CE1 4.38Å
507T88.1Confident83.3Confident99 Ų9952.4 Ų52.461%0.60729%0.29SS*.Hα-helixtrans-64.9-52.5-177.2-55.50000112.2D503 F505 I509 K510 N511D503-T507 PolarHBondContact O-N 3.05Å; D503-T507 PolarHBondContact O-OG1 3.38Å; D503-T507 VanDerWaalsContact O-OG1 3.12Å; F505-T507 VanDerWaalsContact C-N 3.27Å; F505-T507 PolarHBondContact O-N 3.5Å; T507-I509 PolarHBondContact O-N 3.26Å; T507-K510 PolarHBondContact O-N 3.06Å; T507-N511 PolarHBondContact O-N 3.21Å; T507-N511 VanDerWaalsContact O-N 3.08Å
508P88.6Confident83.8Confident22 Ų2248 Ų4814%0.14328%0.275CS..Hα-helixtrans-61.3-38.4172.9-26.736.4000114.1V488 T504 F505 N511 L512V488-P508 HydrophobicContact CB-CB 4.37Å; V488-P508 HydrophobicContact CG2-CB 3.61Å; T504-P508 WeakPolarHBondContact O-CD 3.28Å; T504-P508 WeakPolarHBondContact O-CG 3.43Å; F505-P508 WeakPolarHBondContact O-CD 3.34Å; P508-N511 PolarHBondContact O-N 3.39Å; P508-L512 PolarHBondContact O-N 3.31Å
509I90Very high84.7Confident1 Ų141.4 Ų41.41%0.00524%0.24CC..Hα-helixtrans-63-45.3176.7-78.8-162000111.1I410 V411 V488 F505 Y506 T507 N511 L512 S513 F524I410-I509 HydrophobicContact CB-CD1 4.31Å; I410-I509 HydrophobicContact CG2-CD1 3.81Å; V411-I509 HydrophobicContact CG2-CD1 4.49Å; V488-I509 HydrophobicContact CG1-CG1 4.29Å; F505-I509 HydrophobicContact CD1-CD1 4.1Å; F505-I509 HydrophobicContact CD2-CD1 4.39Å; F505-I509 HydrophobicContact CD2-CG1 4.42Å; F505-I509 HydrophobicContact CE1-CD1 3.32Å; F505-I509 HydrophobicContact CE1-CG1 4.25Å; F505-I509 HydrophobicContact CE2-CD1 3.6Å; F505-I509 HydrophobicContact CE2-CG1 3.88Å; F505-I509 HydrophobicContact CZ-CD1 3.06Å; F505-I509 HydrophobicContact CZ-CG1 3.88Å; F505-I509 PolarHBondContact O-N 3.01Å; Y506-I509 PolarHBondContact O-N 3.42Å; T507-I509 PolarHBondContact O-N 3.26Å; I509-N511 VanDerWaalsContact C-N 3.32Å; I509-N511 PolarHBondContact O-N 3.03Å; I509-L512 PolarHBondContact O-N 2.83Å; I509-S513 VanDerWaalsContact O-CB 3.31Å; I509-S513 WeakPolarHBondContact O-CB 3.28Å; I509-S513 PolarHBondContact O-N 3.02Å; I509-S513 PolarHBondContact O-OG 3.48Å; I509-F524 HydrophobicContact CG2-CE2 3.95Å; I509-F524 HydrophobicContact CG2-CZ 3.67Å
510K89.8Confident85.2Confident88 Ų8844.6 Ų44.638%0.38326%0.26SS..Hα-helixtrans-60.5-44.5178.6-178.9-176.4172.6-176.90110.7Y506 T507 S513 V514 D515 F524Y506-K510 VanDerWaalsContact O-CB 3.27Å; Y506-K510 WeakPolarHBondContact O-CB 3.4Å; Y506-K510 PolarHBondContact O-N 3.41Å; T507-K510 PolarHBondContact O-N 3.06Å; K510-S513 PolarHBondContact O-N 2.84Å; K510-V514 HydrophobicContact CG-CB 4.43Å; K510-V514 HydrophobicContact CG-CG2 4.2Å; K510-V514 WeakPolarHBondContact O-CA 3.37Å; K510-V514 VanDerWaalsContact O-CB 3.31Å; K510-V514 WeakPolarHBondContact O-CB 3.43Å; K510-V514 PolarHBondContact O-N 2.88Å; K510-D515 PolarHBondContact O-N 2.99Å; K510-F524 HydrophobicContact CB-CD1 4.34Å; K510-F524 HydrophobicContact CB-CD2 4.1Å; K510-F524 HydrophobicContact CB-CE1 4.41Å; K510-F524 HydrophobicContact CB-CE2 4.16Å; K510-F524 HydrophobicContact CB-CG 4.21Å; K510-F524 HydrophobicContact CB-CZ 4.33Å; K510-F524 HydrophobicContact CD-CB 4.11Å; K510-F524 HydrophobicContact CD-CG 4.24Å; K510-F524 HydrophobicContact CG-CB 4.23Å; K510-F524 HydrophobicContact CG-CD2 4.07Å; K510-F524 HydrophobicContact CG-CG 4.05Å
511N88.9Confident85.7Confident49 Ų4939 Ų3926%0.26223%0.226SC..Iπ-helixtrans-57.8-51.6175.3-177.129.6000111.6T507 P508 I509 S513 D515 I516T507-N511 PolarHBondContact O-N 3.21Å; T507-N511 VanDerWaalsContact O-N 3.08Å; P508-N511 PolarHBondContact O-N 3.39Å; I509-N511 VanDerWaalsContact C-N 3.32Å; I509-N511 PolarHBondContact O-N 3.03Å; N511-S513 PolarHBondContact O-N 3.36Å; N511-D515 WeakPolarHBondContact CA-OD2 3.49Å; N511-D515 WeakPolarHBondContact O-CB 3.26Å; N511-D515 PolarHBondContact O-N 3.02Å; N511-D515 VanDerWaalsContact O-N 3.16Å; N511-I516 PolarHBondContact O-N 3.27Å
512L89.2Confident85.7Confident0 Ų040.8 Ų40.80%024%0.238CC..Iπ-helixtrans-62.4-47.3-179.9179.160.6000112.4L414 I418 A484 I485 V488 P508 I509 L517L414-L512 HydrophobicContact CB-CD2 4.5Å; L414-L512 HydrophobicContact CD1-CD2 4.09Å; L414-L512 HydrophobicContact CD1-CG 4.43Å; I418-L512 HydrophobicContact CD1-CD1 4.26Å; A484-L512 HydrophobicContact CB-CB 4.36Å; A484-L512 HydrophobicContact CB-CD1 3.82Å; I485-L512 HydrophobicContact CG1-CD1 4.28Å; I485-L512 HydrophobicContact CG1-CD2 4.24Å; V488-L512 HydrophobicContact CG2-CB 4.3Å; V488-L512 HydrophobicContact CG2-CD2 4.08Å; P508-L512 PolarHBondContact O-N 3.31Å; I509-L512 PolarHBondContact O-N 2.83Å; L512-L517 HydrophobicContact CG-CD1 4.47Å; L512-L517 VanDerWaalsContact O-CG 3.26Å; L512-L517 WeakPolarHBondContact O-CG 3.44Å; L512-L517 PolarHBondContact O-N 3.42Å; L512-L517 VanDerWaalsContact O-N 3.1Å
513S89.4Confident85.5Confident0 Ų041.3 Ų41.30%024%0.241CC..Iπ-helixtrans-82.2-43.7-171.258.40000114I509 K510 N511 L517 G518 L519 I521I509-S513 VanDerWaalsContact O-CB 3.31Å; I509-S513 WeakPolarHBondContact O-CB 3.28Å; I509-S513 PolarHBondContact O-N 3.02Å; I509-S513 PolarHBondContact O-OG 3.48Å; K510-S513 PolarHBondContact O-N 2.84Å; N511-S513 PolarHBondContact O-N 3.36Å; S513-L517 WeakPolarHBondContact O-CB 3.45Å; S513-G518 PolarHBondContact O-N 3.47Å; S513-L519 WeakPolarHBondContact O-CB 3.44Å; S513-L519 WeakPolarHBondContact O-CG 3.5Å; S513-L519 PolarHBondContact O-N 3.35Å; S513-I521 VanDerWaalsContact CB-CD1 3.43Å; S513-I521 WeakPolarHBondContact OG-CD1 3.43Å
514V86.6Confident85.1Confident37 Ų3738 Ų3822%0.22422%0.222CC..Iπ-helixtrans-91.3-53.2-176.1-176.30000110.6K510 G518 I521 F524K510-V514 HydrophobicContact CG-CB 4.43Å; K510-V514 HydrophobicContact CG-CG2 4.2Å; K510-V514 WeakPolarHBondContact O-CA 3.37Å; K510-V514 VanDerWaalsContact O-CB 3.31Å; K510-V514 WeakPolarHBondContact O-CB 3.43Å; K510-V514 PolarHBondContact O-N 2.88Å; V514-G518 WeakPolarHBondContact O-CA 3.37Å; V514-G518 PolarHBondContact O-N 3.46Å; V514-G518 VanDerWaalsContact O-N 3.14Å; V514-I521 HydrophobicContact CG2-CB 4.24Å; V514-I521 HydrophobicContact CG2-CD1 4.31Å; V514-F524 HydrophobicContact CG2-CD2 4.06Å
515D84.9Confident84.4Confident106 Ų10638.4 Ų38.457%0.56722%0.218SC*.Iπ-helixtrans-77.8-37.4-169.1-56.7-34.1000111.9K510 N511K510-D515 PolarHBondContact O-N 2.99Å; N511-D515 WeakPolarHBondContact CA-OD2 3.49Å; N511-D515 WeakPolarHBondContact O-CB 3.26Å; N511-D515 PolarHBondContact O-N 3.02Å; N511-D515 VanDerWaalsContact O-N 3.16Å
516I84.3Confident83Confident51 Ų5143 Ų4326%0.26225%0.249SC..Iπ-helixtrans-93.3-53.6-177.7-62.9171.8000111.8I481 A484 N511 G518I481-I516 HydrophobicContact CB-CG2 4.44Å; I481-I516 HydrophobicContact CD1-CG2 4.26Å; I481-I516 HydrophobicContact CG1-CG2 3.33Å; A484-I516 HydrophobicContact CB-CD1 3.2Å; N511-I516 PolarHBondContact O-N 3.27Å; I516-G518 VanDerWaalsContact C-N 3.34Å
517L83.7Confident81.4Confident9 Ų946.4 Ų46.45%0.04727%0.273CS..THydrogen-bonded Turntrans-81.3-12.4-178.7-64.6171.3000113.7K365 L414 I418 I481 L512 S513 L519K365-L517 WeakPolarHBondContact CE-O 3.43Å; K365-L517 PolarHBondContact NZ-O 3.25Å; L414-L517 HydrophobicContact CD2-CD1 3.96Å; I418-L517 HydrophobicContact CD1-CD1 4.17Å; I418-L517 HydrophobicContact CD1-CD2 4.36Å; I418-L517 HydrophobicContact CG1-CD1 4.13Å; I418-L517 HydrophobicContact CG1-CD2 3.75Å; I481-L517 HydrophobicContact CD1-CD2 4.37Å; L512-L517 HydrophobicContact CG-CD1 4.47Å; L512-L517 VanDerWaalsContact O-CG 3.26Å; L512-L517 WeakPolarHBondContact O-CG 3.44Å; L512-L517 PolarHBondContact O-N 3.42Å; L512-L517 VanDerWaalsContact O-N 3.1Å; S513-L517 WeakPolarHBondContact O-CB 3.45Å; L517-L519 VanDerWaalsContact C-N 3.29Å; L517-L519 HydrophobicContact CB-CD1 4.33Å; L517-L519 HydrophobicContact CB-CG 4.03Å; L517-L519 HydrophobicContact CD1-CD1 4.33Å; L517-L519 PolarHBondContact O-N 3.45Å
518G80.4Confident79.7Confident38 Ų3847.9 Ų47.939%0.39228%0.278SS..  trans63.731.5-178.700000113.4K365 S513 V514 I516K365-G518 WeakPolarHBondContact CE-O 3.36Å; K365-G518 PolarHBondContact NZ-O 3.19Å; S513-G518 PolarHBondContact O-N 3.47Å; V514-G518 WeakPolarHBondContact O-CA 3.37Å; V514-G518 PolarHBondContact O-N 3.46Å; V514-G518 VanDerWaalsContact O-N 3.14Å; I516-G518 VanDerWaalsContact C-N 3.34Å
519L84.9Confident78Confident1 Ų151.8 Ų51.81%0.00531%0.306CS..  trans-80.9136173.8-57.7173.7000109.9K365 T368 Q369 L414 S513 L517 I521K365-L519 HydrophobicContact CD-CD2 4.45Å; K365-L519 HydrophobicContact CG-CD2 3.67Å; T368-L519 HydrophobicContact CG2-CD1 4.25Å; Q369-L519 HydrophobicContact CB-CD2 4.39Å; L414-L519 HydrophobicContact CD2-CD1 3.66Å; S513-L519 WeakPolarHBondContact O-CB 3.44Å; S513-L519 WeakPolarHBondContact O-CG 3.5Å; S513-L519 PolarHBondContact O-N 3.35Å; L517-L519 VanDerWaalsContact C-N 3.29Å; L517-L519 HydrophobicContact CB-CD1 4.33Å; L517-L519 HydrophobicContact CB-CG 4.03Å; L517-L519 HydrophobicContact CD1-CD1 4.33Å; L517-L519 PolarHBondContact O-N 3.45Å; L519-I521 HydrophobicContact CB-CG1 4.39Å; L519-I521 PolarHBondContact O-N 3.23Å
520T83.4Confident76.2Confident79 Ų7959.5 Ų59.549%0.48534%0.341SS..  trans-88.890.4177.5-52.70000110.8Q369Q369-T520 WeakPolarHBondContact CG-O 3.45Å; Q369-T520 PolarHBondContact NE2-O 2.93Å; Q369-T520 VanDerWaalsContact NE2-O 3.08Å
521I82.6Confident75Confident0 Ų059.1 Ų59.10%034%0.343CS..  trans-94.3101.8178.6-63.1168.8000109.3V372 N373 S513 V514 L519 V523 F524 H525V372-I521 HydrophobicContact CG1-CD1 3.6Å; V372-I521 HydrophobicContact CG1-CG1 4.34Å; N373-I521 HydrophobicContact CB-CG2 4.38Å; N373-I521 WeakPolarHBondContact OD1-CG2 3.39Å; S513-I521 VanDerWaalsContact CB-CD1 3.43Å; S513-I521 WeakPolarHBondContact OG-CD1 3.43Å; V514-I521 HydrophobicContact CG2-CB 4.24Å; V514-I521 HydrophobicContact CG2-CD1 4.31Å; L519-I521 HydrophobicContact CB-CG1 4.39Å; L519-I521 PolarHBondContact O-N 3.23Å; I521-V523 HydrophobicContact CG2-CB 4.12Å; I521-V523 PolarHBondContact O-N 3.2Å; I521-V523 VanDerWaalsContact O-N 3.14Å; I521-F524 HydrophobicContact CB-CD2 3.78Å; I521-F524 HydrophobicContact CB-CE2 4.26Å; I521-F524 HydrophobicContact CD1-CD2 4.21Å; I521-F524 HydrophobicContact CD1-CE2 3.94Å; I521-F524 HydrophobicContact CG2-CD2 3.47Å; I521-F524 VanDerWaalsContact CG2-CD2 3.47Å; I521-F524 HydrophobicContact CG2-CE2 3.75Å; I521-F524 HydrophobicContact CG2-CG 4.26Å; I521-F524 PolarHBondContact O-N 2.88Å; I521-H525 PolarHBondContact O-CE1 3.21Å; I521-H525 VanDerWaalsContact O-CE1 3.27Å; I521-H525 PolarHBondContact O-ND1 2.9Å
522S78.8Confident74.4Confident70 Ų7062.6 Ų62.649%0.4936%0.362SS..G310 helixtrans-59.4-27.7-175.659.80000113N373 F524 H525N373-S522 PolarHBondContact ND2-OG 3.32Å; N373-S522 PolarHBondContact OD1-N 2.84Å; N373-S522 PolarHBondContact OD1-OG 2.96Å; S522-F524 VanDerWaalsContact C-N 3.33Å; S522-F524 PolarHBondContact O-N 2.89Å; S522-H525 WeakPolarHBondContact CA-ND1 3.49Å; S522-H525 WeakPolarHBondContact O-CB 3.29Å; S522-H525 PolarHBondContact O-N 3.41Å; S522-H525 VanDerWaalsContact O-N 3.17Å; S522-H525 PolarHBondContact O-ND1 2.88Å
523V79.8Confident74Confident12 Ų1269.2 Ų69.27%0.07339%0.391CS..G310 helixtrans-64.1-33.3-178.9177.20000113.3N373 V376 L377 Q380 I521 H525N373-V523 VanDerWaalsContact OD1-CG2 3.23Å; N373-V523 WeakPolarHBondContact OD1-CG2 3.45Å; N373-V523 PolarHBondContact OD1-N 3.49Å; V376-V523 HydrophobicContact CG1-CB 4.24Å; V376-V523 HydrophobicContact CG1-CG1 3.78Å; L377-V523 HydrophobicContact CB-CG2 3.8Å; L377-V523 HydrophobicContact CD1-CG2 4.18Å; L377-V523 HydrophobicContact CG-CG2 4.46Å; Q380-V523 HydrophobicContact CG-CG1 4.44Å; I521-V523 HydrophobicContact CG2-CB 4.12Å; I521-V523 PolarHBondContact O-N 3.2Å; I521-V523 VanDerWaalsContact O-N 3.14Å; V523-H525 VanDerWaalsContact C-N 3.29Å; V523-H525 PolarHBondContact O-N 3.21Å
524F76.4Confident73.6Confident28 Ų2872.4 Ų72.412%0.12340%0.403CS..G310 helixtrans-81.5-6.2177.5-66-51.4000114V376 Y506 I509 K510 V514 I521 S522V376-F524 HydrophobicContact CG1-CE1 3.88Å; V376-F524 HydrophobicContact CG1-CE2 4.26Å; V376-F524 HydrophobicContact CG1-CZ 3.63Å; V376-F524 HydrophobicContact CG2-CE2 4.41Å; V376-F524 HydrophobicContact CG2-CZ 4.17Å; Y506-F524 AromaticContact CD1-CE1 3.94Å; Y506-F524 HydrophobicContact CD1-CE1 3.94Å; Y506-F524 HydrophobicContact CD1-CZ 4.45Å; Y506-F524 HydrophobicContact CG-CE1 4.38Å; I509-F524 HydrophobicContact CG2-CE2 3.95Å; I509-F524 HydrophobicContact CG2-CZ 3.67Å; K510-F524 HydrophobicContact CB-CD1 4.34Å; K510-F524 HydrophobicContact CB-CD2 4.1Å; K510-F524 HydrophobicContact CB-CE1 4.41Å; K510-F524 HydrophobicContact CB-CE2 4.16Å; K510-F524 HydrophobicContact CB-CG 4.21Å; K510-F524 HydrophobicContact CB-CZ 4.33Å; K510-F524 HydrophobicContact CD-CB 4.11Å; K510-F524 HydrophobicContact CD-CG 4.24Å; K510-F524 HydrophobicContact CG-CB 4.23Å; K510-F524 HydrophobicContact CG-CD2 4.07Å; K510-F524 HydrophobicContact CG-CG 4.05Å; V514-F524 HydrophobicContact CG2-CD2 4.06Å; I521-F524 HydrophobicContact CB-CD2 3.78Å; I521-F524 HydrophobicContact CB-CE2 4.26Å; I521-F524 HydrophobicContact CD1-CD2 4.21Å; I521-F524 HydrophobicContact CD1-CE2 3.94Å; I521-F524 HydrophobicContact CG2-CD2 3.47Å; I521-F524 VanDerWaalsContact CG2-CD2 3.47Å; I521-F524 HydrophobicContact CG2-CE2 3.75Å; I521-F524 HydrophobicContact CG2-CG 4.26Å; I521-F524 PolarHBondContact O-N 2.88Å; S522-F524 VanDerWaalsContact C-N 3.33Å; S522-F524 PolarHBondContact O-N 2.89Å
525H67.3Low73.4Confident91 Ų9176.8 Ų76.842%0.42142%0.421SS..SBendtrans-72.7142.3179.7-68.866.9000109.8I521 S522 V523I521-H525 PolarHBondContact O-CE1 3.21Å; I521-H525 VanDerWaalsContact O-CE1 3.27Å; I521-H525 PolarHBondContact O-ND1 2.9Å; S522-H525 WeakPolarHBondContact CA-ND1 3.49Å; S522-H525 WeakPolarHBondContact O-CB 3.29Å; S522-H525 PolarHBondContact O-N 3.41Å; S522-H525 VanDerWaalsContact O-N 3.17Å; S522-H525 PolarHBondContact O-ND1 2.88Å; V523-H525 VanDerWaalsContact C-N 3.29Å; V523-H525 PolarHBondContact O-N 3.21Å
526P57.6Low73.4Confident102 Ų10280.2 Ų80.266%0.66243%0.426SS*.  trans-52.5134175.9-21.830.5000109.9N528P526-N528 PolarHBondContact O-N 2.87Å
527P55.3Low73.5Confident91 Ų9181.2 Ų81.259%0.59143%0.432SS*.  trans-62.1105.5171.425.6-30.7000107.8S529P527-S529 PolarHBondContact O-N 3.31Å
528N52.7Low73.8Confident131 Ų13181.6 Ų81.670%0.70143%0.433SS*.  trans-56.6127.1162.8-87.1-12.3000107.1P526 H530 N531P526-N528 PolarHBondContact O-N 2.87Å; N528-H530 PolarHBondContact O-N 3.41Å; N528-N531 PolarHBondContact O-N 2.83Å; N528-N531 VanDerWaalsContact O-N 3.09Å
529S51.5Low74.3Confident104 Ų10484.2 Ų84.273%0.72743%0.431SS*.THydrogen-bonded Turntrans-44.5-10.8-158.3-170.40000119.1P527P527-S529 PolarHBondContact O-N 3.31Å
530H53.7Low74.6Confident162 Ų16289 Ų8975%0.7546%0.456SS*.THydrogen-bonded Turntrans-150.246.6179-70.4-69.1000112.1N528 N532N528-H530 PolarHBondContact O-N 3.41Å; H530-N532 VanDerWaalsContact C-N 3.31Å; H530-N532 PolarHBondContact O-N 2.95Å
531N64.4Low75.1Confident80 Ų8085.9 Ų85.943%0.42844%0.436SS..  trans-79.978.5-175.5-155.711.4000111.8N528 K533 R534 E535N528-N531 PolarHBondContact O-N 2.83Å; N528-N531 VanDerWaalsContact O-N 3.09Å; N531-K533 PolarHBondContact O-N 3.28Å; N531-K533 WeakPolarHBondContact OD1-CB 3.31Å; N531-R534 HydrophobicContact CB-CB 4.14Å; N531-R534 WeakPolarHBondContact O-CB 3.29Å; N531-R534 PolarHBondContact O-N 3.46Å; N531-E535 PolarHBondContact O-N 3.02Å
532N75.1Confident75.6Confident122 Ų12285.9 Ų85.965%0.65244%0.436SS*.Hα-helixtrans-49-26.3171.1-66.7-13.6000112.2H530 R536H530-N532 VanDerWaalsContact C-N 3.31Å; H530-N532 PolarHBondContact O-N 2.95Å; N532-R536 WeakPolarHBondContact O-CB 3.5Å; N532-R536 PolarHBondContact O-N 3.48Å
533K81Confident76.3Confident140 Ų14084.1 Ų84.161%0.60942%0.421SS*.Hα-helixtrans-64.8-45.6173.4-172.7178.9177.3-179.40112.4N531 R536 D537N531-K533 PolarHBondContact O-N 3.28Å; N531-K533 WeakPolarHBondContact OD1-CB 3.31Å; K533-R536 WeakPolarHBondContact O-CB 3.36Å; K533-R536 PolarHBondContact O-N 3.29Å; K533-D537 PolarHBondContact O-N 3.37Å
534R80.5Confident77Confident66 Ų6687.4 Ų87.425%0.24944%0.436CS..Hα-helixtrans-63.9-44.7179.1179.1177.2176156.26.3110.8N531 R536 D537 E538N531-R534 HydrophobicContact CB-CB 4.14Å; N531-R534 WeakPolarHBondContact O-CB 3.29Å; N531-R534 PolarHBondContact O-N 3.46Å; R534-R536 VanDerWaalsContact C-N 3.3Å; R534-R536 PolarHBondContact O-N 3.47Å; R534-D537 PolarHBondContact O-N 3.02Å; R534-E538 HydrophobicContact CG-CG 4.36Å; R534-E538 WeakPolarHBondContact CG-OE1 3.48Å; R534-E538 IonicContact CZ-OE1 2.67Å; R534-E538 IonicContact NE-OE1 2.66Å; R534-E538 PolarHBondContact NE-OE1 3.17Å; R534-E538 IonicContact NH2-OE1 3Å; R534-E538 WeakPolarHBondContact O-CB 3.44Å; R534-E538 VanDerWaalsContact O-CG 3.31Å; R534-E538 WeakPolarHBondContact O-CG 3.49Å; R534-E538 PolarHBondContact O-N 2.99Å
535E83.2Confident77.8Confident130 Ų13086.6 Ų86.661%0.60743%0.432SS*.Hα-helixtrans-60.7-40.9176.4-172.1-179.2177.200111.7N531 E538 R539N531-E535 PolarHBondContact O-N 3.02Å; E535-E538 PolarHBondContact O-N 2.92Å; E535-R539 WeakPolarHBondContact O-CB 3.37Å; E535-R539 PolarHBondContact O-N 3.38Å
536R85.7Confident79.1Confident178 Ų17882.3 Ų82.367%0.67241%0.413SS*.Hα-helixtrans-62.7-45.7173.6-176.8179.6179.21681112.3N532 K533 R534 R539 L540N532-R536 WeakPolarHBondContact O-CB 3.5Å; N532-R536 PolarHBondContact O-N 3.48Å; K533-R536 WeakPolarHBondContact O-CB 3.36Å; K533-R536 PolarHBondContact O-N 3.29Å; R534-R536 VanDerWaalsContact C-N 3.3Å; R534-R536 PolarHBondContact O-N 3.47Å; R536-R539 PolarHBondContact O-N 2.95Å; R536-L540 HydrophobicContact CG-CD1 4.19Å; R536-L540 HydrophobicContact CG-CG 4.47Å; R536-L540 WeakPolarHBondContact O-CB 3.48Å; R536-L540 VanDerWaalsContact O-CG 3.29Å; R536-L540 WeakPolarHBondContact O-CG 3.34Å; R536-L540 PolarHBondContact O-N 3.26Å
537D86.5Confident80.9Confident71 Ų7180.4 Ų80.438%0.3840%0.397SS..Hα-helixtrans-65-40.7179.7-66.7-19.1000111K533 R534 L540 K541K533-D537 PolarHBondContact O-N 3.37Å; R534-D537 PolarHBondContact O-N 3.02Å; D537-L540 PolarHBondContact O-N 2.98Å; D537-K541 WeakPolarHBondContact O-CB 3.39Å; D537-K541 PolarHBondContact O-N 2.87Å
538E90.1Very high82.8Confident18 Ų1880.2 Ų80.28%0.08439%0.388CS..Hα-helixtrans-61.2-45.8172.7-76.7176.4-166.700111.6L377 L381 R384 R534 E535 K541 A542 W588L377-E538 HydrophobicContact CD1-CG 3.9Å; L381-E538 WeakPolarHBondContact CD1-O 3.34Å; L381-E538 HydrophobicContact CD2-CB 3.97Å; L381-E538 HydrophobicContact CD2-CG 4.03Å; R384-E538 IonicContact CZ-OE2 2.75Å; R384-E538 IonicContact NH1-OE2 3.51Å; R384-E538 PolarHBondContact NH1-OE2 3.24Å; R384-E538 IonicContact NH2-OE2 3.33Å; R384-E538 PolarHBondContact NH2-OE2 3.01Å; R534-E538 HydrophobicContact CG-CG 4.36Å; R534-E538 WeakPolarHBondContact CG-OE1 3.48Å; R534-E538 IonicContact CZ-OE1 2.67Å; R534-E538 IonicContact NE-OE1 2.66Å; R534-E538 PolarHBondContact NE-OE1 3.17Å; R534-E538 IonicContact NH2-OE1 3Å; R534-E538 WeakPolarHBondContact O-CB 3.44Å; R534-E538 VanDerWaalsContact O-CG 3.31Å; R534-E538 WeakPolarHBondContact O-CG 3.49Å; R534-E538 PolarHBondContact O-N 2.99Å; E535-E538 PolarHBondContact O-N 2.92Å; E538-K541 PolarHBondContact O-N 3.16Å; E538-A542 VanDerWaalsContact O-CB 3.29Å; E538-A542 WeakPolarHBondContact O-CB 3.28Å; E538-A542 PolarHBondContact O-N 3.31Å; E538-W588 HydrophobicContact CB-CH2 4.46Å; E538-W588 HydrophobicContact CB-CZ3 4.35Å
539R89.8Confident84.7Confident93 Ų9375.1 Ų75.135%0.35136%0.361SS..Hα-helixtrans-65.5-39.8177.5-173.7171.1175.280.3-0.6112E535 R536 N543 S624 L682 Y683 A684E535-R539 WeakPolarHBondContact O-CB 3.37Å; E535-R539 PolarHBondContact O-N 3.38Å; R536-R539 PolarHBondContact O-N 2.95Å; R539-N543 PolarHBondContact O-N 2.91Å; R539-S624 PolarHBondContact NH2-OG 3.44Å; R539-L682 PolarHBondContact NH2-O 3.18Å; R539-Y683 HydrophobicContact CG-CD1 4.05Å; R539-Y683 HydrophobicContact CG-CE1 4.06Å; R539-A684 PolarHBondContact NH2-OXT 3.31Å
540L91.5Very high86.8Confident100 Ų10071.3 Ų71.352%0.52433%0.332SS..Hα-helixtrans-64.7-45.3175.2-74.6174.5000111.3R536 D537 N543 E544R536-L540 HydrophobicContact CG-CD1 4.19Å; R536-L540 HydrophobicContact CG-CG 4.47Å; R536-L540 WeakPolarHBondContact O-CB 3.48Å; R536-L540 VanDerWaalsContact O-CG 3.29Å; R536-L540 WeakPolarHBondContact O-CG 3.34Å; R536-L540 PolarHBondContact O-N 3.26Å; D537-L540 PolarHBondContact O-N 2.98Å; L540-N543 WeakPolarHBondContact O-CB 3.47Å; L540-N543 PolarHBondContact O-N 3.05Å; L540-E544 PolarHBondContact O-N 3.17Å
541K92.7Very high88.7Confident15 Ų1569 Ų697%0.06532%0.323CS..Hα-helixtrans-66.8-38178.7-172.963.7-177.6179.20112.1S374 L377 S378 L381 D537 E538 N543 E544 L545S374-K541 PolarHBondContact OG-NZ 3.37Å; L377-K541 HydrophobicContact CD2-CB 3.7Å; L377-K541 HydrophobicContact CD2-CG 3.84Å; L377-K541 HydrophobicContact CG-CB 4.16Å; L377-K541 HydrophobicContact CG-CG 3.95Å; S378-K541 WeakPolarHBondContact OG-CE 3.29Å; L381-K541 HydrophobicContact CD1-CB 3.74Å; L381-K541 HydrophobicContact CD1-CG 3.82Å; D537-K541 WeakPolarHBondContact O-CB 3.39Å; D537-K541 PolarHBondContact O-N 2.87Å; E538-K541 PolarHBondContact O-N 3.16Å; K541-N543 VanDerWaalsContact C-N 3.32Å; K541-N543 PolarHBondContact O-N 3.43Å; K541-E544 WeakPolarHBondContact CD-OE2 3.27Å; K541-E544 IonicContact NZ-OE1 3.79Å; K541-E544 PolarHBondContact NZ-OE1 3.28Å; K541-E544 IonicContact NZ-OE2 3.29Å; K541-E544 PolarHBondContact NZ-OE2 3.3Å; K541-E544 WeakPolarHBondContact O-CB 3.28Å; K541-E544 PolarHBondContact O-N 3.27Å; K541-L545 WeakPolarHBondContact O-CG 3.39Å; K541-L545 PolarHBondContact O-N 2.82Å
542A93.2Very high90.1Very high0 Ų070.3 Ų70.30%033%0.327CS..Hα-helixtrans-62.5-38.917400000112.2L381 E538 A546 Q583 W588 P589 Y683L381-A542 HydrophobicContact CD1-CB 4.27Å; E538-A542 VanDerWaalsContact O-CB 3.29Å; E538-A542 WeakPolarHBondContact O-CB 3.28Å; E538-A542 PolarHBondContact O-N 3.31Å; A542-A546 WeakPolarHBondContact O-CB 3.35Å; A542-A546 PolarHBondContact O-N 3.26Å; A542-Q583 PolarHBondContact O-NE2 3.16Å; A542-W588 HydrophobicContact CB-CE3 4.37Å; A542-W588 HydrophobicContact CB-CZ3 4.38Å; A542-P589 HydrophobicContact CB-CG 4.45Å; A542-Y683 HydrophobicContact CB-CE1 4.21Å; A542-Y683 VanDerWaalsContact CB-OH 3.27Å; A542-Y683 WeakPolarHBondContact CB-OH 3.39Å
543N94.2Very high90.9Very high33 Ų3364.6 Ų64.618%0.17630%0.296CS..Hα-helixtrans-67-41.2173.2-170.515.5000111.9R539 L540 K541 L545 A546 I547 R679 Y683R539-N543 PolarHBondContact O-N 2.91Å; L540-N543 WeakPolarHBondContact O-CB 3.47Å; L540-N543 PolarHBondContact O-N 3.05Å; K541-N543 VanDerWaalsContact C-N 3.32Å; K541-N543 PolarHBondContact O-N 3.43Å; N543-L545 VanDerWaalsContact C-N 3.34Å; N543-L545 PolarHBondContact O-N 3.19Å; N543-A546 WeakPolarHBondContact O-CB 3.49Å; N543-A546 PolarHBondContact O-N 3.1Å; N543-I547 VanDerWaalsContact O-CG1 3.29Å; N543-I547 WeakPolarHBondContact O-CG1 3.48Å; N543-I547 PolarHBondContact O-N 2.97Å; N543-R679 PolarHBondContact OD1-NH1 3.34Å; N543-Y683 HydrophobicContact CB-CD1 3.68Å; N543-Y683 HydrophobicContact CB-CD2 3.9Å; N543-Y683 HydrophobicContact CB-CE1 3.94Å; N543-Y683 HydrophobicContact CB-CE2 4.14Å; N543-Y683 HydrophobicContact CB-CG 3.68Å; N543-Y683 WeakPolarHBondContact OD1-CD2 3.5Å
544E94.7Very high91.4Very high81 Ų8163.1 Ų63.138%0.37929%0.29SS..Hα-helixtrans-56.9-47.7174.7-171-159.9137.300111.3L540 K541 A546 I547 Q548L540-E544 PolarHBondContact O-N 3.17Å; K541-E544 WeakPolarHBondContact CD-OE2 3.27Å; K541-E544 IonicContact NZ-OE1 3.79Å; K541-E544 PolarHBondContact NZ-OE1 3.28Å; K541-E544 IonicContact NZ-OE2 3.29Å; K541-E544 PolarHBondContact NZ-OE2 3.3Å; K541-E544 WeakPolarHBondContact O-CB 3.28Å; K541-E544 PolarHBondContact O-N 3.27Å; E544-A546 VanDerWaalsContact C-N 3.34Å; E544-A546 PolarHBondContact O-N 2.78Å; E544-I547 PolarHBondContact O-N 3.44Å; E544-Q548 WeakPolarHBondContact O-CG 3.4Å; E544-Q548 PolarHBondContact O-N 3.46Å; E544-Q548 PolarHBondContact OE1-NE2 3.23Å
545L94.1Very high91.9Very high10 Ų1065.8 Ų65.85%0.05231%0.305CS..Hα-helixtrans-62.1-41.7176-68.9173.1000111.7L382 K541 N543 I547 Q548 V549 P589L382-L545 HydrophobicContact CG-CD1 4.46Å; K541-L545 WeakPolarHBondContact O-CG 3.39Å; K541-L545 PolarHBondContact O-N 2.82Å; N543-L545 VanDerWaalsContact C-N 3.34Å; N543-L545 PolarHBondContact O-N 3.19Å; L545-I547 VanDerWaalsContact C-N 3.31Å; L545-I547 PolarHBondContact O-N 2.72Å; L545-Q548 WeakPolarHBondContact O-CB 3.35Å; L545-Q548 PolarHBondContact O-N 2.78Å; L545-V549 WeakPolarHBondContact O-CG2 3.42Å; L545-V549 PolarHBondContact O-N 2.81Å; L545-P589 HydrophobicContact CB-CB 4.31Å; L545-P589 HydrophobicContact CD1-CB 4.2Å; L545-P589 HydrophobicContact CD1-CG 3.85Å
546A93.7Very high92.1Very high1 Ų160.2 Ų60.21%0.00828%0.28CS..Hα-helixtrans-62.1-38.7176.100000112.4A542 N543 E544 V549 E550 R679 Y683A542-A546 WeakPolarHBondContact O-CB 3.35Å; A542-A546 PolarHBondContact O-N 3.26Å; N543-A546 WeakPolarHBondContact O-CB 3.49Å; N543-A546 PolarHBondContact O-N 3.1Å; E544-A546 VanDerWaalsContact C-N 3.34Å; E544-A546 PolarHBondContact O-N 2.78Å; A546-V549 PolarHBondContact O-N 3.45Å; A546-E550 WeakPolarHBondContact O-CB 3.36Å; A546-E550 PolarHBondContact O-N 3.22Å; A546-R679 HydrophobicContact CB-CG 3.78Å; A546-Y683 HydrophobicContact CB-CE2 3.93Å
547I95.2Very high92.1Very high63 Ų6352.4 Ų52.432%0.32325%0.252SS..Hα-helixtrans-66.7-39176.5-69.8164.6000110.7N543 E544 L545 V549 E550 M551N543-I547 VanDerWaalsContact O-CG1 3.29Å; N543-I547 WeakPolarHBondContact O-CG1 3.48Å; N543-I547 PolarHBondContact O-N 2.97Å; E544-I547 PolarHBondContact O-N 3.44Å; L545-I547 VanDerWaalsContact C-N 3.31Å; L545-I547 PolarHBondContact O-N 2.72Å; I547-V549 VanDerWaalsContact C-N 3.34Å; I547-E550 PolarHBondContact O-N 2.93Å; I547-M551 HydrophobicContact CG2-SD 4.28Å; I547-M551 WeakPolarHBondContact O-CB 3.46Å; I547-M551 WeakPolarHBondContact O-CG 3.18Å; I547-M551 PolarHBondContact O-N 3.3Å
548Q94.7Very high92Very high86 Ų8652 Ų5240%0.40226%0.255SS..Hα-helixtrans-62.1-43175.1-69.4174.814.100111.4E544 L545 M551 Q552E544-Q548 WeakPolarHBondContact O-CG 3.4Å; E544-Q548 PolarHBondContact O-N 3.46Å; E544-Q548 PolarHBondContact OE1-NE2 3.23Å; L545-Q548 WeakPolarHBondContact O-CB 3.35Å; L545-Q548 PolarHBondContact O-N 2.78Å; Q548-M551 PolarHBondContact O-N 2.74Å; Q548-Q552 WeakPolarHBondContact O-CG 3.21Å; Q548-Q552 PolarHBondContact O-N 2.94Å
549V94.1Very high91.4Very high25 Ų2553.7 Ų53.715%0.15226%0.264CS..Hα-helixtrans-67.6-41175.7179.40000111.4L545 A546 I547 M551 Q552 L553 A576 C579 L580L545-V549 WeakPolarHBondContact O-CG2 3.42Å; L545-V549 PolarHBondContact O-N 2.81Å; A546-V549 PolarHBondContact O-N 3.45Å; I547-V549 VanDerWaalsContact C-N 3.34Å; V549-M551 VanDerWaalsContact C-N 3.31Å; V549-M551 PolarHBondContact O-N 3.39Å; V549-Q552 PolarHBondContact O-N 3Å; V549-L553 WeakPolarHBondContact O-CB 3.35Å; V549-L553 PolarHBondContact O-N 3.46Å; V549-A576 HydrophobicContact CG1-CB 3.94Å; V549-A576 WeakPolarHBondContact CG1-O 3.48Å; V549-C579 HydrophobicContact CG1-CB 4.35Å; V549-L580 HydrophobicContact CG1-CB 3.95Å; V549-L580 HydrophobicContact CG1-CD1 4.42Å
550E94.3Very high90.4Very high23 Ų2349.9 Ų49.911%0.10725%0.252CS..Hα-helixtrans-58.3-43.7172.9-175.9-167.7130.500111A546 I547 L553 K554 L580 I676 R679A546-E550 WeakPolarHBondContact O-CB 3.36Å; A546-E550 PolarHBondContact O-N 3.22Å; I547-E550 PolarHBondContact O-N 2.93Å; E550-L553 PolarHBondContact O-N 2.95Å; E550-K554 VanDerWaalsContact O-CB 3.31Å; E550-K554 WeakPolarHBondContact O-CB 3.36Å; E550-K554 PolarHBondContact O-N 3.02Å; E550-L580 HydrophobicContact CB-CD1 4.16Å; E550-I676 HydrophobicContact CG-CG1 3.91Å; E550-R679 IonicContact OE2-CZ 3.21Å; E550-R679 IonicContact OE2-NE 3.29Å; E550-R679 PolarHBondContact OE2-NE 2.93Å; E550-R679 IonicContact OE2-NH2 3.38Å; E550-R679 PolarHBondContact OE2-NH2 3.35Å
551M93.9Very high89.1Confident115 Ų11553.1 Ų53.157%0.56726%0.262SS*.Hα-helixtrans-62.7-44.2177.5-80.4176.737.300111.9I547 Q548 V549 L553 K554 E555I547-M551 HydrophobicContact CG2-SD 4.28Å; I547-M551 WeakPolarHBondContact O-CB 3.46Å; I547-M551 WeakPolarHBondContact O-CG 3.18Å; I547-M551 PolarHBondContact O-N 3.3Å; Q548-M551 PolarHBondContact O-N 2.74Å; V549-M551 VanDerWaalsContact C-N 3.31Å; V549-M551 PolarHBondContact O-N 3.39Å; M551-L553 VanDerWaalsContact C-N 3.32Å; M551-L553 PolarHBondContact O-N 3.45Å; M551-K554 PolarHBondContact O-N 3.06Å; M551-E555 VanDerWaalsContact O-CB 3.28Å; M551-E555 WeakPolarHBondContact O-CB 3.47Å; M551-E555 PolarHBondContact O-N 3.5Å
552Q93.1Very high87.7Confident107 Ų10758.5 Ų58.550%0.529%0.29SS..Hα-helixtrans-60.9-41.9175.6-73.2179.2-0.900111.8Q548 V549 S556 A576Q548-Q552 WeakPolarHBondContact O-CG 3.21Å; Q548-Q552 PolarHBondContact O-N 2.94Å; V549-Q552 PolarHBondContact O-N 3Å; Q552-S556 WeakPolarHBondContact O-CB 3.09Å; Q552-S556 PolarHBondContact O-N 3.31Å; Q552-S556 PolarHBondContact O-OG 2.83Å; Q552-A576 HydrophobicContact CB-CB 4.34Å
553L93.1Very high86.1Confident1 Ų162.7 Ų62.71%0.00531%0.313CS..Hα-helixtrans-62.6-50.1175.4-179.559.1000110.9V549 E550 M551 E555 S556 V557 A573 A576 A577 I671 L672V549-L553 WeakPolarHBondContact O-CB 3.35Å; V549-L553 PolarHBondContact O-N 3.46Å; E550-L553 PolarHBondContact O-N 2.95Å; M551-L553 VanDerWaalsContact C-N 3.32Å; M551-L553 PolarHBondContact O-N 3.45Å; L553-E555 PolarHBondContact O-N 2.9Å; L553-S556 PolarHBondContact O-N 3.34Å; L553-V557 HydrophobicContact CD1-CG2 4.29Å; L553-V557 WeakPolarHBondContact O-CG2 3.44Å; L553-V557 PolarHBondContact O-N 3.39Å; L553-A573 HydrophobicContact CD1-CB 3.8Å; L553-A573 WeakPolarHBondContact CD1-O 3.39Å; L553-A576 HydrophobicContact CB-CB 3.95Å; L553-A577 HydrophobicContact CD1-CB 4.1Å; L553-A577 HydrophobicContact CD2-CB 4.3Å; L553-I671 HydrophobicContact CD1-CG2 4.44Å; L553-I671 HydrophobicContact CD2-CG2 4.41Å; L553-L672 HydrophobicContact CB-CD1 4.47Å; L553-L672 HydrophobicContact CD2-CD1 4.07Å; L553-L672 HydrophobicContact CG-CD1 3.86Å
554K92Very high84.6Confident110 Ų11069.5 Ų69.548%0.47835%0.349SS..Hα-helixtrans-61.3-46.5-179.7-175.3178.2178.9-179.10112.2E550 M551 S556 V557 C558 L672E550-K554 VanDerWaalsContact O-CB 3.31Å; E550-K554 WeakPolarHBondContact O-CB 3.36Å; E550-K554 PolarHBondContact O-N 3.02Å; M551-K554 PolarHBondContact O-N 3.06Å; K554-S556 VanDerWaalsContact C-N 3.34Å; K554-V557 PolarHBondContact O-N 2.82Å; K554-C558 WeakPolarHBondContact O-CB 3.37Å; K554-C558 PolarHBondContact O-N 3.44Å; K554-C558 PolarHBondContact O-SG 2.79Å; K554-C558 VanDerWaalsContact O-SG 3.35Å; K554-L672 HydrophobicContact CB-CD1 3.95Å; K554-L672 HydrophobicContact CG-CD1 4.49Å; K554-L672 HydrophobicContact CG-CD2 4.49Å
555E90.1Very high83.8Confident122 Ų12269.6 Ų69.657%0.5735%0.352SS*.Hα-helixtrans-61.2-44.3178-175.4179.2177.300110.9M551 L553 V557 C558 N559M551-E555 VanDerWaalsContact O-CB 3.28Å; M551-E555 WeakPolarHBondContact O-CB 3.47Å; M551-E555 PolarHBondContact O-N 3.5Å; L553-E555 PolarHBondContact O-N 2.9Å; E555-V557 PolarHBondContact O-N 3.46Å; E555-C558 PolarHBondContact O-N 3.1Å; E555-N559 VanDerWaalsContact O-CB 3.28Å; E555-N559 WeakPolarHBondContact O-CB 3.34Å; E555-N559 PolarHBondContact O-N 2.84Å; E555-N559 PolarHBondContact O-ND2 3.04Å
556S87.2Confident83.2Confident13 Ų1369.9 Ų69.99%0.09135%0.354CS..Hα-helixtrans-58.6-50.9176.5-58.70000111.3Q552 L553 K554 C558 N559 A560 V569 T572Q552-S556 WeakPolarHBondContact O-CB 3.09Å; Q552-S556 PolarHBondContact O-N 3.31Å; Q552-S556 PolarHBondContact O-OG 2.83Å; L553-S556 PolarHBondContact O-N 3.34Å; K554-S556 VanDerWaalsContact C-N 3.34Å; S556-C558 PolarHBondContact O-N 3.39Å; S556-N559 PolarHBondContact O-N 3.05Å; S556-A560 PolarHBondContact O-N 3Å; S556-V569 WeakPolarHBondContact O-CG1 3.5Å; S556-T572 WeakPolarHBondContact CB-OG1 3.47Å; S556-T572 WeakPolarHBondContact OG-CB 3.29Å; S556-T572 PolarHBondContact OG-OG1 3.34Å
557V86.6Confident82.7Confident13 Ų1372.1 Ų72.18%0.07937%0.365CS..Hα-helixtrans-67.1-35.6-178.61770000112.4L553 K554 E555 A560 A573 L668 K669 L672L553-V557 HydrophobicContact CD1-CG2 4.29Å; L553-V557 WeakPolarHBondContact O-CG2 3.44Å; L553-V557 PolarHBondContact O-N 3.39Å; K554-V557 PolarHBondContact O-N 2.82Å; E555-V557 PolarHBondContact O-N 3.46Å; V557-A560 WeakPolarHBondContact O-CB 3.08Å; V557-A573 HydrophobicContact CG2-CB 4.32Å; V557-L668 HydrophobicContact CG2-CB 4.14Å; V557-K669 HydrophobicContact CG1-CG 4.27Å; V557-L672 HydrophobicContact CB-CD2 4.08Å; V557-L672 HydrophobicContact CG1-CD2 3.99Å; V557-L672 HydrophobicContact CG2-CB 4.4Å
558C84.8Confident82.3Confident64 Ų6475.8 Ų75.843%0.43238%0.379SS..Hα-helixtrans-68.8-40.6174.7-740000112.2K554 E555 S556 A560 K561K554-C558 WeakPolarHBondContact O-CB 3.37Å; K554-C558 PolarHBondContact O-N 3.44Å; K554-C558 PolarHBondContact O-SG 2.79Å; K554-C558 VanDerWaalsContact O-SG 3.35Å; E555-C558 PolarHBondContact O-N 3.1Å; S556-C558 PolarHBondContact O-N 3.39Å; C558-A560 PolarHBondContact O-N 2.6Å; C558-K561 PolarHBondContact O-N 2.72Å
559N77.2Confident82Confident53 Ų5372 Ų7228%0.28336%0.362SS..Hα-helixtrans-66.2-21.5178.3-74.9-17.8000113.1E555 S556 K561 I562 N563E555-N559 VanDerWaalsContact O-CB 3.28Å; E555-N559 WeakPolarHBondContact O-CB 3.34Å; E555-N559 PolarHBondContact O-N 2.84Å; E555-N559 PolarHBondContact O-ND2 3.04Å; S556-N559 PolarHBondContact O-N 3.05Å; N559-K561 PolarHBondContact O-N 3.25Å; N559-K561 VanDerWaalsContact O-N 3.08Å; N559-I562 PolarHBondContact O-N 2.88Å; N559-N563 PolarHBondContact O-N 3.33Å
560A68.6Low81.6Confident13 Ų1370.9 Ų70.911%0.10736%0.355CS..THydrogen-bonded Turntrans-52.2-27.9171.300000113.5S556 V557 C558 V569S556-A560 PolarHBondContact O-N 3Å; V557-A560 WeakPolarHBondContact O-CB 3.08Å; C558-A560 PolarHBondContact O-N 2.6Å; A560-V569 HydrophobicContact CB-CG1 3.79Å
561K64.7Low81.4Confident168 Ų16872.4 Ų72.473%0.7337%0.366SS*.THydrogen-bonded Turntrans-79-19.8179.7-64-176.3178.7-178.10113.8C558 N559C558-K561 PolarHBondContact O-N 2.72Å; N559-K561 PolarHBondContact O-N 3.25Å; N559-K561 VanDerWaalsContact O-N 3.08Å
562I61.4Low81.3Confident128 Ų12869.6 Ų69.666%0.65636%0.355SS*.THydrogen-bonded Turntrans-109.2-41.6-169.1-55.8172.8000110.6N559N559-I562 PolarHBondContact O-N 2.88Å
563N59.7Low81.2Confident88 Ų8864.5 Ų64.547%0.47133%0.332SS..  trans-100.4133.9-173.6-69.8-27.1000111.5N559 D565N559-N563 PolarHBondContact O-N 3.33Å; N563-D565 PolarHBondContact O-N 2.9Å
564N63.7Low81.2Confident175 Ų17564.7 Ų64.794%0.93633%0.333SS*.SBendtrans-72.5-0.9176.5-74.9-7.6000114.4L566N564-L566 PolarHBondContact O-N 3.09Å
565D78.2Confident81.4Confident84 Ų8461.8 Ų61.845%0.44932%0.322SS..  trans-9673.9179.7-168.1-3.5000111N563 L567 K568 V569N563-D565 PolarHBondContact O-N 2.9Å; D565-L567 PolarHBondContact O-N 3.04Å; D565-L567 PolarHBondContact OD1-N 2.89Å; D565-K568 HydrophobicContact CB-CB 4.32Å; D565-K568 PolarHBondContact O-N 3.47Å; D565-K568 PolarHBondContact OD1-N 3.12Å; D565-K568 WeakPolarHBondContact OD2-CB 3.34Å; D565-V569 PolarHBondContact O-N 2.97Å
566L81.1Confident81.6Confident15 Ų1556 Ų568%0.07930%0.295CS..Hα-helixtrans-58.4-31177.7-176.962.7000111.8N564 V569 A570 E661 I664 Q665N564-L566 PolarHBondContact O-N 3.09Å; L566-V569 PolarHBondContact O-N 2.69Å; L566-A570 VanDerWaalsContact O-CB 3.27Å; L566-A570 WeakPolarHBondContact O-CB 3.34Å; L566-A570 PolarHBondContact O-N 2.9Å; L566-E661 HydrophobicContact CD2-CB 3.85Å; L566-E661 HydrophobicContact CD2-CG 3.76Å; L566-I664 HydrophobicContact CD1-CG2 4.47Å; L566-I664 HydrophobicContact CD2-CD1 4.41Å; L566-I664 HydrophobicContact CD2-CG2 4.5Å; L566-Q665 HydrophobicContact CD1-CG 4.35Å
567L84Confident82Confident49 Ų4955.4 Ų55.426%0.25729%0.291SS..Hα-helixtrans-64.8-47.3179.6178.462.9000111.5D565 V569 A570 T571 I648 K651 V652D565-L567 PolarHBondContact O-N 3.04Å; D565-L567 PolarHBondContact OD1-N 2.89Å; L567-V569 VanDerWaalsContact C-N 3.3Å; L567-V569 PolarHBondContact O-N 3.18Å; L567-A570 PolarHBondContact O-N 2.98Å; L567-T571 HydrophobicContact CD1-CG2 4.26Å; L567-T571 WeakPolarHBondContact O-CB 3.42Å; L567-T571 VanDerWaalsContact O-CG2 3.28Å; L567-T571 WeakPolarHBondContact O-CG2 3.31Å; L567-T571 PolarHBondContact O-N 3.49Å; L567-T571 PolarHBondContact O-OG1 2.84Å; L567-I648 HydrophobicContact CD1-CG1 4.46Å; L567-I648 HydrophobicContact CD1-CG2 4.17Å; L567-K651 HydrophobicContact CD1-CB 4.24Å; L567-K651 HydrophobicContact CD1-CG 4.24Å; L567-K651 HydrophobicContact CD2-CG 4.47Å; L567-V652 HydrophobicContact CD1-CG2 4.31Å; L567-V652 HydrophobicContact CD2-CG2 4.47Å
568K86Confident82.4Confident139 Ų13954.8 Ų54.860%0.60429%0.287SS*.Hα-helixtrans-62.6-40.1176.5-173.9177.3-179.4-178.70111.8D565 T571 T572D565-K568 HydrophobicContact CB-CB 4.32Å; D565-K568 PolarHBondContact O-N 3.47Å; D565-K568 PolarHBondContact OD1-N 3.12Å; D565-K568 WeakPolarHBondContact OD2-CB 3.34Å; K568-T571 WeakPolarHBondContact CA-OG1 3.34Å; K568-T571 PolarHBondContact O-OG1 3.16Å; K568-T572 WeakPolarHBondContact O-CG2 3.46Å; K568-T572 PolarHBondContact O-N 2.77Å; K568-T572 PolarHBondContact O-OG1 2.95Å
569V87.3Confident82.9Confident8 Ų852.1 Ų52.15%0.04827%0.269CS..Hα-helixtrans-64.6-46.8176.8167.70000111.7S556 A560 D565 L566 L567 T572 A573 L668S556-V569 WeakPolarHBondContact O-CG1 3.5Å; A560-V569 HydrophobicContact CB-CG1 3.79Å; D565-V569 PolarHBondContact O-N 2.97Å; L566-V569 PolarHBondContact O-N 2.69Å; L567-V569 VanDerWaalsContact C-N 3.3Å; L567-V569 PolarHBondContact O-N 3.18Å; V569-T572 PolarHBondContact O-OG1 3.46Å; V569-A573 WeakPolarHBondContact O-CB 3.44Å; V569-A573 PolarHBondContact O-N 3Å; V569-L668 HydrophobicContact CG1-CD1 4.34Å
570A87.3Confident83.7Confident0 Ų049.7 Ų49.70%026%0.256CS..Hα-helixtrans-62.1-46.1178.900000110.5L566 L567 T572 A573 T574 V644 I648L566-A570 VanDerWaalsContact O-CB 3.27Å; L566-A570 WeakPolarHBondContact O-CB 3.34Å; L566-A570 PolarHBondContact O-N 2.9Å; L567-A570 PolarHBondContact O-N 2.98Å; A570-T572 PolarHBondContact O-N 3.21Å; A570-A573 PolarHBondContact O-N 3.13Å; A570-T574 VanDerWaalsContact O-CB 3.27Å; A570-T574 WeakPolarHBondContact O-CB 3.35Å; A570-T574 PolarHBondContact O-N 3.12Å; A570-T574 PolarHBondContact O-OG1 3.33Å; A570-V644 HydrophobicContact CB-CG1 4.1Å; A570-I648 HydrophobicContact CB-CD1 3.99Å; A570-I648 HydrophobicContact CB-CG1 3.9Å
571T89.9Confident84.9Confident55 Ų5549 Ų4934%0.33725%0.251SS..Hα-helixtrans-60.6-45.1179.850.90000113.3L567 K568 L575 I648L567-T571 HydrophobicContact CD1-CG2 4.26Å; L567-T571 WeakPolarHBondContact O-CB 3.42Å; L567-T571 VanDerWaalsContact O-CG2 3.28Å; L567-T571 WeakPolarHBondContact O-CG2 3.31Å; L567-T571 PolarHBondContact O-N 3.49Å; L567-T571 PolarHBondContact O-OG1 2.84Å; K568-T571 WeakPolarHBondContact CA-OG1 3.34Å; K568-T571 PolarHBondContact O-OG1 3.16Å; T571-L575 WeakPolarHBondContact O-CB 3.43Å; T571-L575 PolarHBondContact O-N 3.4Å; T571-L575 VanDerWaalsContact O-N 3.1Å; T571-I648 HydrophobicContact CG2-CD1 4.09Å; T571-I648 HydrophobicContact CG2-CG1 4.19Å; T571-I648 HydrophobicContact CG2-CG2 3.62Å
572T91.1Very high86.3Confident57 Ų5741 Ų4135%0.3522%0.216SC..Hα-helixtrans-70.4-39.3178.156.60000112.1S556 K568 V569 A570 A576S556-T572 WeakPolarHBondContact CB-OG1 3.47Å; S556-T572 WeakPolarHBondContact OG-CB 3.29Å; S556-T572 PolarHBondContact OG-OG1 3.34Å; K568-T572 WeakPolarHBondContact O-CG2 3.46Å; K568-T572 PolarHBondContact O-N 2.77Å; K568-T572 PolarHBondContact O-OG1 2.95Å; V569-T572 PolarHBondContact O-OG1 3.46Å; A570-T572 PolarHBondContact O-N 3.21Å; T572-A576 WeakPolarHBondContact O-CB 3.27Å; T572-A576 PolarHBondContact O-N 2.78Å
573A91.7Very high87.8Confident0 Ų035.1 Ų35.10%019%0.186CC..Hα-helixtrans-65.5-46.9176.800000111.7L553 V557 V569 A570 L575 A576 A577 L668L553-A573 HydrophobicContact CD1-CB 3.8Å; L553-A573 WeakPolarHBondContact CD1-O 3.39Å; V557-A573 HydrophobicContact CG2-CB 4.32Å; V569-A573 WeakPolarHBondContact O-CB 3.44Å; V569-A573 PolarHBondContact O-N 3Å; A570-A573 PolarHBondContact O-N 3.13Å; A573-L575 PolarHBondContact O-N 3.36Å; A573-A576 PolarHBondContact O-N 3.44Å; A573-A577 WeakPolarHBondContact O-CB 3.4Å; A573-A577 PolarHBondContact O-N 3.43Å; A573-L668 HydrophobicContact CB-CD2 3.63Å
574T93.5Very high89.3Confident4 Ų431 Ų313%0.02516%0.164CC..Hα-helixtrans-62.8-41.8178.6-59.30000111.3A570 T578 V597 I601 L641 V644 A645 I648A570-T574 VanDerWaalsContact O-CB 3.27Å; A570-T574 WeakPolarHBondContact O-CB 3.35Å; A570-T574 PolarHBondContact O-N 3.12Å; A570-T574 PolarHBondContact O-OG1 3.33Å; T574-T578 VanDerWaalsContact O-CB 3.3Å; T574-T578 WeakPolarHBondContact O-CB 3.42Å; T574-T578 PolarHBondContact O-N 3.44Å; T574-T578 PolarHBondContact O-OG1 2.63Å; T574-V597 HydrophobicContact CG2-CG1 3.84Å; T574-I601 HydrophobicContact CG2-CD1 4.27Å; T574-L641 HydrophobicContact CG2-CD1 3.85Å; T574-V644 WeakPolarHBondContact OG1-CG1 3.37Å; T574-A645 HydrophobicContact CG2-CB 4.21Å; T574-I648 HydrophobicContact CG2-CD1 4.33Å
575L94.5Very high90.5Very high49 Ų4922.7 Ų22.726%0.25712%0.119SC..Hα-helixtrans-57.8-53.4173.4-177.595.3000111.7T571 A573 T578 C579 A592 V597T571-L575 WeakPolarHBondContact O-CB 3.43Å; T571-L575 PolarHBondContact O-N 3.4Å; T571-L575 VanDerWaalsContact O-N 3.1Å; A573-L575 PolarHBondContact O-N 3.36Å; L575-T578 PolarHBondContact O-N 3.03Å; L575-C579 PolarHBondContact O-N 3.34Å; L575-C579 PolarHBondContact O-SG 2.8Å; L575-A592 WeakPolarHBondContact CD1-O 3.27Å; L575-V597 HydrophobicContact CB-CG2 4.46Å; L575-V597 HydrophobicContact CD1-CG2 3.63Å
576A94.7Very high91Very high1 Ų119.5 Ų19.51%0.00810%0.102CC..Hα-helixtrans-63.3-44.9-177.700000111.6V549 Q552 L553 T572 A573 C579 L580V549-A576 HydrophobicContact CG1-CB 3.94Å; V549-A576 WeakPolarHBondContact CG1-O 3.48Å; Q552-A576 HydrophobicContact CB-CB 4.34Å; L553-A576 HydrophobicContact CB-CB 3.95Å; T572-A576 WeakPolarHBondContact O-CB 3.27Å; T572-A576 PolarHBondContact O-N 2.78Å; A573-A576 PolarHBondContact O-N 3.44Å; A576-C579 PolarHBondContact O-N 2.91Å; A576-L580 WeakPolarHBondContact O-CB 3.2Å; A576-L580 PolarHBondContact O-N 3.39Å
577A94.8Very high91.2Very high0 Ų019.6 Ų19.60%011%0.106CC..Hα-helixtrans-60.6-46.5176.800000111.9L553 A573 C579 L580 F581 L641 I671L553-A577 HydrophobicContact CD1-CB 4.1Å; L553-A577 HydrophobicContact CD2-CB 4.3Å; A573-A577 WeakPolarHBondContact O-CB 3.4Å; A573-A577 PolarHBondContact O-N 3.43Å; A577-C579 VanDerWaalsContact C-N 3.32Å; A577-C579 PolarHBondContact O-N 3.46Å; A577-L580 PolarHBondContact O-N 3.26Å; A577-F581 HydrophobicContact CB-CD2 4.35Å; A577-F581 HydrophobicContact CB-CE2 4.01Å; A577-F581 WeakPolarHBondContact O-CD2 3.47Å; A577-F581 WeakPolarHBondContact O-CG 3.26Å; A577-F581 PolarHBondContact O-N 3Å; A577-L641 HydrophobicContact CB-CD1 3.85Å; A577-I671 HydrophobicContact CB-CG2 3.36Å
578T95.5Very high91.6Very high0 Ų020.3 Ų20.30%011%0.106CC..Hα-helixtrans-60.3-43.8178.8-52.60000111T574 L575 A582 V597 L600 I601 L604T574-T578 VanDerWaalsContact O-CB 3.3Å; T574-T578 WeakPolarHBondContact O-CB 3.42Å; T574-T578 PolarHBondContact O-N 3.44Å; T574-T578 PolarHBondContact O-OG1 2.63Å; L575-T578 PolarHBondContact O-N 3.03Å; T578-A582 VanDerWaalsContact O-CB 3.28Å; T578-A582 WeakPolarHBondContact O-CB 3.48Å; T578-A582 PolarHBondContact O-N 2.9Å; T578-V597 HydrophobicContact CG2-CG1 4.32Å; T578-V597 WeakPolarHBondContact OG1-CG1 3.11Å; T578-L600 HydrophobicContact CG2-CB 3.98Å; T578-L600 HydrophobicContact CG2-CD2 3.61Å; T578-L600 HydrophobicContact CG2-CG 3.73Å; T578-I601 HydrophobicContact CG2-CG1 3.87Å; T578-L604 HydrophobicContact CG2-CD1 3.85Å
579C95.2Very high91.9Very high8 Ų813.8 Ų13.85%0.0548%0.078CC..Hα-helixtrans-63.7-42.3176.3-66.40000112.2V549 L575 A576 A577 A582 Q583 V590V549-C579 HydrophobicContact CG1-CB 4.35Å; L575-C579 PolarHBondContact O-N 3.34Å; L575-C579 PolarHBondContact O-SG 2.8Å; A576-C579 PolarHBondContact O-N 2.91Å; A577-C579 VanDerWaalsContact C-N 3.32Å; A577-C579 PolarHBondContact O-N 3.46Å; C579-A582 PolarHBondContact O-N 2.92Å; C579-Q583 WeakPolarHBondContact O-CB 3.28Å; C579-Q583 PolarHBondContact O-N 2.9Å; C579-V590 WeakPolarHBondContact CB-O 3.27Å
580L94.5Very high92.2Very high2 Ų213.6 Ų13.61%0.018%0.077CC..Hα-helixtrans-66.7-42179.6-173.8141000111.8V549 E550 A576 A577 Q583 I584V549-L580 HydrophobicContact CG1-CB 3.95Å; V549-L580 HydrophobicContact CG1-CD1 4.42Å; E550-L580 HydrophobicContact CB-CD1 4.16Å; A576-L580 WeakPolarHBondContact O-CB 3.2Å; A576-L580 PolarHBondContact O-N 3.39Å; A577-L580 PolarHBondContact O-N 3.26Å; L580-Q583 WeakPolarHBondContact O-CB 3.5Å; L580-Q583 PolarHBondContact O-N 3.47Å; L580-I584 HydrophobicContact CD2-CD1 3.5Å; L580-I584 VanDerWaalsContact CD2-CD1 3.5Å; L580-I584 HydrophobicContact CG-CD1 4.39Å; L580-I584 WeakPolarHBondContact O-CD1 3.27Å; L580-I584 WeakPolarHBondContact O-CG1 3.47Å; L580-I584 PolarHBondContact O-N 3.19Å
581F94.7Very high92.5Very high0 Ų014.4 Ų14.40%08%0.082CC..Hα-helixtrans-70.6-37.1175.5-62.7-44.1000112.5A577 Q583 I584 I585 L604 L632 V637 L641 I671 V674A577-F581 HydrophobicContact CB-CD2 4.35Å; A577-F581 HydrophobicContact CB-CE2 4.01Å; A577-F581 WeakPolarHBondContact O-CD2 3.47Å; A577-F581 WeakPolarHBondContact O-CG 3.26Å; A577-F581 PolarHBondContact O-N 3Å; F581-Q583 PolarHBondContact O-N 3.15Å; F581-I584 HydrophobicContact CD1-CD1 3.77Å; F581-I584 HydrophobicContact CE1-CD1 4.39Å; F581-I584 PolarHBondContact O-N 3.45Å; F581-I584 VanDerWaalsContact O-N 3.15Å; F581-I585 WeakPolarHBondContact O-CG1 3.24Å; F581-I585 PolarHBondContact O-N 2.98Å; F581-L604 HydrophobicContact CB-CD1 4.1Å; F581-L604 HydrophobicContact CB-CD2 4.41Å; F581-L632 HydrophobicContact CD1-CD1 3.44Å; F581-L632 VanDerWaalsContact CD1-CD1 3.44Å; F581-L632 HydrophobicContact CE1-CD1 3.71Å; F581-L632 HydrophobicContact CG-CD1 4.08Å; F581-V637 HydrophobicContact CE1-CG1 4.04Å; F581-V637 HydrophobicContact CE2-CG1 4.1Å; F581-V637 HydrophobicContact CE2-CG2 4.21Å; F581-V637 HydrophobicContact CZ-CB 4.45Å; F581-V637 HydrophobicContact CZ-CG1 3.73Å; F581-V637 HydrophobicContact CZ-CG2 3.81Å; F581-L641 HydrophobicContact CD2-CD2 3.94Å; F581-L641 HydrophobicContact CE2-CD2 4.37Å; F581-I671 HydrophobicContact CE2-CG2 3.98Å; F581-I671 HydrophobicContact CZ-CG2 4.12Å; F581-V674 HydrophobicContact CE1-CG1 4.32Å
582A93.7Very high92.6Very high0 Ų012 Ų120%07%0.067CC..Hα-helixtrans-58.4-39.9170.700000111.3T578 C579 I585 N586 V590 W603 L604T578-A582 VanDerWaalsContact O-CB 3.28Å; T578-A582 WeakPolarHBondContact O-CB 3.48Å; T578-A582 PolarHBondContact O-N 2.9Å; C579-A582 PolarHBondContact O-N 2.92Å; A582-I585 PolarHBondContact O-N 3.4Å; A582-N586 WeakPolarHBondContact O-CB 3.3Å; A582-N586 PolarHBondContact O-N 2.91Å; A582-V590 HydrophobicContact CB-CB 3.91Å; A582-V590 HydrophobicContact CB-CG1 4.23Å; A582-V590 HydrophobicContact CB-CG2 3.99Å; A582-W603 HydrophobicContact CB-CZ3 4.11Å; A582-L604 VanDerWaalsContact CA-CD2 3.48Å; A582-L604 HydrophobicContact CB-CD2 3.92Å
583Q93.1Very high92.6Very high4 Ų410.7 Ų10.72%0.0196%0.06CC..Hα-helixtrans-64.9-41.9174176.81686.100113.2A542 C579 L580 F581 I585 G587 W588 P589 L682 Y683A542-Q583 PolarHBondContact O-NE2 3.16Å; C579-Q583 WeakPolarHBondContact O-CB 3.28Å; C579-Q583 PolarHBondContact O-N 2.9Å; L580-Q583 WeakPolarHBondContact O-CB 3.5Å; L580-Q583 PolarHBondContact O-N 3.47Å; F581-Q583 PolarHBondContact O-N 3.15Å; Q583-I585 VanDerWaalsContact C-N 3.31Å; Q583-I585 PolarHBondContact O-N 3.31Å; Q583-G587 CarbonylContact O-C 3.49Å; Q583-G587 VanDerWaalsContact O-CA 3.26Å; Q583-G587 WeakPolarHBondContact O-CA 3.28Å; Q583-G587 PolarHBondContact O-N 3.07Å; Q583-W588 VanDerWaalsContact CA-O 3.31Å; Q583-W588 WeakPolarHBondContact CA-O 3.2Å; Q583-P589 HydrophobicContact CG-CB 4.46Å; Q583-L682 HydrophobicContact CG-CD2 4.3Å; Q583-Y683 PolarHBondContact NE2-OH 3.05Å
584I90.1Very high92.4Very high1 Ų113.2 Ų13.21%0.0059%0.085CC..Hα-helixtrans-64.2-39.8176.8-68.9152.2000111L580 F581 H625 A628 L632 C678 L682L580-I584 HydrophobicContact CD2-CD1 3.5Å; L580-I584 VanDerWaalsContact CD2-CD1 3.5Å; L580-I584 HydrophobicContact CG-CD1 4.39Å; L580-I584 WeakPolarHBondContact O-CD1 3.27Å; L580-I584 WeakPolarHBondContact O-CG1 3.47Å; L580-I584 PolarHBondContact O-N 3.19Å; F581-I584 HydrophobicContact CD1-CD1 3.77Å; F581-I584 HydrophobicContact CE1-CD1 4.39Å; F581-I584 PolarHBondContact O-N 3.45Å; F581-I584 VanDerWaalsContact O-N 3.15Å; I584-H625 PolarHBondContact O-NE2 3.34Å; I584-A628 HydrophobicContact CG2-CB 4.12Å; I584-L632 HydrophobicContact CG2-CD2 4.17Å; I584-C678 HydrophobicContact CD1-CB 3.24Å; I584-C678 HydrophobicContact CG1-CB 3.95Å; I584-C678 HydrophobicContact CG2-CB 4.29Å; I584-L682 HydrophobicContact CG1-CD2 4.24Å
585I90.2Very high92.2Very high0 Ų022.2 Ų22.20%012%0.124CC..Hα-helixtrans-67-54.5177.2-67.8-175.2000109.7F581 A582 Q583 W603 L604 A607 L608 K611 L629 L632F581-I585 WeakPolarHBondContact O-CG1 3.24Å; F581-I585 PolarHBondContact O-N 2.98Å; A582-I585 PolarHBondContact O-N 3.4Å; Q583-I585 VanDerWaalsContact C-N 3.31Å; Q583-I585 PolarHBondContact O-N 3.31Å; I585-W603 HydrophobicContact CG2-CH2 4.25Å; I585-L604 HydrophobicContact CD1-CB 4.32Å; I585-L604 HydrophobicContact CD1-CD2 3.64Å; I585-L604 HydrophobicContact CG1-CD2 4.44Å; I585-A607 HydrophobicContact CG2-CB 3.9Å; I585-L608 HydrophobicContact CD1-CB 4.11Å; I585-L608 HydrophobicContact CD1-CD1 4.28Å; I585-K611 VanDerWaalsContact C-NZ 3.31Å; I585-K611 HydrophobicContact CG2-CD 4.05Å; I585-K611 PolarHBondContact O-NZ 3.4Å; I585-L629 HydrophobicContact CG1-CD2 4.27Å; I585-L632 HydrophobicContact CD1-CD2 4.12Å; I585-L632 HydrophobicContact CG1-CD2 3.76Å
586N87.3Confident92Very high18 Ų1820 Ų2010%0.09611%0.113CC..Hα-helixtrans-78.4-20.5-172.9-72.9-20.5000114.8G385 A582 W588 W603G385-N586 PolarHBondContact O-ND2 3.25Å; G385-N586 VanDerWaalsContact O-ND2 3.16Å; A582-N586 WeakPolarHBondContact O-CB 3.3Å; A582-N586 PolarHBondContact O-N 2.91Å; N586-W588 PolarHBondContact O-N 2.85Å; N586-W603 WeakPolarHBondContact ND2-CH2 3.26Å; N586-W603 VanDerWaalsContact OD1-CH2 3.28Å; N586-W603 WeakPolarHBondContact OD1-CH2 3.39Å
587G86.6Confident91.9Very high16 Ų1620.4 Ų20.417%0.16512%0.115CC..SBendtrans80.5-7-171.200000114.1Q583 H625Q583-G587 CarbonylContact O-C 3.49Å; Q583-G587 VanDerWaalsContact O-CA 3.26Å; Q583-G587 WeakPolarHBondContact O-CA 3.28Å; Q583-G587 PolarHBondContact O-N 3.07Å; G587-H625 WeakPolarHBondContact CA-NE2 3.49Å; G587-H625 PolarHBondContact N-NE2 2.87Å
588W90.9Very high91.7Very high64 Ų6423.2 Ų23.224%0.24213%0.133CC..SBendtrans-128.6144.9-178.3-64.8111.2000110.8L381 R384 E538 A542 Q583 N586L381-W588 HydrophobicContact CD2-CE3 3.72Å; L381-W588 HydrophobicContact CD2-CZ3 3.6Å; R384-W588 HydrophobicContact CG-CG 4.18Å; E538-W588 HydrophobicContact CB-CH2 4.46Å; E538-W588 HydrophobicContact CB-CZ3 4.35Å; A542-W588 HydrophobicContact CB-CE3 4.37Å; A542-W588 HydrophobicContact CB-CZ3 4.38Å; Q583-W588 VanDerWaalsContact CA-O 3.31Å; Q583-W588 WeakPolarHBondContact CA-O 3.2Å; N586-W588 PolarHBondContact O-N 2.85Å
589P93.6Very high91.5Very high2 Ų227 Ų271%0.01315%0.151CC..  trans-61.7146.6-175.227.9-35.2000111.3L381 L382 A542 L545 Q583L381-P589 HydrophobicContact CB-CG 3.81Å; L382-P589 WeakPolarHBondContact CA-O 3.32Å; L382-P589 HydrophobicContact CD2-CB 3.84Å; L382-P589 HydrophobicContact CD2-CG 4.21Å; L382-P589 HydrophobicContact CG-CG 4.49Å; A542-P589 HydrophobicContact CB-CG 4.45Å; L545-P589 HydrophobicContact CB-CB 4.31Å; L545-P589 HydrophobicContact CD1-CB 4.2Å; L545-P589 HydrophobicContact CD1-CG 3.85Å; Q583-P589 HydrophobicContact CG-CB 4.46Å
590V93.6Very high91.3Very high5 Ų526.6 Ų26.63%0.0315%0.149CC..  trans-129.5145176.9178.90000108.2I386 I389 C579 A582I386-V590 HydrophobicContact CG1-CG1 4.1Å; I389-V590 HydrophobicContact CD1-CG1 4.41Å; C579-V590 WeakPolarHBondContact CB-O 3.27Å; A582-V590 HydrophobicContact CB-CB 3.91Å; A582-V590 HydrophobicContact CB-CG1 4.23Å; A582-V590 HydrophobicContact CB-CG2 3.99Å
591T93.6Very high91.3Very high17 Ų1726.7 Ų26.710%0.10415%0.149CC..  trans-129145172.5-1730000109L382 I386 L402 Y406L382-T591 HydrophobicContact CD1-CG2 4.21Å; L382-T591 HydrophobicContact CD2-CG2 4.04Å; I386-T591 HydrophobicContact CD1-CG2 4.47Å; L402-T591 HydrophobicContact CB-CG2 4.42Å; L402-T591 HydrophobicContact CD1-CG2 3.73Å; Y406-T591 HydrophobicContact CD2-CG2 4.32Å; Y406-T591 HydrophobicContact CE2-CG2 3.79Å
592A92Very high91.2Very high4 Ų431.2 Ų31.23%0.03317%0.173CC..  trans-143.5148.9-176.100000111.5L398 L575 L600L398-A592 HydrophobicContact CD2-CB 3.41Å; L398-A592 VanDerWaalsContact CD2-CB 3.41Å; L575-A592 WeakPolarHBondContact CD1-O 3.27Å; A592-L600 HydrophobicContact CB-CD2 3.89Å
593P91.8Very high91.1Very high30 Ų3031.4 Ų31.420%0.19517%0.174CC..  trans-73.5152.1164.230.3-28.5000110.1H401 K595 C596H401-P593 HydrophobicContact CB-CG 4.12Å; H401-P593 WeakPolarHBondContact ND1-CB 3.41Å; P593-K595 PolarHBondContact O-N 3.38Å; P593-C596 HydrophobicContact CG-CB 4.04Å; P593-C596 WeakPolarHBondContact CG-SG 3.5Å; P593-C596 PolarHBondContact O-N 2.82Å
594G87.2Confident91.1Very high52 Ų5231.2 Ų31.254%0.53617%0.173SC..G310 helixtrans-53.3-30.4178.700000114.7C596 V597G594-C596 VanDerWaalsContact C-N 3.3Å; G594-C596 PolarHBondContact O-N 3.24Å; G594-V597 WeakPolarHBondContact O-CB 3.28Å; G594-V597 WeakPolarHBondContact O-CG2 3.32Å; G594-V597 PolarHBondContact O-N 2.79Å
595K88.7Confident91.2Very high193 Ų19334.5 Ų34.584%0.83919%0.187SC*.G310 helixtrans-65.9-29.8178.8-63.1-176.3179.4-176.70113.9P593P593-K595 PolarHBondContact O-N 3.38Å
596C91.1Very high91.2Very high3 Ų339.3 Ų39.32%0.0221%0.21CC..G310 helixtrans-92.7-1.9-177.5-59.80000112.4L394 Q397 L398 P593 G594 E599 L600L394-C596 HydrophobicContact CD1-CB 3.69Å; Q397-C596 PolarHBondContact OE1-SG 3.14Å; L398-C596 HydrophobicContact CD2-CB 4.16Å; P593-C596 HydrophobicContact CG-CB 4.04Å; P593-C596 WeakPolarHBondContact CG-SG 3.5Å; P593-C596 PolarHBondContact O-N 2.82Å; G594-C596 VanDerWaalsContact C-N 3.3Å; G594-C596 PolarHBondContact O-N 3.24Å; C596-E599 PolarHBondContact O-N 3.16Å; C596-L600 VanDerWaalsContact O-CB 3.27Å; C596-L600 WeakPolarHBondContact O-CB 3.47Å; C596-L600 PolarHBondContact O-N 3.01Å
597V91.6Very high91.2Very high10 Ų1038.7 Ų38.76%0.06121%0.207CC..Hα-helixtrans-59.9-45.3-177.3173.10000112.3T574 L575 T578 G594 L600 I601T574-V597 HydrophobicContact CG2-CG1 3.84Å; L575-V597 HydrophobicContact CB-CG2 4.46Å; L575-V597 HydrophobicContact CD1-CG2 3.63Å; T578-V597 HydrophobicContact CG2-CG1 4.32Å; T578-V597 WeakPolarHBondContact OG1-CG1 3.11Å; G594-V597 WeakPolarHBondContact O-CB 3.28Å; G594-V597 WeakPolarHBondContact O-CG2 3.32Å; G594-V597 PolarHBondContact O-N 2.79Å; V597-L600 PolarHBondContact O-N 3.35Å; V597-I601 HydrophobicContact CG1-CD1 3.78Å; V597-I601 HydrophobicContact CG1-CG1 4.3Å; V597-I601 VanDerWaalsContact O-CG1 3.28Å; V597-I601 WeakPolarHBondContact O-CG1 3.49Å; V597-I601 PolarHBondContact O-N 3.46Å
598P90.5Very high91.3Very high58 Ų5839 Ų3938%0.37721%0.205SC..Hα-helixtrans-59.9-49.3177.7-24.135.4000112.7L600 I601 D602P598-L600 PolarHBondContact O-N 3.49Å; P598-I601 WeakPolarHBondContact O-CB 3.35Å; P598-I601 PolarHBondContact O-N 2.99Å; P598-D602 PolarHBondContact O-N 3.15Å
599E91.3Very high91Very high80 Ų8042.8 Ų42.837%0.37422%0.223SC..Hα-helixtrans-61.7-34.3177.2-66-178.9-153.700112.3L394 C596 W603L394-E599 HydrophobicContact CD1-CB 4.07Å; L394-E599 HydrophobicContact CD2-CB 4.24Å; C596-E599 PolarHBondContact O-N 3.16Å; E599-W603 WeakPolarHBondContact O-CB 3.31Å; E599-W603 PolarHBondContact O-N 3.29Å
600L92Very high90.5Very high0 Ų044.9 Ų44.90%024%0.238CC..Hα-helixtrans-71.2-35.6176.2-170.763.2000111.4I389 L394 L398 T578 A592 C596 V597 P598 W603 L604I389-L600 HydrophobicContact CD1-CD1 3.9Å; L394-L600 HydrophobicContact CD2-CD1 4.26Å; L398-L600 HydrophobicContact CD1-CD1 4.46Å; T578-L600 HydrophobicContact CG2-CB 3.98Å; T578-L600 HydrophobicContact CG2-CD2 3.61Å; T578-L600 HydrophobicContact CG2-CG 3.73Å; A592-L600 HydrophobicContact CB-CD2 3.89Å; C596-L600 VanDerWaalsContact O-CB 3.27Å; C596-L600 WeakPolarHBondContact O-CB 3.47Å; C596-L600 PolarHBondContact O-N 3.01Å; V597-L600 PolarHBondContact O-N 3.35Å; P598-L600 PolarHBondContact O-N 3.49Å; L600-W603 HydrophobicContact CD1-CD2 4.38Å; L600-W603 HydrophobicContact CD1-CE3 3.64Å; L600-W603 HydrophobicContact CD1-CZ3 4.23Å; L600-W603 PolarHBondContact O-N 3.37Å; L600-L604 VanDerWaalsContact O-CG 3.29Å; L600-L604 WeakPolarHBondContact O-CG 3.21Å; L600-L604 PolarHBondContact O-N 2.91Å
601I93.2Very high89.8Confident3 Ų346.2 Ų46.22%0.01524%0.243CC..Hα-helixtrans-63.8-45.9173.2-69.3166.1000110.3T574 T578 V597 P598 W603 L604 F605 L641 A645T574-I601 HydrophobicContact CG2-CD1 4.27Å; T578-I601 HydrophobicContact CG2-CG1 3.87Å; V597-I601 HydrophobicContact CG1-CD1 3.78Å; V597-I601 HydrophobicContact CG1-CG1 4.3Å; V597-I601 VanDerWaalsContact O-CG1 3.28Å; V597-I601 WeakPolarHBondContact O-CG1 3.49Å; V597-I601 PolarHBondContact O-N 3.46Å; P598-I601 WeakPolarHBondContact O-CB 3.35Å; P598-I601 PolarHBondContact O-N 2.99Å; I601-W603 VanDerWaalsContact C-N 3.28Å; I601-W603 PolarHBondContact O-N 3.43Å; I601-L604 WeakPolarHBondContact O-CA 3.42Å; I601-L604 VanDerWaalsContact O-CB 3.32Å; I601-L604 WeakPolarHBondContact O-CB 3.31Å; I601-L604 PolarHBondContact O-N 2.98Å; I601-F605 HydrophobicContact CG2-CD2 4.07Å; I601-F605 HydrophobicContact CG2-CE2 3.8Å; I601-F605 VanDerWaalsContact O-CD2 3.31Å; I601-F605 WeakPolarHBondContact O-CD2 3.4Å; I601-F605 PolarHBondContact O-N 3.34Å; I601-F605 VanDerWaalsContact O-N 3.14Å; I601-L641 HydrophobicContact CD1-CD2 4.24Å; I601-L641 HydrophobicContact CD1-CG 3.95Å; I601-L641 HydrophobicContact CG1-CD2 3.88Å; I601-L641 HydrophobicContact CG1-CG 4.15Å; I601-A645 HydrophobicContact CD1-CB 3.61Å
602D92.2Very high88.5Confident96 Ų9648.9 Ų48.951%0.51326%0.26SS..Hα-helixtrans-57.7-45.1175.5-66.2-26.7000110.8P598 L604 F605 E606P598-D602 PolarHBondContact O-N 3.15Å; D602-L604 VanDerWaalsContact C-N 3.32Å; D602-L604 PolarHBondContact O-N 3.36Å; D602-F605 PolarHBondContact O-N 3.01Å; D602-E606 PolarHBondContact O-N 3.22Å; D602-E606 VanDerWaalsContact O-N 3.16Å
603W93.4Very high86.9Confident4 Ų454.8 Ų54.82%0.01529%0.287CS..Hα-helixtrans-62.1-35.8173.6174.478.8000112.8I389 L394 A582 I585 N586 E599 L600 I601 F605 E606 A607I389-W603 HydrophobicContact CB-CZ2 4.38Å; I389-W603 HydrophobicContact CG1-CD2 4.22Å; I389-W603 HydrophobicContact CG1-CE3 4.42Å; I389-W603 HydrophobicContact CG1-CH2 4.14Å; I389-W603 HydrophobicContact CG1-CZ2 3.89Å; I389-W603 HydrophobicContact CG1-CZ3 4.37Å; I389-W603 HydrophobicContact CG2-CD2 4.15Å; I389-W603 HydrophobicContact CG2-CG 4.09Å; L394-W603 HydrophobicContact CD2-CB 4.39Å; A582-W603 HydrophobicContact CB-CZ3 4.11Å; I585-W603 HydrophobicContact CG2-CH2 4.25Å; N586-W603 WeakPolarHBondContact ND2-CH2 3.26Å; N586-W603 VanDerWaalsContact OD1-CH2 3.28Å; N586-W603 WeakPolarHBondContact OD1-CH2 3.39Å; E599-W603 WeakPolarHBondContact O-CB 3.31Å; E599-W603 PolarHBondContact O-N 3.29Å; L600-W603 HydrophobicContact CD1-CD2 4.38Å; L600-W603 HydrophobicContact CD1-CE3 3.64Å; L600-W603 HydrophobicContact CD1-CZ3 4.23Å; L600-W603 PolarHBondContact O-N 3.37Å; I601-W603 VanDerWaalsContact C-N 3.28Å; I601-W603 PolarHBondContact O-N 3.43Å; W603-F605 VanDerWaalsContact C-N 3.33Å; W603-F605 PolarHBondContact O-N 3.02Å; W603-E606 PolarHBondContact O-N 3.49Å; W603-A607 HydrophobicContact CD2-CB 4.25Å; W603-A607 HydrophobicContact CH2-CB 4.03Å; W603-A607 HydrophobicContact CZ2-CB 3.7Å; W603-A607 HydrophobicContact CZ3-CB 4.48Å; W603-A607 WeakPolarHBondContact O-CB 3.25Å; W603-A607 PolarHBondContact O-N 2.84Å
604L92.5Very high85.2Confident0 Ų058.9 Ų58.90%031%0.306CS..Hα-helixtrans-60.7-42.3175.7-71.7174.1000111.3T578 F581 A582 I585 L600 I601 D602 L608 L638 L641T578-L604 HydrophobicContact CG2-CD1 3.85Å; F581-L604 HydrophobicContact CB-CD1 4.1Å; F581-L604 HydrophobicContact CB-CD2 4.41Å; A582-L604 VanDerWaalsContact CA-CD2 3.48Å; A582-L604 HydrophobicContact CB-CD2 3.92Å; I585-L604 HydrophobicContact CD1-CB 4.32Å; I585-L604 HydrophobicContact CD1-CD2 3.64Å; I585-L604 HydrophobicContact CG1-CD2 4.44Å; L600-L604 VanDerWaalsContact O-CG 3.29Å; L600-L604 WeakPolarHBondContact O-CG 3.21Å; L600-L604 PolarHBondContact O-N 2.91Å; I601-L604 WeakPolarHBondContact O-CA 3.42Å; I601-L604 VanDerWaalsContact O-CB 3.32Å; I601-L604 WeakPolarHBondContact O-CB 3.31Å; I601-L604 PolarHBondContact O-N 2.98Å; D602-L604 VanDerWaalsContact C-N 3.32Å; D602-L604 PolarHBondContact O-N 3.36Å; L604-L608 WeakPolarHBondContact O-CB 3.38Å; L604-L608 PolarHBondContact O-N 3.03Å; L604-L638 HydrophobicContact CB-CD2 3.88Å; L604-L638 HydrophobicContact CB-CG 4.39Å; L604-L641 HydrophobicContact CD1-CD2 4.12Å
605F91.7Very high83.6Confident69 Ų6959.2 Ų59.230%0.30329%0.294SS..Hα-helixtrans-62.9-47.1176.7-81.1-80.5000111.7I601 D602 W603 L608 K609 L638I601-F605 HydrophobicContact CG2-CD2 4.07Å; I601-F605 HydrophobicContact CG2-CE2 3.8Å; I601-F605 VanDerWaalsContact O-CD2 3.31Å; I601-F605 WeakPolarHBondContact O-CD2 3.4Å; I601-F605 PolarHBondContact O-N 3.34Å; I601-F605 VanDerWaalsContact O-N 3.14Å; D602-F605 PolarHBondContact O-N 3.01Å; W603-F605 VanDerWaalsContact C-N 3.33Å; W603-F605 PolarHBondContact O-N 3.02Å; F605-L608 PolarHBondContact O-N 3.32Å; F605-K609 WeakPolarHBondContact O-CB 3.46Å; F605-K609 PolarHBondContact O-N 3.43Å; F605-L638 HydrophobicContact CD1-CB 4.37Å; F605-L638 HydrophobicContact CD1-CD2 3.99Å; F605-L638 HydrophobicContact CD2-CD2 4.26Å; F605-L638 HydrophobicContact CE1-CB 3.77Å; F605-L638 HydrophobicContact CE1-CD2 4.24Å; F605-L638 HydrophobicContact CE2-CB 4.15Å; F605-L638 HydrophobicContact CE2-CD2 4.47Å; F605-L638 HydrophobicContact CE2-CG 4.49Å; F605-L638 HydrophobicContact CG-CD2 4.02Å; F605-L638 HydrophobicContact CZ-CB 3.66Å; F605-L638 HydrophobicContact CZ-CD2 4.48Å; F605-L638 HydrophobicContact CZ-CG 4.44Å; F605-L638 WeakPolarHBondContact CZ-O 3.48Å
606E90.1Very high81.8Confident102 Ų10254.3 Ų54.348%0.47728%0.284SS..Hα-helixtrans-62.7-46.2177.6-68.3179.6176.600112H391 D602 W603 L608 K609 S610H391-E606 IonicContact CE1-OE2 3.5Å; H391-E606 PolarHBondContact CE1-OE2 3.28Å; H391-E606 IonicContact NE2-OE2 2.83Å; H391-E606 PolarHBondContact NE2-OE2 3.03Å; D602-E606 PolarHBondContact O-N 3.22Å; D602-E606 VanDerWaalsContact O-N 3.16Å; W603-E606 PolarHBondContact O-N 3.49Å; E606-L608 PolarHBondContact O-N 3.41Å; E606-K609 PolarHBondContact O-N 3.42Å; E606-S610 WeakPolarHBondContact O-CB 3.39Å; E606-S610 PolarHBondContact O-N 3.34Å
607A88.3Confident79.6Confident5 Ų561.4 Ų61.44%0.04132%0.322CS..Hα-helixtrans-65-40.9-179.900000111.4I585 W603 S610 K611I585-A607 HydrophobicContact CG2-CB 3.9Å; W603-A607 HydrophobicContact CD2-CB 4.25Å; W603-A607 HydrophobicContact CH2-CB 4.03Å; W603-A607 HydrophobicContact CZ2-CB 3.7Å; W603-A607 HydrophobicContact CZ3-CB 4.48Å; W603-A607 WeakPolarHBondContact O-CB 3.25Å; W603-A607 PolarHBondContact O-N 2.84Å; A607-S610 PolarHBondContact O-N 3.13Å; A607-S610 PolarHBondContact O-OG 2.99Å; A607-K611 WeakPolarHBondContact O-CG 3.37Å; A607-K611 PolarHBondContact O-N 3.22Å; A607-K611 VanDerWaalsContact O-N 3.15Å
608L87.5Confident77.3Confident23 Ų2364.7 Ų64.712%0.1235%0.345CS..Hα-helixtrans-63.4-45.3176.1-169.263.7000110.9I585 L604 F605 E606 K611 T612 L632 Q633 L638I585-L608 HydrophobicContact CD1-CB 4.11Å; I585-L608 HydrophobicContact CD1-CD1 4.28Å; L604-L608 WeakPolarHBondContact O-CB 3.38Å; L604-L608 PolarHBondContact O-N 3.03Å; F605-L608 PolarHBondContact O-N 3.32Å; E606-L608 PolarHBondContact O-N 3.41Å; L608-K611 PolarHBondContact O-N 3.03Å; L608-T612 PolarHBondContact O-N 3Å; L608-T612 VanDerWaalsContact O-N 3.14Å; L608-T612 PolarHBondContact O-OG1 3.1Å; L608-L632 HydrophobicContact CD1-CD2 4.25Å; L608-Q633 HydrophobicContact CD1-CG 3.67Å; L608-Q633 HydrophobicContact CD2-CG 4.37Å; L608-Q633 HydrophobicContact CG-CG 4.13Å; L608-L638 HydrophobicContact CD2-CD2 3.93Å
609K86Confident75.1Confident143 Ų14370.4 Ų70.462%0.62237%0.372SS*.Hα-helixtrans-61-45.7177.2-171.4179.3178.5-176.70112.1F605 E606 K611 T612 E613F605-K609 WeakPolarHBondContact O-CB 3.46Å; F605-K609 PolarHBondContact O-N 3.43Å; E606-K609 PolarHBondContact O-N 3.42Å; K609-K611 VanDerWaalsContact C-N 3.3Å; K609-K611 PolarHBondContact O-N 2.91Å; K609-T612 WeakPolarHBondContact O-CB 3.46Å; K609-T612 PolarHBondContact O-N 3.05Å; K609-E613 PolarHBondContact O-N 2.76Å
610S83.2Confident72.9Confident45 Ų4571.3 Ų71.332%0.31539%0.393SS..Hα-helixtrans-61.2-36.2178.774.20000113E606 A607 E613 L614E606-S610 WeakPolarHBondContact O-CB 3.39Å; E606-S610 PolarHBondContact O-N 3.34Å; A607-S610 PolarHBondContact O-N 3.13Å; A607-S610 PolarHBondContact O-OG 2.99Å; S610-E613 PolarHBondContact O-N 3.17Å; S610-L614 WeakPolarHBondContact O-CD1 3.28Å; S610-L614 PolarHBondContact O-N 3.31Å
611K78.6Confident70.9Confident33 Ų3377.1 Ų77.114%0.14342%0.418CS..Hα-helixtrans-74.3-32178.7-70.9-174.2-169.8-173.90112.4I585 A607 L608 K609 E613 L614 E615 L629I585-K611 VanDerWaalsContact C-NZ 3.31Å; I585-K611 HydrophobicContact CG2-CD 4.05Å; I585-K611 PolarHBondContact O-NZ 3.4Å; A607-K611 WeakPolarHBondContact O-CG 3.37Å; A607-K611 PolarHBondContact O-N 3.22Å; A607-K611 VanDerWaalsContact O-N 3.15Å; L608-K611 PolarHBondContact O-N 3.03Å; K609-K611 VanDerWaalsContact C-N 3.3Å; K609-K611 PolarHBondContact O-N 2.91Å; K611-E613 VanDerWaalsContact C-N 3.28Å; K611-E613 PolarHBondContact O-N 2.9Å; K611-L614 PolarHBondContact O-N 3.36Å; K611-E615 WeakPolarHBondContact O-CG 3.4Å; K611-E615 PolarHBondContact O-N 3.04Å; K611-L629 HydrophobicContact CD-CD1 4.46Å
612T65.9Low69.2Low74 Ų7480.3 Ų80.345%0.45444%0.441SS..Hα-helixtrans-59.8-39.3172.3-50.40000111.7L608 K609 Q633L608-T612 PolarHBondContact O-N 3Å; L608-T612 VanDerWaalsContact O-N 3.14Å; L608-T612 PolarHBondContact O-OG1 3.1Å; K609-T612 WeakPolarHBondContact O-CB 3.46Å; K609-T612 PolarHBondContact O-N 3.05Å; T612-Q633 PolarHBondContact OG1-NE2 3.34Å
613E58.3Low68.3Low128 Ų12882.5 Ų82.560%0.59845%0.453SS*.Hα-helixtrans-69-40.4178.3-66.5173.7-172.400111.9K609 S610 K611 S616K609-E613 PolarHBondContact O-N 2.76Å; S610-E613 PolarHBondContact O-N 3.17Å; K611-E613 VanDerWaalsContact C-N 3.28Å; K611-E613 PolarHBondContact O-N 2.9Å; E613-S616 PolarHBondContact O-OG 2.84Å
614L56Low67.8Low116 Ų11683 Ų8361%0.60746%0.457SS*.Hα-helixtrans-71.4-31.2-179.7-79.4155.3000114.3S610 K611 S616 N617S610-L614 WeakPolarHBondContact O-CD1 3.28Å; S610-L614 PolarHBondContact O-N 3.31Å; K611-L614 PolarHBondContact O-N 3.36Å; L614-S616 PolarHBondContact O-N 3.38Å; L614-N617 PolarHBondContact O-N 3.09Å; L614-N617 VanDerWaalsContact O-N 3.12Å
615E53.8Low67.4Low58 Ų5884.2 Ų84.227%0.27146%0.463SS..Hα-helixtrans-69-20.9-178.4-79.4-174.1-173.700113.4K611 N617K611-E615 WeakPolarHBondContact O-CG 3.4Å; K611-E615 PolarHBondContact O-N 3.04Å; E615-N617 PolarHBondContact O-N 3.44Å
616S49.9Very low67Low91 Ų9182.4 Ų82.464%0.63646%0.457SS*.THydrogen-bonded Turntrans-59.9-16170.465.80000113.2E613 L614E613-S616 PolarHBondContact O-OG 2.84Å; L614-S616 PolarHBondContact O-N 3.38Å
617N45.5Very low66.8Low152 Ų15280.2 Ų80.281%0.81345%0.451SS*.THydrogen-bonded Turntrans-129.36.8-172.5-83.4-25.6000117.2L614 E615L614-N617 PolarHBondContact O-N 3.09Å; L614-N617 VanDerWaalsContact O-N 3.12Å; E615-N617 PolarHBondContact O-N 3.44Å
618S44.4Very low66.7Low78 Ų7880 Ų8055%0.54545%0.449SS..  trans-143.5131.5-179.767.20000116.4
619N42.6Very low66.7Low179 Ų17979 Ų7996%0.95744%0.444SS*.  trans-110.525.4-168.4-121.50.7000113.8
620A45.8Very low66.8Low98 Ų9877.8 Ų77.881%0.8144%0.438SS*.  trans-13412.1-16400000117.4
621K49.7Very low67Low122 Ų12277.7 Ų77.753%0.5343%0.434SS..SBendtrans-87.6144.7167.1-80.7-179-179.8173.40110.3N623 V626K621-N623 PolarHBondContact O-N 3.4Å; K621-V626 HydrophobicContact CB-CG2 3.8Å
622S58.5Low67.6Low70 Ų7076.2 Ų76.249%0.4943%0.428SS..  trans-39.3124.8175.2177.40000111.5S624 H625 V626S622-S624 PolarHBondContact O-N 3.34Å; S622-S624 PolarHBondContact OG-OG 3.29Å; S622-H625 PolarHBondContact O-N 3.39Å; S622-V626 PolarHBondContact O-N 3.49Å
623N73Confident68.6Low143 Ų14375 Ų7577%0.76542%0.417SS*.Hα-helixtrans-50-31.9-177.7-73-11.1000112.6K621 T627K621-N623 PolarHBondContact O-N 3.4Å; N623-T627 WeakPolarHBondContact O-CB 3.39Å; N623-T627 PolarHBondContact O-N 3.19Å; N623-T627 PolarHBondContact O-OG1 2.97Å
624S81.8Confident70Confident15 Ų1573 Ų7311%0.10542%0.422CS..Hα-helixtrans-66.1-47.2176.848.20000113.8R539 S622 V626 T627 A628 Q681 A684R539-S624 PolarHBondContact NH2-OG 3.44Å; S622-S624 PolarHBondContact O-N 3.34Å; S622-S624 PolarHBondContact OG-OG 3.29Å; S624-V626 PolarHBondContact O-N 3Å; S624-T627 PolarHBondContact O-N 3.07Å; S624-A628 PolarHBondContact O-N 3.31Å; S624-Q681 WeakPolarHBondContact CB-O 3.5Å; S624-A684 WeakPolarHBondContact CB-OXT 3.42Å
625H84Confident71.5Confident24 Ų2468.5 Ų68.511%0.11140%0.401CS..Hα-helixtrans-64.4-42.7179.5-175-74.3000111.7I584 G587 S622 T627 A628 L629 L682I584-H625 PolarHBondContact O-NE2 3.34Å; G587-H625 WeakPolarHBondContact CA-NE2 3.49Å; G587-H625 PolarHBondContact N-NE2 2.87Å; S622-H625 PolarHBondContact O-N 3.39Å; H625-T627 VanDerWaalsContact C-N 3.32Å; H625-T627 PolarHBondContact O-N 2.92Å; H625-A628 PolarHBondContact O-N 3.41Å; H625-L629 VanDerWaalsContact CE1-CD1 3.47Å; H625-L629 WeakPolarHBondContact CE1-CD1 3.37Å; H625-L629 WeakPolarHBondContact ND1-CD1 3.3Å; H625-L629 PolarHBondContact O-N 3.25Å; H625-L682 HydrophobicContact CB-CD1 4.15Å
626V83.2Confident73Confident31 Ų3170.8 Ų70.819%0.18842%0.415CS..Hα-helixtrans-64.1-40.4177.2178.70000110.7K621 S622 S624 L629 K630K621-V626 HydrophobicContact CB-CG2 3.8Å; S622-V626 PolarHBondContact O-N 3.49Å; S624-V626 PolarHBondContact O-N 3Å; V626-L629 PolarHBondContact O-N 3.29Å; V626-K630 HydrophobicContact CG1-CD 4.28Å; V626-K630 WeakPolarHBondContact O-CG 3.45Å; V626-K630 PolarHBondContact O-N 3.03Å
627T86.2Confident74.9Confident57 Ų5766.5 Ų66.535%0.3539%0.385SS..Hα-helixtrans-64.5-43.1177.6-58.10000111.7N623 S624 H625 L629 K630 I631 Q681N623-T627 WeakPolarHBondContact O-CB 3.39Å; N623-T627 PolarHBondContact O-N 3.19Å; N623-T627 PolarHBondContact O-OG1 2.97Å; S624-T627 PolarHBondContact O-N 3.07Å; H625-T627 VanDerWaalsContact C-N 3.32Å; H625-T627 PolarHBondContact O-N 2.92Å; T627-L629 PolarHBondContact O-N 3.1Å; T627-K630 PolarHBondContact O-N 2.87Å; T627-I631 HydrophobicContact CG2-CD1 4.24Å; T627-I631 WeakPolarHBondContact O-CG1 3.43Å; T627-I631 PolarHBondContact O-N 3.38Å; T627-I631 VanDerWaalsContact O-N 3.11Å; T627-Q681 HydrophobicContact CG2-CB 4.41Å; T627-Q681 HydrophobicContact CG2-CG 4.36Å
628A87.5Confident77.1Confident0 Ų059.5 Ų59.50%035%0.347CS..Hα-helixtrans-62.6-41.417700000112.7I584 S624 H625 I631 L632 C678 Q681 L682I584-A628 HydrophobicContact CG2-CB 4.12Å; S624-A628 PolarHBondContact O-N 3.31Å; H625-A628 PolarHBondContact O-N 3.41Å; A628-I631 PolarHBondContact O-N 3.13Å; A628-L632 PolarHBondContact O-N 3.17Å; A628-L632 VanDerWaalsContact O-N 3.07Å; A628-C678 WeakPolarHBondContact CB-O 3.35Å; A628-C678 PolarHBondContact O-SG 3.31Å; A628-Q681 HydrophobicContact CB-CB 4.09Å; A628-L682 HydrophobicContact CB-CB 4Å
629L87.3Confident79.4Confident1 Ų159.3 Ų59.31%0.00534%0.34CS..Hα-helixtrans-61.8-45.2174.6-81.4175.8000112.1I585 K611 H625 V626 T627 I631 L632 Q633I585-L629 HydrophobicContact CG1-CD2 4.27Å; K611-L629 HydrophobicContact CD-CD1 4.46Å; H625-L629 VanDerWaalsContact CE1-CD1 3.47Å; H625-L629 WeakPolarHBondContact CE1-CD1 3.37Å; H625-L629 WeakPolarHBondContact ND1-CD1 3.3Å; H625-L629 PolarHBondContact O-N 3.25Å; V626-L629 PolarHBondContact O-N 3.29Å; T627-L629 PolarHBondContact O-N 3.1Å; L629-I631 VanDerWaalsContact C-N 3.3Å; L629-I631 PolarHBondContact O-N 2.64Å; L629-L632 WeakPolarHBondContact O-CB 3.46Å; L629-L632 PolarHBondContact O-N 2.66Å; L629-L632 VanDerWaalsContact O-N 3.15Å; L629-Q633 WeakPolarHBondContact O-CG 3.48Å; L629-Q633 PolarHBondContact O-N 2.94Å
630K87.5Confident81.7Confident118 Ų11851.7 Ų51.751%0.51330%0.299SS..Hα-helixtrans-61.3-38.1178.1-74.7178.4179.3-178.40112.7V626 T627 Q633 A634V626-K630 HydrophobicContact CG1-CD 4.28Å; V626-K630 WeakPolarHBondContact O-CG 3.45Å; V626-K630 PolarHBondContact O-N 3.03Å; T627-K630 PolarHBondContact O-N 2.87Å; K630-Q633 PolarHBondContact O-N 3.3Å; K630-A634 WeakPolarHBondContact O-CB 3.48Å; K630-A634 PolarHBondContact O-N 2.86Å
631I88.5Confident83.9Confident43 Ų4347 Ų4722%0.22126%0.261CS..Hα-helixtrans-65.1-44.8174.7-66.8165.5000110.3T627 A628 L629 Q633 A634 S635 Q677 C678 Q681T627-I631 HydrophobicContact CG2-CD1 4.24Å; T627-I631 WeakPolarHBondContact O-CG1 3.43Å; T627-I631 PolarHBondContact O-N 3.38Å; T627-I631 VanDerWaalsContact O-N 3.11Å; A628-I631 PolarHBondContact O-N 3.13Å; L629-I631 VanDerWaalsContact C-N 3.3Å; L629-I631 PolarHBondContact O-N 2.64Å; I631-Q633 VanDerWaalsContact C-N 3.32Å; I631-Q633 PolarHBondContact O-N 2.94Å; I631-A634 PolarHBondContact O-N 3.22Å; I631-S635 WeakPolarHBondContact O-CB 3.5Å; I631-S635 PolarHBondContact O-N 3.42Å; I631-S635 VanDerWaalsContact O-N 3.08Å; I631-S635 PolarHBondContact O-OG 3.33Å; I631-Q677 HydrophobicContact CG2-CB 4.48Å; I631-C678 VanDerWaalsContact CG2-SG 3.58Å; I631-Q681 HydrophobicContact CD1-CB 4.2Å; I631-Q681 HydrophobicContact CD1-CG 3.57Å
632L89.3Confident86Confident2 Ų242.7 Ų42.71%0.0125%0.246CC..Hα-helixtrans-59.2-45.3177.5-172.267.2000111F581 I584 I585 L608 A628 L629 S635 V637 L638 V674F581-L632 HydrophobicContact CD1-CD1 3.44Å; F581-L632 VanDerWaalsContact CD1-CD1 3.44Å; F581-L632 HydrophobicContact CE1-CD1 3.71Å; F581-L632 HydrophobicContact CG-CD1 4.08Å; I584-L632 HydrophobicContact CG2-CD2 4.17Å; I585-L632 HydrophobicContact CD1-CD2 4.12Å; I585-L632 HydrophobicContact CG1-CD2 3.76Å; L608-L632 HydrophobicContact CD1-CD2 4.25Å; A628-L632 PolarHBondContact O-N 3.17Å; A628-L632 VanDerWaalsContact O-N 3.07Å; L629-L632 WeakPolarHBondContact O-CB 3.46Å; L629-L632 PolarHBondContact O-N 2.66Å; L629-L632 VanDerWaalsContact O-N 3.15Å; L632-S635 PolarHBondContact O-N 3.01Å; L632-S635 PolarHBondContact O-OG 3.47Å; L632-V637 HydrophobicContact CD1-CG1 3.45Å; L632-V637 VanDerWaalsContact CD1-CG1 3.45Å; L632-L638 HydrophobicContact CD1-CD1 4.08Å; L632-L638 HydrophobicContact CD2-CD1 4.46Å; L632-L638 HydrophobicContact CG-CD1 4.34Å; L632-V674 HydrophobicContact CD1-CG1 4.47Å
633Q87.1Confident87.5Confident48 Ų4843.8 Ų43.822%0.22424%0.242CC..Hα-helixtrans-62.7-45.7177.1-71.3169.8-25.900112.8L608 T612 L629 K630 I631 S635L608-Q633 HydrophobicContact CD1-CG 3.67Å; L608-Q633 HydrophobicContact CD2-CG 4.37Å; L608-Q633 HydrophobicContact CG-CG 4.13Å; T612-Q633 PolarHBondContact OG1-NE2 3.34Å; L629-Q633 WeakPolarHBondContact O-CG 3.48Å; L629-Q633 PolarHBondContact O-N 2.94Å; K630-Q633 PolarHBondContact O-N 3.3Å; I631-Q633 VanDerWaalsContact C-N 3.32Å; I631-Q633 PolarHBondContact O-N 2.94Å; Q633-S635 VanDerWaalsContact C-N 3.27Å; Q633-S635 PolarHBondContact O-N 3.35Å
634A87.8Confident88.3Confident86 Ų8637 Ų3771%0.71121%0.205SC*.Hα-helixtrans-70.5-23.7-17700000113.4K630 I631K630-A634 WeakPolarHBondContact O-CB 3.48Å; K630-A634 PolarHBondContact O-N 2.86Å; I631-A634 PolarHBondContact O-N 3.22Å
635S87.3Confident88.7Confident23 Ų2336.8 Ų36.816%0.16120%0.204CC..Hα-helixtrans-79.5-20-174.668.60000115.1I631 L632 Q633 V637 H670I631-S635 WeakPolarHBondContact O-CB 3.5Å; I631-S635 PolarHBondContact O-N 3.42Å; I631-S635 VanDerWaalsContact O-N 3.08Å; I631-S635 PolarHBondContact O-OG 3.33Å; L632-S635 PolarHBondContact O-N 3.01Å; L632-S635 PolarHBondContact O-OG 3.47Å; Q633-S635 VanDerWaalsContact C-N 3.27Å; Q633-S635 PolarHBondContact O-N 3.35Å; S635-V637 PolarHBondContact O-N 3.4Å; S635-V637 WeakPolarHBondContact OG-CB 3.27Å; S635-V637 WeakPolarHBondContact OG-CG1 3.35Å; S635-V637 PolarHBondContact OG-N 3.05Å; S635-H670 PolarHBondContact O-CE1 2.88Å; S635-H670 VanDerWaalsContact O-CE1 3.3Å
636N85.7Confident88.9Confident106 Ų10640 Ų4057%0.56722%0.222SC*.THydrogen-bonded Turntrans50.624-168-64.4-17.7000114.2L638 D639N636-L638 PolarHBondContact O-N 2.89Å; N636-L638 VanDerWaalsContact O-N 3.16Å; N636-D639 WeakPolarHBondContact O-CB 3.29Å; N636-D639 PolarHBondContact O-N 3.49Å; N636-D639 VanDerWaalsContact O-N 3.1Å
637V91.3Very high89Confident0 Ų038.7 Ų38.70%021%0.214CC..Hα-helixtrans-64.5-22.2-175.674.40000113.7F581 L632 S635 D639 D640 L641 I671 V674F581-V637 HydrophobicContact CE1-CG1 4.04Å; F581-V637 HydrophobicContact CE2-CG1 4.1Å; F581-V637 HydrophobicContact CE2-CG2 4.21Å; F581-V637 HydrophobicContact CZ-CB 4.45Å; F581-V637 HydrophobicContact CZ-CG1 3.73Å; F581-V637 HydrophobicContact CZ-CG2 3.81Å; L632-V637 HydrophobicContact CD1-CG1 3.45Å; L632-V637 VanDerWaalsContact CD1-CG1 3.45Å; S635-V637 PolarHBondContact O-N 3.4Å; S635-V637 WeakPolarHBondContact OG-CB 3.27Å; S635-V637 WeakPolarHBondContact OG-CG1 3.35Å; S635-V637 PolarHBondContact OG-N 3.05Å; V637-D639 VanDerWaalsContact C-N 3.26Å; V637-D639 PolarHBondContact O-N 2.95Å; V637-D640 PolarHBondContact O-N 3.46Å; V637-L641 PolarHBondContact O-N 3.01Å; V637-I671 HydrophobicContact CG2-CB 4.2Å; V637-I671 HydrophobicContact CG2-CG1 3.74Å; V637-V674 HydrophobicContact CB-CB 4.24Å; V637-V674 HydrophobicContact CB-CG1 4.04Å; V637-V674 HydrophobicContact CB-CG2 4.24Å; V637-V674 HydrophobicContact CG1-CB 4.47Å; V637-V674 HydrophobicContact CG1-CG1 3.83Å; V637-V674 HydrophobicContact CG2-CB 4.01Å; V637-V674 HydrophobicContact CG2-CG1 4.28Å; V637-V674 HydrophobicContact CG2-CG2 4.18Å
638L90.4Very high89.1Confident6 Ų637 Ų373%0.03120%0.203CC..Hα-helixtrans-64.4-32.1175.8-104.665.4000111.8L604 F605 L608 L632 N636 L641 S642L604-L638 HydrophobicContact CB-CD2 3.88Å; L604-L638 HydrophobicContact CB-CG 4.39Å; F605-L638 HydrophobicContact CD1-CB 4.37Å; F605-L638 HydrophobicContact CD1-CD2 3.99Å; F605-L638 HydrophobicContact CD2-CD2 4.26Å; F605-L638 HydrophobicContact CE1-CB 3.77Å; F605-L638 HydrophobicContact CE1-CD2 4.24Å; F605-L638 HydrophobicContact CE2-CB 4.15Å; F605-L638 HydrophobicContact CE2-CD2 4.47Å; F605-L638 HydrophobicContact CE2-CG 4.49Å; F605-L638 HydrophobicContact CG-CD2 4.02Å; F605-L638 HydrophobicContact CZ-CB 3.66Å; F605-L638 HydrophobicContact CZ-CD2 4.48Å; F605-L638 HydrophobicContact CZ-CG 4.44Å; F605-L638 WeakPolarHBondContact CZ-O 3.48Å; L608-L638 HydrophobicContact CD2-CD2 3.93Å; L632-L638 HydrophobicContact CD1-CD1 4.08Å; L632-L638 HydrophobicContact CD2-CD1 4.46Å; L632-L638 HydrophobicContact CG-CD1 4.34Å; N636-L638 PolarHBondContact O-N 2.89Å; N636-L638 VanDerWaalsContact O-N 3.16Å; L638-L641 PolarHBondContact O-N 3.23Å; L638-S642 WeakPolarHBondContact O-CB 3.32Å; L638-S642 PolarHBondContact O-N 2.9Å
639D92.2Very high89Confident73 Ų7340 Ų4039%0.3922%0.224SC..Hα-helixtrans-67.3-42.2175.4-64.5-49.3000110.8N636 V637 L641 S642 K643N636-D639 WeakPolarHBondContact O-CB 3.29Å; N636-D639 PolarHBondContact O-N 3.49Å; N636-D639 VanDerWaalsContact O-N 3.1Å; V637-D639 VanDerWaalsContact C-N 3.26Å; V637-D639 PolarHBondContact O-N 2.95Å; D639-L641 VanDerWaalsContact C-N 3.35Å; D639-S642 PolarHBondContact O-N 2.56Å; D639-K643 WeakPolarHBondContact O-CG 3.39Å; D639-K643 PolarHBondContact O-N 3.45Å
640D92Very high88.8Confident19 Ų1945.2 Ų45.210%0.10225%0.248CC..Hα-helixtrans-65.3-40175.4-68.9-16.3000111.4V637 S642 K643 V644 Y667 H670 I671V637-D640 PolarHBondContact O-N 3.46Å; D640-S642 VanDerWaalsContact C-N 3.33Å; D640-S642 PolarHBondContact O-N 3.42Å; D640-K643 PolarHBondContact O-N 2.86Å; D640-K643 IonicContact OD1-NZ 3.69Å; D640-V644 WeakPolarHBondContact O-CG2 3.28Å; D640-V644 PolarHBondContact O-N 3.46Å; D640-Y667 HydrophobicContact CB-CD1 3.98Å; D640-Y667 HydrophobicContact CB-CG 4.22Å; D640-Y667 VanDerWaalsContact CG-CD1 3.44Å; D640-Y667 WeakPolarHBondContact OD1-CD1 3.32Å; D640-Y667 WeakPolarHBondContact OD1-CE1 3.38Å; D640-H670 IonicContact OD2-CE1 3.62Å; D640-H670 IonicContact OD2-CG 3.69Å; D640-H670 IonicContact OD2-ND1 2.71Å; D640-H670 PolarHBondContact OD2-ND1 3.18Å; D640-I671 HydrophobicContact CB-CD1 4.36Å; D640-I671 HydrophobicContact CB-CG1 4.28Å
641L92.2Very high88.5Confident0 Ų041.7 Ų41.70%023%0.233CC..Hα-helixtrans-60.7-43174.2-174.767.3000111.7T574 A577 F581 I601 L604 V637 L638 D639 V644 A645 I671T574-L641 HydrophobicContact CG2-CD1 3.85Å; A577-L641 HydrophobicContact CB-CD1 3.85Å; F581-L641 HydrophobicContact CD2-CD2 3.94Å; F581-L641 HydrophobicContact CE2-CD2 4.37Å; I601-L641 HydrophobicContact CD1-CD2 4.24Å; I601-L641 HydrophobicContact CD1-CG 3.95Å; I601-L641 HydrophobicContact CG1-CD2 3.88Å; I601-L641 HydrophobicContact CG1-CG 4.15Å; L604-L641 HydrophobicContact CD1-CD2 4.12Å; V637-L641 PolarHBondContact O-N 3.01Å; L638-L641 PolarHBondContact O-N 3.23Å; D639-L641 VanDerWaalsContact C-N 3.35Å; L641-V644 PolarHBondContact O-N 3.44Å; L641-A645 WeakPolarHBondContact O-CB 3.48Å; L641-A645 PolarHBondContact O-N 3.43Å; L641-I671 HydrophobicContact CB-CD1 4.34Å; L641-I671 HydrophobicContact CD1-CD1 4.24Å
642S92.4Very high88.3Confident31 Ų3144.7 Ų44.722%0.21725%0.253CS..Hα-helixtrans-63.8-44.5176.3-176.80000111.9L638 D639 D640 V644 A645 N646L638-S642 WeakPolarHBondContact O-CB 3.32Å; L638-S642 PolarHBondContact O-N 2.9Å; D639-S642 PolarHBondContact O-N 2.56Å; D640-S642 VanDerWaalsContact C-N 3.33Å; D640-S642 PolarHBondContact O-N 3.42Å; S642-V644 PolarHBondContact O-N 2.91Å; S642-A645 PolarHBondContact O-N 2.84Å; S642-N646 WeakPolarHBondContact O-CB 3.21Å; S642-N646 VanDerWaalsContact O-CG 3.3Å; S642-N646 PolarHBondContact O-N 3.07Å; S642-N646 PolarHBondContact O-ND2 3Å
643K90.4Very high87.8Confident94 Ų9455.7 Ų55.741%0.40929%0.294SS..Hα-helixtrans-58.5-44.7174.8-70.9171.7-168.21660112.2D639 D640 N646 Y647 Y667D639-K643 WeakPolarHBondContact O-CG 3.39Å; D639-K643 PolarHBondContact O-N 3.45Å; D640-K643 PolarHBondContact O-N 2.86Å; D640-K643 IonicContact OD1-NZ 3.69Å; K643-N646 PolarHBondContact O-N 3.42Å; K643-Y647 PolarHBondContact O-N 2.97Å; K643-Y667 HydrophobicContact CB-CD2 4.32Å; K643-Y667 HydrophobicContact CB-CE2 4.21Å; K643-Y667 HydrophobicContact CD-CD2 4.39Å; K643-Y667 HydrophobicContact CD-CE1 4.12Å; K643-Y667 HydrophobicContact CD-CE2 3.74Å; K643-Y667 PolarHBondContact NZ-OH 3.37Å
644V89.9Confident87.1Confident0 Ų056.6 Ų56.60%031%0.306CS..Hα-helixtrans-66.3-39.3177.5-179.60000111.1A570 T574 D640 L641 S642 Y647 I648 I664 Y667 L668 I671A570-V644 HydrophobicContact CB-CG1 4.1Å; T574-V644 WeakPolarHBondContact OG1-CG1 3.37Å; D640-V644 WeakPolarHBondContact O-CG2 3.28Å; D640-V644 PolarHBondContact O-N 3.46Å; L641-V644 PolarHBondContact O-N 3.44Å; S642-V644 PolarHBondContact O-N 2.91Å; V644-Y647 PolarHBondContact O-N 3.28Å; V644-I648 HydrophobicContact CG1-CD1 4.18Å; V644-I648 WeakPolarHBondContact O-CD1 3.28Å; V644-I648 VanDerWaalsContact O-CG1 3.28Å; V644-I648 WeakPolarHBondContact O-CG1 3.17Å; V644-I648 PolarHBondContact O-N 2.97Å; V644-I664 HydrophobicContact CG1-CG2 4.47Å; V644-I664 HydrophobicContact CG2-CG2 4.45Å; V644-Y667 HydrophobicContact CG2-CD2 4.39Å; V644-L668 HydrophobicContact CG1-CD2 4.11Å; V644-L668 HydrophobicContact CG2-CD2 4.41Å; V644-I671 HydrophobicContact CG2-CD1 4.21Å
645A89.7Confident86.2Confident10 Ų1054.9 Ų54.98%0.08330%0.296CS..Hα-helixtrans-64.2-38.4175.500000112.7T574 I601 L641 S642 I648 S649T574-A645 HydrophobicContact CG2-CB 4.21Å; I601-A645 HydrophobicContact CD1-CB 3.61Å; L641-A645 WeakPolarHBondContact O-CB 3.48Å; L641-A645 PolarHBondContact O-N 3.43Å; S642-A645 PolarHBondContact O-N 2.84Å; A645-I648 PolarHBondContact O-N 3.43Å; A645-S649 PolarHBondContact O-N 3.5Å; A645-S649 PolarHBondContact O-OG 2.77Å
646N88.5Confident84.9Confident91 Ų9158.9 Ų58.949%0.48732%0.316SS..Hα-helixtrans-65.9-45.8174.2-70.8-26.4000111.2S642 K643 I648 S649 E650S642-N646 WeakPolarHBondContact O-CB 3.21Å; S642-N646 VanDerWaalsContact O-CG 3.3Å; S642-N646 PolarHBondContact O-N 3.07Å; S642-N646 PolarHBondContact O-ND2 3Å; K643-N646 PolarHBondContact O-N 3.42Å; N646-I648 VanDerWaalsContact C-N 3.31Å; N646-I648 PolarHBondContact O-N 2.92Å; N646-S649 WeakPolarHBondContact O-CB 3.5Å; N646-S649 PolarHBondContact O-N 3.28Å; N646-S649 VanDerWaalsContact O-N 3.09Å; N646-E650 WeakPolarHBondContact O-CG 3.24Å; N646-E650 PolarHBondContact O-N 3.25Å
647Y86.6Confident83.5Confident4 Ų454.8 Ų54.82%0.01630%0.295CS..Hα-helixtrans-54.4-46.3173.3167.2-98.6000112.2K643 V644 S649 E650 K651 V657 I664K643-Y647 PolarHBondContact O-N 2.97Å; V644-Y647 PolarHBondContact O-N 3.28Å; Y647-S649 VanDerWaalsContact C-N 3.32Å; Y647-S649 PolarHBondContact O-N 3.48Å; Y647-E650 PolarHBondContact O-N 3.21Å; Y647-K651 VanDerWaalsContact O-CB 3.26Å; Y647-K651 WeakPolarHBondContact O-CB 3.45Å; Y647-K651 PolarHBondContact O-N 3.38Å; Y647-V657 HydrophobicContact CD2-CB 4.49Å; Y647-V657 HydrophobicContact CD2-CG1 4.05Å; Y647-V657 HydrophobicContact CD2-CG2 4.44Å; Y647-V657 HydrophobicContact CE2-CB 3.89Å; Y647-V657 HydrophobicContact CE2-CG1 3.72Å; Y647-V657 HydrophobicContact CE2-CG2 4.16Å; Y647-I664 HydrophobicContact CD1-CD1 3.53Å; Y647-I664 HydrophobicContact CD1-CG1 4.26Å; Y647-I664 HydrophobicContact CD2-CD1 3.16Å; Y647-I664 HydrophobicContact CD2-CG1 4.24Å; Y647-I664 HydrophobicContact CE1-CD1 3.59Å; Y647-I664 HydrophobicContact CE2-CD1 3.18Å; Y647-I664 HydrophobicContact CG-CD1 3.3Å; Y647-I664 HydrophobicContact CG-CG1 4.03Å
648I87.1Confident81.7Confident23 Ų2362.4 Ų62.412%0.11833%0.328CS..Hα-helixtrans-59.1-47.1177.1-68.8161.8000110.1L567 A570 T571 T574 V644 A645 N646 E650 K651 V652L567-I648 HydrophobicContact CD1-CG1 4.46Å; L567-I648 HydrophobicContact CD1-CG2 4.17Å; A570-I648 HydrophobicContact CB-CD1 3.99Å; A570-I648 HydrophobicContact CB-CG1 3.9Å; T571-I648 HydrophobicContact CG2-CD1 4.09Å; T571-I648 HydrophobicContact CG2-CG1 4.19Å; T571-I648 HydrophobicContact CG2-CG2 3.62Å; T574-I648 HydrophobicContact CG2-CD1 4.33Å; V644-I648 HydrophobicContact CG1-CD1 4.18Å; V644-I648 WeakPolarHBondContact O-CD1 3.28Å; V644-I648 VanDerWaalsContact O-CG1 3.28Å; V644-I648 WeakPolarHBondContact O-CG1 3.17Å; V644-I648 PolarHBondContact O-N 2.97Å; A645-I648 PolarHBondContact O-N 3.43Å; N646-I648 VanDerWaalsContact C-N 3.31Å; N646-I648 PolarHBondContact O-N 2.92Å; I648-E650 PolarHBondContact O-N 3.39Å; I648-K651 PolarHBondContact O-N 2.99Å; I648-V652 HydrophobicContact CG2-CG2 4.39Å; I648-V652 WeakPolarHBondContact O-CB 3.39Å; I648-V652 WeakPolarHBondContact O-CG2 3.43Å; I648-V652 PolarHBondContact O-N 3.23Å
649S85.8Confident79.9Confident62 Ų6269.4 Ų69.443%0.43437%0.366SS..Hα-helixtrans-63.5-41.4-178.5-58.80000112A645 N646 Y647 R653A645-S649 PolarHBondContact O-N 3.5Å; A645-S649 PolarHBondContact O-OG 2.77Å; N646-S649 WeakPolarHBondContact O-CB 3.5Å; N646-S649 PolarHBondContact O-N 3.28Å; N646-S649 VanDerWaalsContact O-N 3.09Å; Y647-S649 VanDerWaalsContact C-N 3.32Å; Y647-S649 PolarHBondContact O-N 3.48Å; S649-R653 WeakPolarHBondContact O-CB 3.38Å; S649-R653 PolarHBondContact O-N 3.39Å
650E83.5Confident78.6Confident111 Ų11170.3 Ų70.352%0.51937%0.367SS..Hα-helixtrans-67-47.6175.2-72.1-167.6167.700111.7N646 Y647 I648 V652 R653 S654N646-E650 WeakPolarHBondContact O-CG 3.24Å; N646-E650 PolarHBondContact O-N 3.25Å; Y647-E650 PolarHBondContact O-N 3.21Å; I648-E650 PolarHBondContact O-N 3.39Å; E650-V652 VanDerWaalsContact C-N 3.3Å; E650-V652 PolarHBondContact O-N 3.38Å; E650-R653 CarbonylContact O-C 3.57Å; E650-R653 PolarHBondContact O-N 3.16Å; E650-S654 PolarHBondContact O-N 3Å; E650-S654 PolarHBondContact O-OG 2.93Å
651K81.4Confident77.5Confident44 Ų4473.9 Ų73.919%0.19138%0.384CS..Hα-helixtrans-61-39.5179.7-166.769.6165.2-176.10111.9L567 Y647 I648 R653 G655 V657L567-K651 HydrophobicContact CD1-CB 4.24Å; L567-K651 HydrophobicContact CD1-CG 4.24Å; L567-K651 HydrophobicContact CD2-CG 4.47Å; Y647-K651 VanDerWaalsContact O-CB 3.26Å; Y647-K651 WeakPolarHBondContact O-CB 3.45Å; Y647-K651 PolarHBondContact O-N 3.38Å; I648-K651 PolarHBondContact O-N 2.99Å; K651-R653 VanDerWaalsContact C-N 3.29Å; K651-R653 PolarHBondContact O-N 3.14Å; K651-G655 WeakPolarHBondContact O-CA 3.39Å; K651-G655 PolarHBondContact O-N 3.5Å; K651-G655 VanDerWaalsContact O-N 3.12Å; K651-V657 HydrophobicContact CB-CG2 4.25Å; K651-V657 HydrophobicContact CD-CB 3.9Å; K651-V657 HydrophobicContact CD-CG2 3.66Å; K651-V657 PolarHBondContact NZ-O 3.47Å; K651-V657 VanDerWaalsContact NZ-O 3.16Å
652V83.1Confident76.4Confident105 Ų10578.5 Ų78.564%0.63642%0.416SS*.Hα-helixtrans-65.8-31.6174.6170.80000111.7L567 I648 E650L567-V652 HydrophobicContact CD1-CG2 4.31Å; L567-V652 HydrophobicContact CD2-CG2 4.47Å; I648-V652 HydrophobicContact CG2-CG2 4.39Å; I648-V652 WeakPolarHBondContact O-CB 3.39Å; I648-V652 WeakPolarHBondContact O-CG2 3.43Å; I648-V652 PolarHBondContact O-N 3.23Å; E650-V652 VanDerWaalsContact C-N 3.3Å; E650-V652 PolarHBondContact O-N 3.38Å
653R80.4Confident76Confident233 Ų23381.1 Ų81.188%0.87943%0.428SS*.Hα-helixtrans-86.7-44.4-178.5-172.3178.8-178.8177.50.6114S649 E650 K651S649-R653 WeakPolarHBondContact O-CB 3.38Å; S649-R653 PolarHBondContact O-N 3.39Å; E650-R653 CarbonylContact O-C 3.57Å; E650-R653 PolarHBondContact O-N 3.16Å; K651-R653 VanDerWaalsContact C-N 3.29Å; K651-R653 PolarHBondContact O-N 3.14Å
654S72Confident75.7Confident68 Ų6876.8 Ų76.848%0.47641%0.409SS..Hα-helixtrans-97.3-18.2-170.4700000113.7E650 N656E650-S654 PolarHBondContact O-N 3Å; E650-S654 PolarHBondContact O-OG 2.93Å; S654-N656 PolarHBondContact O-N 3.41Å; S654-N656 PolarHBondContact OG-O 3.49Å; S654-N656 VanDerWaalsContact OG-O 3.05Å
655G68.3Low75.5Confident49 Ų4980 Ų8051%0.50542%0.424SS..SBendtrans68.9-22.7-174.600000114.7K651K651-G655 WeakPolarHBondContact O-CA 3.39Å; K651-G655 PolarHBondContact O-N 3.5Å; K651-G655 VanDerWaalsContact O-N 3.12Å
656N60Low75.4Confident108 Ų10882 Ų8258%0.57844%0.44SS*.  trans-125.2118-175.4-80.4-17.7000110.8S654 F658S654-N656 PolarHBondContact O-N 3.41Å; S654-N656 PolarHBondContact OG-O 3.49Å; S654-N656 VanDerWaalsContact OG-O 3.05Å; N656-F658 HydrophobicContact CB-CD2 4.26Å; N656-F658 HydrophobicContact CB-CE2 3.8Å
657V56.5Low75.5Confident20 Ų2080.6 Ų80.612%0.12143%0.428CS..  trans-136.1116.5164.6-177.30000104.2Y647 K651 E660Y647-V657 HydrophobicContact CD2-CB 4.49Å; Y647-V657 HydrophobicContact CD2-CG1 4.05Å; Y647-V657 HydrophobicContact CD2-CG2 4.44Å; Y647-V657 HydrophobicContact CE2-CB 3.89Å; Y647-V657 HydrophobicContact CE2-CG1 3.72Å; Y647-V657 HydrophobicContact CE2-CG2 4.16Å; K651-V657 HydrophobicContact CB-CG2 4.25Å; K651-V657 HydrophobicContact CD-CB 3.9Å; K651-V657 HydrophobicContact CD-CG2 3.66Å; K651-V657 PolarHBondContact NZ-O 3.47Å; K651-V657 VanDerWaalsContact NZ-O 3.16Å; V657-E660 HydrophobicContact CG1-CB 4.35Å
658F52.9Low75.6Confident160 Ų16080.5 Ų80.570%0.70243%0.428SS*.  trans-102.2-23.2-169.9-80.4-78.6000114N656N656-F658 HydrophobicContact CB-CD2 4.26Å; N656-F658 HydrophobicContact CB-CE2 3.8Å
659D54.2Low75.8Confident153 Ų15384.7 Ų84.782%0.81845%0.446SS*.SBendtrans-119-2.9-163.3-71.2-37.7000116.7
660E64.2Low76.2Confident91 Ų9185 Ų8543%0.42544%0.44SS..  trans-108.72.9-170.4-63.6-169166.100116V657 S662 D663 I664V657-E660 HydrophobicContact CG1-CB 4.35Å; E660-S662 VanDerWaalsContact C-N 3.33Å; E660-S662 PolarHBondContact O-N 2.88Å; E660-D663 PolarHBondContact O-N 2.8Å; E660-D663 VanDerWaalsContact O-N 3.17Å; E660-I664 HydrophobicContact CB-CD1 4.09Å; E660-I664 VanDerWaalsContact O-CD1 3.27Å; E660-I664 WeakPolarHBondContact O-CD1 3.33Å; E660-I664 WeakPolarHBondContact O-CG1 3.13Å; E660-I664 PolarHBondContact O-N 3.35Å; E660-I664 VanDerWaalsContact O-N 3.13Å
661E68.6Low76.7Confident95 Ų9579.7 Ų79.744%0.44442%0.415SS..Hα-helixtrans-61.6-36.9-170.9-63.8-165.8164.200114L566 Q665L566-E661 HydrophobicContact CD2-CB 3.85Å; L566-E661 HydrophobicContact CD2-CG 3.76Å; E661-Q665 WeakPolarHBondContact O-CG 3.49Å; E661-Q665 PolarHBondContact O-N 3.15Å
662S70.1Confident77.2Confident97 Ų9778.7 Ų78.768%0.67841%0.412SS*.Hα-helixtrans-67.4-38.5178.9-62.20000112E660 Q665 A666E660-S662 VanDerWaalsContact C-N 3.33Å; E660-S662 PolarHBondContact O-N 2.88Å; S662-Q665 PolarHBondContact O-N 2.8Å; S662-A666 PolarHBondContact O-N 3.45Å
663D83Confident77.7Confident86 Ų8677.6 Ų77.646%0.4640%0.402SS..Hα-helixtrans-70.9-39.6-178.8-67.8-26.1000110.9E660 Q665 A666 Y667E660-D663 PolarHBondContact O-N 2.8Å; E660-D663 VanDerWaalsContact O-N 3.17Å; D663-Q665 VanDerWaalsContact C-N 3.33Å; D663-Q665 PolarHBondContact O-N 3.47Å; D663-A666 WeakPolarHBondContact O-CA 3.47Å; D663-A666 WeakPolarHBondContact O-CB 3.46Å; D663-A666 PolarHBondContact O-N 3.16Å; D663-Y667 HydrophobicContact CB-CE2 4.02Å; D663-Y667 WeakPolarHBondContact O-CD2 3.45Å; D663-Y667 VanDerWaalsContact O-CG 3.31Å; D663-Y667 PolarHBondContact O-N 3.29Å
664I84.8Confident78.4Confident3 Ų366.7 Ų66.72%0.01536%0.362CS..Hα-helixtrans-62.2-41.7176.7-64.9153.5000111.2L566 V644 Y647 E660 A666 Y667 L668L566-I664 HydrophobicContact CD1-CG2 4.47Å; L566-I664 HydrophobicContact CD2-CD1 4.41Å; L566-I664 HydrophobicContact CD2-CG2 4.5Å; V644-I664 HydrophobicContact CG1-CG2 4.47Å; V644-I664 HydrophobicContact CG2-CG2 4.45Å; Y647-I664 HydrophobicContact CD1-CD1 3.53Å; Y647-I664 HydrophobicContact CD1-CG1 4.26Å; Y647-I664 HydrophobicContact CD2-CD1 3.16Å; Y647-I664 HydrophobicContact CD2-CG1 4.24Å; Y647-I664 HydrophobicContact CE1-CD1 3.59Å; Y647-I664 HydrophobicContact CE2-CD1 3.18Å; Y647-I664 HydrophobicContact CG-CD1 3.3Å; Y647-I664 HydrophobicContact CG-CG1 4.03Å; E660-I664 HydrophobicContact CB-CD1 4.09Å; E660-I664 VanDerWaalsContact O-CD1 3.27Å; E660-I664 WeakPolarHBondContact O-CD1 3.33Å; E660-I664 WeakPolarHBondContact O-CG1 3.13Å; E660-I664 PolarHBondContact O-N 3.35Å; E660-I664 VanDerWaalsContact O-N 3.13Å; I664-A666 VanDerWaalsContact C-N 3.27Å; I664-A666 PolarHBondContact O-N 3.44Å; I664-Y667 PolarHBondContact O-N 3.1Å; I664-L668 HydrophobicContact CG2-CD1 4.08Å; I664-L668 HydrophobicContact CG2-CG 4.31Å; I664-L668 WeakPolarHBondContact O-CB 3.4Å; I664-L668 VanDerWaalsContact O-CG 3.27Å; I664-L668 WeakPolarHBondContact O-CG 3.39Å; I664-L668 PolarHBondContact O-N 2.71Å
665Q84.8Confident79.3Confident67 Ų6763.5 Ų63.531%0.31334%0.339SS..Hα-helixtrans-63.8-33.8175.1-71.1-172.68.200112.4L566 E661 S662 D663 K669L566-Q665 HydrophobicContact CD1-CG 4.35Å; E661-Q665 WeakPolarHBondContact O-CG 3.49Å; E661-Q665 PolarHBondContact O-N 3.15Å; S662-Q665 PolarHBondContact O-N 2.8Å; D663-Q665 VanDerWaalsContact C-N 3.33Å; D663-Q665 PolarHBondContact O-N 3.47Å; Q665-K669 VanDerWaalsContact O-CG 3.31Å; Q665-K669 WeakPolarHBondContact O-CG 3.31Å; Q665-K669 PolarHBondContact O-N 3.33Å; Q665-K669 VanDerWaalsContact O-N 3.16Å
666A87.7Confident80.5Confident51 Ų5162.4 Ų62.442%0.42132%0.322SS..Hα-helixtrans-68.3-46.5174.700000111.2S662 D663 I664 L668 K669 H670S662-A666 PolarHBondContact O-N 3.45Å; D663-A666 WeakPolarHBondContact O-CA 3.47Å; D663-A666 WeakPolarHBondContact O-CB 3.46Å; D663-A666 PolarHBondContact O-N 3.16Å; I664-A666 VanDerWaalsContact C-N 3.27Å; I664-A666 PolarHBondContact O-N 3.44Å; A666-L668 PolarHBondContact O-N 3.3Å; A666-K669 PolarHBondContact O-N 2.9Å; A666-H670 PolarHBondContact O-N 2.78Å
667Y90.4Very high82.1Confident62 Ų6261.1 Ų61.124%0.24331%0.312CS..Hα-helixtrans-58.7-46.2175.2-62.5-37.1000112D640 K643 V644 D663 I664 K669 H670 I671D640-Y667 HydrophobicContact CB-CD1 3.98Å; D640-Y667 HydrophobicContact CB-CG 4.22Å; D640-Y667 VanDerWaalsContact CG-CD1 3.44Å; D640-Y667 WeakPolarHBondContact OD1-CD1 3.32Å; D640-Y667 WeakPolarHBondContact OD1-CE1 3.38Å; K643-Y667 HydrophobicContact CB-CD2 4.32Å; K643-Y667 HydrophobicContact CB-CE2 4.21Å; K643-Y667 HydrophobicContact CD-CD2 4.39Å; K643-Y667 HydrophobicContact CD-CE1 4.12Å; K643-Y667 HydrophobicContact CD-CE2 3.74Å; K643-Y667 PolarHBondContact NZ-OH 3.37Å; V644-Y667 HydrophobicContact CG2-CD2 4.39Å; D663-Y667 HydrophobicContact CB-CE2 4.02Å; D663-Y667 WeakPolarHBondContact O-CD2 3.45Å; D663-Y667 VanDerWaalsContact O-CG 3.31Å; D663-Y667 PolarHBondContact O-N 3.29Å; I664-Y667 PolarHBondContact O-N 3.1Å; Y667-K669 VanDerWaalsContact C-N 3.33Å; Y667-K669 PolarHBondContact O-N 3.15Å; Y667-H670 PolarHBondContact O-N 3.27Å; Y667-I671 WeakPolarHBondContact O-CB 3.15Å; Y667-I671 WeakPolarHBondContact O-CD1 3.46Å; Y667-I671 VanDerWaalsContact O-CG1 3.24Å; Y667-I671 WeakPolarHBondContact O-CG1 3.19Å; Y667-I671 PolarHBondContact O-N 3.06Å
668L90.1Very high83.7Confident2 Ų260.2 Ų60.21%0.0131%0.306CS..Hα-helixtrans-61.5-38.4177.5-74.6178.8000113.1V557 V569 A573 V644 I664 A666 L672V557-L668 HydrophobicContact CG2-CB 4.14Å; V569-L668 HydrophobicContact CG1-CD1 4.34Å; A573-L668 HydrophobicContact CB-CD2 3.63Å; V644-L668 HydrophobicContact CG1-CD2 4.11Å; V644-L668 HydrophobicContact CG2-CD2 4.41Å; I664-L668 HydrophobicContact CG2-CD1 4.08Å; I664-L668 HydrophobicContact CG2-CG 4.31Å; I664-L668 WeakPolarHBondContact O-CB 3.4Å; I664-L668 VanDerWaalsContact O-CG 3.27Å; I664-L668 WeakPolarHBondContact O-CG 3.39Å; I664-L668 PolarHBondContact O-N 2.71Å; A666-L668 PolarHBondContact O-N 3.3Å; L668-L672 WeakPolarHBondContact O-CB 3.32Å; L668-L672 PolarHBondContact O-N 3.01Å
669K90.1Very high85.6Confident112 Ų11254 Ų5449%0.48728%0.278SS..Hα-helixtrans-66.2-41.6174.6-76.2171.2-170.8160.20111.7V557 Q665 A666 Y667 L672 D673V557-K669 HydrophobicContact CG1-CG 4.27Å; Q665-K669 VanDerWaalsContact O-CG 3.31Å; Q665-K669 WeakPolarHBondContact O-CG 3.31Å; Q665-K669 PolarHBondContact O-N 3.33Å; Q665-K669 VanDerWaalsContact O-N 3.16Å; A666-K669 PolarHBondContact O-N 2.9Å; Y667-K669 VanDerWaalsContact C-N 3.33Å; Y667-K669 PolarHBondContact O-N 3.15Å; K669-L672 PolarHBondContact O-N 3.41Å; K669-D673 PolarHBondContact O-N 3.42Å
670H93.4Very high87.4Confident67 Ų6754.2 Ų54.231%0.3127%0.268SS..Hα-helixtrans-65.1-45.3177.4-176.1-132000111.5S635 D640 A666 Y667 L672 D673 V674S635-H670 PolarHBondContact O-CE1 2.88Å; S635-H670 VanDerWaalsContact O-CE1 3.3Å; D640-H670 IonicContact OD2-CE1 3.62Å; D640-H670 IonicContact OD2-CG 3.69Å; D640-H670 IonicContact OD2-ND1 2.71Å; D640-H670 PolarHBondContact OD2-ND1 3.18Å; A666-H670 PolarHBondContact O-N 2.78Å; Y667-H670 PolarHBondContact O-N 3.27Å; H670-L672 VanDerWaalsContact C-N 3.29Å; H670-L672 PolarHBondContact O-N 3.06Å; H670-D673 PolarHBondContact O-N 3.46Å; H670-V674 WeakPolarHBondContact O-CG2 3.42Å; H670-V674 PolarHBondContact O-N 3.39Å
671I94.2Very high88.6Confident1 Ų153.6 Ų53.61%0.00527%0.265CS..Hα-helixtrans-54.5-45.2173-70.7163.8000111.5L553 A577 F581 V637 D640 L641 V644 Y667 G675L553-I671 HydrophobicContact CD1-CG2 4.44Å; L553-I671 HydrophobicContact CD2-CG2 4.41Å; A577-I671 HydrophobicContact CB-CG2 3.36Å; F581-I671 HydrophobicContact CE2-CG2 3.98Å; F581-I671 HydrophobicContact CZ-CG2 4.12Å; V637-I671 HydrophobicContact CG2-CB 4.2Å; V637-I671 HydrophobicContact CG2-CG1 3.74Å; D640-I671 HydrophobicContact CB-CD1 4.36Å; D640-I671 HydrophobicContact CB-CG1 4.28Å; L641-I671 HydrophobicContact CB-CD1 4.34Å; L641-I671 HydrophobicContact CD1-CD1 4.24Å; V644-I671 HydrophobicContact CG2-CD1 4.21Å; Y667-I671 WeakPolarHBondContact O-CB 3.15Å; Y667-I671 WeakPolarHBondContact O-CD1 3.46Å; Y667-I671 VanDerWaalsContact O-CG1 3.24Å; Y667-I671 WeakPolarHBondContact O-CG1 3.19Å; Y667-I671 PolarHBondContact O-N 3.06Å; I671-G675 PolarHBondContact O-N 3.08Å
672L93.6Very high89.4Confident22 Ų2249.2 Ų49.212%0.11524%0.244CC..Hα-helixtrans-63.2-48.4177.8175.865.3000112.1L553 K554 V557 L668 K669 H670 G675 I676L553-L672 HydrophobicContact CB-CD1 4.47Å; L553-L672 HydrophobicContact CD2-CD1 4.07Å; L553-L672 HydrophobicContact CG-CD1 3.86Å; K554-L672 HydrophobicContact CB-CD1 3.95Å; K554-L672 HydrophobicContact CG-CD1 4.49Å; K554-L672 HydrophobicContact CG-CD2 4.49Å; V557-L672 HydrophobicContact CB-CD2 4.08Å; V557-L672 HydrophobicContact CG1-CD2 3.99Å; V557-L672 HydrophobicContact CG2-CB 4.4Å; L668-L672 WeakPolarHBondContact O-CB 3.32Å; L668-L672 PolarHBondContact O-N 3.01Å; K669-L672 PolarHBondContact O-N 3.41Å; H670-L672 VanDerWaalsContact C-N 3.29Å; H670-L672 PolarHBondContact O-N 3.06Å; L672-G675 PolarHBondContact O-N 3.11Å; L672-I676 HydrophobicContact CD1-CD1 3.78Å; L672-I676 HydrophobicContact CD1-CG1 4.16Å; L672-I676 HydrophobicContact CG-CD1 3.9Å; L672-I676 VanDerWaalsContact O-CG1 3.25Å; L672-I676 WeakPolarHBondContact O-CG1 3.22Å; L672-I676 PolarHBondContact O-N 3.49Å
673D93.6Very high90.2Very high82 Ų8246 Ų4644%0.43922%0.218SC..Hα-helixtrans-62.9-48.2-177.7-174.341.4000111.5K669 H670 G675 I676 Q677K669-D673 PolarHBondContact O-N 3.42Å; H670-D673 PolarHBondContact O-N 3.46Å; D673-G675 PolarHBondContact O-N 2.95Å; D673-I676 PolarHBondContact O-N 3.05Å; D673-Q677 VanDerWaalsContact O-CG 3.3Å; D673-Q677 WeakPolarHBondContact O-CG 3.45Å; D673-Q677 PolarHBondContact O-N 3.47Å; D673-Q677 PolarHBondContact OD1-NE2 3.33Å; D673-Q677 VanDerWaalsContact OD1-NE2 3.1Å; D673-Q677 PolarHBondContact OD2-NE2 3.02Å
674V93.4Very high90.1Very high5 Ų546.6 Ų46.63%0.0323%0.234CC..Hα-helixtrans-63.3-42.7176.8177.50000111F581 L632 V637 H670 I676 Q677 C678F581-V674 HydrophobicContact CE1-CG1 4.32Å; L632-V674 HydrophobicContact CD1-CG1 4.47Å; V637-V674 HydrophobicContact CB-CB 4.24Å; V637-V674 HydrophobicContact CB-CG1 4.04Å; V637-V674 HydrophobicContact CB-CG2 4.24Å; V637-V674 HydrophobicContact CG1-CB 4.47Å; V637-V674 HydrophobicContact CG1-CG1 3.83Å; V637-V674 HydrophobicContact CG2-CB 4.01Å; V637-V674 HydrophobicContact CG2-CG1 4.28Å; V637-V674 HydrophobicContact CG2-CG2 4.18Å; H670-V674 WeakPolarHBondContact O-CG2 3.42Å; H670-V674 PolarHBondContact O-N 3.39Å; V674-I676 VanDerWaalsContact C-N 3.35Å; V674-I676 PolarHBondContact O-N 2.67Å; V674-Q677 PolarHBondContact O-N 3.33Å; V674-C678 WeakPolarHBondContact O-CB 3.35Å; V674-C678 PolarHBondContact O-N 3.22Å; V674-C678 PolarHBondContact O-SG 3.43Å
675G92.1Very high90.4Very high0 Ų048.8 Ų48.80%025%0.245CC..Hα-helixtrans-57.5-45.4176.600000112.8I671 L672 D673 R679I671-G675 PolarHBondContact O-N 3.08Å; L672-G675 PolarHBondContact O-N 3.11Å; D673-G675 PolarHBondContact O-N 2.95Å; G675-R679 WeakPolarHBondContact O-CB 3.37Å; G675-R679 PolarHBondContact O-N 3.32Å
676I93.3Very high90.6Very high27 Ų2747.8 Ų47.814%0.13824%0.241CC..Hα-helixtrans-62.7-46.8176-67.9166.8000110.6E550 L672 D673 V674 R680E550-I676 HydrophobicContact CG-CG1 3.91Å; L672-I676 HydrophobicContact CD1-CD1 3.78Å; L672-I676 HydrophobicContact CD1-CG1 4.16Å; L672-I676 HydrophobicContact CG-CD1 3.9Å; L672-I676 VanDerWaalsContact O-CG1 3.25Å; L672-I676 WeakPolarHBondContact O-CG1 3.22Å; L672-I676 PolarHBondContact O-N 3.49Å; D673-I676 PolarHBondContact O-N 3.05Å; V674-I676 VanDerWaalsContact C-N 3.35Å; V674-I676 PolarHBondContact O-N 2.67Å; I676-R680 HydrophobicContact CG2-CG 4.48Å; I676-R680 WeakPolarHBondContact O-CB 3.39Å; I676-R680 VanDerWaalsContact O-CG 3.28Å; I676-R680 WeakPolarHBondContact O-CG 3.36Å; I676-R680 PolarHBondContact O-N 2.92Å
677Q92.7Very high90.8Very high81 Ų8147.6 Ų47.638%0.37923%0.231SC..Hα-helixtrans-62.7-49.3-179.1-70.9177.629.500111.5I631 D673 V674 R679 R680 Q681I631-Q677 HydrophobicContact CG2-CB 4.48Å; D673-Q677 VanDerWaalsContact O-CG 3.3Å; D673-Q677 WeakPolarHBondContact O-CG 3.45Å; D673-Q677 PolarHBondContact O-N 3.47Å; D673-Q677 PolarHBondContact OD1-NE2 3.33Å; D673-Q677 VanDerWaalsContact OD1-NE2 3.1Å; D673-Q677 PolarHBondContact OD2-NE2 3.02Å; V674-Q677 PolarHBondContact O-N 3.33Å; Q677-R679 PolarHBondContact O-N 3.32Å; Q677-R680 PolarHBondContact O-N 3.05Å; Q677-Q681 WeakPolarHBondContact O-CG 3.41Å; Q677-Q681 PolarHBondContact O-N 3.12Å
678C91.3Very high90.8Very high0 Ų046.8 Ų46.80%023%0.231CC..Hα-helixtrans-62.6-43.8179.3-72.60000112.2I584 A628 I631 V674 Q681 L682I584-C678 HydrophobicContact CD1-CB 3.24Å; I584-C678 HydrophobicContact CG1-CB 3.95Å; I584-C678 HydrophobicContact CG2-CB 4.29Å; A628-C678 WeakPolarHBondContact CB-O 3.35Å; A628-C678 PolarHBondContact O-SG 3.31Å; I631-C678 VanDerWaalsContact CG2-SG 3.58Å; V674-C678 WeakPolarHBondContact O-CB 3.35Å; V674-C678 PolarHBondContact O-N 3.22Å; V674-C678 PolarHBondContact O-SG 3.43Å; C678-Q681 PolarHBondContact O-N 3.14Å; C678-L682 WeakPolarHBondContact O-CB 3.35Å; C678-L682 PolarHBondContact O-N 3.34Å
679R92.6Very high90.9Very high30 Ų3049.6 Ų49.611%0.11324%0.244CC..Hα-helixtrans-63.2-45.6177.3-172.8-155.45894.1-6.5111.4N543 A546 E550 G675 Q677 Q681 L682 Y683N543-R679 PolarHBondContact OD1-NH1 3.34Å; A546-R679 HydrophobicContact CB-CG 3.78Å; E550-R679 IonicContact OE2-CZ 3.21Å; E550-R679 IonicContact OE2-NE 3.29Å; E550-R679 PolarHBondContact OE2-NE 2.93Å; E550-R679 IonicContact OE2-NH2 3.38Å; E550-R679 PolarHBondContact OE2-NH2 3.35Å; G675-R679 WeakPolarHBondContact O-CB 3.37Å; G675-R679 PolarHBondContact O-N 3.32Å; Q677-R679 PolarHBondContact O-N 3.32Å; R679-Q681 PolarHBondContact O-N 3.34Å; R679-L682 PolarHBondContact O-N 3.31Å; R679-Y683 HydrophobicContact CG-CD2 4.01Å; R679-Y683 HydrophobicContact CG-CE2 4.37Å; R679-Y683 PolarHBondContact O-N 3.42Å; R679-Y683 VanDerWaalsContact O-N 3.13Å
680R91Very high90.9Very high158 Ų15845.4 Ų45.460%0.59623%0.228SC*.Hα-helixtrans-56.9-39.8177.3-77.8178.6-179.5-175.71.6111.4I676 Q677 A684I676-R680 HydrophobicContact CG2-CG 4.48Å; I676-R680 WeakPolarHBondContact O-CB 3.39Å; I676-R680 VanDerWaalsContact O-CG 3.28Å; I676-R680 WeakPolarHBondContact O-CG 3.36Å; I676-R680 PolarHBondContact O-N 2.92Å; Q677-R680 PolarHBondContact O-N 3.05Å; R680-A684 WeakPolarHBondContact O-CB 3.36Å; R680-A684 PolarHBondContact O-N 3.38Å
681Q88.9Confident90.8Very high77 Ų7743.9 Ų43.936%0.3622%0.222SC..Hα-helixtrans-74.9-35.7177.7-67.1-66.1-14.400112.7S624 T627 A628 I631 Q677 C678 R679 Y683 A684S624-Q681 WeakPolarHBondContact CB-O 3.5Å; T627-Q681 HydrophobicContact CG2-CB 4.41Å; T627-Q681 HydrophobicContact CG2-CG 4.36Å; A628-Q681 HydrophobicContact CB-CB 4.09Å; I631-Q681 HydrophobicContact CD1-CB 4.2Å; I631-Q681 HydrophobicContact CD1-CG 3.57Å; Q677-Q681 WeakPolarHBondContact O-CG 3.41Å; Q677-Q681 PolarHBondContact O-N 3.12Å; C678-Q681 PolarHBondContact O-N 3.14Å; R679-Q681 PolarHBondContact O-N 3.34Å; Q681-Y683 VanDerWaalsContact C-N 3.26Å; Q681-Y683 PolarHBondContact O-N 2.75Å; Q681-A684 PolarHBondContact O-N 3.06Å
682L87.3Confident90.5Very high3 Ų347.2 Ų47.22%0.01624%0.239CC..Hα-helixtrans-61.4-36.5177.9-178.463.6000112.2R539 Q583 I584 H625 A628 C678 R679R539-L682 PolarHBondContact NH2-O 3.18Å; Q583-L682 HydrophobicContact CG-CD2 4.3Å; I584-L682 HydrophobicContact CG1-CD2 4.24Å; H625-L682 HydrophobicContact CB-CD1 4.15Å; A628-L682 HydrophobicContact CB-CB 4Å; C678-L682 WeakPolarHBondContact O-CB 3.35Å; C678-L682 PolarHBondContact O-N 3.34Å; R679-L682 PolarHBondContact O-N 3.31Å
683Y86.8Confident90.2Very high31 Ų3149.3 Ų49.312%0.12225%0.249CC..THydrogen-bonded Turntrans-111.412.2-178.6-64.4-70.1000114.6R539 A542 N543 A546 Q583 R679 Q681R539-Y683 HydrophobicContact CG-CD1 4.05Å; R539-Y683 HydrophobicContact CG-CE1 4.06Å; A542-Y683 HydrophobicContact CB-CE1 4.21Å; A542-Y683 VanDerWaalsContact CB-OH 3.27Å; A542-Y683 WeakPolarHBondContact CB-OH 3.39Å; N543-Y683 HydrophobicContact CB-CD1 3.68Å; N543-Y683 HydrophobicContact CB-CD2 3.9Å; N543-Y683 HydrophobicContact CB-CE1 3.94Å; N543-Y683 HydrophobicContact CB-CE2 4.14Å; N543-Y683 HydrophobicContact CB-CG 3.68Å; N543-Y683 WeakPolarHBondContact OD1-CD2 3.5Å; A546-Y683 HydrophobicContact CB-CE2 3.93Å; Q583-Y683 PolarHBondContact NE2-OH 3.05Å; R679-Y683 HydrophobicContact CG-CD2 4.01Å; R679-Y683 HydrophobicContact CG-CE2 4.37Å; R679-Y683 PolarHBondContact O-N 3.42Å; R679-Y683 VanDerWaalsContact O-N 3.13Å; Q681-Y683 VanDerWaalsContact C-N 3.26Å; Q681-Y683 PolarHBondContact O-N 2.75Å
684A79.9Confident89.9Confident97 Ų9746.3 Ų46.380%0.80223%0.232SC*.  trans-61.6016000000109.3R539 S624 R680 Q681R539-A684 PolarHBondContact NH2-OXT 3.31Å; S624-A684 WeakPolarHBondContact CB-OXT 3.42Å; R680-A684 WeakPolarHBondContact O-CB 3.36Å; R680-A684 PolarHBondContact O-N 3.38Å; Q681-A684 PolarHBondContact O-N 3.06Å

Retrieved 684 of 684 residues in 206.7 ms (Link to these results)

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