G4VHB4_SCHMA Loading...

Structural maintenance of chromosomes protein

AlphaFold DB , UniProt , Accession G4VHB4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,234 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
1M50.9Low74.9Confident78 Ų7869.2 Ų69.238%0.38434%0.339SS..  0138.10-68.5-163.2-145.400107.9E3 V30 S1183 A1184M1-E3 PolarHBondContact O-N 3.2Å; M1-V30 HydrophobicContact CE-CB 3.89Å; M1-V30 HydrophobicContact CE-CG1 3.76Å; M1-V30 HydrophobicContact CE-CG2 3.36Å; M1-S1183 PolarHBondContact N-O 3.07Å; M1-A1184 VanDerWaalsContact CA-O 3.23Å; M1-A1184 WeakPolarHBondContact CA-O 3.31Å
2D51Low76.6Confident109 Ų10965.6 Ų65.658%0.58332%0.321SS*.  trans-48.4128.4164.6-90.8-38.5000108.6N4 C5 A1184D2-N4 PolarHBondContact O-N 2.96Å; D2-C5 PolarHBondContact O-N 3.15Å; D2-A1184 PolarHBondContact N-O 2.81Å
3E51.8Low78Confident187 Ų18760.5 Ų60.587%0.87430%0.296SS*.THydrogen-bonded Turntrans-58.4-6.5-178.2-70.9-176.8155.900113.3M1M1-E3 PolarHBondContact O-N 3.2Å
4N58.8Low79.2Confident142 Ų14262.6 Ų62.676%0.75931%0.305SS*.THydrogen-bonded Turntrans-98.60.2178.8-71.2-23.2000115.1D2 P91D2-N4 PolarHBondContact O-N 2.96Å; N4-P91 WeakPolarHBondContact O-CG 3.49Å
5C67.1Low80.2Confident45 Ų4560.1 Ų60.130%0.30429%0.294SS..  trans-103.3123.5179.9-78.10000112.1D2D2-C5 PolarHBondContact O-N 3.15Å
6G83.1Confident81Confident4 Ų456.4 Ų56.44%0.04128%0.275CS..  trans-76.1179.4170.800000112.3Y88 E89G6-Y88 VanDerWaalsContact C-OH 3.28Å; G6-Y88 WeakPolarHBondContact CA-OH 3.31Å; G6-Y88 PolarHBondContact N-OH 3.02Å; G6-E89 CarbonylContact C-O 3.6Å; G6-E89 WeakPolarHBondContact CA-O 3.43Å
7R88.2Confident81.6Confident97 Ų9754.7 Ų54.737%0.36627%0.266SS..EExtended strand (participates in β ladder)trans-142.4152.6-176.962.4-179.7176.4-179.1-2.4112.7K9 Y88 E89R7-K9 PolarHBondContact O-N 2.61Å; R7-Y88 WeakPolarHBondContact O-CD2 3.49Å; R7-E89 HydrophobicContact CG-CB 4.22Å; R7-E89 IonicContact CZ-OE2 2.74Å; R7-E89 PolarHBondContact N-O 3.22Å; R7-E89 IonicContact NE-OE2 3.48Å; R7-E89 PolarHBondContact NE-OE2 3.1Å; R7-E89 IonicContact NH2-OE2 3.8Å; R7-E89 PolarHBondContact NH2-OE2 3.26Å; R7-E89 PolarHBondContact O-N 3.4Å
8L91.9Very high82.1Confident3 Ų352.2 Ų52.22%0.01626%0.255CS..EExtended strand (participates in β ladder)trans-74.4113.2168.3-174.864.7000108.4I11 F28 A86 F1156 Q1187 I1189L8-I11 HydrophobicContact CD1-CG1 4.44Å; L8-I11 HydrophobicContact CD2-CD1 4.06Å; L8-I11 HydrophobicContact CD2-CG1 4.19Å; L8-F28 HydrophobicContact CD2-CD2 4.12Å; L8-F28 HydrophobicContact CD2-CE2 3.93Å; L8-F28 HydrophobicContact CG-CD2 3.97Å; L8-F28 HydrophobicContact CG-CE2 4.11Å; L8-F28 WeakPolarHBondContact O-CB 3.16Å; L8-A86 HydrophobicContact CD1-CB 3.84Å; L8-F1156 HydrophobicContact CB-CD1 3.91Å; L8-F1156 HydrophobicContact CB-CE1 4.27Å; L8-F1156 HydrophobicContact CB-CG 4.29Å; L8-F1156 HydrophobicContact CD2-CE2 4.5Å; L8-F1156 HydrophobicContact CD2-CZ 4.5Å; L8-Q1187 PolarHBondContact O-NE2 3.48Å; L8-Q1187 PolarHBondContact O-OE1 2.87Å; L8-I1189 HydrophobicContact CD2-CD1 4.02Å
9K92.1Very high82.6Confident55 Ų5549.4 Ų49.424%0.23924%0.241CC..EExtended strand (participates in β ladder)trans-78.6-50.9-174-161.8-180-175.7149.10111.3R7 P27 F28 V87 E89 E95R7-K9 PolarHBondContact O-N 2.61Å; K9-P27 WeakPolarHBondContact O-CA 3.34Å; K9-F28 PolarHBondContact O-N 3.39Å; K9-V87 WeakPolarHBondContact CB-O 3.33Å; K9-V87 PolarHBondContact N-O 2.94Å; K9-E89 HydrophobicContact CB-CB 4.48Å; K9-E89 WeakPolarHBondContact CE-OE1 3.36Å; K9-E89 IonicContact NZ-OE1 2.87Å; K9-E89 PolarHBondContact NZ-OE1 3.38Å; K9-E95 WeakPolarHBondContact CD-OE1 3.35Å; K9-E95 WeakPolarHBondContact CE-OE1 3.2Å; K9-E95 IonicContact NZ-OE1 3.48Å; K9-E95 PolarHBondContact NZ-OE1 3.08Å
10Y94.2Very high83.1Confident41 Ų4150.1 Ų50.116%0.16124%0.243CC..EExtended strand (participates in β ladder)trans-167168.5176.860.9-96.2000110.1E12 V24 I25 V87 R97Y10-E12 HydrophobicContact CD2-CG 3.92Å; Y10-E12 HydrophobicContact CE2-CG 3.5Å; Y10-E12 VanDerWaalsContact CE2-CG 3.5Å; Y10-E12 VanDerWaalsContact CE2-OE1 3.26Å; Y10-E12 WeakPolarHBondContact CE2-OE1 3.47Å; Y10-E12 PolarHBondContact OH-OE1 3.38Å; Y10-V24 HydrophobicContact CD2-CG1 3.64Å; Y10-V24 HydrophobicContact CE2-CG1 4.18Å; Y10-V24 HydrophobicContact CG-CG1 4.14Å; Y10-I25 CarbonylContact C-O 3.58Å; Y10-I25 VanDerWaalsContact CA-O 3.27Å; Y10-I25 WeakPolarHBondContact CA-O 3.25Å; Y10-I25 VanDerWaalsContact CB-O 3.28Å; Y10-I25 WeakPolarHBondContact CB-O 3.45Å; Y10-V87 HydrophobicContact CD1-CB 4.46Å; Y10-V87 HydrophobicContact CD2-CB 4.3Å; Y10-V87 HydrophobicContact CD2-CG2 4.05Å; Y10-V87 HydrophobicContact CE1-CB 4.15Å; Y10-V87 HydrophobicContact CE1-CG1 4.09Å; Y10-V87 HydrophobicContact CE1-CG2 4.38Å; Y10-V87 HydrophobicContact CE2-CB 4.01Å; Y10-V87 HydrophobicContact CE2-CG2 3.46Å; Y10-V87 VanDerWaalsContact CE2-CG2 3.46Å; Y10-V87 PolarHBondContact O-N 3.4Å; Y10-R97 PolarHBondContact OH-NH2 2.93Å
11I94.7Very high83.5Confident0 Ų049 Ų490%025%0.245CC..EExtended strand (participates in β ladder)trans-119.2131.9175.1-63.4158.2000109.4L8 L13 V24 I25 F28 L45 I49 V84 T85L8-I11 HydrophobicContact CD1-CG1 4.44Å; L8-I11 HydrophobicContact CD2-CD1 4.06Å; L8-I11 HydrophobicContact CD2-CG1 4.19Å; I11-L13 HydrophobicContact CG2-CG 4.17Å; I11-V24 WeakPolarHBondContact O-CA 3.29Å; I11-I25 PolarHBondContact N-O 3.18Å; I11-I25 PolarHBondContact O-N 3.33Å; I11-F28 HydrophobicContact CD1-CE2 3.87Å; I11-F28 HydrophobicContact CD1-CZ 3.94Å; I11-F28 HydrophobicContact CG1-CE2 3.96Å; I11-F28 HydrophobicContact CG1-CZ 4.43Å; I11-L45 HydrophobicContact CD1-CD1 3.82Å; I11-I49 HydrophobicContact CD1-CD1 3.81Å; I11-I49 HydrophobicContact CD1-CG1 3.3Å; I11-V84 HydrophobicContact CG2-CG1 3.93Å; I11-T85 CarbonylContact C-O 3.57Å; I11-T85 WeakPolarHBondContact CA-O 3.45Å
12E95.5Very high85.5Confident26 Ų2651.2 Ų51.212%0.12125%0.252CS..EExtended strand (participates in β ladder)trans-98.7126170.3-48.3-175.9-168.500109.4Y10 K22 V24 V84 T85 R97Y10-E12 HydrophobicContact CD2-CG 3.92Å; Y10-E12 HydrophobicContact CE2-CG 3.5Å; Y10-E12 VanDerWaalsContact CE2-CG 3.5Å; Y10-E12 VanDerWaalsContact CE2-OE1 3.26Å; Y10-E12 WeakPolarHBondContact CE2-OE1 3.47Å; Y10-E12 PolarHBondContact OH-OE1 3.38Å; E12-K22 WeakPolarHBondContact OE2-CE 3.38Å; E12-K22 IonicContact OE2-NZ 3.19Å; E12-K22 PolarHBondContact OE2-NZ 3.07Å; E12-V24 HydrophobicContact CG-CG2 4.37Å; E12-V84 CarbonylContact O-C 3.52Å; E12-V84 WeakPolarHBondContact O-CA 3.47Å; E12-T85 PolarHBondContact N-O 3.42Å; E12-T85 PolarHBondContact O-N 3.05Å; E12-R97 IonicContact OE1-CZ 3.54Å; E12-R97 IonicContact OE1-NH1 4Å; E12-R97 PolarHBondContact OE1-NH1 3.1Å
13L94.7Very high87.4Confident0 Ų048.2 Ų48.20%024%0.235CC..EExtended strand (participates in β ladder)trans-114.9134.5177.8-71.3156.9000108.5I11 Y16 Y19 K22 Q23 I25 A48 V84I11-L13 HydrophobicContact CG2-CG 4.17Å; L13-Y16 HydrophobicContact CD2-CD1 3.74Å; L13-Y16 HydrophobicContact CD2-CG 3.93Å; L13-Y19 HydrophobicContact CD1-CD1 4.23Å; L13-Y19 HydrophobicContact CD1-CD2 3.74Å; L13-Y19 HydrophobicContact CD1-CE1 4.39Å; L13-Y19 HydrophobicContact CD1-CE2 3.91Å; L13-Y19 HydrophobicContact CD1-CG 3.9Å; L13-K22 CarbonylContact O-C 3.15Å; L13-K22 VanDerWaalsContact O-CA 3.32Å; L13-K22 WeakPolarHBondContact O-CA 3.33Å; L13-Q23 HydrophobicContact CB-CB 4.34Å; L13-Q23 PolarHBondContact N-O 3.08Å; L13-Q23 PolarHBondContact O-N 2.99Å; L13-I25 HydrophobicContact CD1-CD1 3.37Å; L13-I25 HydrophobicContact CD1-CG1 3.9Å; L13-A48 HydrophobicContact CD2-CB 3.46Å; L13-A48 VanDerWaalsContact CD2-CB 3.46Å; L13-V84 HydrophobicContact CD2-CB 4.35Å; L13-V84 HydrophobicContact CD2-CG1 3.97Å; L13-V84 HydrophobicContact CD2-CG2 3.72Å
14E95Very high89.4Confident90 Ų9042.8 Ų42.842%0.42121%0.214SC..EExtended strand (participates in β ladder)trans-130.3115.9173.8-168.3176-16600110.5Y16 G21 A82 S83E14-Y16 PolarHBondContact O-N 2.82Å; E14-G21 VanDerWaalsContact CA-O 3.31Å; E14-G21 WeakPolarHBondContact CA-O 3.27Å; E14-A82 VanDerWaalsContact O-CA 3.27Å; E14-A82 WeakPolarHBondContact O-CA 3.44Å; E14-S83 WeakPolarHBondContact CB-OG 3.44Å; E14-S83 PolarHBondContact N-O 2.79Å; E14-S83 PolarHBondContact O-N 3.28Å; E14-S83 PolarHBondContact OE2-OG 2.86Å
15N93.9Very high91.1Very high25 Ų2536 Ų3613%0.13418%0.178CC..EExtended strand (participates in β ladder)trans51.237.5178.8-58.9-46.6000113.6Y19 G21 H70 V78 A79 A82N15-Y19 CarbonylContact C-O 3.51Å; N15-Y19 WeakPolarHBondContact CA-O 3.39Å; N15-Y19 PolarHBondContact N-O 3.47Å; N15-G21 PolarHBondContact N-O 3.07Å; N15-G21 VanDerWaalsContact N-O 3.1Å; N15-G21 WeakPolarHBondContact OD1-CA 3.37Å; N15-G21 PolarHBondContact OD1-N 3.34Å; N15-H70 HydrophobicContact CB-CB 4.49Å; N15-H70 WeakPolarHBondContact O-CB 2.94Å; N15-H70 PolarHBondContact O-N 2.82Å; N15-V78 HydrophobicContact CB-CG2 4.15Å; N15-A79 HydrophobicContact CB-CB 4.27Å; N15-A82 VanDerWaalsContact O-CB 3.28Å; N15-A82 WeakPolarHBondContact O-CB 2.98Å
16Y93Very high92Very high0 Ų034.5 Ų34.50%017%0.17CC..EExtended strand (participates in β ladder)trans-103.6121.3-174.8-178.1-92.3000111.8L13 E14 S18 Y19 D47 A48 F51 L68 V84L13-Y16 HydrophobicContact CD2-CD1 3.74Å; L13-Y16 HydrophobicContact CD2-CG 3.93Å; E14-Y16 PolarHBondContact O-N 2.82Å; Y16-S18 PolarHBondContact O-N 3.02Å; Y16-Y19 PolarHBondContact N-O 2.82Å; Y16-Y19 WeakPolarHBondContact O-CA 3.26Å; Y16-Y19 WeakPolarHBondContact O-CB 3.33Å; Y16-Y19 PolarHBondContact O-N 3.36Å; Y16-D47 VanDerWaalsContact OH-C 3.27Å; Y16-D47 PolarHBondContact OH-O 3.49Å; Y16-A48 HydrophobicContact CD1-CB 4.13Å; Y16-A48 HydrophobicContact CE1-CB 3.72Å; Y16-A48 PolarHBondContact OH-N 3.12Å; Y16-F51 HydrophobicContact CE2-CB 4.45Å; Y16-F51 AromaticContact CE2-CD1 3.97Å; Y16-F51 HydrophobicContact CE2-CD1 3.97Å; Y16-F51 HydrophobicContact CE2-CG 4.21Å; Y16-L68 CarbonylContact C-O 3.27Å; Y16-L68 WeakPolarHBondContact CA-O 3.47Å; Y16-L68 HydrophobicContact CD2-CB 4.32Å; Y16-L68 HydrophobicContact CE2-CB 4.02Å; Y16-L68 HydrophobicContact CE2-CD1 4.21Å; Y16-L68 HydrophobicContact CE2-CD2 3.99Å; Y16-L68 HydrophobicContact CE2-CG 4.3Å; Y16-V84 HydrophobicContact CD1-CG2 4.4Å; Y16-V84 HydrophobicContact CD2-CG2 3.46Å; Y16-V84 VanDerWaalsContact CD2-CG2 3.46Å; Y16-V84 HydrophobicContact CE2-CG2 3.75Å; Y16-V84 HydrophobicContact CG-CG2 3.82Å
17K91.3Very high92.4Very high28 Ų2838.6 Ų38.612%0.12220%0.196CC..THydrogen-bonded Turntrans48-105-179.5-69.3-166.5174.7-159.50113.3N44 D47 L60 L68 H70K17-N44 HydrophobicContact CB-CB 4.33Å; K17-N44 HydrophobicContact CD-CB 4.05Å; K17-N44 WeakPolarHBondContact CD-OD1 3.4Å; K17-D47 VanDerWaalsContact NZ-CG 3.33Å; K17-D47 IonicContact NZ-OD2 3.99Å; K17-D47 PolarHBondContact NZ-OD2 2.96Å; K17-L60 PolarHBondContact NZ-O 3.24Å; K17-L68 HydrophobicContact CD-CD2 4.22Å; K17-L68 HydrophobicContact CG-CD2 4Å; K17-L68 PolarHBondContact N-O 3.38Å; K17-H70 VanDerWaalsContact O-CA 3.26Å; K17-H70 WeakPolarHBondContact O-CA 3.41Å; K17-H70 WeakPolarHBondContact O-CB 3.33Å; K17-H70 PolarHBondContact O-ND1 3.01Å
18S90.7Very high92.6Very high9 Ų934.3 Ų34.36%0.06318%0.18CC..THydrogen-bonded Turntrans-91.8-7.717857.20000113.2Y16 K20 N44 V1217 S1218Y16-S18 PolarHBondContact O-N 3.02Å; S18-K20 PolarHBondContact O-N 2.73Å; S18-N44 PolarHBondContact OG-ND2 3.41Å; S18-V1217 CarbonylContact O-C 3.54Å; S18-V1217 VanDerWaalsContact O-CA 3.28Å; S18-V1217 WeakPolarHBondContact O-CA 3.39Å; S18-S1218 WeakPolarHBondContact CB-OG 3.09Å; S18-S1218 PolarHBondContact O-N 2.7Å; S18-S1218 WeakPolarHBondContact OG-CB 3.44Å; S18-S1218 PolarHBondContact OG-OG 3.19Å
19Y92.1Very high92.4Very high0 Ų035.8 Ų35.80%019%0.19CC..EExtended strand (participates in β ladder)trans-89.5103.4179.7-60.2-80.1000110.6L13 N15 Y16 Q23 I25 G41 N44 S1218 V1220L13-Y19 HydrophobicContact CD1-CD1 4.23Å; L13-Y19 HydrophobicContact CD1-CD2 3.74Å; L13-Y19 HydrophobicContact CD1-CE1 4.39Å; L13-Y19 HydrophobicContact CD1-CE2 3.91Å; L13-Y19 HydrophobicContact CD1-CG 3.9Å; N15-Y19 CarbonylContact C-O 3.51Å; N15-Y19 WeakPolarHBondContact CA-O 3.39Å; N15-Y19 PolarHBondContact N-O 3.47Å; Y16-Y19 PolarHBondContact N-O 2.82Å; Y16-Y19 WeakPolarHBondContact O-CA 3.26Å; Y16-Y19 WeakPolarHBondContact O-CB 3.33Å; Y16-Y19 PolarHBondContact O-N 3.36Å; Y19-Q23 HydrophobicContact CD1-CB 4.16Å; Y19-Q23 HydrophobicContact CD1-CG 4.07Å; Y19-I25 HydrophobicContact CE1-CD1 3.83Å; Y19-G41 PolarHBondContact OH-O 3.16Å; Y19-N44 HydrophobicContact CE2-CB 4.01Å; Y19-S1218 WeakPolarHBondContact CD1-O 3.08Å; Y19-V1220 HydrophobicContact CE1-CG2 3.87Å
20K91.4Very high92.3Very high62 Ų6235 Ų3527%0.2719%0.191SC..EExtended strand (participates in β ladder)trans-86.2140.2175.9-174.6-178.7166.2-164.70110.7S18 Q23 E1212 V1217S18-K20 PolarHBondContact O-N 2.73Å; K20-Q23 PolarHBondContact O-NE2 3.32Å; K20-E1212 IonicContact NZ-OE2 2.72Å; K20-E1212 PolarHBondContact NZ-OE2 2.78Å; K20-V1217 HydrophobicContact CB-CG1 3.85Å; K20-V1217 HydrophobicContact CB-CG2 4.08Å; K20-V1217 HydrophobicContact CD-CG2 4.06Å
21G91.5Very high92.2Very high27 Ų2733.1 Ų33.128%0.27818%0.183SC..EExtended strand (participates in β ladder)trans65.8-162.8-176.500000111.9E14 N15E14-G21 VanDerWaalsContact CA-O 3.31Å; E14-G21 WeakPolarHBondContact CA-O 3.27Å; N15-G21 PolarHBondContact N-O 3.07Å; N15-G21 VanDerWaalsContact N-O 3.1Å; N15-G21 WeakPolarHBondContact OD1-CA 3.37Å; N15-G21 PolarHBondContact OD1-N 3.34Å
22K92.9Very high92.1Very high126 Ų12633.1 Ų33.155%0.54818%0.183SC..EExtended strand (participates in β ladder)trans-83.9116.9176.5-171.6173.9-176.7169.50110.1E12 L13E12-K22 WeakPolarHBondContact OE2-CE 3.38Å; E12-K22 IonicContact OE2-NZ 3.19Å; E12-K22 PolarHBondContact OE2-NZ 3.07Å; L13-K22 CarbonylContact O-C 3.15Å; L13-K22 VanDerWaalsContact O-CA 3.32Å; L13-K22 WeakPolarHBondContact O-CA 3.33Å
23Q92.5Very high92Very high46 Ų4631.9 Ų31.922%0.21518%0.177CC..EExtended strand (participates in β ladder)trans-118.1135.7175.8-58.8-61.6-28.800109L13 Y19 K20L13-Q23 HydrophobicContact CB-CB 4.34Å; L13-Q23 PolarHBondContact N-O 3.08Å; L13-Q23 PolarHBondContact O-N 2.99Å; Y19-Q23 HydrophobicContact CD1-CB 4.16Å; Y19-Q23 HydrophobicContact CD1-CG 4.07Å; K20-Q23 PolarHBondContact O-NE2 3.32Å
24V93.8Very high92Very high72 Ų7231.9 Ų31.944%0.43618%0.177SC..EExtended strand (participates in β ladder)trans-114.7121.7178.1-177.90000108.1Y10 I11 E12Y10-V24 HydrophobicContact CD2-CG1 3.64Å; Y10-V24 HydrophobicContact CE2-CG1 4.18Å; Y10-V24 HydrophobicContact CG-CG1 4.14Å; I11-V24 WeakPolarHBondContact O-CA 3.29Å; E12-V24 HydrophobicContact CG-CG2 4.37Å
25I92.7Very high91.9Very high0 Ų029.3 Ų29.30%017%0.166CC..EExtended strand (participates in β ladder)trans-108.5110.8-178.7-54.2-164.4000108.7Y10 I11 L13 Y19 F28 L45 I1205 V1220Y10-I25 CarbonylContact C-O 3.58Å; Y10-I25 VanDerWaalsContact CA-O 3.27Å; Y10-I25 WeakPolarHBondContact CA-O 3.25Å; Y10-I25 VanDerWaalsContact CB-O 3.28Å; Y10-I25 WeakPolarHBondContact CB-O 3.45Å; I11-I25 PolarHBondContact N-O 3.18Å; I11-I25 PolarHBondContact O-N 3.33Å; L13-I25 HydrophobicContact CD1-CD1 3.37Å; L13-I25 HydrophobicContact CD1-CG1 3.9Å; Y19-I25 HydrophobicContact CE1-CD1 3.83Å; I25-F28 HydrophobicContact CG2-CE1 4.14Å; I25-F28 HydrophobicContact CG2-CZ 3.88Å; I25-F28 WeakPolarHBondContact O-CE2 3.47Å; I25-L45 HydrophobicContact CB-CD1 4.45Å; I25-L45 HydrophobicContact CD1-CD1 3.72Å; I25-L45 HydrophobicContact CD1-CD2 4.07Å; I25-L45 HydrophobicContact CD1-CG 4.34Å; I25-L45 HydrophobicContact CG2-CD1 4.21Å; I25-L45 HydrophobicContact CG2-CD2 3.71Å; I25-I1205 HydrophobicContact CG2-CD1 4.18Å; I25-I1205 HydrophobicContact CG2-CG2 4.06Å; I25-V1220 HydrophobicContact CD1-CG2 3.93Å; I25-V1220 HydrophobicContact CG1-CG1 4.44Å; I25-V1220 HydrophobicContact CG1-CG2 3.96Å; I25-V1220 HydrophobicContact CG2-CG1 4.4Å
26G87.4Confident91.7Very high14 Ų1429.2 Ų29.214%0.14417%0.171CC..  trans145.5-170.1-175.600000110.9
27P91.4Very high91.4Very high90 Ų9032.7 Ų32.758%0.58419%0.194SC*.  cis-66.6144.70.328.7-34.9000112.3K9K9-P27 WeakPolarHBondContact O-CA 3.34Å
28F92Very high91.2Very high6 Ų637.3 Ų37.33%0.02622%0.22CC..  trans-86.2130.8171.2-60.5-66.2000110.2L8 K9 I11 I25 T32 Q1187 I1189 I1205L8-F28 HydrophobicContact CD2-CD2 4.12Å; L8-F28 HydrophobicContact CD2-CE2 3.93Å; L8-F28 HydrophobicContact CG-CD2 3.97Å; L8-F28 HydrophobicContact CG-CE2 4.11Å; L8-F28 WeakPolarHBondContact O-CB 3.16Å; K9-F28 PolarHBondContact O-N 3.39Å; I11-F28 HydrophobicContact CD1-CE2 3.87Å; I11-F28 HydrophobicContact CD1-CZ 3.94Å; I11-F28 HydrophobicContact CG1-CE2 3.96Å; I11-F28 HydrophobicContact CG1-CZ 4.43Å; I25-F28 HydrophobicContact CG2-CE1 4.14Å; I25-F28 HydrophobicContact CG2-CZ 3.88Å; I25-F28 WeakPolarHBondContact O-CE2 3.47Å; F28-T32 HydrophobicContact CD1-CG2 3.98Å; F28-Q1187 PolarHBondContact O-NE2 3.42Å; F28-I1189 HydrophobicContact CD1-CD1 3.98Å; F28-I1189 HydrophobicContact CD1-CG1 4.36Å; F28-I1189 HydrophobicContact CD2-CD1 4.22Å; F28-I1189 HydrophobicContact CE1-CD1 4.19Å; F28-I1189 HydrophobicContact CE1-CG2 4.44Å; F28-I1189 HydrophobicContact CE2-CD1 4.42Å; F28-I1189 HydrophobicContact CG-CD1 4.01Å; F28-I1189 HydrophobicContact CZ-CD1 4.42Å; F28-I1205 HydrophobicContact CD1-CD1 3.5Å; F28-I1205 HydrophobicContact CE1-CD1 3.37Å; F28-I1205 HydrophobicContact CZ-CD1 4.42Å
29S88.6Confident90.9Very high34 Ų3439.9 Ų39.924%0.23825%0.248CC..  trans-85.6-173.2172.8-600000111T32 Q1187 S1203S29-T32 PolarHBondContact N-OG1 2.88Å; S29-T32 PolarHBondContact O-OG1 3.31Å; S29-Q1187 WeakPolarHBondContact O-CG 3.5Å; S29-Q1187 PolarHBondContact O-NE2 2.96Å; S29-S1203 VanDerWaalsContact CB-OG 3.24Å; S29-S1203 WeakPolarHBondContact CB-OG 3.44Å; S29-S1203 WeakPolarHBondContact OG-CB 3.19Å; S29-S1203 PolarHBondContact OG-OG 2.81Å
30V89.1Confident90.6Very high40 Ų4039.9 Ų39.924%0.24225%0.248CC..SBendtrans-61-50.4176.4179.60000111.1M1 A1182 Q1187 I1188M1-V30 HydrophobicContact CE-CB 3.89Å; M1-V30 HydrophobicContact CE-CG1 3.76Å; M1-V30 HydrophobicContact CE-CG2 3.36Å; V30-A1182 VanDerWaalsContact CG1-C 3.43Å; V30-A1182 HydrophobicContact CG1-CB 3.94Å; V30-A1182 WeakPolarHBondContact CG1-O 3.4Å; V30-Q1187 CarbonylContact O-C 3.59Å; V30-Q1187 WeakPolarHBondContact O-CA 3.46Å; V30-I1188 PolarHBondContact O-N 3.23Å
31F91.7Very high90.4Very high1 Ų137.4 Ų37.40%0.00424%0.24CC..EExtended strand (participates in β ladder)trans-118.6110.7168178.3-156.5000109.8I1178 R1179 A1182 I1188 V1190 F1197 R1200 A1201 D1202 S1203F31-I1178 HydrophobicContact CD1-CG2 4.36Å; F31-I1178 HydrophobicContact CD2-CG2 4.01Å; F31-I1178 HydrophobicContact CE1-CG2 4.12Å; F31-I1178 HydrophobicContact CE2-CG2 3.78Å; F31-I1178 HydrophobicContact CG-CG2 4.33Å; F31-I1178 HydrophobicContact CZ-CG2 3.84Å; F31-R1179 HydrophobicContact CD1-CB 4.14Å; F31-R1179 HydrophobicContact CD1-CG 4.37Å; F31-R1179 HydrophobicContact CE1-CB 4.48Å; F31-A1182 HydrophobicContact CB-CB 4.1Å; F31-I1188 WeakPolarHBondContact CA-O 3.3Å; F31-I1188 HydrophobicContact CD2-CB 4.4Å; F31-V1190 HydrophobicContact CE2-CB 4.29Å; F31-V1190 HydrophobicContact CE2-CG2 3.77Å; F31-F1197 HydrophobicContact CE2-CE1 4.11Å; F31-F1197 HydrophobicContact CZ-CD1 4.25Å; F31-F1197 AromaticContact CZ-CE1 3.76Å; F31-F1197 HydrophobicContact CZ-CE1 3.76Å; F31-R1200 VanDerWaalsContact CD1-O 3.31Å; F31-R1200 WeakPolarHBondContact CD1-O 3.26Å; F31-R1200 HydrophobicContact CE1-CB 4.19Å; F31-R1200 WeakPolarHBondContact CE1-O 3.19Å; F31-A1201 VanDerWaalsContact CD1-CA 3.48Å; F31-A1201 HydrophobicContact CD1-CB 4.16Å; F31-A1201 HydrophobicContact CD2-CB 4.47Å; F31-A1201 HydrophobicContact CE1-CB 4.05Å; F31-A1201 HydrophobicContact CE2-CB 4.34Å; F31-A1201 HydrophobicContact CG-CB 4.34Å; F31-A1201 HydrophobicContact CZ-CB 4.13Å; F31-D1202 PolarHBondContact N-OD2 2.77Å; F31-D1202 WeakPolarHBondContact O-CB 3.47Å; F31-D1202 PolarHBondContact O-N 3.43Å; F31-S1203 PolarHBondContact O-N 3.17Å
32T93.4Very high90.2Very high0 Ų036.4 Ų36.40%023%0.228CC..EExtended strand (participates in β ladder)trans-113.5133179.1-49.60000110.7F28 S29 I1188 I1189 V1190 S1203 I1205F28-T32 HydrophobicContact CD1-CG2 3.98Å; S29-T32 PolarHBondContact N-OG1 2.88Å; S29-T32 PolarHBondContact O-OG1 3.31Å; T32-I1188 PolarHBondContact N-O 2.85Å; T32-I1189 CarbonylContact O-C 3.56Å; T32-I1189 WeakPolarHBondContact O-CA 3.34Å; T32-V1190 PolarHBondContact O-N 3.3Å; T32-S1203 WeakPolarHBondContact CA-O 3.38Å; T32-S1203 WeakPolarHBondContact CG2-OG 3.28Å; T32-S1203 PolarHBondContact OG1-OG 3.38Å; T32-I1205 HydrophobicContact CG2-CD1 3.66Å; T32-I1205 HydrophobicContact CG2-CG1 3.82Å
33A93.2Very high89.9Confident0 Ų031.4 Ų31.40%021%0.208CC..EExtended strand (participates in β ladder)trans-109.1129.617200000111.8V1190 Y1198 A1201 S1203 L1204 I1205A33-V1190 CarbonylContact C-O 3.53Å; A33-V1190 VanDerWaalsContact CA-O 3.27Å; A33-V1190 WeakPolarHBondContact CA-O 3.48Å; A33-Y1198 VanDerWaalsContact CB-CB 3.48Å; A33-A1201 HydrophobicContact CB-CB 3.72Å; A33-S1203 PolarHBondContact N-O 3.05Å; A33-L1204 HydrophobicContact CB-CD2 3.84Å; A33-L1204 CarbonylContact O-C 3.59Å; A33-L1204 VanDerWaalsContact O-CA 3.28Å; A33-L1204 WeakPolarHBondContact O-CA 3.39Å; A33-I1205 PolarHBondContact O-N 3.3Å
34I93.5Very high89.8Confident0 Ų030.9 Ų30.90%021%0.207CC..EExtended strand (participates in β ladder)trans-97.4119176.5-63.6153.9000108.2K42 L45 I1189 V1190 I1191 S1192 I1205 I1207I34-K42 HydrophobicContact CG2-CB 4.39Å; I34-K42 HydrophobicContact CG2-CG 4.44Å; I34-L45 HydrophobicContact CD1-CD2 3.44Å; I34-L45 VanDerWaalsContact CD1-CD2 3.44Å; I34-L45 HydrophobicContact CD1-CG 4.32Å; I34-L45 HydrophobicContact CG1-CD2 4.06Å; I34-L45 HydrophobicContact CG2-CD2 4.35Å; I34-I1189 HydrophobicContact CD1-CG2 3.4Å; I34-I1189 HydrophobicContact CG1-CG2 4.21Å; I34-V1190 PolarHBondContact N-O 2.65Å; I34-I1191 HydrophobicContact CB-CG1 3.89Å; I34-I1191 HydrophobicContact CD1-CD1 4.44Å; I34-I1191 HydrophobicContact CD1-CG1 3.75Å; I34-I1191 HydrophobicContact CG1-CG1 4.46Å; I34-I1191 HydrophobicContact CG2-CG1 4.18Å; I34-I1191 WeakPolarHBondContact O-CA 3.48Å; I34-S1192 PolarHBondContact O-N 3.03Å; I34-I1205 CarbonylContact C-O 3.49Å; I34-I1205 WeakPolarHBondContact CA-O 3.28Å; I34-I1205 HydrophobicContact CG1-CB 4.21Å; I34-I1207 HydrophobicContact CG2-CD1 3.46Å; I34-I1207 VanDerWaalsContact CG2-CD1 3.46Å; I34-I1207 HydrophobicContact CG2-CG1 4.2Å
35I93.4Very high89.6Confident36 Ų3627.5 Ų27.519%0.18519%0.186CC..EExtended strand (participates in β ladder)trans-125165-173.464.9168.9000111.5Y1198 L1204 I1205 G1206 I1207I35-Y1198 HydrophobicContact CG2-CD1 3.63Å; I35-Y1198 HydrophobicContact CG2-CD2 4.36Å; I35-Y1198 HydrophobicContact CG2-CE1 4.15Å; I35-Y1198 HydrophobicContact CG2-CG 3.76Å; I35-L1204 HydrophobicContact CD1-CB 4.32Å; I35-L1204 HydrophobicContact CD1-CD1 4.06Å; I35-L1204 HydrophobicContact CG2-CD2 4.45Å; I35-I1205 PolarHBondContact N-O 3.35Å; I35-G1206 CarbonylContact O-C 3.5Å; I35-G1206 WeakPolarHBondContact O-CA 3.35Å; I35-I1207 PolarHBondContact O-N 3.01Å
36G89.5Confident89.3Confident23 Ų2327.5 Ų27.524%0.23719%0.186CC..  trans149.8168.1177.700000112.6K42 L1193 I1207G36-K42 WeakPolarHBondContact O-CE 3.29Å; G36-K42 PolarHBondContact O-NZ 3.43Å; G36-L1193 VanDerWaalsContact O-CD2 3.3Å; G36-L1193 WeakPolarHBondContact O-CD2 3.04Å; G36-I1207 WeakPolarHBondContact CA-O 3.46Å
37P88.1Confident89.4Confident73 Ų7326.8 Ų26.847%0.47418%0.18SC..  trans-67.9159-178.425.7-30.4000112.2G39 S40 K42P37-G39 PolarHBondContact O-N 3.22Å; P37-S40 VanDerWaalsContact O-CB 3.31Å; P37-S40 WeakPolarHBondContact O-CB 3.36Å; P37-S40 PolarHBondContact O-N 3.08Å; P37-S40 PolarHBondContact O-OG 3.08Å; P37-S40 VanDerWaalsContact O-OG 3.06Å; P37-K42 VanDerWaalsContact C-NZ 3.34Å; P37-K42 PolarHBondContact O-NZ 3.46Å
38N86.7Confident89.5Confident125 Ų12522.5 Ų22.567%0.66815%0.152SC*.THydrogen-bonded Turntrans-59.7134.7176-71.1-12.8000110.5S40 L1193N38-S40 VanDerWaalsContact C-N 3.34Å; N38-L1193 WeakPolarHBondContact OD1-CD1 3.26Å
39G83.5Confident89.4Confident63 Ų6322.3 Ų22.365%0.64915%0.151SC*.THydrogen-bonded Turntrans78.95.6-176.300000115.9P37 G41P37-G39 PolarHBondContact O-N 3.22Å; G39-G41 PolarHBondContact O-N 3.02Å
40S87.2Confident89.4Confident0 Ų020.7 Ų20.70%014%0.14CC..SBendtrans-72.4-11.7179.170.10000115.3P37 N38 K42 I1207 S1218P37-S40 VanDerWaalsContact O-CB 3.31Å; P37-S40 WeakPolarHBondContact O-CB 3.36Å; P37-S40 PolarHBondContact O-N 3.08Å; P37-S40 PolarHBondContact O-OG 3.08Å; P37-S40 VanDerWaalsContact O-OG 3.06Å; N38-S40 VanDerWaalsContact C-N 3.34Å; S40-K42 WeakPolarHBondContact OG-CG 3.31Å; S40-I1207 WeakPolarHBondContact CB-O 3.32Å; S40-I1207 WeakPolarHBondContact O-CG2 3.1Å; S40-I1207 PolarHBondContact OG-O 3.02Å; S40-S1218 WeakPolarHBondContact O-CB 3.36Å; S40-S1218 PolarHBondContact O-OG 2.97Å
41G85.4Confident89.5Confident10 Ų1018.8 Ų18.810%0.10313%0.128CC..SBendtrans101.812-176.700000115.2Y19 G39 S43 N44Y19-G41 PolarHBondContact OH-O 3.16Å; G39-G41 PolarHBondContact O-N 3.02Å; G41-S43 PolarHBondContact O-N 2.88Å; G41-N44 WeakPolarHBondContact O-CB 3.45Å; G41-N44 PolarHBondContact O-N 3.42Å; G41-N44 VanDerWaalsContact O-N 3.1Å
42K88.8Confident89.6Confident6 Ų618.8 Ų18.83%0.02613%0.128CC..Hα-helixtrans-50.7-53.4175.4-56.9-174.1-63.1-81.20112.6I34 G36 P37 S40 N44 L45 I1191 I1207I34-K42 HydrophobicContact CG2-CB 4.39Å; I34-K42 HydrophobicContact CG2-CG 4.44Å; G36-K42 WeakPolarHBondContact O-CE 3.29Å; G36-K42 PolarHBondContact O-NZ 3.43Å; P37-K42 VanDerWaalsContact C-NZ 3.34Å; P37-K42 PolarHBondContact O-NZ 3.46Å; S40-K42 WeakPolarHBondContact OG-CG 3.31Å; K42-N44 PolarHBondContact O-N 3.42Å; K42-N44 VanDerWaalsContact O-N 3.16Å; K42-L45 WeakPolarHBondContact O-CB 3.36Å; K42-L45 PolarHBondContact O-N 3.12Å; K42-I1191 HydrophobicContact CB-CG2 3.98Å; K42-I1191 HydrophobicContact CD-CG2 4.18Å; K42-I1207 HydrophobicContact CB-CD1 4.35Å; K42-I1207 HydrophobicContact CG-CB 4.19Å; K42-I1207 HydrophobicContact CG-CD1 4.28Å
43S86.2Confident89.3Confident20 Ų2019.3 Ų19.314%0.1413%0.131CC..Hα-helixtrans-67.1-21.3-177-380000112.8G41 L45 M46 D47 R61G41-S43 PolarHBondContact O-N 2.88Å; S43-L45 PolarHBondContact O-N 2.91Å; S43-M46 WeakPolarHBondContact O-CB 3.47Å; S43-M46 PolarHBondContact O-N 3.21Å; S43-M46 VanDerWaalsContact O-N 3.07Å; S43-D47 PolarHBondContact O-N 3.01Å; S43-D47 VanDerWaalsContact O-N 3.12Å; S43-R61 PolarHBondContact O-NH2 2.94Å
44N89.7Confident89Confident36 Ų3620.1 Ų20.119%0.19314%0.139CC..Hα-helixtrans-65.3-23.5173.6-68.6-22.3000112K17 S18 Y19 G41 K42 D47 A48K17-N44 HydrophobicContact CB-CB 4.33Å; K17-N44 HydrophobicContact CD-CB 4.05Å; K17-N44 WeakPolarHBondContact CD-OD1 3.4Å; S18-N44 PolarHBondContact OG-ND2 3.41Å; Y19-N44 HydrophobicContact CE2-CB 4.01Å; G41-N44 WeakPolarHBondContact O-CB 3.45Å; G41-N44 PolarHBondContact O-N 3.42Å; G41-N44 VanDerWaalsContact O-N 3.1Å; K42-N44 PolarHBondContact O-N 3.42Å; K42-N44 VanDerWaalsContact O-N 3.16Å; N44-D47 PolarHBondContact O-N 2.89Å; N44-A48 PolarHBondContact O-N 3.18Å
45L89.5Confident88.5Confident0 Ų020.8 Ų20.80%014%0.142CC..Hα-helixtrans-67.7-41.1170.9176.750000111.3I11 I25 I34 K42 S43 D47 A48 I49 I1207I11-L45 HydrophobicContact CD1-CD1 3.82Å; I25-L45 HydrophobicContact CB-CD1 4.45Å; I25-L45 HydrophobicContact CD1-CD1 3.72Å; I25-L45 HydrophobicContact CD1-CD2 4.07Å; I25-L45 HydrophobicContact CD1-CG 4.34Å; I25-L45 HydrophobicContact CG2-CD1 4.21Å; I25-L45 HydrophobicContact CG2-CD2 3.71Å; I34-L45 HydrophobicContact CD1-CD2 3.44Å; I34-L45 VanDerWaalsContact CD1-CD2 3.44Å; I34-L45 HydrophobicContact CD1-CG 4.32Å; I34-L45 HydrophobicContact CG1-CD2 4.06Å; I34-L45 HydrophobicContact CG2-CD2 4.35Å; K42-L45 WeakPolarHBondContact O-CB 3.36Å; K42-L45 PolarHBondContact O-N 3.12Å; S43-L45 PolarHBondContact O-N 2.91Å; L45-D47 VanDerWaalsContact C-N 3.3Å; L45-D47 PolarHBondContact O-N 3.44Å; L45-A48 WeakPolarHBondContact O-CB 3.36Å; L45-A48 PolarHBondContact O-N 2.89Å; L45-A48 VanDerWaalsContact O-N 3.1Å; L45-I49 HydrophobicContact CD1-CD1 4.31Å; L45-I49 HydrophobicContact CD1-CG1 4.4Å; L45-I49 HydrophobicContact CG-CD1 4.33Å; L45-I49 WeakPolarHBondContact O-CG1 3.45Å; L45-I49 PolarHBondContact O-N 3.45Å; L45-I1207 HydrophobicContact CD2-CD1 4.12Å
46M87.8Confident87.8Confident0 Ų023.3 Ų23.30%016%0.156CC..Hα-helixtrans-61.9-41.1174-164.8-169.3-168.700111.5S43 A48 I49 S50 L138 V139 F140 D1160 I1191S43-M46 WeakPolarHBondContact O-CB 3.47Å; S43-M46 PolarHBondContact O-N 3.21Å; S43-M46 VanDerWaalsContact O-N 3.07Å; M46-A48 VanDerWaalsContact C-N 3.29Å; M46-A48 PolarHBondContact O-N 3.47Å; M46-I49 PolarHBondContact O-N 3.35Å; M46-S50 VanDerWaalsContact O-CB 3.24Å; M46-S50 WeakPolarHBondContact O-CB 3.26Å; M46-S50 PolarHBondContact O-N 3.17Å; M46-S50 PolarHBondContact O-OG 2.98Å; M46-L138 HydrophobicContact CE-CB 4.42Å; M46-L138 HydrophobicContact CE-CD2 4.1Å; M46-V139 WeakPolarHBondContact CE-O 3.44Å; M46-F140 HydrophobicContact CE-CB 4.31Å; M46-F140 HydrophobicContact CE-CD1 3.72Å; M46-F140 HydrophobicContact CE-CD2 4.37Å; M46-F140 HydrophobicContact CE-CE1 4.07Å; M46-F140 HydrophobicContact CE-CG 3.88Å; M46-F140 HydrophobicContact CG-CD1 4.41Å; M46-F140 HydrophobicContact CG-CE1 4.37Å; M46-F140 HydrophobicContact SD-CB 4.33Å; M46-F140 HydrophobicContact SD-CD1 3.42Å; M46-F140 WeakPolarHBondContact SD-CD1 3.27Å; M46-F140 HydrophobicContact SD-CE1 3.92Å; M46-F140 HydrophobicContact SD-CG 4.04Å; M46-D1160 HydrophobicContact CE-CB 4.14Å; M46-D1160 HydrophobicContact SD-CB 3.45Å; M46-D1160 WeakPolarHBondContact SD-CB 3.44Å; M46-I1191 HydrophobicContact CB-CD1 4.1Å
47D89.5Confident87.4Confident0 Ų023.5 Ų23.50%015%0.153CC..Hα-helixtrans-64-35.4173.8-66.1-36.3000111.8Y16 K17 S43 N44 L45 F51 L60 R61Y16-D47 VanDerWaalsContact OH-C 3.27Å; Y16-D47 PolarHBondContact OH-O 3.49Å; K17-D47 VanDerWaalsContact NZ-CG 3.33Å; K17-D47 IonicContact NZ-OD2 3.99Å; K17-D47 PolarHBondContact NZ-OD2 2.96Å; S43-D47 PolarHBondContact O-N 3.01Å; S43-D47 VanDerWaalsContact O-N 3.12Å; N44-D47 PolarHBondContact O-N 2.89Å; L45-D47 VanDerWaalsContact C-N 3.3Å; L45-D47 PolarHBondContact O-N 3.44Å; D47-F51 WeakPolarHBondContact O-CB 3.46Å; D47-F51 PolarHBondContact O-N 3.24Å; D47-L60 HydrophobicContact CB-CD2 4.21Å; D47-L60 WeakPolarHBondContact O-CD2 3.38Å; D47-R61 IonicContact OD1-CZ 3.98Å; D47-R61 IonicContact OD1-NE 3.09Å; D47-R61 PolarHBondContact OD1-NE 3Å; D47-R61 IonicContact OD1-NH2 3.73Å; D47-R61 PolarHBondContact OD1-NH2 3.46Å; D47-R61 IonicContact OD2-CZ 3.5Å; D47-R61 IonicContact OD2-NE 3.85Å; D47-R61 PolarHBondContact OD2-NE 3.1Å; D47-R61 VanDerWaalsContact OD2-NE 3.11Å; D47-R61 IonicContact OD2-NH2 2.92Å; D47-R61 PolarHBondContact OD2-NH2 3.26Å
48A92Very high86.8Confident0 Ų030.2 Ų30.20%017%0.169CC..Hα-helixtrans-65-46.817600000112.1L13 Y16 N44 L45 M46 S50 F51 V52 V84L13-A48 HydrophobicContact CD2-CB 3.46Å; L13-A48 VanDerWaalsContact CD2-CB 3.46Å; Y16-A48 HydrophobicContact CD1-CB 4.13Å; Y16-A48 HydrophobicContact CE1-CB 3.72Å; Y16-A48 PolarHBondContact OH-N 3.12Å; N44-A48 PolarHBondContact O-N 3.18Å; L45-A48 WeakPolarHBondContact O-CB 3.36Å; L45-A48 PolarHBondContact O-N 2.89Å; L45-A48 VanDerWaalsContact O-N 3.1Å; M46-A48 VanDerWaalsContact C-N 3.29Å; M46-A48 PolarHBondContact O-N 3.47Å; A48-S50 VanDerWaalsContact C-N 3.35Å; A48-F51 PolarHBondContact O-N 2.97Å; A48-V52 PolarHBondContact O-N 3.18Å; A48-V84 HydrophobicContact CB-CG1 4.07Å; A48-V84 HydrophobicContact CB-CG2 4.36Å
49I90.2Very high86.4Confident2 Ų228.6 Ų28.61%0.0116%0.157CC..Hα-helixtrans-58.9-49.8174.9-66.4165.2000109.7I11 L45 M46 F51 V52 L53 L138 F1156 V1158I11-I49 HydrophobicContact CD1-CD1 3.81Å; I11-I49 HydrophobicContact CD1-CG1 3.3Å; L45-I49 HydrophobicContact CD1-CD1 4.31Å; L45-I49 HydrophobicContact CD1-CG1 4.4Å; L45-I49 HydrophobicContact CG-CD1 4.33Å; L45-I49 WeakPolarHBondContact O-CG1 3.45Å; L45-I49 PolarHBondContact O-N 3.45Å; M46-I49 PolarHBondContact O-N 3.35Å; I49-F51 VanDerWaalsContact C-N 3.3Å; I49-F51 PolarHBondContact O-N 3.38Å; I49-V52 VanDerWaalsContact O-CG1 3.25Å; I49-V52 WeakPolarHBondContact O-CG1 3.28Å; I49-V52 PolarHBondContact O-N 2.98Å; I49-L53 HydrophobicContact CG2-CD1 3.67Å; I49-L53 HydrophobicContact CG2-CG 4.4Å; I49-L53 WeakPolarHBondContact O-CB 3.34Å; I49-L53 WeakPolarHBondContact O-CG 3.4Å; I49-L53 PolarHBondContact O-N 2.87Å; I49-L138 HydrophobicContact CG2-CD2 3.97Å; I49-F1156 HydrophobicContact CG2-CE2 4.31Å; I49-V1158 HydrophobicContact CD1-CG1 4.23Å; I49-V1158 HydrophobicContact CD1-CG2 4.27Å; I49-V1158 HydrophobicContact CG2-CG2 4.42Å
50S89.2Confident86.3Confident0 Ų025.6 Ų25.60%013%0.126CC..Hα-helixtrans-56.8-45.3177.1-650000111.5M46 A48 L53 G54 E55 F140M46-S50 VanDerWaalsContact O-CB 3.24Å; M46-S50 WeakPolarHBondContact O-CB 3.26Å; M46-S50 PolarHBondContact O-N 3.17Å; M46-S50 PolarHBondContact O-OG 2.98Å; A48-S50 VanDerWaalsContact C-N 3.35Å; S50-L53 CarbonylContact O-C 3.56Å; S50-L53 PolarHBondContact O-N 2.88Å; S50-G54 PolarHBondContact O-N 2.77Å; S50-E55 WeakPolarHBondContact O-CB 3.35Å; S50-E55 WeakPolarHBondContact O-CG 3.14Å; S50-E55 PolarHBondContact O-N 3.26Å; S50-F140 WeakPolarHBondContact OG-CZ 3.46Å
51F91.8Very high86.2Confident0 Ų031.4 Ų31.40%015%0.148CC..Hα-helixtrans-63.3-46.8-178.1175.9-109.9000112.2Y16 D47 A48 I49 L53 G54 L60 L65 L68 V84 R100 I102Y16-F51 HydrophobicContact CE2-CB 4.45Å; Y16-F51 AromaticContact CE2-CD1 3.97Å; Y16-F51 HydrophobicContact CE2-CD1 3.97Å; Y16-F51 HydrophobicContact CE2-CG 4.21Å; D47-F51 WeakPolarHBondContact O-CB 3.46Å; D47-F51 PolarHBondContact O-N 3.24Å; A48-F51 PolarHBondContact O-N 2.97Å; I49-F51 VanDerWaalsContact C-N 3.3Å; I49-F51 PolarHBondContact O-N 3.38Å; F51-L53 VanDerWaalsContact C-N 3.33Å; F51-G54 PolarHBondContact O-N 2.81Å; F51-L60 HydrophobicContact CB-CD1 3.87Å; F51-L60 HydrophobicContact CB-CD2 4.24Å; F51-L60 HydrophobicContact CD2-CD1 3.6Å; F51-L60 HydrophobicContact CG-CD1 4.19Å; F51-L65 HydrophobicContact CE2-CD2 3.84Å; F51-L65 HydrophobicContact CZ-CD2 4.5Å; F51-L68 HydrophobicContact CD2-CD1 3.9Å; F51-L68 HydrophobicContact CE2-CD1 3.89Å; F51-V84 HydrophobicContact CD1-CB 4.01Å; F51-V84 HydrophobicContact CD1-CG2 3.65Å; F51-V84 HydrophobicContact CE1-CB 4.46Å; F51-V84 HydrophobicContact CE1-CG2 4.14Å; F51-R100 HydrophobicContact CD1-CB 4.21Å; F51-R100 HydrophobicContact CD1-CG 4.43Å; F51-R100 HydrophobicContact CE1-CB 3.67Å; F51-R100 HydrophobicContact CE1-CG 3.69Å; F51-R100 VanDerWaalsContact CE2-CD 3.48Å; F51-R100 HydrophobicContact CE2-CG 4.11Å; F51-R100 HydrophobicContact CZ-CB 4.03Å; F51-R100 HydrophobicContact CZ-CG 3.48Å; F51-R100 VanDerWaalsContact CZ-CG 3.48Å; F51-R100 WeakPolarHBondContact O-CD 3.16Å; F51-R100 PolarHBondContact O-NH1 2.91Å; F51-I102 HydrophobicContact CE1-CD1 3.99Å; F51-I102 HydrophobicContact CE1-CG1 3.96Å; F51-I102 HydrophobicContact CE2-CD1 3.98Å; F51-I102 HydrophobicContact CE2-CG1 4.1Å; F51-I102 HydrophobicContact CZ-CD1 3.48Å; F51-I102 VanDerWaalsContact CZ-CD1 3.48Å; F51-I102 HydrophobicContact CZ-CG1 3.3Å
52V92.5Very high86.2Confident1 Ų132.1 Ų32.11%0.00615%0.15CC..Hα-helixtrans-68.3-34.217970.50000111.7A48 I49 G54 V84 A86 F98 Y121A48-V52 PolarHBondContact O-N 3.18Å; I49-V52 VanDerWaalsContact O-CG1 3.25Å; I49-V52 WeakPolarHBondContact O-CG1 3.28Å; I49-V52 PolarHBondContact O-N 2.98Å; V52-G54 PolarHBondContact O-N 2.73Å; V52-G54 VanDerWaalsContact O-N 3.17Å; V52-V84 HydrophobicContact CB-CB 4.34Å; V52-V84 HydrophobicContact CB-CG1 3.92Å; V52-V84 HydrophobicContact CG1-CG1 4.26Å; V52-A86 HydrophobicContact CG1-CB 3.89Å; V52-A86 HydrophobicContact CG2-CB 4.18Å; V52-F98 HydrophobicContact CG2-CB 4.41Å; V52-F98 WeakPolarHBondContact CG2-O 3.03Å; V52-Y121 WeakPolarHBondContact O-CE1 3.35Å; V52-Y121 PolarHBondContact O-OH 2.79Å
53L88.5Confident86Confident11 Ų1143 Ų436%0.05819%0.191CC..THydrogen-bonded Turntrans-78.18.2175.2-60178000114I49 S50 F51 L125 I130 M132 F137 L138 F1156I49-L53 HydrophobicContact CG2-CD1 3.67Å; I49-L53 HydrophobicContact CG2-CG 4.4Å; I49-L53 WeakPolarHBondContact O-CB 3.34Å; I49-L53 WeakPolarHBondContact O-CG 3.4Å; I49-L53 PolarHBondContact O-N 2.87Å; S50-L53 CarbonylContact O-C 3.56Å; S50-L53 PolarHBondContact O-N 2.88Å; F51-L53 VanDerWaalsContact C-N 3.33Å; L53-L125 HydrophobicContact CD2-CD2 4.05Å; L53-I130 HydrophobicContact CD2-CD1 4.33Å; L53-I130 HydrophobicContact CD2-CG2 4.21Å; L53-M132 WeakPolarHBondContact O-CG 3.35Å; L53-F137 HydrophobicContact CD1-CE2 3.44Å; L53-F137 VanDerWaalsContact CD1-CE2 3.44Å; L53-F137 HydrophobicContact CD1-CZ 3.87Å; L53-L138 HydrophobicContact CD1-CD1 4.25Å; L53-F1156 HydrophobicContact CD1-CE2 4.01Å; L53-F1156 HydrophobicContact CD1-CZ 3.76Å; L53-F1156 HydrophobicContact CD2-CZ 4.38Å
54G85.7Confident86Confident17 Ų1750.1 Ų50.118%0.17522%0.215CC..THydrogen-bonded Turntrans94.816.1168.500000115.9S50 F51 V52S50-G54 PolarHBondContact O-N 2.77Å; F51-G54 PolarHBondContact O-N 2.81Å; V52-G54 PolarHBondContact O-N 2.73Å; V52-G54 VanDerWaalsContact O-N 3.17Å
55E82.8Confident85.9Confident13 Ų1349.7 Ų49.76%0.06121%0.212CC..  trans-61.6150177.8-83-71.3-178.900113.4S50 H59 L60 R100 K135S50-E55 WeakPolarHBondContact O-CB 3.35Å; S50-E55 WeakPolarHBondContact O-CG 3.14Å; S50-E55 PolarHBondContact O-N 3.26Å; E55-H59 IonicContact OE2-CE1 2.88Å; E55-H59 IonicContact OE2-CG 3.64Å; E55-H59 IonicContact OE2-ND1 3.65Å; E55-H59 PolarHBondContact OE2-ND1 3.45Å; E55-L60 HydrophobicContact CB-CD2 4.07Å; E55-L60 HydrophobicContact CB-CG 4.39Å; E55-R100 PolarHBondContact O-NH1 2.83Å; E55-K135 WeakPolarHBondContact OE1-CD 3.46Å; E55-K135 WeakPolarHBondContact OE1-CE 3.47Å; E55-K135 IonicContact OE1-NZ 3.15Å; E55-K135 PolarHBondContact OE1-NZ 2.79Å; E55-K135 IonicContact OE2-NZ 2.78Å; E55-K135 PolarHBondContact OE2-NZ 2.74Å
56N80.1Confident85.9Confident89 Ų8952 Ų5248%0.47623%0.225SC..  trans-76.7146.7175.8-159.9-19.4000110.1R58 H59N56-R58 PolarHBondContact O-N 3.46Å; N56-H59 PolarHBondContact O-N 3.3Å
57T79.4Confident85.9Confident28 Ų2854.1 Ų54.117%0.17224%0.236CC..G310 helixtrans-54-33.3-177.552.40000113.2H59 L60 V62 L65T57-H59 PolarHBondContact O-N 2.87Å; T57-L60 PolarHBondContact O-N 2.78Å; T57-L60 VanDerWaalsContact O-N 3.1Å; T57-V62 VanDerWaalsContact O-O 3.13Å; T57-L65 HydrophobicContact CG2-CD1 4.11Å; T57-L65 HydrophobicContact CG2-CD2 3.94Å; T57-L65 HydrophobicContact CG2-CG 3.55Å
58R77.1Confident86Confident213 Ų21354.1 Ų54.180%0.80424%0.236SC*.G310 helixtrans-58.7-29.6178.2-63.9-175.3-178.1-177.70.8113.5N56N56-R58 PolarHBondContact O-N 3.46Å
59H78.4Confident86Confident92 Ų9254.3 Ų54.343%0.42624%0.237SC..G310 helixtrans-90-16.3179.4-54.2122.6000112.9E55 N56 T57 R61 K135E55-H59 IonicContact OE2-CE1 2.88Å; E55-H59 IonicContact OE2-CG 3.64Å; E55-H59 IonicContact OE2-ND1 3.65Å; E55-H59 PolarHBondContact OE2-ND1 3.45Å; N56-H59 PolarHBondContact O-N 3.3Å; T57-H59 PolarHBondContact O-N 2.87Å; H59-R61 PolarHBondContact O-N 3.49Å; H59-K135 PolarHBondContact CE1-NZ 2.95Å; H59-K135 VanDerWaalsContact CE1-NZ 3.29Å; H59-K135 PolarHBondContact ND1-NZ 2.88Å
60L81.4Confident86Confident0 Ų054.3 Ų54.30%024%0.237CC..THydrogen-bonded Turntrans-86.420.6-173.8-61.4175.9000114K17 D47 F51 E55 T57 V62 L68K17-L60 PolarHBondContact NZ-O 3.24Å; D47-L60 HydrophobicContact CB-CD2 4.21Å; D47-L60 WeakPolarHBondContact O-CD2 3.38Å; F51-L60 HydrophobicContact CB-CD1 3.87Å; F51-L60 HydrophobicContact CB-CD2 4.24Å; F51-L60 HydrophobicContact CD2-CD1 3.6Å; F51-L60 HydrophobicContact CG-CD1 4.19Å; E55-L60 HydrophobicContact CB-CD2 4.07Å; E55-L60 HydrophobicContact CB-CG 4.39Å; T57-L60 PolarHBondContact O-N 2.78Å; T57-L60 VanDerWaalsContact O-N 3.1Å; L60-V62 HydrophobicContact CB-CG2 3.97Å; L60-V62 PolarHBondContact O-N 3.32Å; L60-V62 VanDerWaalsContact O-N 3.1Å; L60-L68 HydrophobicContact CD1-CD1 4.27Å
61R85Confident85.8Confident122 Ų12254.7 Ų54.746%0.4624%0.241SC..THydrogen-bonded Turntrans51.533-177.9-59.4177.5-69.5-164.7-8.9114S43 D47 H59S43-R61 PolarHBondContact O-NH2 2.94Å; D47-R61 IonicContact OD1-CZ 3.98Å; D47-R61 IonicContact OD1-NE 3.09Å; D47-R61 PolarHBondContact OD1-NE 3Å; D47-R61 IonicContact OD1-NH2 3.73Å; D47-R61 PolarHBondContact OD1-NH2 3.46Å; D47-R61 IonicContact OD2-CZ 3.5Å; D47-R61 IonicContact OD2-NE 3.85Å; D47-R61 PolarHBondContact OD2-NE 3.1Å; D47-R61 VanDerWaalsContact OD2-NE 3.11Å; D47-R61 IonicContact OD2-NH2 2.92Å; D47-R61 PolarHBondContact OD2-NH2 3.26Å; H59-R61 PolarHBondContact O-N 3.49Å
62V85.5Confident85.6Confident25 Ų2556 Ų5615%0.15225%0.25CC..  trans-138.1154176.6-70.10000110.8T57 L60 D67 L68T57-V62 VanDerWaalsContact O-O 3.13Å; L60-V62 HydrophobicContact CB-CG2 3.97Å; L60-V62 PolarHBondContact O-N 3.32Å; L60-V62 VanDerWaalsContact O-N 3.1Å; V62-D67 HydrophobicContact CB-CB 4.2Å; V62-D67 HydrophobicContact CG1-CB 4.16Å; V62-L68 HydrophobicContact CB-CD2 4.35Å; V62-L68 HydrophobicContact CG1-CD2 3.84Å; V62-L68 HydrophobicContact CG2-CD1 4.45Å; V62-L68 HydrophobicContact CG2-CD2 3.65Å; V62-L68 HydrophobicContact CG2-CG 3.95Å
63R84.1Confident85.1Confident234 Ų23461.7 Ų61.788%0.88328%0.284SS*.SBendtrans-89.3-39.7178.2-69.9-174.6177.6-170.6-0.3112.2
64R85.9Confident84.8Confident169 Ų16965.4 Ų65.464%0.63831%0.308SS*.SBendtrans-123.2149.8-177.9-58.4177.6-178.31750.7110.3N66 D67R64-N66 PolarHBondContact O-N 2.59Å; R64-D67 PolarHBondContact N-OD2 2.67Å; R64-D67 WeakPolarHBondContact O-CB 3.48Å; R64-D67 PolarHBondContact O-N 3.42Å
65L87.4Confident84.7Confident27 Ų2767.6 Ų67.614%0.14133%0.33CS..G310 helixtrans-56.3-38.8173.4-86.8150.1000112F51 T57 D67 L68 I102 N105F51-L65 HydrophobicContact CE2-CD2 3.84Å; F51-L65 HydrophobicContact CZ-CD2 4.5Å; T57-L65 HydrophobicContact CG2-CD1 4.11Å; T57-L65 HydrophobicContact CG2-CD2 3.94Å; T57-L65 HydrophobicContact CG2-CG 3.55Å; L65-D67 PolarHBondContact O-N 3.42Å; L65-L68 HydrophobicContact CD2-CD1 4.21Å; L65-L68 VanDerWaalsContact O-CB 3.27Å; L65-L68 WeakPolarHBondContact O-CB 3.44Å; L65-L68 PolarHBondContact O-N 3.1Å; L65-I102 HydrophobicContact CB-CG2 4.27Å; L65-I102 HydrophobicContact CD2-CD1 4.32Å; L65-I102 HydrophobicContact CD2-CG1 4.32Å; L65-N105 WeakPolarHBondContact CD1-O 3.32Å
66N88.7Confident84.8Confident48 Ų4874.6 Ų74.626%0.25736%0.36SS..G310 helixtrans-57.4-27.9176.2-96.8-26.4000114.2R64 L68 I69 S72 G104 N105R64-N66 PolarHBondContact O-N 2.59Å; N66-L68 PolarHBondContact O-N 2.83Å; N66-I69 PolarHBondContact O-N 3.07Å; N66-S72 WeakPolarHBondContact O-CB 3.47Å; N66-S72 PolarHBondContact O-OG 3.02Å; N66-G104 VanDerWaalsContact CG-C 3.42Å; N66-G104 WeakPolarHBondContact OD1-CA 3.41Å; N66-G104 PolarHBondContact OD1-O 2.96Å; N66-N105 PolarHBondContact ND2-OD1 3.25Å
67D89.1Confident85.1Confident45 Ų4573.9 Ų73.924%0.24136%0.36CS..G310 helixtrans-72.7-12.7-179.8-54.8-25.8000111.9V62 R64 L65 I69 V73V62-D67 HydrophobicContact CB-CB 4.2Å; V62-D67 HydrophobicContact CG1-CB 4.16Å; R64-D67 PolarHBondContact N-OD2 2.67Å; R64-D67 WeakPolarHBondContact O-CB 3.48Å; R64-D67 PolarHBondContact O-N 3.42Å; L65-D67 PolarHBondContact O-N 3.42Å; D67-I69 VanDerWaalsContact C-N 3.3Å; D67-V73 HydrophobicContact CB-CG2 4.39Å
68L91.2Very high85.3Confident0 Ų075.9 Ų75.90%037%0.372CS..G310 helixtrans-78.3-14173.4-62.9173.7000112.7Y16 K17 F51 L60 V62 L65 N66 I102Y16-L68 CarbonylContact C-O 3.27Å; Y16-L68 WeakPolarHBondContact CA-O 3.47Å; Y16-L68 HydrophobicContact CD2-CB 4.32Å; Y16-L68 HydrophobicContact CE2-CB 4.02Å; Y16-L68 HydrophobicContact CE2-CD1 4.21Å; Y16-L68 HydrophobicContact CE2-CD2 3.99Å; Y16-L68 HydrophobicContact CE2-CG 4.3Å; K17-L68 HydrophobicContact CD-CD2 4.22Å; K17-L68 HydrophobicContact CG-CD2 4Å; K17-L68 PolarHBondContact N-O 3.38Å; F51-L68 HydrophobicContact CD2-CD1 3.9Å; F51-L68 HydrophobicContact CE2-CD1 3.89Å; L60-L68 HydrophobicContact CD1-CD1 4.27Å; V62-L68 HydrophobicContact CB-CD2 4.35Å; V62-L68 HydrophobicContact CG1-CD2 3.84Å; V62-L68 HydrophobicContact CG2-CD1 4.45Å; V62-L68 HydrophobicContact CG2-CD2 3.65Å; V62-L68 HydrophobicContact CG2-CG 3.95Å; L65-L68 HydrophobicContact CD2-CD1 4.21Å; L65-L68 VanDerWaalsContact O-CB 3.27Å; L65-L68 WeakPolarHBondContact O-CB 3.44Å; L65-L68 PolarHBondContact O-N 3.1Å; N66-L68 PolarHBondContact O-N 2.83Å; L68-I102 HydrophobicContact CB-CD1 3.49Å; L68-I102 VanDerWaalsContact CB-CD1 3.49Å; L68-I102 HydrophobicContact CD1-CD1 3.51Å; L68-I102 HydrophobicContact CG-CD1 4.1Å
69I91.4Very high85.8Confident4 Ų467.1 Ų67.12%0.02135%0.345CS..BIsolated β-bridgetrans-76.6132.5174.8-56.1172.3000108.5N66 D67 G71 S72 P77 A82 I102N66-I69 PolarHBondContact O-N 3.07Å; D67-I69 VanDerWaalsContact C-N 3.3Å; I69-G71 PolarHBondContact O-N 3.41Å; I69-S72 VanDerWaalsContact O-CB 3.26Å; I69-S72 WeakPolarHBondContact O-CB 3.45Å; I69-S72 PolarHBondContact O-N 3.11Å; I69-S72 PolarHBondContact O-OG 3.02Å; I69-P77 HydrophobicContact CG2-CB 4.39Å; I69-A82 HydrophobicContact CB-CB 4.43Å; I69-A82 HydrophobicContact CG1-CB 3.93Å; I69-I102 HydrophobicContact CD1-CG2 4.49Å; I69-I102 HydrophobicContact CG1-CG2 4.48Å
70H90.1Very high86.3Confident3 Ų371.8 Ų71.81%0.01437%0.365CS..THydrogen-bonded Turntrans-55.8130.5-178.7179.680.5000111.5N15 K17 S72 P77 V78 C1215 L1216N15-H70 HydrophobicContact CB-CB 4.49Å; N15-H70 WeakPolarHBondContact O-CB 2.94Å; N15-H70 PolarHBondContact O-N 2.82Å; K17-H70 VanDerWaalsContact O-CA 3.26Å; K17-H70 WeakPolarHBondContact O-CA 3.41Å; K17-H70 WeakPolarHBondContact O-CB 3.33Å; K17-H70 PolarHBondContact O-ND1 3.01Å; H70-S72 VanDerWaalsContact C-N 3.31Å; H70-S72 PolarHBondContact O-N 2.91Å; H70-P77 WeakPolarHBondContact O-CA 3.46Å; H70-V78 HydrophobicContact CB-CG2 3.9Å; H70-V78 PolarHBondContact O-N 2.79Å; H70-C1215 PolarHBondContact CE1-SG 3.47Å; H70-C1215 PolarHBondContact NE2-SG 3.35Å; H70-L1216 PolarHBondContact CE1-O 3.44Å
71G86.1Confident86.8Confident8 Ų873.9 Ų73.98%0.08238%0.379CS..THydrogen-bonded Turntrans82.7-9.2-178.200000115.8I69 V73 V74 G75 K76I69-G71 PolarHBondContact O-N 3.41Å; G71-V73 VanDerWaalsContact C-N 3.32Å; G71-V73 PolarHBondContact O-N 3.08Å; G71-V74 PolarHBondContact O-N 3.26Å; G71-V74 VanDerWaalsContact O-N 3.17Å; G71-G75 PolarHBondContact O-N 3.38Å; G71-K76 CarbonylContact C-O 3.48Å; G71-K76 WeakPolarHBondContact CA-O 3.45Å; G71-K76 CarbonylContact O-C 3.55Å; G71-K76 VanDerWaalsContact O-C 3.27Å; G71-K76 PolarHBondContact O-N 3.4Å
72S86.4Confident87.3Confident26 Ų2668.1 Ų68.118%0.18236%0.358CS..G310 helixtrans-59.3-39.8178.1-73.40000113.1N66 I69 H70 V74 G75N66-S72 WeakPolarHBondContact O-CB 3.47Å; N66-S72 PolarHBondContact O-OG 3.02Å; I69-S72 VanDerWaalsContact O-CB 3.26Å; I69-S72 WeakPolarHBondContact O-CB 3.45Å; I69-S72 PolarHBondContact O-N 3.11Å; I69-S72 PolarHBondContact O-OG 3.02Å; H70-S72 VanDerWaalsContact C-N 3.31Å; H70-S72 PolarHBondContact O-N 2.91Å; S72-V74 PolarHBondContact O-N 3.49Å; S72-G75 PolarHBondContact O-N 3.17Å
73V82.7Confident87.7Confident121 Ų12167.8 Ų67.873%0.73336%0.356SS*.G310 helixtrans-66.8-26.4-179.3-172.30000112.1D67 G71 G75D67-V73 HydrophobicContact CB-CG2 4.39Å; G71-V73 VanDerWaalsContact C-N 3.32Å; G71-V73 PolarHBondContact O-N 3.08Å; V73-G75 VanDerWaalsContact C-N 3.32Å
74V83.1Confident88.3Confident90 Ų9056.6 Ų56.655%0.54531%0.314SS..G310 helixtrans-92.54.3176.3-1640000111.1G71 S72 K76G71-V74 PolarHBondContact O-N 3.26Å; G71-V74 VanDerWaalsContact O-N 3.17Å; S72-V74 PolarHBondContact O-N 3.49Å; V74-K76 VanDerWaalsContact C-N 3.29Å; V74-K76 PolarHBondContact O-N 2.88Å
75G83.5Confident88.8Confident62 Ų6249.2 Ų49.264%0.63929%0.288SS*.THydrogen-bonded Turntrans74.911.6-179.300000114.9G71 S72 V73G71-G75 PolarHBondContact O-N 3.38Å; S72-G75 PolarHBondContact O-N 3.17Å; V73-G75 VanDerWaalsContact C-N 3.32Å
76K84.7Confident89.1Confident161 Ų16148.2 Ų48.270%0.728%0.283SS*.  trans-130.971.9-178.6-65.7-176.1-177.9178.50110.7G71 V74 V78G71-K76 CarbonylContact C-O 3.48Å; G71-K76 WeakPolarHBondContact CA-O 3.45Å; G71-K76 CarbonylContact O-C 3.55Å; G71-K76 VanDerWaalsContact O-C 3.27Å; G71-K76 PolarHBondContact O-N 3.4Å; V74-K76 VanDerWaalsContact C-N 3.29Å; V74-K76 PolarHBondContact O-N 2.88Å; K76-V78 PolarHBondContact O-N 2.94Å
77P84.8Confident89.4Confident74 Ų7446 Ų4648%0.48127%0.271SS..  trans-62.8131.4179.427.1-34.1000110.8I69 H70 A79I69-P77 HydrophobicContact CG2-CB 4.39Å; H70-P77 WeakPolarHBondContact O-CA 3.46Å; P77-A79 VanDerWaalsContact C-N 3.31Å
78V85.5Confident89.6Confident70 Ų7044.3 Ų44.342%0.42426%0.262SS..SBendtrans-78.2-17-179.7-63.80000113.5N15 H70 K76N15-V78 HydrophobicContact CB-CG2 4.15Å; H70-V78 HydrophobicContact CB-CG2 3.9Å; H70-V78 PolarHBondContact O-N 2.79Å; K76-V78 PolarHBondContact O-N 2.94Å
79A87.5Confident89.6Confident28 Ų2845.8 Ų45.823%0.23127%0.268CS..  trans-148.9169.1-178.200000110.8N15 P77 S81N15-A79 HydrophobicContact CB-CB 4.27Å; P77-A79 VanDerWaalsContact C-N 3.31Å; A79-S81 WeakPolarHBondContact CB-O 3.39Å
80K88.2Confident89.5Confident191 Ų19147.4 Ų47.483%0.8328%0.276SS*.SBendtrans-88.2-10.1172.5-66.5-176.7-180178.50113.2
81S92.4Very high89.1Confident43 Ų4350.5 Ų50.530%0.30130%0.297SS..EExtended strand (participates in β ladder)trans-142156.9-177.254.50000111A79 I102A79-S81 WeakPolarHBondContact CB-O 3.39Å; S81-I102 WeakPolarHBondContact CA-O 3.28Å; S81-I102 WeakPolarHBondContact CB-O 3.18Å
82A94Very high89.1Confident2 Ų255.9 Ų55.92%0.01732%0.324CS..EExtended strand (participates in β ladder)trans-135.1147.9169.500000108.3E14 N15 I69 V101 I102E14-A82 VanDerWaalsContact O-CA 3.27Å; E14-A82 WeakPolarHBondContact O-CA 3.44Å; N15-A82 VanDerWaalsContact O-CB 3.28Å; N15-A82 WeakPolarHBondContact O-CB 2.98Å; I69-A82 HydrophobicContact CB-CB 4.43Å; I69-A82 HydrophobicContact CG1-CB 3.93Å; A82-V101 WeakPolarHBondContact O-CA 3.17Å; A82-I102 PolarHBondContact N-O 3.16Å; A82-I102 PolarHBondContact O-N 2.94Å
83S94.6Very high88.9Confident17 Ų1756.9 Ų56.912%0.11934%0.338CS..EExtended strand (participates in β ladder)trans-133146.6178.378.50000111.2E14E14-S83 WeakPolarHBondContact CB-OG 3.44Å; E14-S83 PolarHBondContact N-O 2.79Å; E14-S83 PolarHBondContact O-N 3.28Å; E14-S83 PolarHBondContact OE2-OG 2.86Å
84V96.4Very high89.2Confident0 Ų057 Ų570%033%0.33CS..EExtended strand (participates in β ladder)trans-127.2129.6168.2-1760000107.6I11 E12 L13 Y16 A48 F51 V52 S99 R100I11-V84 HydrophobicContact CG2-CG1 3.93Å; E12-V84 CarbonylContact O-C 3.52Å; E12-V84 WeakPolarHBondContact O-CA 3.47Å; L13-V84 HydrophobicContact CD2-CB 4.35Å; L13-V84 HydrophobicContact CD2-CG1 3.97Å; L13-V84 HydrophobicContact CD2-CG2 3.72Å; Y16-V84 HydrophobicContact CD1-CG2 4.4Å; Y16-V84 HydrophobicContact CD2-CG2 3.46Å; Y16-V84 VanDerWaalsContact CD2-CG2 3.46Å; Y16-V84 HydrophobicContact CE2-CG2 3.75Å; Y16-V84 HydrophobicContact CG-CG2 3.82Å; A48-V84 HydrophobicContact CB-CG1 4.07Å; A48-V84 HydrophobicContact CB-CG2 4.36Å; F51-V84 HydrophobicContact CD1-CB 4.01Å; F51-V84 HydrophobicContact CD1-CG2 3.65Å; F51-V84 HydrophobicContact CE1-CB 4.46Å; F51-V84 HydrophobicContact CE1-CG2 4.14Å; V52-V84 HydrophobicContact CB-CB 4.34Å; V52-V84 HydrophobicContact CB-CG1 3.92Å; V52-V84 HydrophobicContact CG1-CG1 4.26Å; V84-S99 CarbonylContact O-C 3.39Å; V84-S99 VanDerWaalsContact O-CA 3.26Å; V84-S99 WeakPolarHBondContact O-CA 3.38Å; V84-R100 PolarHBondContact N-O 2.81Å; V84-R100 PolarHBondContact O-N 3.45Å
85T96.5Very high89.7Confident14 Ų1455.7 Ų55.79%0.08632%0.319CS..EExtended strand (participates in β ladder)trans-126.4118.5177.8-58.40000110.2I11 E12 V87 R97 F98 S99I11-T85 CarbonylContact C-O 3.57Å; I11-T85 WeakPolarHBondContact CA-O 3.45Å; E12-T85 PolarHBondContact N-O 3.42Å; E12-T85 PolarHBondContact O-N 3.05Å; T85-V87 HydrophobicContact CG2-CG2 4.21Å; T85-R97 HydrophobicContact CG2-CB 4.16Å; T85-F98 CarbonylContact C-O 3.52Å; T85-F98 VanDerWaalsContact CA-O 3.27Å; T85-F98 WeakPolarHBondContact CA-O 3.15Å; T85-S99 WeakPolarHBondContact CB-OG 3.42Å; T85-S99 WeakPolarHBondContact CG2-OG 3.41Å; T85-S99 WeakPolarHBondContact OG1-CB 3.16Å; T85-S99 PolarHBondContact OG1-OG 2.81Å
86A94.5Very high90.1Very high6 Ų654.7 Ų54.75%0.0530%0.296CS..EExtended strand (participates in β ladder)trans-89.9124167.700000109.2L8 V52 F98L8-A86 HydrophobicContact CD1-CB 3.84Å; V52-A86 HydrophobicContact CG1-CB 3.89Å; V52-A86 HydrophobicContact CG2-CB 4.18Å; A86-F98 HydrophobicContact CB-CB 4.48Å; A86-F98 PolarHBondContact N-O 3.19Å; A86-F98 PolarHBondContact O-N 2.97Å
87V95.1Very high90.6Very high0 Ų050.6 Ų50.60%028%0.277CS..EExtended strand (participates in β ladder)trans-100.5110.3175.1-174.90000108.2K9 Y10 T85 E95 R97K9-V87 WeakPolarHBondContact CB-O 3.33Å; K9-V87 PolarHBondContact N-O 2.94Å; Y10-V87 HydrophobicContact CD1-CB 4.46Å; Y10-V87 HydrophobicContact CD2-CB 4.3Å; Y10-V87 HydrophobicContact CD2-CG2 4.05Å; Y10-V87 HydrophobicContact CE1-CB 4.15Å; Y10-V87 HydrophobicContact CE1-CG1 4.09Å; Y10-V87 HydrophobicContact CE1-CG2 4.38Å; Y10-V87 HydrophobicContact CE2-CB 4.01Å; Y10-V87 HydrophobicContact CE2-CG2 3.46Å; Y10-V87 VanDerWaalsContact CE2-CG2 3.46Å; Y10-V87 PolarHBondContact O-N 3.4Å; T85-V87 HydrophobicContact CG2-CG2 4.21Å; V87-E95 HydrophobicContact CG1-CB 4.2Å; V87-E95 HydrophobicContact CG1-CG 4.19Å; V87-R97 HydrophobicContact CG1-CG 4.41Å; V87-R97 HydrophobicContact CG2-CG 4.21Å
88Y93Very high91.1Very high11 Ų1147.3 Ų47.34%0.04326%0.255CS..EExtended strand (participates in β ladder)trans-102.6127.7-179-174.8-96.8000109.8G6 R7 M90 E95 K96 I128 P1155G6-Y88 VanDerWaalsContact C-OH 3.28Å; G6-Y88 WeakPolarHBondContact CA-OH 3.31Å; G6-Y88 PolarHBondContact N-OH 3.02Å; R7-Y88 WeakPolarHBondContact O-CD2 3.49Å; Y88-M90 HydrophobicContact CD1-CG 4.28Å; Y88-M90 HydrophobicContact CD1-SD 3.72Å; Y88-M90 HydrophobicContact CE1-CG 4.41Å; Y88-M90 HydrophobicContact CE1-SD 3.56Å; Y88-M90 VanDerWaalsContact CE1-SD 3.56Å; Y88-E95 CarbonylContact O-C 3.55Å; Y88-E95 WeakPolarHBondContact O-CA 3.48Å; Y88-K96 PolarHBondContact N-O 3.36Å; Y88-K96 PolarHBondContact O-N 3.28Å; Y88-I128 HydrophobicContact CD1-CD1 4.23Å; Y88-I128 HydrophobicContact CD1-CG2 4.34Å; Y88-I128 HydrophobicContact CD2-CD1 4.3Å; Y88-I128 HydrophobicContact CE1-CB 4.22Å; Y88-I128 HydrophobicContact CE1-CD1 4.32Å; Y88-I128 HydrophobicContact CE1-CG2 3.9Å; Y88-I128 HydrophobicContact CE2-CD1 4.41Å; Y88-I128 HydrophobicContact CG-CD1 4.19Å; Y88-P1155 HydrophobicContact CE2-CB 3.68Å; Y88-P1155 HydrophobicContact CE2-CG 3.71Å; Y88-P1155 WeakPolarHBondContact OH-CB 3.4Å
89E91.7Very high91.5Very high30 Ų3044.5 Ų44.514%0.1424%0.239CC..EExtended strand (participates in β ladder)trans-94.4116.7175.4-171.2170.9-99.400108.5G6 R7 K9G6-E89 CarbonylContact C-O 3.6Å; G6-E89 WeakPolarHBondContact CA-O 3.43Å; R7-E89 HydrophobicContact CG-CB 4.22Å; R7-E89 IonicContact CZ-OE2 2.74Å; R7-E89 PolarHBondContact N-O 3.22Å; R7-E89 IonicContact NE-OE2 3.48Å; R7-E89 PolarHBondContact NE-OE2 3.1Å; R7-E89 IonicContact NH2-OE2 3.8Å; R7-E89 PolarHBondContact NH2-OE2 3.26Å; R7-E89 PolarHBondContact O-N 3.4Å; K9-E89 HydrophobicContact CB-CB 4.48Å; K9-E89 WeakPolarHBondContact CE-OE1 3.36Å; K9-E89 IonicContact NZ-OE1 2.87Å; K9-E89 PolarHBondContact NZ-OE1 3.38Å
90M87.8Confident91.9Very high38 Ų3843.9 Ų43.919%0.18723%0.23CC..PPolyproline II helixtrans-72.3162176.8-64.3-70.5-6800110.5Y88 D92 G93 E94 K96 I128Y88-M90 HydrophobicContact CD1-CG 4.28Å; Y88-M90 HydrophobicContact CD1-SD 3.72Å; Y88-M90 HydrophobicContact CE1-CG 4.41Å; Y88-M90 HydrophobicContact CE1-SD 3.56Å; Y88-M90 VanDerWaalsContact CE1-SD 3.56Å; M90-D92 WeakPolarHBondContact CB-OD1 3.5Å; M90-D92 PolarHBondContact O-N 3.02Å; M90-G93 WeakPolarHBondContact O-CA 3.44Å; M90-G93 PolarHBondContact O-N 3.01Å; M90-E94 HydrophobicContact CB-CB 4.45Å; M90-E94 WeakPolarHBondContact CB-O 3.33Å; M90-E94 WeakPolarHBondContact CG-O 3.36Å; M90-E94 PolarHBondContact N-O 3.36Å; M90-K96 HydrophobicContact CG-CD 4.23Å; M90-K96 HydrophobicContact CG-CG 4.16Å; M90-K96 HydrophobicContact SD-CD 3.86Å; M90-K96 HydrophobicContact SD-CG 4.39Å; M90-I128 HydrophobicContact CE-CG2 4.28Å; M90-I128 HydrophobicContact SD-CG2 3.72Å
91P82.7Confident92.2Very high69 Ų6935.4 Ų35.445%0.44819%0.194SC..THydrogen-bonded Turntrans-58.1-28.1179-25.134.3000114.7N4 G93N4-P91 WeakPolarHBondContact O-CG 3.49Å; P91-G93 PolarHBondContact O-N 3.28Å
92D85.1Confident92.2Very high121 Ų12133.3 Ų33.365%0.64718%0.18SC*.THydrogen-bonded Turntrans-80.1-1175.759.35.2000113.7M90 E94M90-D92 WeakPolarHBondContact CB-OD1 3.5Å; M90-D92 PolarHBondContact O-N 3.02Å; D92-E94 VanDerWaalsContact OD1-CB 3.29Å; D92-E94 WeakPolarHBondContact OD1-CB 3.41Å; D92-E94 PolarHBondContact OD1-N 2.88Å
93G83.8Confident91.9Very high46 Ų4637.2 Ų37.247%0.47420%0.198SC..SBendtrans85.7-0-176.600000114.5M90 P91M90-G93 WeakPolarHBondContact O-CA 3.44Å; M90-G93 PolarHBondContact O-N 3.01Å; P91-G93 PolarHBondContact O-N 3.28Å
94E89.3Confident91.3Very high123 Ų12337.6 Ų37.658%0.57520%0.204SC*.PPolyproline II helixtrans-73.1135.4178.2-153.9-174.8-155.700111.1M90 D92M90-E94 HydrophobicContact CB-CB 4.45Å; M90-E94 WeakPolarHBondContact CB-O 3.33Å; M90-E94 WeakPolarHBondContact CG-O 3.36Å; M90-E94 PolarHBondContact N-O 3.36Å; D92-E94 VanDerWaalsContact OD1-CB 3.29Å; D92-E94 WeakPolarHBondContact OD1-CB 3.41Å; D92-E94 PolarHBondContact OD1-N 2.88Å
95E91.9Very high90.7Very high64 Ų6442.4 Ų42.430%0.29923%0.23SC..EExtended strand (participates in β ladder)trans-91.6118.5178.4-70.3-173178.500111.4K9 V87 Y88 R97K9-E95 WeakPolarHBondContact CD-OE1 3.35Å; K9-E95 WeakPolarHBondContact CE-OE1 3.2Å; K9-E95 IonicContact NZ-OE1 3.48Å; K9-E95 PolarHBondContact NZ-OE1 3.08Å; V87-E95 HydrophobicContact CG1-CB 4.2Å; V87-E95 HydrophobicContact CG1-CG 4.19Å; Y88-E95 CarbonylContact O-C 3.55Å; Y88-E95 WeakPolarHBondContact O-CA 3.48Å; E95-R97 IonicContact OE2-CZ 2.74Å; E95-R97 IonicContact OE2-NH2 2.66Å; E95-R97 PolarHBondContact OE2-NH2 3.48Å
96K91.8Very high90.3Very high40 Ų4046.3 Ų46.317%0.17425%0.254CS..EExtended strand (participates in β ladder)trans-97.6126.8166.8-72.9-172.3-179.2174.90110.7Y88 M90 F98Y88-K96 PolarHBondContact N-O 3.36Å; Y88-K96 PolarHBondContact O-N 3.28Å; M90-K96 HydrophobicContact CG-CD 4.23Å; M90-K96 HydrophobicContact CG-CG 4.16Å; M90-K96 HydrophobicContact SD-CD 3.86Å; M90-K96 HydrophobicContact SD-CG 4.39Å; K96-F98 HydrophobicContact CB-CD2 4.42Å; K96-F98 HydrophobicContact CB-CE2 3.85Å; K96-F98 HydrophobicContact CB-CZ 4.47Å; K96-F98 HydrophobicContact CD-CZ 4.47Å
97R95.2Very high90.1Very high76 Ų7647.8 Ų47.829%0.28726%0.263SS..EExtended strand (participates in β ladder)trans-104.6108.5180-61.4-178.8172.2-98.4-15.5110Y10 E12 T85 V87 E95 I111 N112Y10-R97 PolarHBondContact OH-NH2 2.93Å; E12-R97 IonicContact OE1-CZ 3.54Å; E12-R97 IonicContact OE1-NH1 4Å; E12-R97 PolarHBondContact OE1-NH1 3.1Å; T85-R97 HydrophobicContact CG2-CB 4.16Å; V87-R97 HydrophobicContact CG1-CG 4.41Å; V87-R97 HydrophobicContact CG2-CG 4.21Å; E95-R97 IonicContact OE2-CZ 2.74Å; E95-R97 IonicContact OE2-NH2 2.66Å; E95-R97 PolarHBondContact OE2-NH2 3.48Å; R97-I111 CarbonylContact O-C 3.52Å; R97-I111 WeakPolarHBondContact O-CA 3.37Å; R97-N112 PolarHBondContact N-OD1 3.46Å; R97-N112 PolarHBondContact O-N 3.16Å
98F95.5Very high90Very high4 Ų450.3 Ų50.32%0.01828%0.275CS..EExtended strand (participates in β ladder)trans-97.4114.3175.4-70.8-81.5000108.7V52 T85 A86 K96 I111 Y121 A124 L125 I128V52-F98 HydrophobicContact CG2-CB 4.41Å; V52-F98 WeakPolarHBondContact CG2-O 3.03Å; T85-F98 CarbonylContact C-O 3.52Å; T85-F98 VanDerWaalsContact CA-O 3.27Å; T85-F98 WeakPolarHBondContact CA-O 3.15Å; A86-F98 HydrophobicContact CB-CB 4.48Å; A86-F98 PolarHBondContact N-O 3.19Å; A86-F98 PolarHBondContact O-N 2.97Å; K96-F98 HydrophobicContact CB-CD2 4.42Å; K96-F98 HydrophobicContact CB-CE2 3.85Å; K96-F98 HydrophobicContact CB-CZ 4.47Å; K96-F98 HydrophobicContact CD-CZ 4.47Å; F98-I111 HydrophobicContact CD1-CG1 4.36Å; F98-I111 HydrophobicContact CE1-CG1 4.42Å; F98-Y121 HydrophobicContact CB-CE2 4.34Å; F98-Y121 WeakPolarHBondContact CB-OH 3.44Å; F98-Y121 HydrophobicContact CD1-CD2 4.45Å; F98-Y121 AromaticContact CD1-CE2 3.85Å; F98-Y121 HydrophobicContact CD1-CE2 3.85Å; F98-Y121 AromaticContact CD1-CZ 3.92Å; F98-A124 HydrophobicContact CE1-CB 3.94Å; F98-A124 HydrophobicContact CZ-CB 4.44Å; F98-L125 HydrophobicContact CD1-CD2 3.86Å; F98-L125 HydrophobicContact CD1-CG 4.28Å; F98-L125 HydrophobicContact CD2-CD2 4.43Å; F98-L125 HydrophobicContact CE1-CD2 3.78Å; F98-L125 HydrophobicContact CE1-CG 4.08Å; F98-L125 HydrophobicContact CE2-CD2 4.36Å; F98-L125 HydrophobicContact CG-CD2 4.18Å; F98-L125 HydrophobicContact CZ-CD2 4.04Å; F98-I128 HydrophobicContact CE2-CD1 3.8Å; F98-I128 HydrophobicContact CZ-CD1 4.06Å
99S95.4Very high90.1Very high12 Ų1250.7 Ų50.78%0.08428%0.277CS..EExtended strand (participates in β ladder)trans-121.9143.3-177.9-51.70000112V84 T85 R110V84-S99 CarbonylContact O-C 3.39Å; V84-S99 VanDerWaalsContact O-CA 3.26Å; V84-S99 WeakPolarHBondContact O-CA 3.38Å; T85-S99 WeakPolarHBondContact CB-OG 3.42Å; T85-S99 WeakPolarHBondContact CG2-OG 3.41Å; T85-S99 WeakPolarHBondContact OG1-CB 3.16Å; T85-S99 PolarHBondContact OG1-OG 2.81Å; S99-R110 PolarHBondContact N-O 3.35Å; S99-R110 PolarHBondContact O-N 2.88Å
100R94.7Very high90.3Very high15 Ų1552.8 Ų52.86%0.05728%0.283CS..EExtended strand (participates in β ladder)trans-126.7121.7168.9-166177.8178.5-176.6-0.1109.2F51 E55 V84 S107 E108 Y109F51-R100 HydrophobicContact CD1-CB 4.21Å; F51-R100 HydrophobicContact CD1-CG 4.43Å; F51-R100 HydrophobicContact CE1-CB 3.67Å; F51-R100 HydrophobicContact CE1-CG 3.69Å; F51-R100 VanDerWaalsContact CE2-CD 3.48Å; F51-R100 HydrophobicContact CE2-CG 4.11Å; F51-R100 HydrophobicContact CZ-CB 4.03Å; F51-R100 HydrophobicContact CZ-CG 3.48Å; F51-R100 VanDerWaalsContact CZ-CG 3.48Å; F51-R100 WeakPolarHBondContact O-CD 3.16Å; F51-R100 PolarHBondContact O-NH1 2.91Å; E55-R100 PolarHBondContact O-NH1 2.83Å; V84-R100 PolarHBondContact N-O 2.81Å; V84-R100 PolarHBondContact O-N 3.45Å; R100-S107 PolarHBondContact NE-OG 3.25Å; R100-S107 PolarHBondContact NH2-OG 2.8Å; R100-E108 WeakPolarHBondContact CA-O 3.38Å; R100-Y109 HydrophobicContact CG-CD1 4.14Å; R100-Y109 HydrophobicContact CG-CE1 4.07Å; R100-Y109 PolarHBondContact NE-OH 3.4Å; R100-Y109 PolarHBondContact NH2-OH 3.49Å
101V94.3Very high90.6Very high12 Ų1252.6 Ų52.67%0.07328%0.283CS..EExtended strand (participates in β ladder)trans-114.7129.9-174.3-165.40000109.9A82 H103 S107 E108A82-V101 WeakPolarHBondContact O-CA 3.17Å; V101-H103 WeakPolarHBondContact CG1-CE1 3.4Å; V101-S107 CarbonylContact O-C 3.59Å; V101-S107 VanDerWaalsContact O-CA 3.3Å; V101-S107 WeakPolarHBondContact O-CA 3.39Å; V101-E108 PolarHBondContact N-O 2.92Å; V101-E108 PolarHBondContact O-N 3.12Å
102I92.3Very high91.1Very high0 Ų053.6 Ų53.60%028%0.284CS..EExtended strand (participates in β ladder)trans-96.3129.6178.1-55174.3000108.3F51 L65 L68 I69 S81 A82 G104 T106F51-I102 HydrophobicContact CE1-CD1 3.99Å; F51-I102 HydrophobicContact CE1-CG1 3.96Å; F51-I102 HydrophobicContact CE2-CD1 3.98Å; F51-I102 HydrophobicContact CE2-CG1 4.1Å; F51-I102 HydrophobicContact CZ-CD1 3.48Å; F51-I102 VanDerWaalsContact CZ-CD1 3.48Å; F51-I102 HydrophobicContact CZ-CG1 3.3Å; L65-I102 HydrophobicContact CB-CG2 4.27Å; L65-I102 HydrophobicContact CD2-CD1 4.32Å; L65-I102 HydrophobicContact CD2-CG1 4.32Å; L68-I102 HydrophobicContact CB-CD1 3.49Å; L68-I102 VanDerWaalsContact CB-CD1 3.49Å; L68-I102 HydrophobicContact CD1-CD1 3.51Å; L68-I102 HydrophobicContact CG-CD1 4.1Å; I69-I102 HydrophobicContact CD1-CG2 4.49Å; I69-I102 HydrophobicContact CG1-CG2 4.48Å; S81-I102 WeakPolarHBondContact CA-O 3.28Å; S81-I102 WeakPolarHBondContact CB-O 3.18Å; A82-I102 PolarHBondContact N-O 3.16Å; A82-I102 PolarHBondContact O-N 2.94Å; I102-G104 VanDerWaalsContact CG2-O 3.31Å; I102-G104 WeakPolarHBondContact CG2-O 3.14Å; I102-T106 WeakPolarHBondContact CA-O 3.31Å
103H88.7Confident91.4Very high84 Ų8450.3 Ų50.339%0.38928%0.279SS..EExtended strand (participates in β ladder)trans-129.4100171.7-66.585000108.3V101 N105 T106 E108V101-H103 WeakPolarHBondContact CG1-CE1 3.4Å; H103-N105 PolarHBondContact O-N 3.14Å; H103-T106 PolarHBondContact N-O 3.21Å; H103-T106 PolarHBondContact O-N 3.15Å; H103-T106 PolarHBondContact O-OG1 3.08Å; H103-E108 IonicContact CE1-OE2 3.53Å
104G81.2Confident91.8Very high24 Ų2452.7 Ų52.725%0.24728%0.284CS..THydrogen-bonded Turntrans62.7-128.5-171.300000111.4N66 I102N66-G104 VanDerWaalsContact CG-C 3.42Å; N66-G104 WeakPolarHBondContact OD1-CA 3.41Å; N66-G104 PolarHBondContact OD1-O 2.96Å; I102-G104 VanDerWaalsContact CG2-O 3.31Å; I102-G104 WeakPolarHBondContact CG2-O 3.14Å
105N83.8Confident92.1Very high102 Ų10250 Ų5055%0.54528%0.279SS..THydrogen-bonded Turntrans-89.64.9179.2-73.4-31.7000114.2L65 N66 H103L65-N105 WeakPolarHBondContact CD1-O 3.32Å; N66-N105 PolarHBondContact ND2-OD1 3.25Å; H103-N105 PolarHBondContact O-N 3.14Å
106T88.9Confident92.2Very high96 Ų9648.6 Ų48.659%0.58927%0.274SS*.EExtended strand (participates in β ladder)trans-108.9154.817862.20000111.1I102 H103I102-T106 WeakPolarHBondContact CA-O 3.31Å; H103-T106 PolarHBondContact N-O 3.21Å; H103-T106 PolarHBondContact O-N 3.15Å; H103-T106 PolarHBondContact O-OG1 3.08Å
107S89.6Confident92.2Very high36 Ų3654.5 Ų54.525%0.25230%0.296SS..EExtended strand (participates in β ladder)trans-124.8137.2173.168.60000110.6R100 V101R100-S107 PolarHBondContact NE-OG 3.25Å; R100-S107 PolarHBondContact NH2-OG 2.8Å; V101-S107 CarbonylContact O-C 3.59Å; V101-S107 VanDerWaalsContact O-CA 3.3Å; V101-S107 WeakPolarHBondContact O-CA 3.39Å
108E93.4Very high92Very high53 Ų5354.1 Ų54.125%0.24830%0.302CS..EExtended strand (participates in β ladder)trans-111.1135.8177.5-169.3-165154.400109.3R100 V101 H103 R110 S115R100-E108 WeakPolarHBondContact CA-O 3.38Å; V101-E108 PolarHBondContact N-O 2.92Å; V101-E108 PolarHBondContact O-N 3.12Å; H103-E108 IonicContact CE1-OE2 3.53Å; E108-R110 VanDerWaalsContact CD-NE 3.34Å; E108-R110 IonicContact OE1-CZ 2.76Å; E108-R110 IonicContact OE1-NE 2.71Å; E108-R110 PolarHBondContact OE1-NE 3.32Å; E108-R110 IonicContact OE1-NH2 2.86Å; E108-R110 PolarHBondContact OE1-NH2 3.13Å; E108-R110 IonicContact OE2-CZ 2.85Å; E108-R110 IonicContact OE2-NE 3.05Å; E108-R110 PolarHBondContact OE2-NE 2.87Å; E108-R110 IonicContact OE2-NH2 3.9Å; E108-R110 PolarHBondContact OE2-NH2 3.03Å; E108-S115 VanDerWaalsContact CD-OG 3.29Å; E108-S115 VanDerWaalsContact CG-OG 3.29Å; E108-S115 WeakPolarHBondContact CG-OG 3.36Å; E108-S115 WeakPolarHBondContact OE1-CB 3.34Å; E108-S115 PolarHBondContact OE1-OG 3.36Å
109Y94.9Very high91.8Very high20 Ų2058.8 Ų58.88%0.07833%0.327CS..EExtended strand (participates in β ladder)trans-99.8136.5176.5-66.5-92.2000109.7R100 S115 V116 V118 Y121R100-Y109 HydrophobicContact CG-CD1 4.14Å; R100-Y109 HydrophobicContact CG-CE1 4.07Å; R100-Y109 PolarHBondContact NE-OH 3.4Å; R100-Y109 PolarHBondContact NH2-OH 3.49Å; Y109-S115 WeakPolarHBondContact O-CA 3.4Å; Y109-V116 PolarHBondContact O-N 3.31Å; Y109-V118 HydrophobicContact CD2-CG2 3.75Å; Y109-V118 HydrophobicContact CE2-CB 4.42Å; Y109-V118 HydrophobicContact CE2-CG1 4.31Å; Y109-V118 HydrophobicContact CE2-CG2 3.53Å; Y109-Y121 AromaticContact CD1-CD1 3.62Å; Y109-Y121 HydrophobicContact CD1-CD1 3.62Å; Y109-Y121 HydrophobicContact CD1-CD2 4.07Å; Y109-Y121 AromaticContact CD1-CE1 3.69Å; Y109-Y121 HydrophobicContact CD1-CE1 3.69Å; Y109-Y121 HydrophobicContact CD1-CE2 4.14Å; Y109-Y121 AromaticContact CD1-CG 3.79Å; Y109-Y121 HydrophobicContact CD1-CG 3.79Å; Y109-Y121 AromaticContact CD1-CZ 3.94Å; Y109-Y121 HydrophobicContact CE1-CD1 4.14Å; Y109-Y121 HydrophobicContact CE1-CE1 4.16Å; Y109-Y121 HydrophobicContact CG-CD1 4.44Å; Y109-Y121 HydrophobicContact CG-CD2 4.34Å; Y109-Y121 HydrophobicContact CG-CG 4.19Å
110R96.1Very high91.6Very high73 Ų7363.3 Ų63.328%0.27535%0.346SS..EExtended strand (participates in β ladder)trans-134.1140.3178.9-55.4-177.2177.7168.94.8112.1S99 E108 V114 Y121S99-R110 PolarHBondContact N-O 3.35Å; S99-R110 PolarHBondContact O-N 2.88Å; E108-R110 VanDerWaalsContact CD-NE 3.34Å; E108-R110 IonicContact OE1-CZ 2.76Å; E108-R110 IonicContact OE1-NE 2.71Å; E108-R110 PolarHBondContact OE1-NE 3.32Å; E108-R110 IonicContact OE1-NH2 2.86Å; E108-R110 PolarHBondContact OE1-NH2 3.13Å; E108-R110 IonicContact OE2-CZ 2.85Å; E108-R110 IonicContact OE2-NE 3.05Å; E108-R110 PolarHBondContact OE2-NE 2.87Å; E108-R110 IonicContact OE2-NH2 3.9Å; E108-R110 PolarHBondContact OE2-NH2 3.03Å; R110-V114 CarbonylContact C-O 3.33Å; R110-V114 WeakPolarHBondContact CA-O 3.38Å; R110-V114 WeakPolarHBondContact CB-O 3.41Å; R110-Y121 WeakPolarHBondContact O-CE2 3.21Å
111I94.5Very high91.6Very high34 Ų3462.6 Ų62.617%0.17434%0.344CS..EExtended strand (participates in β ladder)trans-115.9125170.4-59.7171.1000107.3R97 F98 G113 V114 V116 Y121 A124R97-I111 CarbonylContact O-C 3.52Å; R97-I111 WeakPolarHBondContact O-CA 3.37Å; F98-I111 HydrophobicContact CD1-CG1 4.36Å; F98-I111 HydrophobicContact CE1-CG1 4.42Å; I111-G113 PolarHBondContact O-N 3.41Å; I111-G113 VanDerWaalsContact O-N 3.09Å; I111-V114 PolarHBondContact N-O 3.1Å; I111-V114 PolarHBondContact O-N 2.89Å; I111-V116 HydrophobicContact CD1-CG1 4.3Å; I111-V116 HydrophobicContact CD1-CG2 3.94Å; I111-V116 HydrophobicContact CG1-CG1 4.48Å; I111-V116 HydrophobicContact CG1-CG2 3.87Å; I111-Y121 HydrophobicContact CD1-CD2 4.29Å; I111-Y121 HydrophobicContact CG1-CD2 3.78Å; I111-Y121 HydrophobicContact CG1-CE2 4.18Å; I111-A124 HydrophobicContact CD1-CB 3.52Å
112N93.1Very high91.4Very high91 Ų9162.9 Ų62.949%0.48735%0.348SS..THydrogen-bonded Turntrans51.335.3-178.8-63.7-17.5000113.1R97 V114R97-N112 PolarHBondContact N-OD1 3.46Å; R97-N112 PolarHBondContact O-N 3.16Å; N112-V114 VanDerWaalsContact C-N 3.32Å; N112-V114 PolarHBondContact O-N 2.92Å
113G90.3Very high91.3Very high52 Ų5265.2 Ų65.254%0.53637%0.367SS..THydrogen-bonded Turntrans84.5-8.2-178.700000115.7I111I111-G113 PolarHBondContact O-N 3.41Å; I111-G113 VanDerWaalsContact O-N 3.09Å
114V94Very high91.3Very high95 Ų9561.8 Ų61.858%0.57635%0.353SS*.EExtended strand (participates in β ladder)trans-92.5131.8179.8-177.50000110.8R110 I111 N112R110-V114 CarbonylContact C-O 3.33Å; R110-V114 WeakPolarHBondContact CA-O 3.38Å; R110-V114 WeakPolarHBondContact CB-O 3.41Å; I111-V114 PolarHBondContact N-O 3.1Å; I111-V114 PolarHBondContact O-N 2.89Å; N112-V114 VanDerWaalsContact C-N 3.32Å; N112-V114 PolarHBondContact O-N 2.92Å
115S93.8Very high91.7Very high68 Ų6860.7 Ų60.748%0.47634%0.342SS..EExtended strand (participates in β ladder)trans-66.7129.4175.7-1550000111.6E108 Y109E108-S115 VanDerWaalsContact CD-OG 3.29Å; E108-S115 VanDerWaalsContact CG-OG 3.29Å; E108-S115 WeakPolarHBondContact CG-OG 3.36Å; E108-S115 WeakPolarHBondContact OE1-CB 3.34Å; E108-S115 PolarHBondContact OE1-OG 3.36Å; Y109-S115 WeakPolarHBondContact O-CA 3.4Å
116V94.5Very high91.9Very high33 Ų3359.6 Ų59.620%0.233%0.333CS..EExtended strand (participates in β ladder)trans-133.7161.2-178.3-64.70000111.3Y109 I111 E120 Y121Y109-V116 PolarHBondContact O-N 3.31Å; I111-V116 HydrophobicContact CD1-CG1 4.3Å; I111-V116 HydrophobicContact CD1-CG2 3.94Å; I111-V116 HydrophobicContact CG1-CG1 4.48Å; I111-V116 HydrophobicContact CG1-CG2 3.87Å; V116-E120 HydrophobicContact CB-CB 4.22Å; V116-E120 WeakPolarHBondContact CB-OE2 3.3Å; V116-Y121 HydrophobicContact CG2-CD2 3.92Å
117R93Very high91.7Very high165 Ų16561.5 Ų61.562%0.62334%0.336SS*.  trans-72.7157.1172.5-69.1-177.158.1-173.3-11.8110.9D119 E120 Y121R117-D119 IonicContact CZ-OD2 2.79Å; R117-D119 IonicContact NE-OD2 2.71Å; R117-D119 IonicContact NH2-OD2 3.33Å; R117-D119 PolarHBondContact NH2-OD2 3.1Å; R117-D119 PolarHBondContact O-N 3Å; R117-E120 HydrophobicContact CB-CG 4.41Å; R117-E120 PolarHBondContact N-OE2 2.86Å; R117-E120 VanDerWaalsContact N-OE2 3.17Å; R117-E120 PolarHBondContact O-N 3.14Å; R117-E120 VanDerWaalsContact O-N 3.17Å; R117-Y121 PolarHBondContact O-N 3.01Å
118V90.2Very high91.4Very high67 Ų6760.2 Ų60.241%0.40633%0.326SS..Hα-helixtrans-56.8-38.2177-170.90000111.4Y109 Y121 A122 M132Y109-V118 HydrophobicContact CD2-CG2 3.75Å; Y109-V118 HydrophobicContact CE2-CB 4.42Å; Y109-V118 HydrophobicContact CE2-CG1 4.31Å; Y109-V118 HydrophobicContact CE2-CG2 3.53Å; V118-Y121 PolarHBondContact O-N 3Å; V118-A122 WeakPolarHBondContact O-CB 3.31Å; V118-A122 PolarHBondContact O-N 2.59Å; V118-M132 HydrophobicContact CG1-CE 4.06Å
119D90.6Very high90.8Very high102 Ų10262.4 Ų62.455%0.54534%0.336SS..Hα-helixtrans-65.3-41.3180-50.8-44.5000111.9R117 A123R117-D119 IonicContact CZ-OD2 2.79Å; R117-D119 IonicContact NE-OD2 2.71Å; R117-D119 IonicContact NH2-OD2 3.33Å; R117-D119 PolarHBondContact NH2-OD2 3.1Å; R117-D119 PolarHBondContact O-N 3Å; D119-A123 WeakPolarHBondContact O-CB 3.34Å; D119-A123 PolarHBondContact O-N 3.2Å
120E92.6Very high90.3Very high107 Ų10761.5 Ų61.550%0.533%0.332SS..Hα-helixtrans-69.6-38.7176.2-67.1165-177.500111.2V116 R117 A123 A124V116-E120 HydrophobicContact CB-CB 4.22Å; V116-E120 WeakPolarHBondContact CB-OE2 3.3Å; R117-E120 HydrophobicContact CB-CG 4.41Å; R117-E120 PolarHBondContact N-OE2 2.86Å; R117-E120 VanDerWaalsContact N-OE2 3.17Å; R117-E120 PolarHBondContact O-N 3.14Å; R117-E120 VanDerWaalsContact O-N 3.17Å; E120-A123 PolarHBondContact O-N 3.25Å; E120-A124 WeakPolarHBondContact O-CB 3.48Å; E120-A124 PolarHBondContact O-N 3.45Å
121Y93.7Very high89.6Confident0 Ų059 Ų590%032%0.323CS..Hα-helixtrans-63.1-44.6174.3-164.5-94.1000112V52 F98 Y109 R110 I111 V116 R117 V118 A124 L125 M132V52-Y121 WeakPolarHBondContact O-CE1 3.35Å; V52-Y121 PolarHBondContact O-OH 2.79Å; F98-Y121 HydrophobicContact CB-CE2 4.34Å; F98-Y121 WeakPolarHBondContact CB-OH 3.44Å; F98-Y121 HydrophobicContact CD1-CD2 4.45Å; F98-Y121 AromaticContact CD1-CE2 3.85Å; F98-Y121 HydrophobicContact CD1-CE2 3.85Å; F98-Y121 AromaticContact CD1-CZ 3.92Å; Y109-Y121 AromaticContact CD1-CD1 3.62Å; Y109-Y121 HydrophobicContact CD1-CD1 3.62Å; Y109-Y121 HydrophobicContact CD1-CD2 4.07Å; Y109-Y121 AromaticContact CD1-CE1 3.69Å; Y109-Y121 HydrophobicContact CD1-CE1 3.69Å; Y109-Y121 HydrophobicContact CD1-CE2 4.14Å; Y109-Y121 AromaticContact CD1-CG 3.79Å; Y109-Y121 HydrophobicContact CD1-CG 3.79Å; Y109-Y121 AromaticContact CD1-CZ 3.94Å; Y109-Y121 HydrophobicContact CE1-CD1 4.14Å; Y109-Y121 HydrophobicContact CE1-CE1 4.16Å; Y109-Y121 HydrophobicContact CG-CD1 4.44Å; Y109-Y121 HydrophobicContact CG-CD2 4.34Å; Y109-Y121 HydrophobicContact CG-CG 4.19Å; R110-Y121 WeakPolarHBondContact O-CE2 3.21Å; I111-Y121 HydrophobicContact CD1-CD2 4.29Å; I111-Y121 HydrophobicContact CG1-CD2 3.78Å; I111-Y121 HydrophobicContact CG1-CE2 4.18Å; V116-Y121 HydrophobicContact CG2-CD2 3.92Å; R117-Y121 PolarHBondContact O-N 3.01Å; V118-Y121 PolarHBondContact O-N 3Å; Y121-A124 PolarHBondContact O-N 3.37Å; Y121-L125 HydrophobicContact CD1-CD1 3.81Å; Y121-L125 HydrophobicContact CD1-CG 4.34Å; Y121-L125 HydrophobicContact CE1-CD1 3.61Å; Y121-L125 HydrophobicContact CE1-CG 4.24Å; Y121-L125 PolarHBondContact O-N 3.09Å; Y121-M132 HydrophobicContact CD1-SD 4.23Å
122A89.5Confident88.8Confident19 Ų1959.2 Ų59.216%0.15732%0.324CS..Hα-helixtrans-60.5-48.3174.900000110.9V118 A124 L125 E126 M132V118-A122 WeakPolarHBondContact O-CB 3.31Å; V118-A122 PolarHBondContact O-N 2.59Å; A122-A124 VanDerWaalsContact C-N 3.29Å; A122-A124 PolarHBondContact O-N 3.11Å; A122-L125 PolarHBondContact O-N 3.17Å; A122-L125 VanDerWaalsContact O-N 3.13Å; A122-E126 WeakPolarHBondContact O-CG 3.25Å; A122-E126 PolarHBondContact O-N 3.22Å; A122-M132 WeakPolarHBondContact CA-SD 3.4Å; A122-M132 HydrophobicContact CB-CG 4.42Å; A122-M132 HydrophobicContact CB-SD 3.46Å; A122-M132 WeakPolarHBondContact CB-SD 3.39Å
123A90.2Very high87.8Confident48 Ų4863.3 Ų63.340%0.39734%0.338SS..Hα-helixtrans-59.5-39.417800000112.5D119 E120 E126 Q127D119-A123 WeakPolarHBondContact O-CB 3.34Å; D119-A123 PolarHBondContact O-N 3.2Å; E120-A123 PolarHBondContact O-N 3.25Å; A123-E126 PolarHBondContact O-N 2.91Å; A123-Q127 WeakPolarHBondContact O-CG 3.26Å; A123-Q127 PolarHBondContact O-N 3.44Å
124A90.4Very high86.7Confident13 Ų1361.5 Ų61.511%0.10732%0.316CS..Hα-helixtrans-68.1-34.2176.500000113.2F98 I111 E120 Y121 A122F98-A124 HydrophobicContact CE1-CB 3.94Å; F98-A124 HydrophobicContact CZ-CB 4.44Å; I111-A124 HydrophobicContact CD1-CB 3.52Å; E120-A124 WeakPolarHBondContact O-CB 3.48Å; E120-A124 PolarHBondContact O-N 3.45Å; Y121-A124 PolarHBondContact O-N 3.37Å; A122-A124 VanDerWaalsContact C-N 3.29Å; A122-A124 PolarHBondContact O-N 3.11Å
125L89.4Confident85.5Confident1 Ų161 Ų611%0.00531%0.306CS..Hα-helixtrans-71-39.1171.5-74176.3000111.8L53 F98 Y121 A122 Q127 I128 H129 I130 M132L53-L125 HydrophobicContact CD2-CD2 4.05Å; F98-L125 HydrophobicContact CD1-CD2 3.86Å; F98-L125 HydrophobicContact CD1-CG 4.28Å; F98-L125 HydrophobicContact CD2-CD2 4.43Å; F98-L125 HydrophobicContact CE1-CD2 3.78Å; F98-L125 HydrophobicContact CE1-CG 4.08Å; F98-L125 HydrophobicContact CE2-CD2 4.36Å; F98-L125 HydrophobicContact CG-CD2 4.18Å; F98-L125 HydrophobicContact CZ-CD2 4.04Å; Y121-L125 HydrophobicContact CD1-CD1 3.81Å; Y121-L125 HydrophobicContact CD1-CG 4.34Å; Y121-L125 HydrophobicContact CE1-CD1 3.61Å; Y121-L125 HydrophobicContact CE1-CG 4.24Å; Y121-L125 PolarHBondContact O-N 3.09Å; A122-L125 PolarHBondContact O-N 3.17Å; A122-L125 VanDerWaalsContact O-N 3.13Å; L125-Q127 VanDerWaalsContact C-N 3.26Å; L125-Q127 PolarHBondContact O-N 2.92Å; L125-I128 HydrophobicContact CD2-CD1 4.15Å; L125-I128 CarbonylContact O-C 3.48Å; L125-I128 WeakPolarHBondContact O-CG1 3.14Å; L125-I128 PolarHBondContact O-N 3.47Å; L125-H129 PolarHBondContact O-N 2.81Å; L125-I130 CarbonylContact C-O 3.45Å; L125-I130 HydrophobicContact CB-CB 4.22Å; L125-I130 HydrophobicContact CB-CG2 4.44Å; L125-I130 WeakPolarHBondContact CB-O 3.4Å; L125-I130 HydrophobicContact CD2-CB 4.46Å; L125-I130 HydrophobicContact CD2-CG2 4.45Å; L125-I130 PolarHBondContact O-N 3.4Å; L125-M132 HydrophobicContact CD1-CG 3.69Å; L125-M132 HydrophobicContact CD1-SD 4.09Å
126E86.6Confident84.6Confident79 Ų7957.9 Ų57.937%0.36928%0.284SS..Hα-helixtrans-63.8-32.7176.9-72-167.3-165.300112.1A122 A123 I128 H129 I130 F131 K164A122-E126 WeakPolarHBondContact O-CG 3.25Å; A122-E126 PolarHBondContact O-N 3.22Å; A123-E126 PolarHBondContact O-N 2.91Å; E126-I128 PolarHBondContact O-N 3.38Å; E126-H129 WeakPolarHBondContact O-CA 3.36Å; E126-H129 PolarHBondContact O-N 3.4Å; E126-I130 PolarHBondContact N-O 3.46Å; E126-F131 HydrophobicContact CB-CD1 4.37Å; E126-F131 HydrophobicContact CB-CE1 4.05Å; E126-F131 HydrophobicContact CG-CD1 3.52Å; E126-F131 HydrophobicContact CG-CE1 3.66Å; E126-F131 HydrophobicContact CG-CG 4.41Å; E126-K164 IonicContact OE2-NZ 3.64Å; E126-K164 PolarHBondContact OE2-NZ 3.16Å
127Q85.4Confident83.9Confident136 Ų13656.6 Ų56.664%0.63628%0.276SS*.THydrogen-bonded Turntrans-61.3-24.9173-76.4175.75.500113.6A123 L125A123-Q127 WeakPolarHBondContact O-CG 3.26Å; A123-Q127 PolarHBondContact O-N 3.44Å; L125-Q127 VanDerWaalsContact C-N 3.26Å; L125-Q127 PolarHBondContact O-N 2.92Å
128I83.1Confident83.5Confident9 Ų949.3 Ų49.35%0.04625%0.249CC..THydrogen-bonded Turntrans-10319.9173.463.7169.3000111.8Y88 M90 F98 L125 E126 I130 P1155Y88-I128 HydrophobicContact CD1-CD1 4.23Å; Y88-I128 HydrophobicContact CD1-CG2 4.34Å; Y88-I128 HydrophobicContact CD2-CD1 4.3Å; Y88-I128 HydrophobicContact CE1-CB 4.22Å; Y88-I128 HydrophobicContact CE1-CD1 4.32Å; Y88-I128 HydrophobicContact CE1-CG2 3.9Å; Y88-I128 HydrophobicContact CE2-CD1 4.41Å; Y88-I128 HydrophobicContact CG-CD1 4.19Å; M90-I128 HydrophobicContact CE-CG2 4.28Å; M90-I128 HydrophobicContact SD-CG2 3.72Å; F98-I128 HydrophobicContact CE2-CD1 3.8Å; F98-I128 HydrophobicContact CZ-CD1 4.06Å; L125-I128 HydrophobicContact CD2-CD1 4.15Å; L125-I128 CarbonylContact O-C 3.48Å; L125-I128 WeakPolarHBondContact O-CG1 3.14Å; L125-I128 PolarHBondContact O-N 3.47Å; E126-I128 PolarHBondContact O-N 3.38Å; I128-I130 VanDerWaalsContact C-N 3.3Å; I128-I130 HydrophobicContact CD1-CD1 3.73Å; I128-I130 HydrophobicContact CD1-CG1 4.33Å; I128-I130 HydrophobicContact CG1-CB 4.41Å; I128-I130 HydrophobicContact CG1-CD1 4.12Å; I128-I130 HydrophobicContact CG1-CG1 4.15Å; I128-I130 PolarHBondContact O-N 2.87Å; I128-P1155 WeakPolarHBondContact O-CD 3.28Å
129H81.6Confident83.2Confident99 Ų9946.2 Ų46.246%0.45823%0.231SC..THydrogen-bonded Turntrans61.830.9179.2-57.2-80.8000115L125 E126 P1153 S1154L125-H129 PolarHBondContact O-N 2.81Å; E126-H129 WeakPolarHBondContact O-CA 3.36Å; E126-H129 PolarHBondContact O-N 3.4Å; H129-P1153 WeakPolarHBondContact CB-O 3.33Å; H129-S1154 PolarHBondContact O-OG 2.79Å
130I83.6Confident82.9Confident1 Ų143.6 Ų43.61%0.00521%0.214CC..  trans-109.8110.9171.6-60.7178.8000109.1L53 L125 E126 I128 F137 P1155 F1156L53-I130 HydrophobicContact CD2-CD1 4.33Å; L53-I130 HydrophobicContact CD2-CG2 4.21Å; L125-I130 CarbonylContact C-O 3.45Å; L125-I130 HydrophobicContact CB-CB 4.22Å; L125-I130 HydrophobicContact CB-CG2 4.44Å; L125-I130 WeakPolarHBondContact CB-O 3.4Å; L125-I130 HydrophobicContact CD2-CB 4.46Å; L125-I130 HydrophobicContact CD2-CG2 4.45Å; L125-I130 PolarHBondContact O-N 3.4Å; E126-I130 PolarHBondContact N-O 3.46Å; I128-I130 VanDerWaalsContact C-N 3.3Å; I128-I130 HydrophobicContact CD1-CD1 3.73Å; I128-I130 HydrophobicContact CD1-CG1 4.33Å; I128-I130 HydrophobicContact CG1-CB 4.41Å; I128-I130 HydrophobicContact CG1-CD1 4.12Å; I128-I130 HydrophobicContact CG1-CG1 4.15Å; I128-I130 PolarHBondContact O-N 2.87Å; I130-F137 HydrophobicContact CG2-CE1 3.82Å; I130-F137 HydrophobicContact CG2-CE2 4.46Å; I130-F137 HydrophobicContact CG2-CZ 3.63Å; I130-P1155 HydrophobicContact CD1-CG 3.89Å; I130-P1155 HydrophobicContact CG1-CG 3.95Å; I130-F1156 HydrophobicContact CD1-CD1 4.42Å; I130-F1156 HydrophobicContact CD1-CE1 3.47Å; I130-F1156 VanDerWaalsContact CD1-CE1 3.47Å; I130-F1156 HydrophobicContact CD1-CZ 3.79Å
131F80.8Confident82.2Confident20 Ų2043.6 Ų43.69%0.08821%0.214CC..  trans-97.7112.8-179.3-63.3-83.4000110.1E126 K133 V134 N1152E126-F131 HydrophobicContact CB-CD1 4.37Å; E126-F131 HydrophobicContact CB-CE1 4.05Å; E126-F131 HydrophobicContact CG-CD1 3.52Å; E126-F131 HydrophobicContact CG-CE1 3.66Å; E126-F131 HydrophobicContact CG-CG 4.41Å; F131-K133 PolarHBondContact O-N 2.81Å; F131-K133 VanDerWaalsContact O-N 3.07Å; F131-V134 HydrophobicContact CB-CB 3.91Å; F131-V134 HydrophobicContact CB-CG2 4.16Å; F131-V134 PolarHBondContact O-N 3.39Å; F131-V134 VanDerWaalsContact O-N 3.11Å; F131-V134 VanDerWaalsContact O-O 3.06Å; F131-N1152 WeakPolarHBondContact CD2-ND2 3.5Å; F131-N1152 WeakPolarHBondContact CE2-ND2 3.12Å; F131-N1152 VanDerWaalsContact CE2-OD1 3.29Å; F131-N1152 WeakPolarHBondContact CE2-OD1 3.4Å
132M79.1Confident81.3Confident39 Ų3946.3 Ų46.319%0.19224%0.243CC..THydrogen-bonded Turntrans-56.3-29.3-179.3-70.7177.966.800113.7L53 V118 Y121 A122 L125L53-M132 WeakPolarHBondContact O-CG 3.35Å; V118-M132 HydrophobicContact CG1-CE 4.06Å; Y121-M132 HydrophobicContact CD1-SD 4.23Å; A122-M132 WeakPolarHBondContact CA-SD 3.4Å; A122-M132 HydrophobicContact CB-CG 4.42Å; A122-M132 HydrophobicContact CB-SD 3.46Å; A122-M132 WeakPolarHBondContact CB-SD 3.39Å; L125-M132 HydrophobicContact CD1-CG 3.69Å; L125-M132 HydrophobicContact CD1-SD 4.09Å
133K71.8Confident80.7Confident177 Ų17746.7 Ų46.777%0.7725%0.245SC*.THydrogen-bonded Turntrans-85.2-30.5-179.9-67.8-178.2-178.4173.20113.3F131F131-K133 PolarHBondContact O-N 2.81Å; F131-K133 VanDerWaalsContact O-N 3.07Å
134V67.6Low80.3Confident13 Ų1344.7 Ų44.78%0.07923%0.229CC..  trans-103.9109.4-171.6-175.90000109F131 N136 E161 I162F131-V134 HydrophobicContact CB-CB 3.91Å; F131-V134 HydrophobicContact CB-CG2 4.16Å; F131-V134 PolarHBondContact O-N 3.39Å; F131-V134 VanDerWaalsContact O-N 3.11Å; F131-V134 VanDerWaalsContact O-O 3.06Å; V134-N136 PolarHBondContact O-N 2.77Å; V134-E161 HydrophobicContact CG2-CB 4.36Å; V134-E161 WeakPolarHBondContact CG2-O 3.36Å; V134-I162 HydrophobicContact CG1-CB 4.29Å; V134-I162 HydrophobicContact CG1-CG1 3.46Å; V134-I162 VanDerWaalsContact CG1-CG1 3.46Å
135K67.8Low79.7Confident85 Ų8547.8 Ų47.837%0.3724%0.241SC..  trans-96.864.1-172.5-53.7178.3-170.7-158.20111.6E55 H59E55-K135 WeakPolarHBondContact OE1-CD 3.46Å; E55-K135 WeakPolarHBondContact OE1-CE 3.47Å; E55-K135 IonicContact OE1-NZ 3.15Å; E55-K135 PolarHBondContact OE1-NZ 2.79Å; E55-K135 IonicContact OE2-NZ 2.78Å; E55-K135 PolarHBondContact OE2-NZ 2.74Å; H59-K135 PolarHBondContact CE1-NZ 2.95Å; H59-K135 VanDerWaalsContact CE1-NZ 3.29Å; H59-K135 PolarHBondContact ND1-NZ 2.88Å
136N74.4Confident79.2Confident3 Ų350.6 Ų50.62%0.01626%0.26CS..SBendtrans-89.2-1817861-25.1000113.1V134 N1152 F1157V134-N136 PolarHBondContact O-N 2.77Å; N136-N1152 PolarHBondContact ND2-O 2.68Å; N136-F1157 WeakPolarHBondContact O-CE2 3.43Å
137F80Confident79.1Confident6 Ų647.7 Ų47.73%0.02625%0.247CC..SBendtrans-109.4-1.9-171.565.3-91.1000116.1L53 I130 F1156 F1157 V1158L53-F137 HydrophobicContact CD1-CE2 3.44Å; L53-F137 VanDerWaalsContact CD1-CE2 3.44Å; L53-F137 HydrophobicContact CD1-CZ 3.87Å; I130-F137 HydrophobicContact CG2-CE1 3.82Å; I130-F137 HydrophobicContact CG2-CE2 4.46Å; I130-F137 HydrophobicContact CG2-CZ 3.63Å; F137-F1156 HydrophobicContact CD2-CE2 4.22Å; F137-F1156 HydrophobicContact CE2-CE2 4.3Å; F137-F1157 VanDerWaalsContact CA-CD2 3.5Å; F137-F1157 HydrophobicContact CB-CD2 3.84Å; F137-F1157 HydrophobicContact CB-CE2 4.3Å; F137-V1158 PolarHBondContact O-N 3.39Å
138L84.3Confident78.8Confident12 Ų1241.2 Ų41.26%0.06322%0.217CC..EExtended strand (participates in β ladder)trans-119.4119.2178.7-79.1160.4000110.1M46 I49 L53 V1158M46-L138 HydrophobicContact CE-CB 4.42Å; M46-L138 HydrophobicContact CE-CD2 4.1Å; I49-L138 HydrophobicContact CG2-CD2 3.97Å; L53-L138 HydrophobicContact CD1-CD1 4.25Å; L138-V1158 HydrophobicContact CD2-CB 3.93Å; L138-V1158 HydrophobicContact CD2-CG1 4.49Å; L138-V1158 HydrophobicContact CD2-CG2 4.21Å
139V85.7Confident78.8Confident2 Ų244.4 Ų44.41%0.01223%0.232CC..EExtended strand (participates in β ladder)trans-121106.3179.7-170.70000110.5M46 V144 L1145 F1157 V1158 L1159 D1160M46-V139 WeakPolarHBondContact CE-O 3.44Å; V139-V144 HydrophobicContact CG1-CB 4.24Å; V139-V144 HydrophobicContact CG1-CG2 3.38Å; V139-L1145 HydrophobicContact CG1-CD1 4.44Å; V139-L1145 HydrophobicContact CG2-CD1 3.53Å; V139-L1145 HydrophobicContact CG2-CD2 4.46Å; V139-F1157 HydrophobicContact CG2-CZ 4.4Å; V139-V1158 PolarHBondContact N-O 3Å; V139-L1159 HydrophobicContact CB-CD2 3.77Å; V139-L1159 HydrophobicContact CG2-CD2 3.54Å; V139-D1160 WeakPolarHBondContact O-CB 3.39Å; V139-D1160 PolarHBondContact O-N 3.48Å
140F83.1Confident79Confident47 Ų4742.9 Ų42.921%0.20622%0.224CC..  trans-74157.3-178.3-65.5-84.8000111.8M46 S50 G142 A143M46-F140 HydrophobicContact CE-CB 4.31Å; M46-F140 HydrophobicContact CE-CD1 3.72Å; M46-F140 HydrophobicContact CE-CD2 4.37Å; M46-F140 HydrophobicContact CE-CE1 4.07Å; M46-F140 HydrophobicContact CE-CG 3.88Å; M46-F140 HydrophobicContact CG-CD1 4.41Å; M46-F140 HydrophobicContact CG-CE1 4.37Å; M46-F140 HydrophobicContact SD-CB 4.33Å; M46-F140 HydrophobicContact SD-CD1 3.42Å; M46-F140 WeakPolarHBondContact SD-CD1 3.27Å; M46-F140 HydrophobicContact SD-CE1 3.92Å; M46-F140 HydrophobicContact SD-CG 4.04Å; S50-F140 WeakPolarHBondContact OG-CZ 3.46Å; F140-G142 PolarHBondContact O-N 2.92Å; F140-A143 HydrophobicContact CB-CB 4.06Å; F140-A143 VanDerWaalsContact O-CB 3.23Å; F140-A143 WeakPolarHBondContact O-CB 3.42Å; F140-A143 PolarHBondContact O-N 3.41Å
141Q78.1Confident79.1Confident106 Ų10646.7 Ų46.750%0.49525%0.245SC..THydrogen-bonded Turntrans-47.6124.7171-170.7-175.416.400111.3A143 E1161Q141-A143 PolarHBondContact O-N 3.25Å; Q141-E1161 VanDerWaalsContact CD-OE2 3.28Å; Q141-E1161 HydrophobicContact CG-CB 4.32Å; Q141-E1161 PolarHBondContact NE2-OE2 3.08Å
142G75.2Confident79.4Confident58 Ų5846.4 Ų46.460%0.59825%0.246SC*.THydrogen-bonded Turntrans73.4-5.9-178.500000115.8F140F140-G142 PolarHBondContact O-N 2.92Å
143A77.1Confident79.7Confident26 Ų2653.5 Ų53.522%0.21527%0.271CS..Hα-helixtrans-78.1-21.9178.800000112.7F140 Q141 E145 S146 I147F140-A143 HydrophobicContact CB-CB 4.06Å; F140-A143 VanDerWaalsContact O-CB 3.23Å; F140-A143 WeakPolarHBondContact O-CB 3.42Å; F140-A143 PolarHBondContact O-N 3.41Å; Q141-A143 PolarHBondContact O-N 3.25Å; A143-E145 PolarHBondContact O-N 3.34Å; A143-S146 WeakPolarHBondContact CA-OG 3.39Å; A143-S146 PolarHBondContact O-N 2.83Å; A143-S146 VanDerWaalsContact O-N 3.16Å; A143-S146 PolarHBondContact O-OG 3.33Å; A143-I147 WeakPolarHBondContact O-CG1 3.43Å; A143-I147 PolarHBondContact O-N 3.38Å; A143-I147 VanDerWaalsContact O-N 3.15Å
144V81.3Confident80.4Confident7 Ų749.2 Ų49.24%0.04225%0.254CS..Hα-helixtrans-55.8-54.3-178.9-171.30000110.8V139 S146 I147 T1138 A1141 L1142 I1162V139-V144 HydrophobicContact CG1-CB 4.24Å; V139-V144 HydrophobicContact CG1-CG2 3.38Å; V144-S146 VanDerWaalsContact C-N 3.26Å; V144-S146 PolarHBondContact O-N 3.43Å; V144-I147 WeakPolarHBondContact O-CB 3.24Å; V144-I147 PolarHBondContact O-N 3.13Å; V144-I147 VanDerWaalsContact O-N 3.15Å; V144-T1138 HydrophobicContact CG1-CG2 3.89Å; V144-A1141 HydrophobicContact CG1-CB 3.75Å; V144-A1141 WeakPolarHBondContact O-CB 3.46Å; V144-L1142 HydrophobicContact CG1-CG 4.33Å; V144-I1162 HydrophobicContact CG2-CB 4.11Å; V144-I1162 HydrophobicContact CG2-CG2 3.6Å
145E77.6Confident81.4Confident78 Ų7849.3 Ų49.336%0.36425%0.253SS..Hα-helixtrans-61.9-37.2179.7-64.7-175.5171.300111.5A143 I147 A148 M149 A1165A143-E145 PolarHBondContact O-N 3.34Å; E145-I147 PolarHBondContact O-N 3.47Å; E145-A148 PolarHBondContact O-N 3.31Å; E145-M149 WeakPolarHBondContact O-CB 3.36Å; E145-M149 VanDerWaalsContact O-CG 3.23Å; E145-M149 WeakPolarHBondContact O-CG 3.18Å; E145-M149 PolarHBondContact O-N 3.27Å; E145-A1165 WeakPolarHBondContact OE1-CB 3.3Å
146S80.1Confident82.5Confident59 Ų5945.4 Ų45.441%0.41324%0.236SC..Hα-helixtrans-63.2-30.2179.477.10000112.8A143 V144 M149 K150A143-S146 WeakPolarHBondContact CA-OG 3.39Å; A143-S146 PolarHBondContact O-N 2.83Å; A143-S146 VanDerWaalsContact O-N 3.16Å; A143-S146 PolarHBondContact O-OG 3.33Å; V144-S146 VanDerWaalsContact C-N 3.26Å; V144-S146 PolarHBondContact O-N 3.43Å; S146-M149 CarbonylContact O-C 3.55Å; S146-M149 PolarHBondContact O-N 3.32Å; S146-K150 WeakPolarHBondContact O-CG 3.17Å; S146-K150 PolarHBondContact O-N 3.36Å
147I82.9Confident83.1Confident18 Ų1850.1 Ų50.19%0.09226%0.258CS..Hα-helixtrans-66.2-41.4177.2-69161000111.2A143 V144 E145 M158 A1141 L1144 L1145A143-I147 WeakPolarHBondContact O-CG1 3.43Å; A143-I147 PolarHBondContact O-N 3.38Å; A143-I147 VanDerWaalsContact O-N 3.15Å; V144-I147 WeakPolarHBondContact O-CB 3.24Å; V144-I147 PolarHBondContact O-N 3.13Å; V144-I147 VanDerWaalsContact O-N 3.15Å; E145-I147 PolarHBondContact O-N 3.47Å; I147-M158 HydrophobicContact CG2-CE 4.41Å; I147-A1141 HydrophobicContact CB-CB 4.36Å; I147-L1144 HydrophobicContact CG2-CD2 4.16Å; I147-L1145 HydrophobicContact CD1-CD1 3.78Å; I147-L1145 HydrophobicContact CD1-CD2 3.96Å; I147-L1145 HydrophobicContact CD1-CG 4.07Å; I147-L1145 HydrophobicContact CG2-CG 4.48Å
148A79.8Confident83.3Confident0 Ų051.2 Ų51.20%026%0.264CS..Hα-helixtrans-67.8-38.8173.800000111.6E145 K150 R155 M1129 K1137 A1141E145-A148 PolarHBondContact O-N 3.31Å; A148-K150 PolarHBondContact O-N 3.07Å; A148-R155 PolarHBondContact O-NH2 2.94Å; A148-M1129 HydrophobicContact CB-SD 4.26Å; A148-K1137 HydrophobicContact CB-CB 4.49Å; A148-A1141 HydrophobicContact CB-CB 3.95Å
149M83.2Confident83.6Confident76 Ų7650.7 Ų50.737%0.37426%0.261SS..Hα-helixtrans-82.6-3.1-176.4-63.9-67.2-58.900114.8E145 S146 N151 D1130 K1137E145-M149 WeakPolarHBondContact O-CB 3.36Å; E145-M149 VanDerWaalsContact O-CG 3.23Å; E145-M149 WeakPolarHBondContact O-CG 3.18Å; E145-M149 PolarHBondContact O-N 3.27Å; S146-M149 CarbonylContact O-C 3.55Å; S146-M149 PolarHBondContact O-N 3.32Å; M149-N151 PolarHBondContact O-N 3.39Å; M149-D1130 WeakPolarHBondContact CE-OD1 3.44Å; M149-K1137 HydrophobicContact CG-CD 4.44Å; M149-K1137 HydrophobicContact SD-CD 3.81Å; M149-K1137 WeakPolarHBondContact SD-CE 3.18Å
150K85Confident83.7Confident67 Ų6751.2 Ų51.229%0.29126%0.263SS..SBendtrans-54.2137.2174.1-82.1-170.7-179.9-161.30109.9S146 A148 E154 R155 M158S146-K150 WeakPolarHBondContact O-CG 3.17Å; S146-K150 PolarHBondContact O-N 3.36Å; A148-K150 PolarHBondContact O-N 3.07Å; K150-E154 HydrophobicContact CB-CB 4.13Å; K150-E154 HydrophobicContact CD-CB 4.17Å; K150-E154 HydrophobicContact CG-CB 4.3Å; K150-R155 PolarHBondContact O-NH2 2.85Å; K150-M158 HydrophobicContact CD-CE 3.56Å
151N85.8Confident83.8Confident81 Ų8152.5 Ų52.543%0.43327%0.27SS..  trans-62.5158.8174.268.547.5000109.7M149 R153 E154 R155M149-N151 PolarHBondContact O-N 3.39Å; N151-R153 PolarHBondContact O-N 3.16Å; N151-R153 VanDerWaalsContact O-N 3.08Å; N151-R153 PolarHBondContact OD1-N 2.95Å; N151-E154 PolarHBondContact N-OE2 3.34Å; N151-E154 PolarHBondContact ND2-OE1 3.25Å; N151-E154 PolarHBondContact ND2-OE2 3.33Å; N151-E154 PolarHBondContact O-N 2.95Å; N151-E154 WeakPolarHBondContact OD1-CB 3.27Å; N151-E154 VanDerWaalsContact OD1-CG 3.3Å; N151-E154 WeakPolarHBondContact OD1-CG 3.19Å; N151-E154 PolarHBondContact OD1-N 2.9Å; N151-R155 PolarHBondContact O-N 3.45Å
152A87Confident84.2Confident15 Ų1548 Ų4812%0.12425%0.249CC..Hα-helixtrans-62.8-22.9-171.800000113.6C156 E1114 I1115A152-C156 PolarHBondContact O-N 3.4Å; A152-E1114 HydrophobicContact CB-CB 3.53Å; A152-E1114 HydrophobicContact CB-CG 3.72Å; A152-I1115 WeakPolarHBondContact CB-O 3.2Å; A152-I1115 PolarHBondContact O-N 2.74Å
153R86.5Confident84.8Confident187 Ų18745.7 Ų45.771%0.70622%0.224SC*.Hα-helixtrans-79.3-42.2175.6-169.9176.9-174.7174.33.5113.2N151 R155 C156 Q157N151-R153 PolarHBondContact O-N 3.16Å; N151-R153 VanDerWaalsContact O-N 3.08Å; N151-R153 PolarHBondContact OD1-N 2.95Å; R153-R155 VanDerWaalsContact C-N 3.26Å; R153-R155 PolarHBondContact O-N 3.05Å; R153-C156 WeakPolarHBondContact O-CB 3.2Å; R153-C156 PolarHBondContact O-N 2.84Å; R153-Q157 PolarHBondContact O-N 3.28Å
154E87Confident85.2Confident87 Ų8748.3 Ų48.341%0.40723%0.23SC..Hα-helixtrans-64.6-35.4172.3-75170.2176.700111K150 N151 Q157 M158K150-E154 HydrophobicContact CB-CB 4.13Å; K150-E154 HydrophobicContact CD-CB 4.17Å; K150-E154 HydrophobicContact CG-CB 4.3Å; N151-E154 PolarHBondContact N-OE2 3.34Å; N151-E154 PolarHBondContact ND2-OE1 3.25Å; N151-E154 PolarHBondContact ND2-OE2 3.33Å; N151-E154 PolarHBondContact O-N 2.95Å; N151-E154 WeakPolarHBondContact OD1-CB 3.27Å; N151-E154 VanDerWaalsContact OD1-CG 3.3Å; N151-E154 WeakPolarHBondContact OD1-CG 3.19Å; N151-E154 PolarHBondContact OD1-N 2.9Å; E154-Q157 PolarHBondContact O-N 2.88Å; E154-M158 PolarHBondContact O-N 3.48Å
155R87.6Confident85.6Confident15 Ų1548 Ų486%0.05723%0.228CC..Hα-helixtrans-62.8-47.7170-166.2-179.9-60119.41110.4A148 K150 N151 R153 Q157 M158 F159 I1115 F1117A148-R155 PolarHBondContact O-NH2 2.94Å; K150-R155 PolarHBondContact O-NH2 2.85Å; N151-R155 PolarHBondContact O-N 3.45Å; R153-R155 VanDerWaalsContact C-N 3.26Å; R153-R155 PolarHBondContact O-N 3.05Å; R155-Q157 VanDerWaalsContact C-N 3.32Å; R155-Q157 PolarHBondContact O-N 2.76Å; R155-M158 WeakPolarHBondContact O-CB 3.29Å; R155-M158 PolarHBondContact O-N 3.35Å; R155-M158 VanDerWaalsContact O-N 3.12Å; R155-F159 HydrophobicContact CG-CD2 4.37Å; R155-F159 HydrophobicContact CG-CE2 4.12Å; R155-F159 VanDerWaalsContact O-CD2 3.31Å; R155-F159 WeakPolarHBondContact O-CD2 3.46Å; R155-F159 PolarHBondContact O-N 3.39Å; R155-F159 VanDerWaalsContact O-N 3.11Å; R155-I1115 HydrophobicContact CG-CB 4.47Å; R155-I1115 PolarHBondContact NH1-O 2.9Å; R155-F1117 VanDerWaalsContact CZ-CB 3.44Å
156C89.8Confident86.1Confident4 Ų446.1 Ų46.13%0.02723%0.227CC..Hα-helixtrans-56-44.9173.5-175.70000112.3A152 R153 M158 F159 E160 E1113 I1115A152-C156 PolarHBondContact O-N 3.4Å; R153-C156 WeakPolarHBondContact O-CB 3.2Å; R153-C156 PolarHBondContact O-N 2.84Å; C156-M158 VanDerWaalsContact C-N 3.3Å; C156-M158 PolarHBondContact O-N 3.04Å; C156-F159 WeakPolarHBondContact O-CB 3.47Å; C156-F159 PolarHBondContact O-N 2.84Å; C156-F159 VanDerWaalsContact O-N 3.1Å; C156-E160 PolarHBondContact O-N 3.25Å; C156-E1113 WeakPolarHBondContact CB-O 3.2Å; C156-E1113 PolarHBondContact SG-O 3.24Å; C156-I1115 HydrophobicContact CB-CD1 4.3Å; C156-I1115 HydrophobicContact CB-CG1 4.11Å
157Q87.5Confident86.5Confident102 Ų10249.6 Ų49.648%0.47724%0.236SC..Hα-helixtrans-59.9-40.6176.6-176.5-178.7-14.900112R153 E154 R155 F159 E160 E161R153-Q157 PolarHBondContact O-N 3.28Å; E154-Q157 PolarHBondContact O-N 2.88Å; R155-Q157 VanDerWaalsContact C-N 3.32Å; R155-Q157 PolarHBondContact O-N 2.76Å; Q157-F159 VanDerWaalsContact C-N 3.31Å; Q157-F159 PolarHBondContact O-N 2.9Å; Q157-E160 WeakPolarHBondContact O-CB 3.27Å; Q157-E160 PolarHBondContact O-N 3.28Å; Q157-E160 VanDerWaalsContact O-N 3.17Å; Q157-E161 PolarHBondContact NE2-OE1 3.43Å; Q157-E161 WeakPolarHBondContact O-CG 3.28Å; Q157-E161 PolarHBondContact O-N 3.39Å
158M85.7Confident86.9Confident28 Ų2850.6 Ų50.614%0.13824%0.242CC..Hα-helixtrans-60.1-41.8175.1-174.6-172.4-69.700111.6I147 K150 E154 R155 C156 E161 I162 M1148I147-M158 HydrophobicContact CG2-CE 4.41Å; K150-M158 HydrophobicContact CD-CE 3.56Å; E154-M158 PolarHBondContact O-N 3.48Å; R155-M158 WeakPolarHBondContact O-CB 3.29Å; R155-M158 PolarHBondContact O-N 3.35Å; R155-M158 VanDerWaalsContact O-N 3.12Å; C156-M158 VanDerWaalsContact C-N 3.3Å; C156-M158 PolarHBondContact O-N 3.04Å; M158-E161 PolarHBondContact O-N 3.19Å; M158-I162 HydrophobicContact CG-CD1 3.96Å; M158-I162 WeakPolarHBondContact O-CD1 2.95Å; M158-I162 VanDerWaalsContact O-CG1 3.27Å; M158-I162 WeakPolarHBondContact O-CG1 3.42Å; M158-I162 PolarHBondContact O-N 3.14Å; M158-M1148 HydrophobicContact CG-CE 4.08Å; M158-M1148 HydrophobicContact CG-SD 4.38Å; M158-M1148 HydrophobicContact SD-CE 3.37Å; M158-M1148 WeakPolarHBondContact SD-CE 3.34Å; M158-M1148 HydrophobicContact SD-SD 3.58Å
159F89.2Confident87.5Confident1 Ų155.3 Ų55.30%0.00426%0.262CS..Hα-helixtrans-67-37.3174.2-82.9-109.2000112.2R155 C156 Q157 E161 I162 S163 F1074 F1078 I1081 L1102 I1115 L1144 M1148R155-F159 HydrophobicContact CG-CD2 4.37Å; R155-F159 HydrophobicContact CG-CE2 4.12Å; R155-F159 VanDerWaalsContact O-CD2 3.31Å; R155-F159 WeakPolarHBondContact O-CD2 3.46Å; R155-F159 PolarHBondContact O-N 3.39Å; R155-F159 VanDerWaalsContact O-N 3.11Å; C156-F159 WeakPolarHBondContact O-CB 3.47Å; C156-F159 PolarHBondContact O-N 2.84Å; C156-F159 VanDerWaalsContact O-N 3.1Å; Q157-F159 VanDerWaalsContact C-N 3.31Å; Q157-F159 PolarHBondContact O-N 2.9Å; F159-E161 VanDerWaalsContact C-N 3.32Å; F159-E161 PolarHBondContact O-N 3.15Å; F159-I162 PolarHBondContact O-N 3.04Å; F159-S163 VanDerWaalsContact O-CB 3.22Å; F159-S163 WeakPolarHBondContact O-CB 3.47Å; F159-S163 PolarHBondContact O-N 2.67Å; F159-S163 PolarHBondContact O-OG 2.76Å; F159-F1074 HydrophobicContact CB-CE2 3.93Å; F159-F1074 HydrophobicContact CB-CZ 4.22Å; F159-F1078 HydrophobicContact CD1-CB 4.37Å; F159-F1078 HydrophobicContact CD1-CD2 4.07Å; F159-F1078 AromaticContact CE1-CD2 3.88Å; F159-F1078 HydrophobicContact CE1-CD2 3.88Å; F159-I1081 HydrophobicContact CD1-CD1 3.92Å; F159-I1081 HydrophobicContact CE1-CB 3.88Å; F159-I1081 HydrophobicContact CE1-CD1 3.49Å; F159-I1081 VanDerWaalsContact CE1-CD1 3.49Å; F159-I1081 HydrophobicContact CE1-CG1 4.28Å; F159-I1081 HydrophobicContact CE1-CG2 3.9Å; F159-I1081 HydrophobicContact CZ-CB 4.29Å; F159-I1081 HydrophobicContact CZ-CD1 4.07Å; F159-I1081 HydrophobicContact CZ-CG2 3.77Å; F159-L1102 HydrophobicContact CE1-CD1 4.45Å; F159-L1102 HydrophobicContact CZ-CD1 3.77Å; F159-I1115 HydrophobicContact CB-CD1 3.84Å; F159-I1115 HydrophobicContact CD1-CD1 4.03Å; F159-I1115 HydrophobicContact CD2-CD1 3.59Å; F159-I1115 HydrophobicContact CE1-CD1 4.48Å; F159-I1115 HydrophobicContact CE2-CD1 4.08Å; F159-I1115 HydrophobicContact CG-CD1 3.54Å; F159-L1144 HydrophobicContact CE2-CD1 4.41Å; F159-L1144 HydrophobicContact CZ-CD1 4.28Å; F159-M1148 HydrophobicContact CD2-CE 3.88Å; F159-M1148 HydrophobicContact CE2-CE 3.38Å; F159-M1148 HydrophobicContact CZ-CE 3.91Å
160E89.4Confident87.9Confident14 Ų1458.9 Ų58.97%0.06528%0.278CS..Hα-helixtrans-62.9-38.4174.3-69.9-155.69000112.4C156 Q157 S163 K164 S165 A166 R1070 F1074C156-E160 PolarHBondContact O-N 3.25Å; Q157-E160 WeakPolarHBondContact O-CB 3.27Å; Q157-E160 PolarHBondContact O-N 3.28Å; Q157-E160 VanDerWaalsContact O-N 3.17Å; E160-S163 WeakPolarHBondContact CA-OG 3.23Å; E160-S163 PolarHBondContact O-OG 3.46Å; E160-K164 CarbonylContact O-C 3.5Å; E160-K164 PolarHBondContact O-N 3.13Å; E160-S165 VanDerWaalsContact CA-OG 3.28Å; E160-S165 WeakPolarHBondContact CA-OG 3.28Å; E160-S165 WeakPolarHBondContact CB-OG 3.22Å; E160-S165 WeakPolarHBondContact CG-OG 3.07Å; E160-S165 PolarHBondContact O-N 3.23Å; E160-S165 PolarHBondContact OE1-OG 3.1Å; E160-A166 HydrophobicContact CB-CB 4.17Å; E160-A166 PolarHBondContact O-N 3.15Å; E160-R1070 IonicContact OE1-CZ 3.4Å; E160-R1070 IonicContact OE1-NE 2.66Å; E160-R1070 PolarHBondContact OE1-NE 3.04Å; E160-R1070 IonicContact OE1-NH2 2.81Å; E160-R1070 PolarHBondContact OE1-NH2 3.35Å; E160-R1070 IonicContact OE2-NH2 3.91Å; E160-F1074 HydrophobicContact CG-CD2 3.93Å; E160-F1074 HydrophobicContact CG-CE2 3.82Å
161E84.8Confident88.2Confident74 Ų7459 Ų5935%0.34628%0.279SS..Hα-helixtrans-69.2-45.9177.1-73.2171.7-169.300111.1V134 Q157 M158 F159 K164V134-E161 HydrophobicContact CG2-CB 4.36Å; V134-E161 WeakPolarHBondContact CG2-O 3.36Å; Q157-E161 PolarHBondContact NE2-OE1 3.43Å; Q157-E161 WeakPolarHBondContact O-CG 3.28Å; Q157-E161 PolarHBondContact O-N 3.39Å; M158-E161 PolarHBondContact O-N 3.19Å; F159-E161 VanDerWaalsContact C-N 3.32Å; F159-E161 PolarHBondContact O-N 3.15Å; E161-K164 PolarHBondContact O-N 3.49Å
162I85.3Confident88.6Confident11 Ų1155.2 Ų55.26%0.05626%0.259CS..Hα-helixtrans-66-39.7178.7-66.7164.4000111.7V134 M158 F159 K164 M1148 Y1151V134-I162 HydrophobicContact CG1-CB 4.29Å; V134-I162 HydrophobicContact CG1-CG1 3.46Å; V134-I162 VanDerWaalsContact CG1-CG1 3.46Å; M158-I162 HydrophobicContact CG-CD1 3.96Å; M158-I162 WeakPolarHBondContact O-CD1 2.95Å; M158-I162 VanDerWaalsContact O-CG1 3.27Å; M158-I162 WeakPolarHBondContact O-CG1 3.42Å; M158-I162 PolarHBondContact O-N 3.14Å; F159-I162 PolarHBondContact O-N 3.04Å; I162-K164 PolarHBondContact O-N 2.94Å; I162-M1148 HydrophobicContact CD1-CB 4.11Å; I162-M1148 HydrophobicContact CD1-CE 3.95Å; I162-M1148 HydrophobicContact CD1-CG 3.71Å; I162-M1148 HydrophobicContact CD1-SD 3.47Å; I162-M1148 WeakPolarHBondContact CD1-SD 3.33Å; I162-Y1151 HydrophobicContact CG2-CD1 3.66Å; I162-Y1151 HydrophobicContact CG2-CE1 3.97Å
163S87.9Confident88.9Confident10 Ų1058.3 Ų58.37%0.0727%0.273CS..THydrogen-bonded Turntrans-77.4-8.8178.761.90000114F159 E160 S165 A1073F159-S163 VanDerWaalsContact O-CB 3.22Å; F159-S163 WeakPolarHBondContact O-CB 3.47Å; F159-S163 PolarHBondContact O-N 2.67Å; F159-S163 PolarHBondContact O-OG 2.76Å; E160-S163 WeakPolarHBondContact CA-OG 3.23Å; E160-S163 PolarHBondContact O-OG 3.46Å; S163-S165 PolarHBondContact O-N 3.25Å; S163-S165 WeakPolarHBondContact OG-CB 3.31Å; S163-S165 PolarHBondContact OG-N 2.9Å; S163-S165 PolarHBondContact OG-OG 2.77Å; S163-A1073 WeakPolarHBondContact CB-O 3.46Å
164K86Confident89.2Confident80 Ų8054.9 Ų54.935%0.34827%0.267SS..THydrogen-bonded Turntrans59.312.2-167.3-54.3-173174.7-164.90114.1E126 E160 E161 I162 A166 E167E126-K164 IonicContact OE2-NZ 3.64Å; E126-K164 PolarHBondContact OE2-NZ 3.16Å; E160-K164 CarbonylContact O-C 3.5Å; E160-K164 PolarHBondContact O-N 3.13Å; E161-K164 PolarHBondContact O-N 3.49Å; I162-K164 PolarHBondContact O-N 2.94Å; K164-A166 PolarHBondContact O-N 2.93Å; K164-E167 PolarHBondContact O-N 3.22Å
165S90.2Very high89.4Confident0 Ų050.7 Ų50.70%025%0.247CC..G310 helixtrans-65.3-22.8176.975.70000112.4E160 S163 E167 L168E160-S165 VanDerWaalsContact CA-OG 3.28Å; E160-S165 WeakPolarHBondContact CA-OG 3.28Å; E160-S165 WeakPolarHBondContact CB-OG 3.22Å; E160-S165 WeakPolarHBondContact CG-OG 3.07Å; E160-S165 PolarHBondContact O-N 3.23Å; E160-S165 PolarHBondContact OE1-OG 3.1Å; S163-S165 PolarHBondContact O-N 3.25Å; S163-S165 WeakPolarHBondContact OG-CB 3.31Å; S163-S165 PolarHBondContact OG-N 2.9Å; S163-S165 PolarHBondContact OG-OG 2.77Å; S165-E167 PolarHBondContact O-N 2.91Å; S165-L168 PolarHBondContact O-N 3.4Å; S165-L168 VanDerWaalsContact O-N 3.15Å
166A87.5Confident89.7Confident40 Ų4053 Ų5333%0.33126%0.258SS..G310 helixtrans-58.7-29.5174.700000113.1E160 K164 L168 K169E160-A166 HydrophobicContact CB-CB 4.17Å; E160-A166 PolarHBondContact O-N 3.15Å; K164-A166 PolarHBondContact O-N 2.93Å; A166-L168 VanDerWaalsContact C-N 3.26Å; A166-L168 PolarHBondContact O-N 2.84Å; A166-K169 WeakPolarHBondContact O-CB 3.36Å; A166-K169 PolarHBondContact O-N 3.38Å
167E88Confident89.9Confident132 Ų13259.5 Ų59.562%0.61729%0.289SS*.G310 helixtrans-68.3-26.7178.8-61.2179.2174.700112.3K164 S165 K169K164-E167 PolarHBondContact O-N 3.22Å; S165-E167 PolarHBondContact O-N 2.91Å; E167-K169 VanDerWaalsContact C-N 3.33Å
168L91.5Very high90.1Very high39 Ų3958.8 Ų58.820%0.20429%0.286CS..G310 helixtrans-86.1-5.9177.9-63.9170.6000112.8S165 A166 E171 Y172 L1069 R1070S165-L168 PolarHBondContact O-N 3.4Å; S165-L168 VanDerWaalsContact O-N 3.15Å; A166-L168 VanDerWaalsContact C-N 3.26Å; A166-L168 PolarHBondContact O-N 2.84Å; L168-E171 PolarHBondContact O-N 3.28Å; L168-Y172 VanDerWaalsContact O-CB 3.25Å; L168-Y172 WeakPolarHBondContact O-CB 3.3Å; L168-Y172 PolarHBondContact O-N 3.49Å; L168-L1069 HydrophobicContact CD1-CB 3.85Å; L168-R1070 HydrophobicContact CB-CB 4.09Å; L168-R1070 HydrophobicContact CB-CG 4.25Å; L168-R1070 HydrophobicContact CD1-CB 4.05Å
169K91.9Very high90.5Very high98 Ų9858.4 Ų58.443%0.42628%0.284SS..Hα-helixtrans-63.2-46.9-175.7-176.9176176.5174.80112.3A166 E167 Y172 D173A166-K169 WeakPolarHBondContact O-CB 3.36Å; A166-K169 PolarHBondContact O-N 3.38Å; E167-K169 VanDerWaalsContact C-N 3.33Å; K169-Y172 WeakPolarHBondContact O-CB 3.31Å; K169-Y172 PolarHBondContact O-N 3.34Å; K169-D173 PolarHBondContact O-N 3.34Å
170E91.6Very high90.6Very high151 Ų15162.9 Ų62.971%0.70631%0.305SS*.Hα-helixtrans-63.3-44.4179.3-67.5-174.8176.300111.5Y172 D173 M174E170-Y172 VanDerWaalsContact C-N 3.32Å; E170-Y172 PolarHBondContact O-N 3.17Å; E170-D173 PolarHBondContact O-N 2.88Å; E170-M174 WeakPolarHBondContact O-CB 3.32Å; E170-M174 VanDerWaalsContact O-CG 3.3Å; E170-M174 WeakPolarHBondContact O-CG 3.26Å; E170-M174 PolarHBondContact O-N 3.37Å
171E91.7Very high90.7Very high70 Ų7068.8 Ų68.833%0.32733%0.331SS..Hα-helixtrans-66.5-35.5177.2-166.5176.8-169.600112.1L168 S175 R1062 V1066L168-E171 PolarHBondContact O-N 3.28Å; E171-S175 WeakPolarHBondContact O-CB 3.27Å; E171-S175 PolarHBondContact O-N 3.42Å; E171-S175 PolarHBondContact O-OG 3.2Å; E171-R1062 IonicContact OE1-CZ 2.68Å; E171-R1062 IonicContact OE1-NE 2.61Å; E171-R1062 PolarHBondContact OE1-NE 3.41Å; E171-R1062 IonicContact OE1-NH2 3.32Å; E171-R1062 PolarHBondContact OE1-NH2 3.44Å; E171-V1066 HydrophobicContact CB-CG1 4.21Å; E171-V1066 HydrophobicContact CG-CG1 4.3Å; E171-V1066 HydrophobicContact CG-CG2 3.9Å
172Y94.4Very high91.1Very high1 Ų166.4 Ų66.40%0.00432%0.32CS..Hα-helixtrans-61.2-52.3174.6174.2-83.2000110.7L168 K169 E170 S175 K176 F1063 R1067 E1109 Y1111L168-Y172 VanDerWaalsContact O-CB 3.25Å; L168-Y172 WeakPolarHBondContact O-CB 3.3Å; L168-Y172 PolarHBondContact O-N 3.49Å; K169-Y172 WeakPolarHBondContact O-CB 3.31Å; K169-Y172 PolarHBondContact O-N 3.34Å; E170-Y172 VanDerWaalsContact C-N 3.32Å; E170-Y172 PolarHBondContact O-N 3.17Å; Y172-S175 PolarHBondContact O-N 2.84Å; Y172-K176 HydrophobicContact CE1-CD 3.92Å; Y172-K176 WeakPolarHBondContact O-CB 3.42Å; Y172-K176 PolarHBondContact O-N 3.45Å; Y172-K176 PolarHBondContact OH-NZ 3.45Å; Y172-F1063 AromaticContact CD2-CE2 3.93Å; Y172-F1063 HydrophobicContact CD2-CE2 3.93Å; Y172-F1063 HydrophobicContact CE1-CE2 4.33Å; Y172-F1063 AromaticContact CE2-CE2 3.52Å; Y172-F1063 HydrophobicContact CE2-CE2 3.52Å; Y172-F1063 AromaticContact CE2-CZ 3.9Å; Y172-F1063 HydrophobicContact CE2-CZ 3.9Å; Y172-F1063 HydrophobicContact CG-CE2 4.5Å; Y172-F1063 AromaticContact CZ-CE2 3.73Å; Y172-R1067 HydrophobicContact CD2-CB 4.36Å; Y172-R1067 HydrophobicContact CE2-CB 4.14Å; Y172-R1067 HydrophobicContact CE2-CG 4.14Å; Y172-E1109 WeakPolarHBondContact CE2-OE1 3.31Å; Y172-E1109 PolarHBondContact OH-OE1 3.41Å; Y172-E1109 PolarHBondContact OH-OE2 3.04Å; Y172-Y1111 HydrophobicContact CE2-CE2 4.19Å
173D92.7Very high91.2Very high80 Ų8069.2 Ų69.243%0.42833%0.333SS..Hα-helixtrans-63.9-44.3-177.4-70.4-23.6000111.1K169 E170 K176 M177K169-D173 PolarHBondContact O-N 3.34Å; E170-D173 PolarHBondContact O-N 2.88Å; D173-K176 PolarHBondContact O-N 3.45Å; D173-M177 WeakPolarHBondContact O-CB 3.38Å; D173-M177 PolarHBondContact O-N 3.39Å
174M93.5Very high91.3Very high115 Ų11575.2 Ų75.257%0.56736%0.36SS*.Hα-helixtrans-61.7-46.7175.7-73-169.9-66.600112.3E170 K176 M177 E178E170-M174 WeakPolarHBondContact O-CB 3.32Å; E170-M174 VanDerWaalsContact O-CG 3.3Å; E170-M174 WeakPolarHBondContact O-CG 3.26Å; E170-M174 PolarHBondContact O-N 3.37Å; M174-K176 VanDerWaalsContact C-N 3.33Å; M174-K176 PolarHBondContact O-N 3.19Å; M174-M177 PolarHBondContact O-N 3.29Å; M174-E178 WeakPolarHBondContact O-CB 3.34Å; M174-E178 PolarHBondContact O-N 3.12Å
175S91.9Very high91.5Very high0 Ų074.5 Ų74.50%036%0.36CS..Hα-helixtrans-67-35.3-178.9-59.30000111.9E171 Y172 M179E171-S175 WeakPolarHBondContact O-CB 3.27Å; E171-S175 PolarHBondContact O-N 3.42Å; E171-S175 PolarHBondContact O-OG 3.2Å; Y172-S175 PolarHBondContact O-N 2.84Å; S175-M179 WeakPolarHBondContact O-CB 3.48Å; S175-M179 PolarHBondContact O-N 3.46Å
176K93.4Very high91.4Very high63 Ų6375.1 Ų75.127%0.27437%0.365SS..Hα-helixtrans-65.3-47.8175.8-170.9172.5-176168.20111.4Y172 D173 M174 M179 Q180 F1063Y172-K176 HydrophobicContact CE1-CD 3.92Å; Y172-K176 WeakPolarHBondContact O-CB 3.42Å; Y172-K176 PolarHBondContact O-N 3.45Å; Y172-K176 PolarHBondContact OH-NZ 3.45Å; D173-K176 PolarHBondContact O-N 3.45Å; M174-K176 VanDerWaalsContact C-N 3.33Å; M174-K176 PolarHBondContact O-N 3.19Å; K176-M179 PolarHBondContact O-N 3.17Å; K176-Q180 WeakPolarHBondContact O-CG 3.47Å; K176-Q180 PolarHBondContact O-N 2.87Å; K176-F1063 HydrophobicContact CB-CD2 3.81Å; K176-F1063 HydrophobicContact CB-CE2 3.64Å; K176-F1063 HydrophobicContact CD-CE2 4.08Å; K176-F1063 HydrophobicContact CD-CZ 4.37Å; K176-F1063 HydrophobicContact CG-CD2 4.4Å; K176-F1063 HydrophobicContact CG-CE2 3.89Å; K176-F1063 HydrophobicContact CG-CZ 4.31Å
177M93.6Very high91.4Very high140 Ų14077.2 Ų77.269%0.6937%0.374SS*.Hα-helixtrans-63.6-42.6178.2-170.7-177.6-174.500111.8D173 M174 K181D173-M177 WeakPolarHBondContact O-CB 3.38Å; D173-M177 PolarHBondContact O-N 3.39Å; M174-M177 PolarHBondContact O-N 3.29Å; M177-K181 WeakPolarHBondContact O-CB 3.44Å; M177-K181 PolarHBondContact O-N 3.42Å; M177-K181 VanDerWaalsContact O-N 3.11Å
178E92Very high91.5Very high88 Ų8877.2 Ų77.241%0.41137%0.372SS..Hα-helixtrans-61.4-45.6176.1-174.6-179.4-171.400111.6M174 L182 A1059 R1062M174-E178 WeakPolarHBondContact O-CB 3.34Å; M174-E178 PolarHBondContact O-N 3.12Å; E178-L182 HydrophobicContact CG-CD1 3.97Å; E178-L182 WeakPolarHBondContact O-CG 3.17Å; E178-L182 PolarHBondContact O-N 3.14Å; E178-L182 VanDerWaalsContact O-N 3.13Å; E178-A1059 HydrophobicContact CG-CB 4.3Å; E178-R1062 IonicContact OE2-NH1 3.11Å
179M93.3Very high91.3Very high20 Ų2076 Ų7610%0.09937%0.366CS..Hα-helixtrans-59-51.5177.3179.7-166.773.200111.8S175 K176 K181 L182 E183 A1059 K1060 F1063S175-M179 WeakPolarHBondContact O-CB 3.48Å; S175-M179 PolarHBondContact O-N 3.46Å; K176-M179 PolarHBondContact O-N 3.17Å; M179-K181 PolarHBondContact O-N 3.2Å; M179-L182 PolarHBondContact O-N 3.42Å; M179-E183 PolarHBondContact O-N 3.4Å; M179-A1059 HydrophobicContact CB-CB 4.25Å; M179-K1060 HydrophobicContact CG-CB 4.07Å; M179-K1060 HydrophobicContact SD-CB 4.03Å; M179-K1060 HydrophobicContact SD-CG 3.95Å; M179-F1063 HydrophobicContact CE-CD1 4.16Å; M179-F1063 HydrophobicContact CE-CE1 4.39Å; M179-F1063 HydrophobicContact SD-CB 4.22Å; M179-F1063 HydrophobicContact SD-CD1 3.75Å; M179-F1063 HydrophobicContact SD-CE1 4.5Å; M179-F1063 HydrophobicContact SD-CG 4.16Å
180Q91.8Very high91.2Very high94 Ų9474.5 Ų74.544%0.43936%0.362SS..Hα-helixtrans-59.5-47.5-178.7-73.4176.4-28.700111.7K176 L182 E183 E184K176-Q180 WeakPolarHBondContact O-CG 3.47Å; K176-Q180 PolarHBondContact O-N 2.87Å; Q180-L182 VanDerWaalsContact C-N 3.29Å; Q180-L182 PolarHBondContact O-N 3.28Å; Q180-E183 PolarHBondContact O-N 3.4Å; Q180-E184 WeakPolarHBondContact O-CG 3.48Å; Q180-E184 PolarHBondContact O-N 2.91Å
181K92.6Very high90.9Very high138 Ų13871.7 Ų71.760%0.635%0.352SS*.Hα-helixtrans-58.5-39.4177.7-174.3-179.8-178.5178.20112.5M177 M179 N185M177-K181 WeakPolarHBondContact O-CB 3.44Å; M177-K181 PolarHBondContact O-N 3.42Å; M177-K181 VanDerWaalsContact O-N 3.11Å; M179-K181 PolarHBondContact O-N 3.2Å; K181-N185 WeakPolarHBondContact O-CB 3.49Å; K181-N185 VanDerWaalsContact O-CG 3.23Å; K181-N185 PolarHBondContact O-N 3.48Å; K181-N185 VanDerWaalsContact O-N 3.17Å; K181-N185 PolarHBondContact O-ND2 3.28Å
182L91.9Very high90.8Very high24 Ų2472.3 Ų72.313%0.12635%0.354CS..Hα-helixtrans-74.9-34.9179.5-71.4169.4000112.7E178 M179 Q180 N185 A186 R1055 A1056 A1059E178-L182 HydrophobicContact CG-CD1 3.97Å; E178-L182 WeakPolarHBondContact O-CG 3.17Å; E178-L182 PolarHBondContact O-N 3.14Å; E178-L182 VanDerWaalsContact O-N 3.13Å; M179-L182 PolarHBondContact O-N 3.42Å; Q180-L182 VanDerWaalsContact C-N 3.29Å; Q180-L182 PolarHBondContact O-N 3.28Å; L182-N185 PolarHBondContact O-N 3.49Å; L182-A186 WeakPolarHBondContact O-CB 3.49Å; L182-A186 PolarHBondContact O-N 3.22Å; L182-R1055 HydrophobicContact CD1-CB 4.02Å; L182-R1055 HydrophobicContact CD2-CB 3.98Å; L182-A1056 HydrophobicContact CB-CB 3.93Å; L182-A1059 HydrophobicContact CD1-CB 3.65Å
183E87.7Confident90.5Very high71 Ų7174.5 Ų74.533%0.33236%0.363SS..Hα-helixtrans-66.3-40.5174.3-74.9-174.5158.200111.9M179 Q180 A186 T187 A1056 K1060M179-E183 PolarHBondContact O-N 3.4Å; Q180-E183 PolarHBondContact O-N 3.4Å; E183-A186 PolarHBondContact O-N 2.82Å; E183-T187 PolarHBondContact O-N 3.4Å; E183-T187 VanDerWaalsContact O-N 3.08Å; E183-T187 PolarHBondContact O-OG1 3.49Å; E183-A1056 HydrophobicContact CG-CB 4.31Å; E183-K1060 IonicContact OE1-NZ 3.71Å
184E90.3Very high90.2Very high136 Ų13677.1 Ų77.164%0.63637%0.371SS*.Hα-helixtrans-61.1-48172.7-72.6175.7-179.200111.7Q180 A186 T187 F188Q180-E184 WeakPolarHBondContact O-CG 3.48Å; Q180-E184 PolarHBondContact O-N 2.91Å; E184-A186 VanDerWaalsContact C-N 3.33Å; E184-A186 PolarHBondContact O-N 3.5Å; E184-T187 WeakPolarHBondContact O-CB 3.39Å; E184-T187 PolarHBondContact O-N 3.49Å; E184-T187 VanDerWaalsContact O-N 3.16Å; E184-F188 PolarHBondContact O-N 3.14Å
185N89.6Confident89.9Confident64 Ų6473.3 Ų73.334%0.34236%0.361SS..Hα-helixtrans-61.2-39.4177.2-75-25000112.6K181 L182 T187 F188 N189 T1052K181-N185 WeakPolarHBondContact O-CB 3.49Å; K181-N185 VanDerWaalsContact O-CG 3.23Å; K181-N185 PolarHBondContact O-N 3.48Å; K181-N185 VanDerWaalsContact O-N 3.17Å; K181-N185 PolarHBondContact O-ND2 3.28Å; L182-N185 PolarHBondContact O-N 3.49Å; N185-T187 VanDerWaalsContact C-N 3.32Å; N185-T187 PolarHBondContact O-N 3.44Å; N185-F188 PolarHBondContact O-N 3.2Å; N185-N189 WeakPolarHBondContact O-CB 3.49Å; N185-N189 PolarHBondContact O-N 2.85Å; N185-N189 PolarHBondContact O-ND2 3.39Å; N185-T1052 HydrophobicContact CB-CG2 4.45Å
186A88.1Confident89.6Confident14 Ų1473.5 Ų73.512%0.11636%0.362CS..Hα-helixtrans-64.1-39176.100000111.8L182 E183 E184 L190L182-A186 WeakPolarHBondContact O-CB 3.49Å; L182-A186 PolarHBondContact O-N 3.22Å; E183-A186 PolarHBondContact O-N 2.82Å; E184-A186 VanDerWaalsContact C-N 3.33Å; E184-A186 PolarHBondContact O-N 3.5Å; A186-L190 PolarHBondContact O-N 2.86Å; A186-L190 VanDerWaalsContact O-N 3.08Å
187T88.3Confident89.2Confident83 Ų8373.4 Ų73.451%0.50937%0.367SS..Hα-helixtrans-67.7-42176.7-54.90000111.6E183 E184 N185 L190 N191E183-T187 PolarHBondContact O-N 3.4Å; E183-T187 VanDerWaalsContact O-N 3.08Å; E183-T187 PolarHBondContact O-OG1 3.49Å; E184-T187 WeakPolarHBondContact O-CB 3.39Å; E184-T187 PolarHBondContact O-N 3.49Å; E184-T187 VanDerWaalsContact O-N 3.16Å; N185-T187 VanDerWaalsContact C-N 3.32Å; N185-T187 PolarHBondContact O-N 3.44Å; T187-L190 PolarHBondContact O-N 3.49Å; T187-N191 PolarHBondContact O-N 2.87Å
188F89.5Confident88.8Confident133 Ų13369.7 Ų69.758%0.58336%0.358SS*.Hα-helixtrans-59.4-49.1174.3177.6-97.7000112E184 N185 L190 N191 K192E184-F188 PolarHBondContact O-N 3.14Å; N185-F188 PolarHBondContact O-N 3.2Å; F188-L190 VanDerWaalsContact C-N 3.31Å; F188-L190 PolarHBondContact O-N 3.39Å; F188-N191 PolarHBondContact O-N 3.42Å; F188-K192 HydrophobicContact CE1-CD 4.49Å; F188-K192 PolarHBondContact O-N 2.99Å
189N88.4Confident88.4Confident14 Ų1468.9 Ų68.98%0.07536%0.355CS..Hα-helixtrans-63.9-34179.2-73.5-18.4000112.8N185 K192 K193 F1049 T1052N185-N189 WeakPolarHBondContact O-CB 3.49Å; N185-N189 PolarHBondContact O-N 2.85Å; N185-N189 PolarHBondContact O-ND2 3.39Å; N189-K192 PolarHBondContact O-N 3.44Å; N189-K193 WeakPolarHBondContact O-CB 3.34Å; N189-K193 PolarHBondContact O-N 2.68Å; N189-F1049 HydrophobicContact CB-CB 4.09Å; N189-F1049 HydrophobicContact CB-CD2 4.19Å; N189-T1052 VanDerWaalsContact ND2-CG2 3.35Å; N189-T1052 WeakPolarHBondContact ND2-CG2 3.16Å; N189-T1052 PolarHBondContact ND2-OG1 3.45Å; N189-T1052 VanDerWaalsContact ND2-OG1 3.09Å
190L88Confident87.9Confident65 Ų6573.3 Ų73.334%0.3437%0.37SS..Hα-helixtrans-63.2-42.9174.1-179.761.4000112.1A186 T187 F188 K193 K194 F1049A186-L190 PolarHBondContact O-N 2.86Å; A186-L190 VanDerWaalsContact O-N 3.08Å; T187-L190 PolarHBondContact O-N 3.49Å; F188-L190 VanDerWaalsContact C-N 3.31Å; F188-L190 PolarHBondContact O-N 3.39Å; L190-K193 PolarHBondContact O-N 3.23Å; L190-K194 WeakPolarHBondContact O-CG 3.34Å; L190-K194 PolarHBondContact O-N 2.91Å; L190-K194 VanDerWaalsContact O-N 3.12Å; L190-F1049 HydrophobicContact CB-CD2 4.12Å; L190-F1049 HydrophobicContact CB-CE2 3.8Å; L190-F1049 HydrophobicContact CD1-CE2 4.09Å; L190-F1049 HydrophobicContact CD1-CZ 4.13Å; L190-F1049 HydrophobicContact CG-CE2 4.43Å
191N86.6Confident87.3Confident93 Ų9376.2 Ų76.250%0.49738%0.381SS..Hα-helixtrans-69-41.5178.5-71.7-22.9000111.5T187 F188 K193 K194 G195T187-N191 PolarHBondContact O-N 2.87Å; F188-N191 PolarHBondContact O-N 3.42Å; N191-K193 VanDerWaalsContact C-N 3.34Å; N191-K193 PolarHBondContact O-N 3.41Å; N191-K194 PolarHBondContact O-N 3.05Å; N191-G195 PolarHBondContact O-N 2.83Å
192K88.8Confident86.7Confident83 Ų8375.6 Ų75.636%0.36138%0.381SS..Hα-helixtrans-56.8-45.4172.3-172.5-176.7168.6-167.30111.5F188 N189 K194 G195 I196 T1045 E1048F188-K192 HydrophobicContact CE1-CD 4.49Å; F188-K192 PolarHBondContact O-N 2.99Å; N189-K192 PolarHBondContact O-N 3.44Å; K192-K194 PolarHBondContact O-N 3.35Å; K192-G195 PolarHBondContact O-N 3.33Å; K192-I196 HydrophobicContact CG-CD1 4.3Å; K192-I196 WeakPolarHBondContact O-CG1 3.21Å; K192-I196 PolarHBondContact O-N 3.43Å; K192-T1045 HydrophobicContact CB-CG2 4.1Å; K192-T1045 HydrophobicContact CD-CG2 3.88Å; K192-T1045 HydrophobicContact CG-CG2 3.84Å; K192-E1048 IonicContact NZ-OE2 2.79Å; K192-E1048 PolarHBondContact NZ-OE2 2.87Å
193K88.9Confident86.1Confident47 Ų4774.4 Ų74.420%0.20438%0.375CS..Hα-helixtrans-57.8-45.7175.1177.9178.6179.8167.80112.2N189 L190 N191 G195 I196 V197 L1042 T1045 E1046N189-K193 WeakPolarHBondContact O-CB 3.34Å; N189-K193 PolarHBondContact O-N 2.68Å; L190-K193 PolarHBondContact O-N 3.23Å; N191-K193 VanDerWaalsContact C-N 3.34Å; N191-K193 PolarHBondContact O-N 3.41Å; K193-G195 VanDerWaalsContact C-N 3.31Å; K193-G195 PolarHBondContact O-N 3.02Å; K193-I196 PolarHBondContact O-N 3.24Å; K193-V197 WeakPolarHBondContact O-CG2 3.33Å; K193-V197 PolarHBondContact O-N 3.33Å; K193-V197 VanDerWaalsContact O-N 3.11Å; K193-L1042 HydrophobicContact CG-CD1 4.43Å; K193-T1045 HydrophobicContact CB-CG2 4.14Å; K193-E1046 IonicContact NZ-OE1 2.91Å; K193-E1046 PolarHBondContact NZ-OE1 3.03Å
194K85.7Confident85.6Confident134 Ų13477.1 Ų77.158%0.58339%0.385SS*.Hα-helixtrans-60.5-39.4179.7-74.6178.3-179.8176.10112.4L190 N191 K192 A198L190-K194 WeakPolarHBondContact O-CG 3.34Å; L190-K194 PolarHBondContact O-N 2.91Å; L190-K194 VanDerWaalsContact O-N 3.12Å; N191-K194 PolarHBondContact O-N 3.05Å; K192-K194 PolarHBondContact O-N 3.35Å; K194-A198 PolarHBondContact O-N 3.05Å
195G87.3Confident85.1Confident36 Ų3675 Ų7537%0.37138%0.377SS..Hα-helixtrans-61.8-48.7175.600000112.8N191 K192 K193 V197 A198 E199N191-G195 PolarHBondContact O-N 2.83Å; K192-G195 PolarHBondContact O-N 3.33Å; K193-G195 VanDerWaalsContact C-N 3.31Å; K193-G195 PolarHBondContact O-N 3.02Å; G195-V197 VanDerWaalsContact C-N 3.32Å; G195-V197 PolarHBondContact O-N 3.49Å; G195-A198 WeakPolarHBondContact O-CB 3.05Å; G195-A198 PolarHBondContact O-N 3.47Å; G195-A198 VanDerWaalsContact O-N 3.12Å; G195-E199 PolarHBondContact O-N 3.46Å; G195-E199 VanDerWaalsContact O-N 3.16Å
196I86.8Confident84.4Confident3 Ų373.8 Ų73.82%0.01537%0.37CS..Hα-helixtrans-65.5-34.2-178.6-59.6166.7000111.9K192 K193 A198 E199 R200 V1038 R1041 L1042 T1045K192-I196 HydrophobicContact CG-CD1 4.3Å; K192-I196 WeakPolarHBondContact O-CG1 3.21Å; K192-I196 PolarHBondContact O-N 3.43Å; K193-I196 PolarHBondContact O-N 3.24Å; I196-A198 VanDerWaalsContact C-N 3.29Å; I196-A198 PolarHBondContact O-N 3Å; I196-E199 PolarHBondContact O-N 3.28Å; I196-R200 PolarHBondContact O-N 2.69Å; I196-V1038 HydrophobicContact CG2-CG1 4.03Å; I196-R1041 HydrophobicContact CD1-CB 4.32Å; I196-R1041 HydrophobicContact CG2-CB 4.37Å; I196-L1042 HydrophobicContact CB-CD1 4.46Å; I196-L1042 HydrophobicContact CG2-CB 3.81Å; I196-L1042 HydrophobicContact CG2-CD1 4.17Å; I196-T1045 HydrophobicContact CD1-CG2 4.11Å; I196-T1045 WeakPolarHBondContact CD1-OG1 3.19Å
197V84.6Confident83.8Confident62 Ų6274.3 Ų74.338%0.37637%0.37SS..Hα-helixtrans-63.7-35.2175.4170.70000111.9K193 G195 K201 L1042K193-V197 WeakPolarHBondContact O-CG2 3.33Å; K193-V197 PolarHBondContact O-N 3.33Å; K193-V197 VanDerWaalsContact O-N 3.11Å; G195-V197 VanDerWaalsContact C-N 3.32Å; G195-V197 PolarHBondContact O-N 3.49Å; V197-K201 PolarHBondContact O-N 2.66Å; V197-L1042 HydrophobicContact CG2-CD1 3.71Å
198A84.4Confident83.1Confident62 Ų6273.8 Ų73.851%0.51236%0.364SS..Hα-helixtrans-67.9-45.9174.200000111.2K194 G195 I196 R200 K201 E202K194-A198 PolarHBondContact O-N 3.05Å; G195-A198 WeakPolarHBondContact O-CB 3.05Å; G195-A198 PolarHBondContact O-N 3.47Å; G195-A198 VanDerWaalsContact O-N 3.12Å; I196-A198 VanDerWaalsContact C-N 3.29Å; I196-A198 PolarHBondContact O-N 3Å; A198-R200 VanDerWaalsContact C-N 3.29Å; A198-R200 PolarHBondContact O-N 2.64Å; A198-K201 WeakPolarHBondContact O-CB 3.48Å; A198-K201 PolarHBondContact O-N 3.49Å; A198-K201 VanDerWaalsContact O-N 3.12Å; A198-E202 PolarHBondContact O-N 3.34Å
199E83.4Confident82.4Confident71 Ų7172.1 Ų72.133%0.33236%0.358SS..Hα-helixtrans-55.8-41.7174.6-69.1175.7-146.700111.7G195 I196 K201 E202 A203 V1038 R1041G195-E199 PolarHBondContact O-N 3.46Å; G195-E199 VanDerWaalsContact O-N 3.16Å; I196-E199 PolarHBondContact O-N 3.28Å; E199-K201 VanDerWaalsContact C-N 3.32Å; E199-K201 PolarHBondContact O-N 3.36Å; E199-E202 PolarHBondContact O-N 3.26Å; E199-A203 PolarHBondContact O-N 3.03Å; E199-V1038 HydrophobicContact CB-CG1 4.21Å; E199-V1038 HydrophobicContact CB-CG2 4.45Å; E199-R1041 IonicContact OE1-NH2 2.67Å; E199-R1041 PolarHBondContact OE1-NH2 3.09Å; E199-R1041 IonicContact OE2-CZ 2.77Å; E199-R1041 IonicContact OE2-NH1 2.84Å; E199-R1041 PolarHBondContact OE2-NH1 3.14Å; E199-R1041 IonicContact OE2-NH2 3.58Å; E199-R1041 PolarHBondContact OE2-NH2 2.65Å
200R83.8Confident81.8Confident112 Ų11272.1 Ų72.142%0.42336%0.36SS..Hα-helixtrans-62-39.4178.3-166.2-169.478.2-177.56.1112.3I196 A198 E202 K204 L1035 V1038I196-R200 PolarHBondContact O-N 2.69Å; A198-R200 VanDerWaalsContact C-N 3.29Å; A198-R200 PolarHBondContact O-N 2.64Å; R200-E202 VanDerWaalsContact C-N 3.32Å; R200-K204 PolarHBondContact O-N 3.2Å; R200-K204 VanDerWaalsContact O-N 3.15Å; R200-L1035 HydrophobicContact CG-CD1 4.15Å; R200-V1038 HydrophobicContact CB-CG1 3.74Å; R200-V1038 HydrophobicContact CG-CG1 4.28Å
201K79.4Confident81.3Confident156 Ų15674.5 Ų74.568%0.67837%0.369SS*.Hα-helixtrans-66.4-38.9-178.7-173.7-179.7175.5-172.80110.9V197 A198 E199 I205V197-K201 PolarHBondContact O-N 2.66Å; A198-K201 WeakPolarHBondContact O-CB 3.48Å; A198-K201 PolarHBondContact O-N 3.49Å; A198-K201 VanDerWaalsContact O-N 3.12Å; E199-K201 VanDerWaalsContact C-N 3.32Å; E199-K201 PolarHBondContact O-N 3.36Å; K201-I205 WeakPolarHBondContact O-CG1 3.19Å
202E79.6Confident80.8Confident124 Ų12478.3 Ų78.358%0.57938%0.377SS*.Hα-helixtrans-68.9-47.4177.4-164.6170.7-161.200111.5A198 E199 R200 K204 I205 E206A198-E202 PolarHBondContact O-N 3.34Å; E199-E202 PolarHBondContact O-N 3.26Å; R200-E202 VanDerWaalsContact C-N 3.32Å; E202-K204 VanDerWaalsContact C-N 3.3Å; E202-K204 PolarHBondContact O-N 3.35Å; E202-I205 PolarHBondContact O-N 3.49Å; E202-I205 VanDerWaalsContact O-N 3.13Å; E202-E206 PolarHBondContact O-N 3.45Å
203A80Confident80.3Confident0 Ų076.5 Ų76.50%037%0.368CS..Hα-helixtrans-60-35.617800000113.5E199 E206 I207 L1035E199-A203 PolarHBondContact O-N 3.03Å; A203-E206 PolarHBondContact O-N 2.95Å; A203-I207 PolarHBondContact O-N 3.45Å; A203-L1035 HydrophobicContact CB-CD1 4.37Å
204K77Confident79.8Confident127 Ų12780.5 Ų80.555%0.55239%0.385SS*.Hα-helixtrans-66-37.2177.1-173172.8-179.41750112.6R200 E202 I207 D208R200-K204 PolarHBondContact O-N 3.2Å; R200-K204 VanDerWaalsContact O-N 3.15Å; E202-K204 VanDerWaalsContact C-N 3.3Å; E202-K204 PolarHBondContact O-N 3.35Å; K204-I207 PolarHBondContact O-N 3.47Å; K204-D208 PolarHBondContact O-N 3.18Å
205I78.3Confident79.6Confident91 Ų9180.8 Ų80.847%0.46739%0.386SS..Hα-helixtrans-66.2-43.3177-65.2166.2000109.8K201 E202 I207 D208 E209K201-I205 WeakPolarHBondContact O-CG1 3.19Å; E202-I205 PolarHBondContact O-N 3.49Å; E202-I205 VanDerWaalsContact O-N 3.13Å; I205-I207 VanDerWaalsContact C-N 3.34Å; I205-I207 PolarHBondContact O-N 3.29Å; I205-D208 PolarHBondContact O-N 3.44Å; I205-E209 WeakPolarHBondContact O-CG 3.04Å; I205-E209 PolarHBondContact O-N 3.28Å
206E76.1Confident79.4Confident40 Ų4080.3 Ų80.319%0.18738%0.376CS..Hα-helixtrans-60-38.3177.2-67.5176.2-166.800112.8E202 A203 A210 A1031 K1034E202-E206 PolarHBondContact O-N 3.45Å; A203-E206 PolarHBondContact O-N 2.95Å; E206-A210 PolarHBondContact O-N 2.9Å; E206-A210 VanDerWaalsContact O-N 3.13Å; E206-A1031 HydrophobicContact CB-CB 3.76Å; E206-K1034 IonicContact OE1-NZ 3.4Å; E206-K1034 PolarHBondContact OE1-NZ 3.02Å; E206-K1034 IonicContact OE2-NZ 3.12Å; E206-K1034 PolarHBondContact OE2-NZ 3.4Å
207I75.2Confident79.1Confident25 Ų2584.5 Ų84.513%0.12840%0.395CS..Hα-helixtrans-68.7-47.9178.7-72.1170.7000112.1A203 K204 I205 E209 A210 E211 A1031 L1035A203-I207 PolarHBondContact O-N 3.45Å; K204-I207 PolarHBondContact O-N 3.47Å; I205-I207 VanDerWaalsContact C-N 3.34Å; I205-I207 PolarHBondContact O-N 3.29Å; I207-E209 PolarHBondContact O-N 3.01Å; I207-A210 PolarHBondContact O-N 3.5Å; I207-A210 VanDerWaalsContact O-N 3.09Å; I207-E211 HydrophobicContact CG2-CG 4.37Å; I207-E211 PolarHBondContact O-N 3.38Å; I207-A1031 HydrophobicContact CG1-CB 3.7Å; I207-L1035 HydrophobicContact CD1-CB 3.38Å; I207-L1035 HydrophobicContact CD1-CD2 3.52Å; I207-L1035 HydrophobicContact CD1-CG 3.99Å
208D74.3Confident79Confident72 Ų7286 Ų8639%0.38540%0.401SS..Hα-helixtrans-60-32.4-178.9-75.5-11.6000111.1K204 I205 R212K204-D208 PolarHBondContact O-N 3.18Å; I205-D208 PolarHBondContact O-N 3.44Å; D208-R212 WeakPolarHBondContact O-CD 3.38Å; D208-R212 WeakPolarHBondContact O-CG 3.42Å; D208-R212 PolarHBondContact O-N 3.26Å
209E73.9Confident78.9Confident98 Ų9888.5 Ų88.546%0.45840%0.402SS..Hα-helixtrans-71.8-43.5174-70.5176.3173.800112.4I205 I207 R212 Y213 P1027I205-E209 WeakPolarHBondContact O-CG 3.04Å; I205-E209 PolarHBondContact O-N 3.28Å; I207-E209 PolarHBondContact O-N 3.01Å; E209-R212 PolarHBondContact O-N 3.36Å; E209-Y213 PolarHBondContact O-N 3.02Å; E209-Y213 VanDerWaalsContact O-N 3.1Å; E209-P1027 HydrophobicContact CB-CB 4.33Å
210A75.7Confident79Confident13 Ų1385.5 Ų85.511%0.10739%0.388CS..Hα-helixtrans-65.5-41.5179.100000113.5E206 I207 Y213 K214 P1027E206-A210 PolarHBondContact O-N 2.9Å; E206-A210 VanDerWaalsContact O-N 3.13Å; I207-A210 PolarHBondContact O-N 3.5Å; I207-A210 VanDerWaalsContact O-N 3.09Å; A210-Y213 PolarHBondContact O-N 3.23Å; A210-K214 PolarHBondContact O-N 3.32Å; A210-K214 VanDerWaalsContact O-N 3.09Å; A210-P1027 HydrophobicContact CB-CB 4.19Å; A210-P1027 HydrophobicContact CB-CG 4.3Å
211E77.1Confident79Confident115 Ų11583.6 Ų83.654%0.53739%0.389SS..Hα-helixtrans-66.1-40177.9-72.5-167.9166.900112.6I207 Y213 K214 K215I207-E211 HydrophobicContact CG2-CG 4.37Å; I207-E211 PolarHBondContact O-N 3.38Å; E211-Y213 VanDerWaalsContact C-N 3.34Å; E211-K214 PolarHBondContact O-N 3.46Å; E211-K215 PolarHBondContact O-N 3.24Å; E211-K215 VanDerWaalsContact O-N 3.16Å
212R76.6Confident79.3Confident173 Ų17384 Ų8465%0.65339%0.391SS*.Hα-helixtrans-62.6-42.6175.3-74.4174.7-171.4179.75.5111.2D208 E209 L216D208-R212 WeakPolarHBondContact O-CD 3.38Å; D208-R212 WeakPolarHBondContact O-CG 3.42Å; D208-R212 PolarHBondContact O-N 3.26Å; E209-R212 PolarHBondContact O-N 3.36Å; R212-L216 WeakPolarHBondContact O-CB 3.4Å; R212-L216 PolarHBondContact O-N 3.42Å
213Y79.1Confident79.5Confident45 Ų4581.3 Ų81.318%0.17638%0.377CS..Hα-helixtrans-60.6-47.7177-174.8-88.5000112.2E209 A210 E211 L216 Q217 L1021 I1024 P1027E209-Y213 PolarHBondContact O-N 3.02Å; E209-Y213 VanDerWaalsContact O-N 3.1Å; A210-Y213 PolarHBondContact O-N 3.23Å; E211-Y213 VanDerWaalsContact C-N 3.34Å; Y213-L216 PolarHBondContact O-N 2.95Å; Y213-Q217 PolarHBondContact O-N 3.17Å; Y213-L1021 HydrophobicContact CD2-CD2 4.45Å; Y213-L1021 HydrophobicContact CD2-CG 4.31Å; Y213-L1021 HydrophobicContact CE2-CD2 3.58Å; Y213-L1021 HydrophobicContact CE2-CG 3.91Å; Y213-I1024 HydrophobicContact CD2-CB 4.25Å; Y213-I1024 HydrophobicContact CD2-CG2 3.89Å; Y213-P1027 HydrophobicContact CD1-CG 4.25Å; Y213-P1027 HydrophobicContact CD2-CG 4.09Å; Y213-P1027 HydrophobicContact CG-CG 3.72Å
214K77.5Confident79.8Confident132 Ų13283.8 Ų83.857%0.57439%0.387SS*.Hα-helixtrans-65.2-41.1-178.6-170.3176.9-178.2177.70113.4A210 E211 Q217 N218A210-K214 PolarHBondContact O-N 3.32Å; A210-K214 VanDerWaalsContact O-N 3.09Å; E211-K214 PolarHBondContact O-N 3.46Å; K214-Q217 PolarHBondContact O-N 3.38Å; K214-N218 PolarHBondContact O-N 3.26Å
215K82Confident80.3Confident139 Ų13980.4 Ų80.460%0.60437%0.374SS*.Hα-helixtrans-62.6-46.4176.4-77.1-179.5179.91730111.4E211 Q217 N218 E219E211-K215 PolarHBondContact O-N 3.24Å; E211-K215 VanDerWaalsContact O-N 3.16Å; K215-Q217 VanDerWaalsContact C-N 3.33Å; K215-Q217 PolarHBondContact O-N 3.06Å; K215-N218 PolarHBondContact O-N 2.93Å; K215-E219 WeakPolarHBondContact O-CG 3.47Å; K215-E219 PolarHBondContact O-N 3Å; K215-E219 VanDerWaalsContact O-N 3.15Å
216L82.2Confident80.7Confident27 Ų2778.5 Ų78.514%0.14136%0.363CS..Hα-helixtrans-63.3-38.2179.9-169.865.8000112.1R212 Y213 L220 M1017 L1021 I1024R212-L216 WeakPolarHBondContact O-CB 3.4Å; R212-L216 PolarHBondContact O-N 3.42Å; Y213-L216 PolarHBondContact O-N 2.95Å; L216-L220 VanDerWaalsContact O-CB 3.26Å; L216-L220 WeakPolarHBondContact O-CB 3.49Å; L216-L220 PolarHBondContact O-N 3.34Å; L216-M1017 HydrophobicContact CD1-CB 4.19Å; L216-M1017 HydrophobicContact CD1-CE 4.25Å; L216-M1017 HydrophobicContact CD1-CG 4.2Å; L216-L1021 HydrophobicContact CD2-CB 3.85Å; L216-L1021 HydrophobicContact CD2-CD1 4.34Å; L216-L1021 HydrophobicContact CD2-CG 4.31Å; L216-L1021 HydrophobicContact CG-CD1 4.31Å; L216-I1024 HydrophobicContact CD2-CD1 4.28Å
217Q80.3Confident81.2Confident91 Ų9176.8 Ų76.843%0.42536%0.356SS..Hα-helixtrans-62.4-46.3175.7-170.1-179.99.600112.4Y213 K214 K215 L220 T221 L1021Y213-Q217 PolarHBondContact O-N 3.17Å; K214-Q217 PolarHBondContact O-N 3.38Å; K215-Q217 VanDerWaalsContact C-N 3.33Å; K215-Q217 PolarHBondContact O-N 3.06Å; Q217-L220 WeakPolarHBondContact O-CB 3.26Å; Q217-L220 PolarHBondContact O-N 3.38Å; Q217-T221 PolarHBondContact O-N 3.24Å; Q217-T221 VanDerWaalsContact O-N 3.15Å; Q217-T221 PolarHBondContact O-OG1 3.11Å; Q217-L1021 HydrophobicContact CB-CD1 4.27Å
218N82.6Confident81.8Confident93 Ų9376 Ų7650%0.49735%0.351SS..Hα-helixtrans-66.1-39.9-179.8-76-12.1000113.1K214 K215 L220 K222K214-N218 PolarHBondContact O-N 3.26Å; K215-N218 PolarHBondContact O-N 2.93Å; N218-L220 VanDerWaalsContact C-N 3.33Å; N218-K222 PolarHBondContact O-N 2.92Å
219E82.9Confident82.4Confident114 Ų11472.7 Ų72.753%0.53333%0.334SS..Hα-helixtrans-68-36.6176.4-67.4-179.7169.900111.2K215 K222 K223 M1017K215-E219 WeakPolarHBondContact O-CG 3.47Å; K215-E219 PolarHBondContact O-N 3Å; K215-E219 VanDerWaalsContact O-N 3.15Å; E219-K222 PolarHBondContact O-N 2.84Å; E219-K223 PolarHBondContact O-N 3.42Å; E219-K223 VanDerWaalsContact O-N 3.11Å; E219-M1017 VanDerWaalsContact C-CE 3.4Å; E219-M1017 HydrophobicContact CB-CE 3.25Å
220L84.8Confident83.1Confident9 Ų968.1 Ų68.15%0.04731%0.312CS..Hα-helixtrans-60.8-46.5176.9177.667.5000111.4L216 Q217 N218 K222 K223 R224 V1014 M1017 L1018 L1021L216-L220 VanDerWaalsContact O-CB 3.26Å; L216-L220 WeakPolarHBondContact O-CB 3.49Å; L216-L220 PolarHBondContact O-N 3.34Å; Q217-L220 WeakPolarHBondContact O-CB 3.26Å; Q217-L220 PolarHBondContact O-N 3.38Å; N218-L220 VanDerWaalsContact C-N 3.33Å; L220-K222 PolarHBondContact O-N 3.21Å; L220-K223 PolarHBondContact O-N 3.41Å; L220-R224 HydrophobicContact CD1-CG 4.37Å; L220-R224 WeakPolarHBondContact O-CB 3.11Å; L220-R224 VanDerWaalsContact O-CG 3.31Å; L220-R224 WeakPolarHBondContact O-CG 3.48Å; L220-R224 PolarHBondContact O-N 3.44Å; L220-V1014 HydrophobicContact CD1-CG1 3.97Å; L220-M1017 HydrophobicContact CB-CE 4.3Å; L220-M1017 HydrophobicContact CD1-CB 3.91Å; L220-M1017 VanDerWaalsContact N-CE 3.33Å; L220-L1018 HydrophobicContact CD1-CG 4.15Å; L220-L1018 HydrophobicContact CD2-CD2 4.03Å; L220-L1018 HydrophobicContact CD2-CG 4.4Å; L220-L1021 HydrophobicContact CD2-CD1 4.18Å
221T83.9Confident83.6Confident72 Ų7270.1 Ų70.144%0.44232%0.318SS..Hα-helixtrans-59.8-44.1178.1-54.80000112.1Q217 K223 R224 L225 L942Q217-T221 PolarHBondContact O-N 3.24Å; Q217-T221 VanDerWaalsContact O-N 3.15Å; Q217-T221 PolarHBondContact O-OG1 3.11Å; T221-K223 PolarHBondContact O-N 3.22Å; T221-R224 PolarHBondContact O-N 2.99Å; T221-L225 PolarHBondContact O-N 3.04Å; T221-L225 VanDerWaalsContact O-N 3.16Å; T221-L942 HydrophobicContact CG2-CD2 4.38Å
222K85.5Confident84.1Confident164 Ų16464.8 Ų64.871%0.71329%0.293SS*.Hα-helixtrans-62.3-43.2178.1-72.4-177.6179.2-1780112.4N218 E219 L220 L225 E226N218-K222 PolarHBondContact O-N 2.92Å; E219-K222 PolarHBondContact O-N 2.84Å; L220-K222 PolarHBondContact O-N 3.21Å; K222-L225 PolarHBondContact O-N 3.43Å; K222-E226 PolarHBondContact O-N 2.67Å
223K85.5Confident84.7Confident67 Ų6760 Ų6029%0.29128%0.276SS..Hα-helixtrans-70.7-34179.8-74.1-66.6177.5-1720113.2E219 L220 T221 E226 L227 V1014 M1017E219-K223 PolarHBondContact O-N 3.42Å; E219-K223 VanDerWaalsContact O-N 3.11Å; L220-K223 PolarHBondContact O-N 3.41Å; T221-K223 PolarHBondContact O-N 3.22Å; K223-E226 IonicContact NZ-OE2 2.79Å; K223-E226 PolarHBondContact NZ-OE2 3.04Å; K223-L227 WeakPolarHBondContact O-CB 3.39Å; K223-L227 PolarHBondContact O-N 3.42Å; K223-L227 VanDerWaalsContact O-N 3.09Å; K223-V1014 HydrophobicContact CB-CG2 4.1Å; K223-M1017 HydrophobicContact CG-SD 4.36Å
224R86.3Confident85.1Confident53 Ų5358.6 Ų58.620%0.227%0.271CS..Hα-helixtrans-61.9-43.4171.9-77.2174.5173.1-165.1-3.4112.7L220 T221 L227 H228 E940 L942 V1014L220-R224 HydrophobicContact CD1-CG 4.37Å; L220-R224 WeakPolarHBondContact O-CB 3.11Å; L220-R224 VanDerWaalsContact O-CG 3.31Å; L220-R224 WeakPolarHBondContact O-CG 3.48Å; L220-R224 PolarHBondContact O-N 3.44Å; T221-R224 PolarHBondContact O-N 2.99Å; R224-L227 PolarHBondContact O-N 3.42Å; R224-H228 PolarHBondContact O-N 3.42Å; R224-H228 PolarHBondContact O-ND1 3.26Å; R224-E940 WeakPolarHBondContact CD-OE2 3.23Å; R224-E940 IonicContact NE-OE2 3.42Å; R224-L942 HydrophobicContact CB-CD1 4.16Å; R224-L942 HydrophobicContact CB-CD2 4.06Å; R224-V1014 HydrophobicContact CG-CG1 4.06Å; R224-V1014 HydrophobicContact CG-CG2 4.26Å
225L86.2Confident85.6Confident56 Ų5652.5 Ų52.529%0.29324%0.244SC..Hα-helixtrans-63-46.3177.8-176.564000112.1T221 K222 L227 H228 L229 L942 L944T221-L225 PolarHBondContact O-N 3.04Å; T221-L225 VanDerWaalsContact O-N 3.16Å; K222-L225 PolarHBondContact O-N 3.43Å; L225-L227 VanDerWaalsContact C-N 3.32Å; L225-L227 PolarHBondContact O-N 3.05Å; L225-H228 PolarHBondContact O-N 3.06Å; L225-L229 HydrophobicContact CG-CD1 4.46Å; L225-L229 PolarHBondContact O-N 2.97Å; L225-L229 VanDerWaalsContact O-N 3.15Å; L225-L942 HydrophobicContact CB-CD2 4.3Å; L225-L942 HydrophobicContact CD1-CB 4.41Å; L225-L944 HydrophobicContact CD1-CD2 4.38Å
226E87.6Confident85.7Confident51 Ų5147.7 Ų47.724%0.23823%0.225CC..Hα-helixtrans-59.4-42.2177.4-172.4178.9-157.600111.7K222 K223 F230 M1010K222-E226 PolarHBondContact O-N 2.67Å; K223-E226 IonicContact NZ-OE2 2.79Å; K223-E226 PolarHBondContact NZ-OE2 3.04Å; E226-F230 WeakPolarHBondContact O-CB 3.44Å; E226-F230 PolarHBondContact O-N 2.85Å; E226-F230 VanDerWaalsContact O-N 3.11Å; E226-M1010 HydrophobicContact CG-CE 4.04Å; E226-M1010 HydrophobicContact CG-SD 4.44Å
227L86.7Confident85.8Confident4 Ų450.2 Ų50.22%0.02124%0.238CC..Hα-helixtrans-63.9-45.2177.2177.767.4000112.8K223 R224 L225 F230 K231 M1010 V1014K223-L227 WeakPolarHBondContact O-CB 3.39Å; K223-L227 PolarHBondContact O-N 3.42Å; K223-L227 VanDerWaalsContact O-N 3.09Å; R224-L227 PolarHBondContact O-N 3.42Å; L225-L227 VanDerWaalsContact C-N 3.32Å; L225-L227 PolarHBondContact O-N 3.05Å; L227-F230 PolarHBondContact O-N 3.48Å; L227-K231 HydrophobicContact CD1-CD 4.42Å; L227-K231 HydrophobicContact CD1-CG 4.41Å; L227-K231 HydrophobicContact CG-CD 4.47Å; L227-K231 WeakPolarHBondContact O-CG 3.23Å; L227-K231 PolarHBondContact O-N 3.5Å; L227-M1010 HydrophobicContact CB-CB 4.42Å; L227-M1010 HydrophobicContact CD1-CB 3.57Å; L227-V1014 HydrophobicContact CD2-CG2 4.05Å
228H86.2Confident85.9Confident8 Ų847.2 Ų47.24%0.03722%0.224CC..Hα-helixtrans-63.9-44.9179.9-82.380.1000111.8R224 L225 F230 K231 L232 E940 L942R224-H228 PolarHBondContact O-N 3.42Å; R224-H228 PolarHBondContact O-ND1 3.26Å; L225-H228 PolarHBondContact O-N 3.06Å; H228-F230 VanDerWaalsContact C-N 3.29Å; H228-F230 PolarHBondContact O-N 3.42Å; H228-K231 PolarHBondContact O-N 3.04Å; H228-L232 WeakPolarHBondContact O-CB 3.34Å; H228-L232 WeakPolarHBondContact O-CG 2.8Å; H228-L232 PolarHBondContact O-N 2.7Å; H228-L232 VanDerWaalsContact O-N 3.08Å; H228-E940 VanDerWaalsContact CE1-CD 3.45Å; H228-E940 IonicContact CE1-OE1 3.4Å; H228-E940 IonicContact CE1-OE2 2.68Å; H228-E940 PolarHBondContact CE1-OE2 3Å; H228-E940 IonicContact ND1-OE2 3.87Å; H228-L942 HydrophobicContact CB-CD1 4.39Å; H228-L942 VanDerWaalsContact ND1-CD1 3.29Å; H228-L942 WeakPolarHBondContact ND1-CD1 3.1Å
229L87.3Confident86Confident3 Ų343.6 Ų43.62%0.01621%0.205CC..Hα-helixtrans-60.8-38175.9-74.2174.4000112.5L225 Y233 L944 P945 I985 L990L225-L229 HydrophobicContact CG-CD1 4.46Å; L225-L229 PolarHBondContact O-N 2.97Å; L225-L229 VanDerWaalsContact O-N 3.15Å; L229-Y233 PolarHBondContact O-N 3.03Å; L229-L944 HydrophobicContact CD2-CD2 4.39Å; L229-P945 HydrophobicContact CD1-CG 3.9Å; L229-P945 HydrophobicContact CD2-CG 3.97Å; L229-I985 HydrophobicContact CD2-CG2 4.02Å; L229-L990 HydrophobicContact CB-CD1 4.24Å
230F88.6Confident86Confident2 Ų246.4 Ų46.41%0.00921%0.21CC..Hα-helixtrans-65.9-47.8177.3-177.7-91.2000112.5E226 L227 H228 Y233 Y234 L990 L994 M997 V1003 K1006 A1007 M1010E226-F230 WeakPolarHBondContact O-CB 3.44Å; E226-F230 PolarHBondContact O-N 2.85Å; E226-F230 VanDerWaalsContact O-N 3.11Å; L227-F230 PolarHBondContact O-N 3.48Å; H228-F230 VanDerWaalsContact C-N 3.29Å; H228-F230 PolarHBondContact O-N 3.42Å; F230-Y233 PolarHBondContact O-N 3.32Å; F230-Y234 HydrophobicContact CD2-CD2 4.46Å; F230-Y234 HydrophobicContact CD2-CE2 4.15Å; F230-Y234 HydrophobicContact CE1-CD2 4.07Å; F230-Y234 HydrophobicContact CE1-CE2 4.34Å; F230-Y234 HydrophobicContact CE2-CD2 4.01Å; F230-Y234 AromaticContact CE2-CE2 3.5Å; F230-Y234 HydrophobicContact CE2-CE2 3.5Å; F230-Y234 AromaticContact CZ-CD2 3.77Å; F230-Y234 HydrophobicContact CZ-CD2 3.77Å; F230-Y234 AromaticContact CZ-CE2 3.59Å; F230-Y234 HydrophobicContact CZ-CE2 3.59Å; F230-L990 HydrophobicContact CB-CD1 4.16Å; F230-L990 HydrophobicContact CD2-CD2 4.44Å; F230-L994 HydrophobicContact CD2-CB 4.22Å; F230-L994 HydrophobicContact CD2-CD2 4.45Å; F230-L994 HydrophobicContact CE2-CB 4.42Å; F230-L994 HydrophobicContact CE2-CD2 4.43Å; F230-M997 HydrophobicContact CE2-SD 3.85Å; F230-M997 HydrophobicContact CZ-SD 4.12Å; F230-V1003 HydrophobicContact CE1-CG1 4.12Å; F230-V1003 VanDerWaalsContact CE1-O 3.29Å; F230-V1003 WeakPolarHBondContact CE1-O 3.41Å; F230-V1003 HydrophobicContact CZ-CG1 4.07Å; F230-V1003 WeakPolarHBondContact CZ-O 3.37Å; F230-K1006 HydrophobicContact CE1-CB 4.22Å; F230-K1006 HydrophobicContact CE2-CB 4.03Å; F230-K1006 HydrophobicContact CE2-CG 3.84Å; F230-K1006 HydrophobicContact CZ-CB 3.59Å; F230-K1006 HydrophobicContact CZ-CG 3.93Å; F230-A1007 HydrophobicContact CD1-CB 4.08Å; F230-A1007 HydrophobicContact CE1-CB 3.75Å; F230-M1010 HydrophobicContact CB-SD 4.02Å; F230-M1010 HydrophobicContact CD1-SD 4.47Å; F230-M1010 HydrophobicContact CD2-CE 4.34Å; F230-M1010 HydrophobicContact CD2-SD 4.4Å; F230-M1010 HydrophobicContact CG-SD 4.03Å
231K87.3Confident86Confident55 Ų5551.6 Ų51.624%0.23923%0.234CC..Hα-helixtrans-64.6-43.5-179.3-69.7-175.7-174.1175.30112.1L227 H228 Y233 Y234 N235 L933L227-K231 HydrophobicContact CD1-CD 4.42Å; L227-K231 HydrophobicContact CD1-CG 4.41Å; L227-K231 HydrophobicContact CG-CD 4.47Å; L227-K231 WeakPolarHBondContact O-CG 3.23Å; L227-K231 PolarHBondContact O-N 3.5Å; H228-K231 PolarHBondContact O-N 3.04Å; K231-Y233 VanDerWaalsContact C-N 3.31Å; K231-Y233 PolarHBondContact O-N 3.28Å; K231-Y234 PolarHBondContact O-N 3.5Å; K231-N235 WeakPolarHBondContact O-CB 3.29Å; K231-N235 PolarHBondContact O-N 2.79Å; K231-N235 VanDerWaalsContact O-N 3.12Å; K231-L933 HydrophobicContact CB-CD1 3.71Å; K231-L933 HydrophobicContact CB-CD2 3.56Å; K231-L933 HydrophobicContact CB-CG 4.29Å; K231-L933 HydrophobicContact CD-CD2 3.5Å; K231-L933 VanDerWaalsContact CD-CD2 3.5Å; K231-L933 HydrophobicContact CG-CD2 4.17Å
232L87.1Confident85.8Confident2 Ų248.1 Ų48.11%0.0121%0.213CC..Hα-helixtrans-60.5-39.5178.6-75.7165.5000112.1H228 Y234 D236 L933 L934 L944 I985 F987H228-L232 WeakPolarHBondContact O-CB 3.34Å; H228-L232 WeakPolarHBondContact O-CG 2.8Å; H228-L232 PolarHBondContact O-N 2.7Å; H228-L232 VanDerWaalsContact O-N 3.08Å; L232-Y234 PolarHBondContact O-N 3.48Å; L232-D236 PolarHBondContact O-N 3.13Å; L232-L933 HydrophobicContact CD2-CB 3.55Å; L232-L933 HydrophobicContact CD2-CD1 4.07Å; L232-L933 HydrophobicContact CD2-CG 4.47Å; L232-L933 HydrophobicContact CG-CB 3.97Å; L232-L933 HydrophobicContact CG-CD1 4.26Å; L232-L934 HydrophobicContact CD1-CD2 4.16Å; L232-L934 HydrophobicContact CD2-CD2 3.99Å; L232-L934 HydrophobicContact CD2-CG 4.08Å; L232-L944 HydrophobicContact CD1-CD1 4.48Å; L232-I985 HydrophobicContact CD1-CD1 3.99Å; L232-F987 HydrophobicContact CB-CE1 4.04Å; L232-F987 HydrophobicContact CB-CZ 4.35Å
233Y88.5Confident85.6Confident72 Ų7246.6 Ų46.628%0.28220%0.203SC..Hα-helixtrans-63-42.5-178.4-179.5-104.1000113.7L229 F230 K231 F987 R995L229-Y233 PolarHBondContact O-N 3.03Å; F230-Y233 PolarHBondContact O-N 3.32Å; K231-Y233 VanDerWaalsContact C-N 3.31Å; K231-Y233 PolarHBondContact O-N 3.28Å; Y233-F987 HydrophobicContact CD2-CB 4.33Å; Y233-F987 HydrophobicContact CD2-CD1 4.1Å; Y233-F987 HydrophobicContact CD2-CD2 4.13Å; Y233-F987 HydrophobicContact CD2-CE1 4.44Å; Y233-F987 HydrophobicContact CD2-CE2 4.46Å; Y233-F987 AromaticContact CD2-CG 3.93Å; Y233-F987 HydrophobicContact CD2-CG 3.93Å; Y233-F987 HydrophobicContact CG-CD1 4.45Å; Y233-R995 HydrophobicContact CE1-CB 4.2Å; Y233-R995 HydrophobicContact CE1-CG 4.28Å; Y233-R995 HydrophobicContact CE2-CG 4.36Å; Y233-R995 PolarHBondContact OH-O 3.19Å
234Y87.7Confident85.4Confident17 Ų1750 Ų507%0.06722%0.22CC..Hα-helixtrans-86.9-27.9-177.1-75.8-73.7000114.2F230 K231 L232 D236 L237 E238 L994 M997 V1003F230-Y234 HydrophobicContact CD2-CD2 4.46Å; F230-Y234 HydrophobicContact CD2-CE2 4.15Å; F230-Y234 HydrophobicContact CE1-CD2 4.07Å; F230-Y234 HydrophobicContact CE1-CE2 4.34Å; F230-Y234 HydrophobicContact CE2-CD2 4.01Å; F230-Y234 AromaticContact CE2-CE2 3.5Å; F230-Y234 HydrophobicContact CE2-CE2 3.5Å; F230-Y234 AromaticContact CZ-CD2 3.77Å; F230-Y234 HydrophobicContact CZ-CD2 3.77Å; F230-Y234 AromaticContact CZ-CE2 3.59Å; F230-Y234 HydrophobicContact CZ-CE2 3.59Å; K231-Y234 PolarHBondContact O-N 3.5Å; L232-Y234 PolarHBondContact O-N 3.48Å; Y234-D236 VanDerWaalsContact C-N 3.26Å; Y234-D236 PolarHBondContact O-N 2.93Å; Y234-L237 HydrophobicContact CD1-CD2 4.36Å; Y234-L237 WeakPolarHBondContact O-CB 3.43Å; Y234-L237 PolarHBondContact O-N 2.74Å; Y234-L237 VanDerWaalsContact O-N 3.09Å; Y234-E238 PolarHBondContact O-N 2.92Å; Y234-E238 VanDerWaalsContact O-N 3.13Å; Y234-L994 WeakPolarHBondContact CE2-O 3.5Å; Y234-L994 PolarHBondContact OH-O 3.29Å; Y234-M997 HydrophobicContact CE1-CB 4.38Å; Y234-M997 HydrophobicContact CE2-SD 4.44Å; Y234-M997 WeakPolarHBondContact OH-CB 3.39Å; Y234-M997 WeakPolarHBondContact OH-CG 3.3Å; Y234-M997 PolarHBondContact OH-N 3.46Å; Y234-V1003 HydrophobicContact CD1-CB 4.18Å; Y234-V1003 HydrophobicContact CD1-CG1 3.7Å; Y234-V1003 HydrophobicContact CD1-CG2 3.39Å; Y234-V1003 HydrophobicContact CD2-CB 4.34Å; Y234-V1003 HydrophobicContact CD2-CG1 3.41Å; Y234-V1003 VanDerWaalsContact CD2-CG1 3.41Å; Y234-V1003 HydrophobicContact CD2-CG2 4.07Å; Y234-V1003 HydrophobicContact CE1-CB 4.35Å; Y234-V1003 HydrophobicContact CE1-CG1 4.26Å; Y234-V1003 HydrophobicContact CE1-CG2 3.19Å; Y234-V1003 HydrophobicContact CE2-CB 4.48Å; Y234-V1003 HydrophobicContact CE2-CG1 3.99Å; Y234-V1003 HydrophobicContact CE2-CG2 3.89Å; Y234-V1003 HydrophobicContact CG-CB 4.19Å; Y234-V1003 HydrophobicContact CG-CG1 3.25Å; Y234-V1003 HydrophobicContact CG-CG2 3.84Å; Y234-V1003 VanDerWaalsContact CZ-CG2 3.49Å
235N87.7Confident85Confident4 Ų450.3 Ų50.32%0.02122%0.223CC..Hα-helixtrans-58.6-42.5170.3178.9-86.8000111.2K231 L237 E238 I239 R926 E929 R930 L933K231-N235 WeakPolarHBondContact O-CB 3.29Å; K231-N235 PolarHBondContact O-N 2.79Å; K231-N235 VanDerWaalsContact O-N 3.12Å; N235-L237 PolarHBondContact O-N 2.89Å; N235-L237 VanDerWaalsContact O-N 3.15Å; N235-E238 PolarHBondContact O-N 2.74Å; N235-E238 VanDerWaalsContact O-N 3.14Å; N235-I239 WeakPolarHBondContact O-CG1 3.1Å; N235-I239 PolarHBondContact O-N 3.29Å; N235-I239 VanDerWaalsContact O-N 3.11Å; N235-I239 WeakPolarHBondContact OD1-CD1 3.3Å; N235-R926 PolarHBondContact ND2-O 3.48Å; N235-R926 PolarHBondContact OD1-O 2.9Å; N235-E929 WeakPolarHBondContact ND2-CB 3.37Å; N235-E929 WeakPolarHBondContact ND2-CG 3.16Å; N235-E929 PolarHBondContact ND2-OE2 3.31Å; N235-R930 WeakPolarHBondContact OD1-CB 3.42Å; N235-L933 HydrophobicContact CB-CD1 4.32Å
236D84.9Confident84.7Confident38 Ų3849.2 Ų49.220%0.20322%0.218CC..Hα-helixtrans-61.8-20.4175.3-83.722.3000114.3L232 Y234 R240 R930L232-D236 PolarHBondContact O-N 3.13Å; Y234-D236 VanDerWaalsContact C-N 3.26Å; Y234-D236 PolarHBondContact O-N 2.93Å; D236-R240 PolarHBondContact O-NE 3.37Å; D236-R240 PolarHBondContact O-NH2 2.86Å; D236-R240 VanDerWaalsContact O-NH2 3.14Å; D236-R930 IonicContact OD1-CZ 2.68Å; D236-R930 IonicContact OD1-NE 3.95Å; D236-R930 IonicContact OD1-NH1 2.69Å; D236-R930 PolarHBondContact OD1-NH1 3.47Å; D236-R930 IonicContact OD2-CZ 3.62Å; D236-R930 IonicContact OD2-NH1 2.64Å; D236-R930 PolarHBondContact OD2-NH1 3.08Å; D236-R930 IonicContact OD2-NH2 3.55Å
237L85.1Confident84.2Confident80 Ų8054.9 Ų54.942%0.41924%0.242SC..Hα-helixtrans-84.7-42.2174.6-162.178.4000111.3Y234 N235 R240Y234-L237 HydrophobicContact CD1-CD2 4.36Å; Y234-L237 WeakPolarHBondContact O-CB 3.43Å; Y234-L237 PolarHBondContact O-N 2.74Å; Y234-L237 VanDerWaalsContact O-N 3.09Å; N235-L237 PolarHBondContact O-N 2.89Å; N235-L237 VanDerWaalsContact O-N 3.15Å; L237-R240 WeakPolarHBondContact O-CB 3.5Å; L237-R240 PolarHBondContact O-N 3.33Å
238E82.1Confident83.8Confident28 Ų2861.9 Ų61.913%0.13127%0.274CS..Hα-helixtrans-69.5-41.4-176.9-82.9-73.8125.800113.8Y234 N235 R240 H241 V242 R926Y234-E238 PolarHBondContact O-N 2.92Å; Y234-E238 VanDerWaalsContact O-N 3.13Å; N235-E238 PolarHBondContact O-N 2.74Å; N235-E238 VanDerWaalsContact O-N 3.14Å; E238-R240 PolarHBondContact O-N 2.96Å; E238-H241 PolarHBondContact O-N 3.29Å; E238-V242 WeakPolarHBondContact O-CG2 3.37Å; E238-V242 PolarHBondContact O-N 3.23Å; E238-R926 HydrophobicContact CB-CG 4.1Å; E238-R926 IonicContact OE2-CZ 3.96Å; E238-R926 IonicContact OE2-NE 2.82Å; E238-R926 PolarHBondContact OE2-NE 2.95Å; E238-R926 IonicContact OE2-NH2 2.84Å; E238-R926 PolarHBondContact OE2-NH2 3.46Å
239I84.4Confident83.3Confident17 Ų1764.2 Ų64.29%0.08728%0.283CS..Hα-helixtrans-50.8-36175.8-68.2174.3000110.9N235 L923 R926 R927 R930N235-I239 WeakPolarHBondContact O-CG1 3.1Å; N235-I239 PolarHBondContact O-N 3.29Å; N235-I239 VanDerWaalsContact O-N 3.11Å; N235-I239 WeakPolarHBondContact OD1-CD1 3.3Å; I239-L923 HydrophobicContact CG2-CD1 4.39Å; I239-R926 HydrophobicContact CB-CB 4.45Å; I239-R926 HydrophobicContact CD1-CB 4.37Å; I239-R926 HydrophobicContact CG1-CB 3.41Å; I239-R926 VanDerWaalsContact CG1-CB 3.41Å; I239-R927 HydrophobicContact CD1-CG 4.43Å; I239-R930 HydrophobicContact CD1-CB 4.44Å
240R83.3Confident82.8Confident172 Ų17268.9 Ų68.965%0.64930%0.304SS*.Hα-helixtrans-70.7-27.2179.9-71.9-179.4-87.7150.6-8.1113.7D236 L237 E238D236-R240 PolarHBondContact O-NE 3.37Å; D236-R240 PolarHBondContact O-NH2 2.86Å; D236-R240 VanDerWaalsContact O-NH2 3.14Å; L237-R240 WeakPolarHBondContact O-CB 3.5Å; L237-R240 PolarHBondContact O-N 3.33Å; E238-R240 PolarHBondContact O-N 2.96Å
241H83.3Confident82.1Confident118 Ų11877.5 Ų77.555%0.54634%0.344SS..Hα-helixtrans-86.1-38.7-176.1-174.134.4000113.5E238 R243 E244E238-H241 PolarHBondContact O-N 3.29Å; H241-R243 PolarHBondContact O-N 3Å; H241-E244 PolarHBondContact O-N 3.27Å
242V80.4Confident81.6Confident0 Ų077.2 Ų77.20%035%0.353CS..Hα-helixtrans-71.3-32.5-170.5-175.70000113.7E238 E244 E245 A919 K922 L923E238-V242 WeakPolarHBondContact O-CG2 3.37Å; E238-V242 PolarHBondContact O-N 3.23Å; V242-E244 PolarHBondContact O-N 3.33Å; V242-E245 PolarHBondContact O-N 3.32Å; V242-E245 VanDerWaalsContact O-N 3.08Å; V242-A919 WeakPolarHBondContact CG1-O 3.37Å; V242-K922 HydrophobicContact CB-CD 4.29Å; V242-K922 HydrophobicContact CB-CG 4.25Å; V242-K922 HydrophobicContact CG1-CB 3.54Å; V242-K922 HydrophobicContact CG1-CD 3.83Å; V242-K922 HydrophobicContact CG1-CG 3.7Å; V242-K922 HydrophobicContact CG2-CB 4.29Å; V242-K922 HydrophobicContact CG2-CD 3.49Å; V242-K922 VanDerWaalsContact CG2-CD 3.49Å; V242-K922 VanDerWaalsContact CG2-CE 3.47Å; V242-K922 HydrophobicContact CG2-CG 3.48Å; V242-K922 VanDerWaalsContact CG2-CG 3.48Å; V242-L923 HydrophobicContact CB-CB 4.49Å; V242-L923 HydrophobicContact CG1-CB 3.92Å; V242-L923 VanDerWaalsContact CG1-N 3.3Å
243R81.5Confident81.1Confident132 Ų13277.9 Ų77.950%0.49836%0.357SS..Hα-helixtrans-54.3-25.6176.7-70.6-172.8178164.45.9112.6H241 L923H241-R243 PolarHBondContact O-N 3Å; R243-L923 HydrophobicContact CG-CD1 3.41Å; R243-L923 VanDerWaalsContact CG-CD1 3.41Å; R243-L923 HydrophobicContact CG-CD2 3.88Å; R243-L923 HydrophobicContact CG-CG 4.26Å
244E80.9Confident80.4Confident139 Ų13978.7 Ų78.765%0.6538%0.378SS*.Hα-helixtrans-85.6-25.3-179.2-164.460.8-153.100113.8H241 V242H241-E244 PolarHBondContact O-N 3.27Å; V242-E244 PolarHBondContact O-N 3.33Å
245E78.1Confident79.9Confident58 Ų5882 Ų8227%0.27141%0.41SS..Hα-helixtrans-82.7-31.9-172.1-173.4179.3176.100114V242 K247 Q248 R249 A919 K922V242-E245 PolarHBondContact O-N 3.32Å; V242-E245 VanDerWaalsContact O-N 3.08Å; E245-K247 VanDerWaalsContact C-N 3.33Å; E245-K247 PolarHBondContact O-N 3.34Å; E245-Q248 PolarHBondContact O-N 3.18Å; E245-R249 IonicContact OE1-CZ 2.68Å; E245-R249 IonicContact OE1-NH1 3.31Å; E245-R249 PolarHBondContact OE1-NH1 2.98Å; E245-A919 HydrophobicContact CB-CB 4.24Å; E245-A919 HydrophobicContact CG-CB 4.11Å; E245-K922 IonicContact OE2-NZ 3.32Å; E245-K922 PolarHBondContact OE2-NZ 3.04Å
246L79.7Confident79.5Confident33 Ų3384.2 Ų84.217%0.17342%0.42CS..G310 helixtrans-60.7-39.8-172.6-167168.2000113.9Q248 A919 E920 L923L246-Q248 PolarHBondContact O-N 3.12Å; L246-A919 HydrophobicContact CB-CB 3.69Å; L246-A919 HydrophobicContact CG-CB 4.14Å; L246-E920 HydrophobicContact CD1-CB 4.05Å; L246-E920 HydrophobicContact CD1-CG 3.6Å; L246-E920 HydrophobicContact CD2-CG 3.52Å; L246-E920 HydrophobicContact CG-CB 4.18Å; L246-E920 HydrophobicContact CG-CG 3.4Å; L246-L923 HydrophobicContact CD1-CD2 4.41Å
247K76.8Confident79.1Confident171 Ų17186 Ų8674%0.74343%0.427SS*.G310 helixtrans-59.9-14-177-168.3177.6174.6-174.90114.9E245E245-K247 VanDerWaalsContact C-N 3.33Å; E245-K247 PolarHBondContact O-N 3.34Å
248Q78.4Confident78.6Confident151 Ų15190.5 Ų90.571%0.70645%0.445SS*.G310 helixtrans-104.6-12.4-169.9-67.1-1771.600116.3E245 L246E245-Q248 PolarHBondContact O-N 3.18Å; L246-Q248 PolarHBondContact O-N 3.12Å
249R77Confident78.4Confident57 Ų5794.9 Ų94.922%0.21547%0.466CS..THydrogen-bonded Turntrans-111.4-10.3-165.1-75.9157.7125.2173.612.5115.7E245 E251 D915 L916E245-R249 IonicContact OE1-CZ 2.68Å; E245-R249 IonicContact OE1-NH1 3.31Å; E245-R249 PolarHBondContact OE1-NH1 2.98Å; R249-E251 PolarHBondContact O-N 3.46Å; R249-D915 HydrophobicContact CB-CB 4.05Å; R249-D915 VanDerWaalsContact CD-C 3.47Å; R249-D915 WeakPolarHBondContact CD-O 3.45Å; R249-D915 HydrophobicContact CG-CB 3.83Å; R249-D915 VanDerWaalsContact CZ-CG 3.46Å; R249-D915 IonicContact CZ-OD1 3.28Å; R249-D915 IonicContact CZ-OD2 3.92Å; R249-D915 PolarHBondContact NE-O 3.41Å; R249-D915 IonicContact NE-OD1 3.92Å; R249-D915 IonicContact NE-OD2 2.78Å; R249-D915 PolarHBondContact NE-OD2 3.31Å; R249-D915 PolarHBondContact NH1-O 2.68Å; R249-D915 VanDerWaalsContact NH2-CG 3.27Å; R249-D915 IonicContact NH2-OD1 2.94Å; R249-D915 PolarHBondContact NH2-OD1 2.97Å; R249-D915 IonicContact NH2-OD2 3.73Å; R249-D915 PolarHBondContact NH2-OD2 3.04Å; R249-L916 HydrophobicContact CB-CB 4.07Å
250E75.8Confident78.3Confident100 Ų10097 Ų9747%0.46747%0.473SS..G310 helixtrans-54.2-36.2176.5-117.9141.4-136.300112.6A252 L916E250-A252 PolarHBondContact O-N 3.13Å; E250-L916 HydrophobicContact CB-CD1 3.77Å; E250-L916 HydrophobicContact CB-CD2 4.35Å; E250-L916 HydrophobicContact CG-CD1 3.33Å; E250-L916 HydrophobicContact CG-CD2 3.7Å; E250-L916 HydrophobicContact CG-CG 4.05Å; E250-L916 WeakPolarHBondContact OE1-CD1 3.42Å
251E75Confident78.1Confident183 Ų18395.6 Ų95.686%0.85547%0.474SS*.G310 helixtrans-77-16.1-167-62.3179.1160.400115.5R249R249-E251 PolarHBondContact O-N 3.46Å
252A76.8Confident78Confident50 Ų5096.1 Ų96.141%0.41349%0.485SS..G310 helixtrans-99.7-15-166.300000115.9E250 A254 L912E250-A252 PolarHBondContact O-N 3.13Å; A252-A254 PolarHBondContact O-N 3.32Å; A252-L912 HydrophobicContact CB-CB 4.09Å; A252-L912 HydrophobicContact CB-CD1 4.45Å; A252-L912 HydrophobicContact CB-CD2 3.66Å; A252-L912 HydrophobicContact CB-CG 4.23Å; A252-L912 WeakPolarHBondContact O-CD1 3.25Å
253V74.9Confident78.1Confident15 Ų1597.4 Ų97.49%0.09149%0.491CS..G310 helixtrans-66.8-37.8-168.6178.90000115.8A255 L912 Q913V253-A255 VanDerWaalsContact C-N 3.35Å; V253-A255 PolarHBondContact O-N 3.47Å; V253-L912 HydrophobicContact CG2-CB 4.31Å; V253-L912 WeakPolarHBondContact CG2-O 3.42Å; V253-Q913 HydrophobicContact CB-CB 4.43Å; V253-Q913 HydrophobicContact CB-CG 4.42Å; V253-Q913 HydrophobicContact CG1-CB 3.59Å; V253-Q913 HydrophobicContact CG1-CG 3.29Å; V253-Q913 HydrophobicContact CG2-CB 4.16Å; V253-Q913 HydrophobicContact CG2-CG 4.32Å
254A75.1Confident78Confident89 Ų8994.7 Ų94.774%0.73648%0.484SS*.G310 helixtrans-70.5-22.9-15700000115.1A252A252-A254 PolarHBondContact O-N 3.32Å
255A77.6Confident78Confident88 Ų8893.9 Ų93.973%0.72748%0.481SS*.G310 helixtrans-82.8-27.3-16700000116.2V253V253-A255 VanDerWaalsContact C-N 3.35Å; V253-A255 PolarHBondContact O-N 3.47Å
256E78.2Confident78.3Confident50 Ų5095.3 Ų95.323%0.23449%0.487CS..SBendtrans-86.6-12.3-170.3-76.7-73.8165.500113.9E258 K905 D908 I909 L912E256-E258 VanDerWaalsContact C-N 3.32Å; E256-E258 PolarHBondContact O-N 2.93Å; E256-K905 IonicContact OE2-NZ 2.82Å; E256-K905 PolarHBondContact OE2-NZ 3.43Å; E256-D908 HydrophobicContact CB-CB 4.42Å; E256-D908 HydrophobicContact CG-CB 3.79Å; E256-D908 WeakPolarHBondContact OE2-CB 3.34Å; E256-I909 HydrophobicContact CB-CB 4Å; E256-I909 HydrophobicContact CB-CG1 3.29Å; E256-I909 WeakPolarHBondContact O-CD1 3.38Å; E256-I909 WeakPolarHBondContact O-CG1 2.98Å; E256-L912 HydrophobicContact CG-CD1 4.2Å
257H76.6Confident78.5Confident75 Ų7594.3 Ų94.335%0.34748%0.482SS..G310 helixtrans-65.1-26.7-167-114.9-59.6000115.3I909 Q913H257-I909 VanDerWaalsContact CA-CD1 3.5Å; H257-I909 HydrophobicContact CB-CD1 4.43Å; H257-Q913 PolarHBondContact NE2-NE2 3.05Å; H257-Q913 PolarHBondContact NE2-OE1 3.15Å
258E75Confident78.7Confident174 Ų17491.4 Ų91.481%0.81347%0.469SS*.G310 helixtrans-79.7-32.3-168.1-165.9155.9-178.100114.3E256 R260E256-E258 VanDerWaalsContact C-N 3.32Å; E256-E258 PolarHBondContact O-N 2.93Å; E258-R260 VanDerWaalsContact C-N 3.27Å; E258-R260 PolarHBondContact O-N 3.48Å
259Q77.7Confident79Confident121 Ų12191.2 Ų91.257%0.56547%0.468SS*.G310 helixtrans-78.8-7.2-175.1-68.9-179.511.300114.3K905Q259-K905 HydrophobicContact CB-CD 3.67Å; Q259-K905 HydrophobicContact CB-CG 4.45Å
260R81.3Confident79.3Confident61 Ų6191.4 Ų91.423%0.2347%0.471CS..G310 helixtrans-76.7-35.2-175.5-172.7-172.679.7166.67.9114.3E258 V262 I263 E264 L902 I909E258-R260 VanDerWaalsContact C-N 3.27Å; E258-R260 PolarHBondContact O-N 3.48Å; R260-V262 PolarHBondContact O-N 3.14Å; R260-I263 PolarHBondContact O-N 3.21Å; R260-E264 IonicContact CZ-OE1 3.28Å; R260-E264 IonicContact NE-OE1 3.98Å; R260-E264 PolarHBondContact NE-OE1 3.05Å; R260-E264 VanDerWaalsContact NE-OE1 3.14Å; R260-E264 IonicContact NH2-OE1 3.46Å; R260-E264 PolarHBondContact NH2-OE1 3.44Å; R260-L902 HydrophobicContact CG-CD1 3.84Å; R260-I909 HydrophobicContact CB-CD1 4.08Å
261Q79.1Confident79.6Confident143 Ų14393.1 Ų93.167%0.66847%0.473SS*.Hα-helixtrans-63.2-37.6-165.2-79.9-176-14.800115I263 E264Q261-I263 VanDerWaalsContact C-N 3.29Å; Q261-I263 PolarHBondContact O-N 3.38Å; Q261-E264 PolarHBondContact O-N 3.1Å
262V81.7Confident80Confident129 Ų12993.2 Ų93.278%0.78247%0.466SS*.Hα-helixtrans-62.8-34.6-174.81760000112.9R260 E264R260-V262 PolarHBondContact O-N 3.14Å; V262-E264 VanDerWaalsContact C-N 3.29Å; V262-E264 PolarHBondContact O-N 2.75Å
263I82.8Confident80.5Confident26 Ų2695.3 Ų95.313%0.13347%0.467CS..Hα-helixtrans-77.3-18.6-176.1-52.9166.6000111.2R260 Q261 I898 R901 L902 K905R260-I263 PolarHBondContact O-N 3.21Å; Q261-I263 VanDerWaalsContact C-N 3.29Å; Q261-I263 PolarHBondContact O-N 3.38Å; I263-I898 HydrophobicContact CG2-CG2 4.39Å; I263-R901 HydrophobicContact CD1-CB 4.13Å; I263-R901 HydrophobicContact CG2-CB 3.92Å; I263-L902 HydrophobicContact CB-CB 4.35Å; I263-L902 HydrophobicContact CB-CD1 3.93Å; I263-L902 HydrophobicContact CG2-CB 3.7Å; I263-L902 HydrophobicContact CG2-CD1 4.19Å; I263-K905 HydrophobicContact CD1-CG 4.37Å
264E79.6Confident81Confident75 Ų7595.8 Ų95.835%0.3547%0.469SS..Hα-helixtrans-71.6-31.7-176.6-68.2-178.815400113.6R260 Q261 V262 L902R260-E264 IonicContact CZ-OE1 3.28Å; R260-E264 IonicContact NE-OE1 3.98Å; R260-E264 PolarHBondContact NE-OE1 3.05Å; R260-E264 VanDerWaalsContact NE-OE1 3.14Å; R260-E264 IonicContact NH2-OE1 3.46Å; R260-E264 PolarHBondContact NH2-OE1 3.44Å; Q261-E264 PolarHBondContact O-N 3.1Å; V262-E264 VanDerWaalsContact C-N 3.29Å; V262-E264 PolarHBondContact O-N 2.75Å; E264-L902 HydrophobicContact CG-CD1 3.57Å; E264-L902 HydrophobicContact CG-CD2 4.3Å
265E80.5Confident81.4Confident123 Ų12392.7 Ų92.758%0.57545%0.445SS*.Hα-helixtrans-74.8-40.9-177.7-80-63.7152.300113.4M267 K268E265-M267 PolarHBondContact O-N 3.28Å; E265-K268 VanDerWaalsContact O-CB 3.26Å; E265-K268 WeakPolarHBondContact O-CB 3.49Å; E265-K268 PolarHBondContact O-N 3.38Å; E265-K268 IonicContact OE1-NZ 3.39Å; E265-K268 PolarHBondContact OE1-NZ 3.03Å; E265-K268 WeakPolarHBondContact OE2-CD 3.24Å; E265-K268 IonicContact OE2-NZ 3.08Å
266E85.2Confident81.8Confident88 Ų8895.1 Ų95.141%0.41144%0.44SS..Hα-helixtrans-59.2-36.2176-165.2-173.8160.800111.5K268 I898 R901E266-K268 VanDerWaalsContact C-N 3.27Å; E266-K268 PolarHBondContact O-N 2.92Å; E266-I898 HydrophobicContact CB-CG2 4.35Å; E266-I898 HydrophobicContact CG-CD1 3.98Å; E266-I898 HydrophobicContact CG-CG1 4.4Å; E266-R901 IonicContact OE1-CZ 2.8Å; E266-R901 IonicContact OE1-NH1 3.5Å; E266-R901 IonicContact OE1-NH2 2.67Å; E266-R901 PolarHBondContact OE1-NH2 2.63Å; E266-R901 IonicContact OE2-CZ 3.25Å; E266-R901 VanDerWaalsContact OE2-CZ 3.29Å; E266-R901 IonicContact OE2-NH1 2.74Å; E266-R901 PolarHBondContact OE2-NH1 2.76Å; E266-R901 IonicContact OE2-NH2 2.79Å; E266-R901 PolarHBondContact OE2-NH2 2.75Å
267M82.6Confident82.2Confident11 Ų1194 Ų945%0.05444%0.435CS..Hα-helixtrans-65.7-27.7177.5-175.1179.5-73.800112.9E265 R271 L895 I898 R899 L902E265-M267 PolarHBondContact O-N 3.28Å; M267-R271 HydrophobicContact CG-CG 4.38Å; M267-R271 WeakPolarHBondContact O-CB 3.23Å; M267-R271 VanDerWaalsContact O-CG 3.24Å; M267-R271 WeakPolarHBondContact O-CG 3.18Å; M267-R271 PolarHBondContact O-N 3.45Å; M267-R271 PolarHBondContact SD-NE 3.38Å; M267-R271 PolarHBondContact SD-NH2 3.34Å; M267-L895 HydrophobicContact CG-CD2 4.27Å; M267-I898 HydrophobicContact CB-CG2 3.92Å; M267-I898 HydrophobicContact CE-CG2 4.44Å; M267-R899 HydrophobicContact CE-CB 3.83Å; M267-R899 HydrophobicContact CE-CG 4.17Å; M267-L902 HydrophobicContact CE-CB 4.12Å; M267-L902 HydrophobicContact CE-CD2 3.52Å; M267-L902 HydrophobicContact CE-CG 4.48Å; M267-L902 HydrophobicContact SD-CD2 3.96Å
268K82.6Confident82.5Confident110 Ų11093.9 Ų93.948%0.47844%0.437SS..Hα-helixtrans-72.5-33.6-172-167.5178178.6-179.30113E265 E266E265-K268 VanDerWaalsContact O-CB 3.26Å; E265-K268 WeakPolarHBondContact O-CB 3.49Å; E265-K268 PolarHBondContact O-N 3.38Å; E265-K268 IonicContact OE1-NZ 3.39Å; E265-K268 PolarHBondContact OE1-NZ 3.03Å; E265-K268 WeakPolarHBondContact OE2-CD 3.24Å; E265-K268 IonicContact OE2-NZ 3.08Å; E266-K268 VanDerWaalsContact C-N 3.27Å; E266-K268 PolarHBondContact O-N 2.92Å
269E83.4Confident83Confident147 Ų14794.3 Ų94.369%0.68743%0.431SS*.Hα-helixtrans-71.9-52.4-178.3-172.3168.7-16400112R271 R272E269-R271 VanDerWaalsContact C-N 3.27Å; E269-R271 PolarHBondContact O-N 3.08Å; E269-R272 WeakPolarHBondContact O-CB 2.97Å; E269-R272 PolarHBondContact O-N 3.37Å
270K84.2Confident83.4Confident62 Ų6292.7 Ų92.727%0.2743%0.426SS..Hα-helixtrans-61.8-32.8177.5-68.9-70.3178.5175.60113.1R272 E273 L274 L891 E894 L895 I898K270-R272 VanDerWaalsContact C-N 3.26Å; K270-R272 PolarHBondContact O-N 3.33Å; K270-E273 IonicContact NZ-OE2 2.96Å; K270-E273 PolarHBondContact O-N 3.48Å; K270-L274 PolarHBondContact O-N 2.95Å; K270-L891 HydrophobicContact CD-CD2 4.28Å; K270-E894 WeakPolarHBondContact CD-OE2 3.45Å; K270-E894 WeakPolarHBondContact CE-OE2 3.44Å; K270-E894 IonicContact NZ-OE2 2.77Å; K270-E894 PolarHBondContact NZ-OE2 3.49Å; K270-L895 HydrophobicContact CB-CD2 3.75Å; K270-L895 HydrophobicContact CB-CG 3.93Å; K270-I898 HydrophobicContact CG-CD1 4.26Å
271R81.2Confident83.6Confident135 Ų13591.2 Ų91.251%0.50942%0.422SS..Hα-helixtrans-60.3-31171.7-81.7179.4-179.7-131.59.8113.4M267 E269 G275 L895M267-R271 HydrophobicContact CG-CG 4.38Å; M267-R271 WeakPolarHBondContact O-CB 3.23Å; M267-R271 VanDerWaalsContact O-CG 3.24Å; M267-R271 WeakPolarHBondContact O-CG 3.18Å; M267-R271 PolarHBondContact O-N 3.45Å; M267-R271 PolarHBondContact SD-NE 3.38Å; M267-R271 PolarHBondContact SD-NH2 3.34Å; E269-R271 VanDerWaalsContact C-N 3.27Å; E269-R271 PolarHBondContact O-N 3.08Å; R271-G275 PolarHBondContact O-N 3.32Å; R271-L895 HydrophobicContact CG-CD2 4.06Å
272R84.7Confident83.8Confident186 Ų18687.1 Ų87.170%0.70241%0.409SS*.Hα-helixtrans-70.4-38.3178.3-78.8179.5168.8170.3-2.7112.5E269 K270 G275 K276E269-R272 WeakPolarHBondContact O-CB 2.97Å; E269-R272 PolarHBondContact O-N 3.37Å; K270-R272 VanDerWaalsContact C-N 3.26Å; K270-R272 PolarHBondContact O-N 3.33Å; R272-G275 PolarHBondContact O-N 3.38Å; R272-K276 PolarHBondContact O-N 3.5Å
273E85.9Confident84.1Confident93 Ų9383.9 Ų83.944%0.43539%0.392SS..Hα-helixtrans-68.7-48.6177.9-66.7-174.9153.200111.5K270 G275 K276 I277 L891K270-E273 IonicContact NZ-OE2 2.96Å; K270-E273 PolarHBondContact O-N 3.48Å; E273-G275 PolarHBondContact O-N 3.07Å; E273-K276 WeakPolarHBondContact O-CB 3.15Å; E273-K276 PolarHBondContact O-N 2.99Å; E273-I277 PolarHBondContact O-N 3.07Å; E273-L891 HydrophobicContact CB-CD1 4.35Å; E273-L891 HydrophobicContact CB-CD2 4.49Å
274L85.9Confident84.4Confident26 Ų2683.2 Ų83.214%0.13639%0.389CS..Hα-helixtrans-57.2-38.6174.3-173.870.4000111.3K270 K276 I277 N278 A888 L891 L895K270-L274 PolarHBondContact O-N 2.95Å; L274-K276 VanDerWaalsContact C-N 3.26Å; L274-K276 PolarHBondContact O-N 3.24Å; L274-I277 PolarHBondContact O-N 3.44Å; L274-N278 WeakPolarHBondContact O-CB 2.93Å; L274-N278 PolarHBondContact O-N 3.48Å; L274-A888 HydrophobicContact CD1-CB 4.24Å; L274-L891 HydrophobicContact CD1-CB 4.31Å; L274-L895 HydrophobicContact CB-CD1 4.21Å; L274-L895 HydrophobicContact CD2-CD1 3.61Å; L274-L895 HydrophobicContact CG-CD1 4.47Å
275G83.1Confident84.6Confident24 Ų2483.3 Ų83.325%0.24739%0.389CS..Hα-helixtrans-62.1-25.6176.200000114.7R271 R272 E273 R279R271-G275 PolarHBondContact O-N 3.32Å; R272-G275 PolarHBondContact O-N 3.38Å; E273-G275 PolarHBondContact O-N 3.07Å; G275-R279 WeakPolarHBondContact O-CD 3.4Å; G275-R279 WeakPolarHBondContact O-CG 3.33Å; G275-R279 PolarHBondContact O-NE 2.94Å
276K86.7Confident84.9Confident139 Ų13982.6 Ų82.660%0.60439%0.386SS*.Hα-helixtrans-78.3-48.9174.4-69.3177.2-179.3177.20111R272 E273 L274 N278 R279 D280R272-K276 PolarHBondContact O-N 3.5Å; E273-K276 WeakPolarHBondContact O-CB 3.15Å; E273-K276 PolarHBondContact O-N 2.99Å; L274-K276 VanDerWaalsContact C-N 3.26Å; L274-K276 PolarHBondContact O-N 3.24Å; K276-N278 VanDerWaalsContact C-N 3.32Å; K276-N278 PolarHBondContact O-N 2.89Å; K276-R279 WeakPolarHBondContact O-CB 3.36Å; K276-R279 PolarHBondContact O-N 2.94Å; K276-R279 VanDerWaalsContact O-N 3.08Å; K276-D280 PolarHBondContact O-N 3.27Å; K276-D280 VanDerWaalsContact O-N 3.13Å
277I87.2Confident85Confident26 Ų2682.8 Ų82.813%0.13339%0.387CS..Hα-helixtrans-60.4-42.3180-68164.9000111.2E273 L274 R279 D280 Q281 L884 R887 A888 L891E273-I277 PolarHBondContact O-N 3.07Å; L274-I277 PolarHBondContact O-N 3.44Å; I277-R279 VanDerWaalsContact C-N 3.3Å; I277-R279 PolarHBondContact O-N 2.9Å; I277-D280 PolarHBondContact O-N 3.37Å; I277-Q281 WeakPolarHBondContact O-CB 3.4Å; I277-Q281 PolarHBondContact O-N 3.24Å; I277-L884 HydrophobicContact CG2-CB 4.47Å; I277-L884 HydrophobicContact CG2-CD2 4.46Å; I277-R887 HydrophobicContact CD1-CB 4.31Å; I277-A888 HydrophobicContact CG2-CB 4.02Å; I277-L891 HydrophobicContact CD1-CD1 3.38Å
278N82.7Confident85.2Confident73 Ų7383.4 Ų83.439%0.3939%0.39SS..Hα-helixtrans-64.7-31.3177.3-75.2-14.6000113.2L274 K276 S282L274-N278 WeakPolarHBondContact O-CB 2.93Å; L274-N278 PolarHBondContact O-N 3.48Å; K276-N278 VanDerWaalsContact C-N 3.32Å; K276-N278 PolarHBondContact O-N 2.89Å; N278-S282 VanDerWaalsContact O-CB 3.29Å; N278-S282 WeakPolarHBondContact O-CB 3.47Å; N278-S282 PolarHBondContact O-N 3.27Å
279R85.3Confident85.3Confident183 Ų18384.6 Ų84.669%0.69140%0.395SS*.Hα-helixtrans-69.1-43.6174.4-72.6170.5-161.7179.53.5111G275 K276 I277 S282 S283G275-R279 WeakPolarHBondContact O-CD 3.4Å; G275-R279 WeakPolarHBondContact O-CG 3.33Å; G275-R279 PolarHBondContact O-NE 2.94Å; K276-R279 WeakPolarHBondContact O-CB 3.36Å; K276-R279 PolarHBondContact O-N 2.94Å; K276-R279 VanDerWaalsContact O-N 3.08Å; I277-R279 VanDerWaalsContact C-N 3.3Å; I277-R279 PolarHBondContact O-N 2.9Å; R279-S282 PolarHBondContact O-N 3.09Å; R279-S283 PolarHBondContact O-N 3.09Å
280D86.5Confident85.5Confident87 Ų8783.4 Ų83.447%0.46539%0.388SS..Hα-helixtrans-64.5-44.2178-64.2-16.5000110.6K276 I277 S282 S283 L284 L884K276-D280 PolarHBondContact O-N 3.27Å; K276-D280 VanDerWaalsContact O-N 3.13Å; I277-D280 PolarHBondContact O-N 3.37Å; D280-S282 PolarHBondContact O-N 3.12Å; D280-S283 PolarHBondContact O-N 2.79Å; D280-S283 PolarHBondContact O-OG 2.77Å; D280-L284 PolarHBondContact O-N 3.42Å; D280-L284 VanDerWaalsContact O-N 3.11Å; D280-L884 HydrophobicContact CB-CD1 3.9Å
281Q84.9Confident85.6Confident30 Ų3080.7 Ų80.714%0.1438%0.377CS..Hα-helixtrans-58.6-48.1174.1-175.9-175.2-19.100111.6I277 S283 L284 E285 V881 L884I277-Q281 WeakPolarHBondContact O-CB 3.4Å; I277-Q281 PolarHBondContact O-N 3.24Å; Q281-S283 VanDerWaalsContact C-N 3.29Å; Q281-S283 PolarHBondContact O-N 3.41Å; Q281-L284 PolarHBondContact O-N 3.3Å; Q281-E285 HydrophobicContact CG-CG 4.39Å; Q281-E285 PolarHBondContact NE2-OE1 3Å; Q281-E285 WeakPolarHBondContact O-CG 3.38Å; Q281-E285 PolarHBondContact O-N 2.96Å; Q281-V881 HydrophobicContact CG-CG1 4.48Å; Q281-L884 HydrophobicContact CB-CD1 4.44Å
282S83.8Confident85.8Confident56 Ų5678.7 Ų78.739%0.39237%0.373SS..Hα-helixtrans-60.8-37.6178.2-176.30000112.4N278 R279 D280 E285 Q286N278-S282 VanDerWaalsContact O-CB 3.29Å; N278-S282 WeakPolarHBondContact O-CB 3.47Å; N278-S282 PolarHBondContact O-N 3.27Å; R279-S282 PolarHBondContact O-N 3.09Å; D280-S282 PolarHBondContact O-N 3.12Å; S282-E285 PolarHBondContact O-N 2.99Å; S282-Q286 WeakPolarHBondContact O-CG 3.46Å; S282-Q286 PolarHBondContact O-N 2.74Å
283S87.1Confident85.7Confident62 Ų6275.9 Ų75.943%0.43437%0.368SS..Hα-helixtrans-64.6-41.3176.777.30000112.6R279 D280 Q281 Q286 E287R279-S283 PolarHBondContact O-N 3.09Å; D280-S283 PolarHBondContact O-N 2.79Å; D280-S283 PolarHBondContact O-OG 2.77Å; Q281-S283 VanDerWaalsContact C-N 3.29Å; Q281-S283 PolarHBondContact O-N 3.41Å; S283-Q286 PolarHBondContact O-N 3.15Å; S283-E287 PolarHBondContact O-N 3.5Å; S283-E287 VanDerWaalsContact O-N 3.16Å
284L88.9Confident85.8Confident11 Ų1176.3 Ų76.36%0.05837%0.368CS..Hα-helixtrans-72.1-38.2176.3-66.2177000111.8D280 Q281 Q286 E287 I288 V877 R880 V881 L884D280-L284 PolarHBondContact O-N 3.42Å; D280-L284 VanDerWaalsContact O-N 3.11Å; Q281-L284 PolarHBondContact O-N 3.3Å; L284-Q286 VanDerWaalsContact C-N 3.31Å; L284-Q286 PolarHBondContact O-N 3.48Å; L284-E287 WeakPolarHBondContact O-CA 3.24Å; L284-E287 VanDerWaalsContact O-CB 3.31Å; L284-E287 WeakPolarHBondContact O-CB 3.47Å; L284-E287 PolarHBondContact O-N 2.68Å; L284-I288 PolarHBondContact O-N 3.46Å; L284-V877 HydrophobicContact CB-CG1 4Å; L284-V877 HydrophobicContact CD2-CG1 4.23Å; L284-R880 HydrophobicContact CD1-CB 3.97Å; L284-V881 HydrophobicContact CB-CG2 3.65Å; L284-V881 HydrophobicContact CD1-CG2 4.27Å; L284-L884 HydrophobicContact CD1-CD1 3.71Å
285E84.2Confident85.9Confident77 Ų7776.2 Ų76.236%0.3637%0.368SS..Hα-helixtrans-63.7-35.6174.3-75.2178.5179.500112.1Q281 S282 E287 I288 K289 V881Q281-E285 HydrophobicContact CG-CG 4.39Å; Q281-E285 PolarHBondContact NE2-OE1 3Å; Q281-E285 WeakPolarHBondContact O-CG 3.38Å; Q281-E285 PolarHBondContact O-N 2.96Å; S282-E285 PolarHBondContact O-N 2.99Å; E285-E287 VanDerWaalsContact C-N 3.3Å; E285-I288 PolarHBondContact O-N 3.25Å; E285-K289 PolarHBondContact O-N 2.97Å; E285-K289 VanDerWaalsContact O-N 3.09Å; E285-V881 HydrophobicContact CG-CG2 4.48Å
286Q86.4Confident85.7Confident109 Ų10977.1 Ų77.151%0.50938%0.377SS..Hα-helixtrans-64.6-35169.6-75.6-176.59.200112.2S282 S283 L284 K289 K290S282-Q286 WeakPolarHBondContact O-CG 3.46Å; S282-Q286 PolarHBondContact O-N 2.74Å; S283-Q286 PolarHBondContact O-N 3.15Å; L284-Q286 VanDerWaalsContact C-N 3.31Å; L284-Q286 PolarHBondContact O-N 3.48Å; Q286-K289 PolarHBondContact O-N 2.85Å; Q286-K290 WeakPolarHBondContact O-CG 3.3Å; Q286-K290 PolarHBondContact O-N 2.89Å
287E88Confident85.6Confident92 Ų9277.8 Ų77.843%0.4338%0.38SS..Hα-helixtrans-67.6-39.6175.6-165.4167-157.900111.9S283 L284 E285 K290 C291 V877S283-E287 PolarHBondContact O-N 3.5Å; S283-E287 VanDerWaalsContact O-N 3.16Å; L284-E287 WeakPolarHBondContact O-CA 3.24Å; L284-E287 VanDerWaalsContact O-CB 3.31Å; L284-E287 WeakPolarHBondContact O-CB 3.47Å; L284-E287 PolarHBondContact O-N 2.68Å; E285-E287 VanDerWaalsContact C-N 3.3Å; E287-K290 WeakPolarHBondContact O-CB 3.44Å; E287-K290 PolarHBondContact O-N 2.83Å; E287-C291 PolarHBondContact O-N 2.84Å; E287-C291 PolarHBondContact O-SG 2.89Å; E287-V877 HydrophobicContact CB-CG1 4.48Å; E287-V877 HydrophobicContact CG-CG2 4.45Å
288I86.8Confident85.7Confident23 Ų2380.9 Ų80.912%0.11839%0.39CS..Hα-helixtrans-58.4-49.4171.2-64.6172.8000110.4L284 E285 K290 C291 E292 V877 E878 V881L284-I288 PolarHBondContact O-N 3.46Å; E285-I288 PolarHBondContact O-N 3.25Å; I288-K290 VanDerWaalsContact C-N 3.29Å; I288-K290 PolarHBondContact O-N 3.31Å; I288-C291 WeakPolarHBondContact O-CB 3Å; I288-C291 PolarHBondContact O-N 2.76Å; I288-C291 VanDerWaalsContact O-N 3.09Å; I288-E292 HydrophobicContact CG2-CG 4.47Å; I288-E292 WeakPolarHBondContact O-CG 3.48Å; I288-E292 PolarHBondContact O-N 3.37Å; I288-V877 HydrophobicContact CD1-CG1 4.07Å; I288-V877 HydrophobicContact CG1-CB 4.16Å; I288-V877 HydrophobicContact CG1-CG1 3.54Å; I288-E878 HydrophobicContact CD1-CG 3.87Å; I288-E878 HydrophobicContact CG1-CG 4.48Å; I288-V881 HydrophobicContact CD1-CG2 3.98Å
289K84Confident85.7Confident135 Ų13583.3 Ų83.359%0.58740%0.397SS*.Hα-helixtrans-59.2-38.3177.1-74.8-178.2-179.5176.90112.5E285 Q286 E292 Q293E285-K289 PolarHBondContact O-N 2.97Å; E285-K289 VanDerWaalsContact O-N 3.09Å; Q286-K289 PolarHBondContact O-N 2.85Å; K289-E292 PolarHBondContact O-N 3.08Å; K289-Q293 WeakPolarHBondContact O-CB 3.42Å; K289-Q293 VanDerWaalsContact O-CG 3.31Å; K289-Q293 WeakPolarHBondContact O-CG 3.38Å; K289-Q293 PolarHBondContact O-N 3.37Å
290K87.2Confident85.5Confident122 Ų12278.4 Ų78.453%0.5339%0.389SS..Hα-helixtrans-64.9-40.7175.2-74.1172.5-174.5173.90111.6Q286 E287 I288 K294Q286-K290 WeakPolarHBondContact O-CG 3.3Å; Q286-K290 PolarHBondContact O-N 2.89Å; E287-K290 WeakPolarHBondContact O-CB 3.44Å; E287-K290 PolarHBondContact O-N 2.83Å; I288-K290 VanDerWaalsContact C-N 3.29Å; I288-K290 PolarHBondContact O-N 3.31Å; K290-K294 WeakPolarHBondContact O-CG 3.4Å; K290-K294 PolarHBondContact O-N 3.37Å; K290-K294 VanDerWaalsContact O-N 3.12Å
291C87.8Confident85.5Confident6 Ų678.1 Ų78.14%0.04139%0.385CS..Hα-helixtrans-62.4-47.3174.8-62.30000110.9E287 I288 Q293 K294 I295 K874E287-C291 PolarHBondContact O-N 2.84Å; E287-C291 PolarHBondContact O-SG 2.89Å; I288-C291 WeakPolarHBondContact O-CB 3Å; I288-C291 PolarHBondContact O-N 2.76Å; I288-C291 VanDerWaalsContact O-N 3.09Å; C291-Q293 PolarHBondContact O-N 3.49Å; C291-K294 PolarHBondContact O-N 3.24Å; C291-I295 WeakPolarHBondContact O-CG1 3.27Å; C291-I295 PolarHBondContact O-N 3.34Å; C291-K874 HydrophobicContact CB-CB 4.26Å
292E83.7Confident85.7Confident93 Ų9379.2 Ų79.244%0.43539%0.389SS..Hα-helixtrans-62.1-39.7178.4-69.5-174.8151.500112.9I288 K289 I295 G296 K874I288-E292 HydrophobicContact CG2-CG 4.47Å; I288-E292 WeakPolarHBondContact O-CG 3.48Å; I288-E292 PolarHBondContact O-N 3.37Å; K289-E292 PolarHBondContact O-N 3.08Å; E292-I295 PolarHBondContact O-N 2.98Å; E292-G296 PolarHBondContact O-N 3.31Å; E292-K874 HydrophobicContact CG-CD 4.26Å; E292-K874 IonicContact OE1-NZ 3.56Å; E292-K874 PolarHBondContact OE1-NZ 3.11Å
293Q84.6Confident85.7Confident127 Ų12780.6 Ų80.659%0.59339%0.392SS*.Hα-helixtrans-64.2-39.4174.6-75.6178.54.100112.6K289 C291 G296 K297K289-Q293 WeakPolarHBondContact O-CB 3.42Å; K289-Q293 VanDerWaalsContact O-CG 3.31Å; K289-Q293 WeakPolarHBondContact O-CG 3.38Å; K289-Q293 PolarHBondContact O-N 3.37Å; C291-Q293 PolarHBondContact O-N 3.49Å; Q293-G296 PolarHBondContact O-N 3.06Å; Q293-K297 WeakPolarHBondContact O-CG 3.02Å; Q293-K297 PolarHBondContact O-N 3.36Å
294K87Confident85.6Confident101 Ų10185.3 Ų85.344%0.43940%0.404SS..Hα-helixtrans-64.9-44.5175.6-72.2170.7178.1177.80111.3K290 C291 G296 K297 R298 E870K290-K294 WeakPolarHBondContact O-CG 3.4Å; K290-K294 PolarHBondContact O-N 3.37Å; K290-K294 VanDerWaalsContact O-N 3.12Å; C291-K294 PolarHBondContact O-N 3.24Å; K294-G296 VanDerWaalsContact C-N 3.35Å; K294-G296 PolarHBondContact O-N 3.13Å; K294-K297 PolarHBondContact O-N 3.28Å; K294-R298 WeakPolarHBondContact O-CG 3.47Å; K294-R298 PolarHBondContact O-N 3.38Å; K294-E870 VanDerWaalsContact CD-CD 3.46Å; K294-E870 HydrophobicContact CD-CG 4.19Å; K294-E870 WeakPolarHBondContact CD-OE2 3.3Å; K294-E870 VanDerWaalsContact NZ-CD 3.28Å; K294-E870 IonicContact NZ-OE1 2.67Å; K294-E870 PolarHBondContact NZ-OE1 3.35Å; K294-E870 IonicContact NZ-OE2 3.44Å; K294-E870 PolarHBondContact NZ-OE2 3.15Å
295I87.2Confident85.5Confident24 Ų2485.7 Ų85.712%0.12341%0.407CS..Hα-helixtrans-61.1-45.4175.3-64.8167.6000110.2C291 E292 K297 R298 K299 E870C291-I295 WeakPolarHBondContact O-CG1 3.27Å; C291-I295 PolarHBondContact O-N 3.34Å; E292-I295 PolarHBondContact O-N 2.98Å; I295-K297 VanDerWaalsContact C-N 3.32Å; I295-K297 PolarHBondContact O-N 3.47Å; I295-R298 PolarHBondContact O-N 2.68Å; I295-K299 WeakPolarHBondContact O-CB 3.36Å; I295-K299 PolarHBondContact O-N 3.18Å; I295-E870 HydrophobicContact CD1-CB 4.36Å; I295-E870 HydrophobicContact CG1-CB 4.06Å
296G80.3Confident85.6Confident44 Ų4483.5 Ų83.545%0.45440%0.4SS..Hα-helixtrans-61.6-33.6177.700000114.1E292 Q293 K294 P300E292-G296 PolarHBondContact O-N 3.31Å; Q293-G296 PolarHBondContact O-N 3.06Å; K294-G296 VanDerWaalsContact C-N 3.35Å; K294-G296 PolarHBondContact O-N 3.13Å; G296-P300 WeakPolarHBondContact O-CD 3.45Å
297K85Confident85.5Confident153 Ų15384.7 Ų84.767%0.66541%0.406SS*.Hα-helixtrans-74.6-36.8174.3-74.2177.1-178.7-1780113.1Q293 K294 I295Q293-K297 WeakPolarHBondContact O-CG 3.02Å; Q293-K297 PolarHBondContact O-N 3.36Å; K294-K297 PolarHBondContact O-N 3.28Å; I295-K297 VanDerWaalsContact C-N 3.32Å; I295-K297 PolarHBondContact O-N 3.47Å
298R87.4Confident85.5Confident90 Ų9084 Ų8434%0.3440%0.404SS..Hα-helixtrans-77.8-28.5-179.8-70.8-56.8-161.1-157.3-0.7113.8K294 I295 E301 F302 I863 E866 M867K294-R298 WeakPolarHBondContact O-CG 3.47Å; K294-R298 PolarHBondContact O-N 3.38Å; I295-R298 PolarHBondContact O-N 2.68Å; R298-E301 WeakPolarHBondContact CD-OE2 3.41Å; R298-E301 IonicContact CZ-OE2 3.29Å; R298-E301 IonicContact NE-OE2 3.14Å; R298-E301 IonicContact NH1-OE1 3.41Å; R298-E301 IonicContact NH1-OE2 3.48Å; R298-E301 PolarHBondContact NH1-OE2 3.42Å; R298-E301 WeakPolarHBondContact O-CB 3.38Å; R298-E301 PolarHBondContact O-N 3.5Å; R298-E301 VanDerWaalsContact O-N 3.12Å; R298-F302 PolarHBondContact O-N 3.41Å; R298-I863 HydrophobicContact CB-CG2 4.29Å; R298-E866 IonicContact CZ-OE2 3.43Å; R298-E866 IonicContact NE-OE2 3.77Å; R298-E866 PolarHBondContact NE-OE2 2.78Å; R298-E866 IonicContact NH2-OE1 2.92Å; R298-E866 IonicContact NH2-OE2 3.25Å; R298-E866 PolarHBondContact NH2-OE2 2.7Å; R298-M867 HydrophobicContact CB-CG 3.9Å; R298-M867 HydrophobicContact CB-SD 4.23Å
299K83.1Confident85.6Confident125 Ų12584 Ų8454%0.54340%0.404SS..Hα-helixtrans-60-43.8-177.3-172.7173.6-174.3173.60114.1I295 F302 I303I295-K299 WeakPolarHBondContact O-CB 3.36Å; I295-K299 PolarHBondContact O-N 3.18Å; K299-F302 PolarHBondContact O-N 3.36Å; K299-I303 WeakPolarHBondContact O-CG1 3.48Å; K299-I303 PolarHBondContact O-N 2.98Å; K299-I303 VanDerWaalsContact O-N 3.11Å
300P82.6Confident85.8Confident79 Ų7985.7 Ų85.751%0.51341%0.407SS..Hα-helixtrans-63.6-37.9171.5-23.633.9000113.6G296 I303 K304G296-P300 WeakPolarHBondContact O-CD 3.45Å; P300-I303 PolarHBondContact O-N 2.82Å; P300-K304 WeakPolarHBondContact O-CB 3.42Å; P300-K304 PolarHBondContact O-N 2.85Å
301E86.2Confident85.7Confident81 Ų8184.7 Ų84.738%0.37940%0.404SS..Hα-helixtrans-63.3-42.8176.2-63.9178.8175.600111R298 I303 K304 V305 I863R298-E301 WeakPolarHBondContact CD-OE2 3.41Å; R298-E301 IonicContact CZ-OE2 3.29Å; R298-E301 IonicContact NE-OE2 3.14Å; R298-E301 IonicContact NH1-OE1 3.41Å; R298-E301 IonicContact NH1-OE2 3.48Å; R298-E301 PolarHBondContact NH1-OE2 3.42Å; R298-E301 WeakPolarHBondContact O-CB 3.38Å; R298-E301 PolarHBondContact O-N 3.5Å; R298-E301 VanDerWaalsContact O-N 3.12Å; E301-I303 PolarHBondContact O-N 3.21Å; E301-K304 PolarHBondContact O-N 3.31Å; E301-V305 WeakPolarHBondContact O-CG2 3.48Å; E301-V305 PolarHBondContact O-N 3.41Å; E301-I863 HydrophobicContact CB-CD1 4.29Å
302F89.3Confident85.6Confident54 Ų5484.6 Ų84.624%0.23740%0.404CS..Hα-helixtrans-58.6-47.1174.2179.9-96.3000111.8R298 K299 K304 V305 S306 E860 I863 K864 M867R298-F302 PolarHBondContact O-N 3.41Å; K299-F302 PolarHBondContact O-N 3.36Å; F302-K304 VanDerWaalsContact C-N 3.35Å; F302-K304 PolarHBondContact O-N 3.12Å; F302-V305 PolarHBondContact O-N 2.91Å; F302-S306 WeakPolarHBondContact CE1-OG 3.44Å; F302-S306 VanDerWaalsContact O-CB 3.29Å; F302-S306 WeakPolarHBondContact O-CB 3.14Å; F302-S306 PolarHBondContact O-N 3.14Å; F302-S306 PolarHBondContact O-OG 3.37Å; F302-E860 HydrophobicContact CD2-CG 4.2Å; F302-E860 HydrophobicContact CE2-CG 3.58Å; F302-E860 HydrophobicContact CZ-CG 4.27Å; F302-I863 HydrophobicContact CB-CG2 3.86Å; F302-I863 HydrophobicContact CD2-CG2 4.28Å; F302-K864 HydrophobicContact CE2-CB 4.22Å; F302-M867 HydrophobicContact CB-SD 4.28Å
303I82.2Confident85.8Confident85 Ų8582.8 Ų82.844%0.43640%0.401SS..Hα-helixtrans-62.3-42.6178.3-66.4166.9000110.8K299 P300 E301 S306 Q307K299-I303 WeakPolarHBondContact O-CG1 3.48Å; K299-I303 PolarHBondContact O-N 2.98Å; K299-I303 VanDerWaalsContact O-N 3.11Å; P300-I303 PolarHBondContact O-N 2.82Å; E301-I303 PolarHBondContact O-N 3.21Å; I303-S306 PolarHBondContact O-N 3.32Å; I303-Q307 WeakPolarHBondContact O-CG 3.25Å; I303-Q307 PolarHBondContact O-N 3.13Å
304K85.2Confident85.9Confident161 Ų16181.4 Ų81.470%0.739%0.394SS*.Hα-helixtrans-62.6-46.2178.4-174.4178.1179.4-179.80111.9P300 E301 F302 L308P300-K304 WeakPolarHBondContact O-CB 3.42Å; P300-K304 PolarHBondContact O-N 2.85Å; E301-K304 PolarHBondContact O-N 3.31Å; F302-K304 VanDerWaalsContact C-N 3.35Å; F302-K304 PolarHBondContact O-N 3.12Å; K304-L308 PolarHBondContact O-N 3.43Å; K304-L308 VanDerWaalsContact O-N 3.09Å
305V88.2Confident85.9Confident18 Ų1881.1 Ų81.111%0.10939%0.393CS..Hα-helixtrans-68.1-37.5177.7176.60000111.1E301 F302 L308 L309 C856 Q859 E860 I863E301-V305 WeakPolarHBondContact O-CG2 3.48Å; E301-V305 PolarHBondContact O-N 3.41Å; F302-V305 PolarHBondContact O-N 2.91Å; V305-L308 PolarHBondContact O-N 3.3Å; V305-L309 WeakPolarHBondContact O-CB 3.08Å; V305-L309 PolarHBondContact O-N 2.98Å; V305-C856 WeakPolarHBondContact CG1-O 3.25Å; V305-Q859 HydrophobicContact CG1-CB 4.05Å; V305-E860 HydrophobicContact CG1-CB 3.99Å; V305-I863 HydrophobicContact CG2-CD1 3.95Å
306S85Confident86Confident31 Ų3181 Ų8122%0.21739%0.392CS..Hα-helixtrans-63.9-41.8176.8-59.30000112.4F302 I303 L309 R310F302-S306 WeakPolarHBondContact CE1-OG 3.44Å; F302-S306 VanDerWaalsContact O-CB 3.29Å; F302-S306 WeakPolarHBondContact O-CB 3.14Å; F302-S306 PolarHBondContact O-N 3.14Å; F302-S306 PolarHBondContact O-OG 3.37Å; I303-S306 PolarHBondContact O-N 3.32Å; S306-L309 PolarHBondContact O-N 3.1Å; S306-R310 PolarHBondContact O-N 2.82Å; S306-R310 VanDerWaalsContact O-N 3.08Å
307Q84.9Confident86.4Confident135 Ų13586.5 Ų86.563%0.63140%0.403SS*.Hα-helixtrans-65.3-42.3174.6-75.8-179.4-13.100111.9I303 R310 H311I303-Q307 WeakPolarHBondContact O-CG 3.25Å; I303-Q307 PolarHBondContact O-N 3.13Å; Q307-R310 PolarHBondContact O-N 3.35Å; Q307-H311 PolarHBondContact O-N 2.9Å; Q307-H311 VanDerWaalsContact O-N 3.14Å
308L87Confident86.5Confident77 Ų7785.8 Ų85.840%0.40340%0.403SS..Hα-helixtrans-62.8-42.8175.7-174.464.2000111.4K304 V305 R310 H311 V312K304-L308 PolarHBondContact O-N 3.43Å; K304-L308 VanDerWaalsContact O-N 3.09Å; V305-L308 PolarHBondContact O-N 3.3Å; L308-R310 VanDerWaalsContact C-N 3.3Å; L308-R310 PolarHBondContact O-N 3.35Å; L308-H311 PolarHBondContact O-N 2.86Å; L308-V312 HydrophobicContact CD1-CG2 4.33Å; L308-V312 HydrophobicContact CG-CG2 4.36Å; L308-V312 WeakPolarHBondContact O-CG2 3.14Å; L308-V312 PolarHBondContact O-N 3.03Å
309L90.2Very high86.5Confident22 Ų2281.9 Ų81.912%0.11539%0.389CS..Hα-helixtrans-59.2-40.8175.5177.360.3000111.7V305 S306 S313 M853 C856 K857 E860V305-L309 WeakPolarHBondContact O-CB 3.08Å; V305-L309 PolarHBondContact O-N 2.98Å; S306-L309 PolarHBondContact O-N 3.1Å; L309-S313 WeakPolarHBondContact O-CB 3.5Å; L309-S313 PolarHBondContact O-N 3.45Å; L309-M853 HydrophobicContact CD1-CG 3.82Å; L309-C856 HydrophobicContact CB-CB 4.19Å; L309-C856 HydrophobicContact CD1-CB 4.04Å; L309-K857 HydrophobicContact CD1-CG 3.66Å; L309-K857 HydrophobicContact CD2-CG 3.95Å; L309-K857 HydrophobicContact CG-CG 4.49Å; L309-E860 WeakPolarHBondContact CD2-OE2 3.12Å
310R87.3Confident86.8Confident172 Ų17281.8 Ų81.865%0.64939%0.389SS*.Hα-helixtrans-61.7-46175.9-161.4-176104.5167.43.9111.6S306 Q307 L308 S313 E314S306-R310 PolarHBondContact O-N 2.82Å; S306-R310 VanDerWaalsContact O-N 3.08Å; Q307-R310 PolarHBondContact O-N 3.35Å; L308-R310 VanDerWaalsContact C-N 3.3Å; L308-R310 PolarHBondContact O-N 3.35Å; R310-S313 PolarHBondContact O-N 3.18Å; R310-E314 IonicContact CZ-OE1 2.74Å; R310-E314 IonicContact NE-OE1 3.34Å; R310-E314 IonicContact NH2-OE1 3.51Å; R310-E314 PolarHBondContact O-N 3.2Å
311H84.7Confident87.1Confident100 Ų10084.8 Ų84.846%0.46339%0.394SS..Hα-helixtrans-63.6-46.5179-172.967.6000112.6Q307 L308 S313 E314 K315Q307-H311 PolarHBondContact O-N 2.9Å; Q307-H311 VanDerWaalsContact O-N 3.14Å; L308-H311 PolarHBondContact O-N 2.86Å; H311-S313 VanDerWaalsContact C-N 3.31Å; H311-S313 PolarHBondContact O-N 3.32Å; H311-E314 PolarHBondContact O-N 3.44Å; H311-K315 WeakPolarHBondContact NE2-CE 3.29Å; H311-K315 PolarHBondContact O-N 2.9Å; H311-K315 VanDerWaalsContact O-N 3.08Å
312V87.2Confident87.2Confident5 Ų582.9 Ų82.93%0.0339%0.389CS..Hα-helixtrans-66.5-34.9177.31790000111L308 H316 E852 M853L308-V312 HydrophobicContact CD1-CG2 4.33Å; L308-V312 HydrophobicContact CG-CG2 4.36Å; L308-V312 WeakPolarHBondContact O-CG2 3.14Å; L308-V312 PolarHBondContact O-N 3.03Å; V312-H316 WeakPolarHBondContact O-CB 3.45Å; V312-H316 PolarHBondContact O-N 3.08Å; V312-E852 HydrophobicContact CG1-CB 4.19Å; V312-E852 HydrophobicContact CG1-CG 4.23Å; V312-E852 HydrophobicContact CG2-CG 4.2Å; V312-M853 HydrophobicContact CG1-CB 3.88Å
313S87.9Confident87.3Confident55 Ų5581 Ų8139%0.38538%0.382SS..Hα-helixtrans-68.1-37.4175.4-174.90000113.1L309 R310 H311 K317L309-S313 WeakPolarHBondContact O-CB 3.5Å; L309-S313 PolarHBondContact O-N 3.45Å; R310-S313 PolarHBondContact O-N 3.18Å; H311-S313 VanDerWaalsContact C-N 3.31Å; H311-S313 PolarHBondContact O-N 3.32Å; S313-K317 PolarHBondContact O-N 3.49Å; S313-K317 VanDerWaalsContact O-N 3.16Å
314E86.9Confident87.6Confident97 Ų9783 Ų8345%0.45339%0.389SS..Hα-helixtrans-66.5-46.5174.7-77.8174.9-172.500110.6R310 H311 H316 K317 E318R310-E314 IonicContact CZ-OE1 2.74Å; R310-E314 IonicContact NE-OE1 3.34Å; R310-E314 IonicContact NH2-OE1 3.51Å; R310-E314 PolarHBondContact O-N 3.2Å; H311-E314 PolarHBondContact O-N 3.44Å; E314-H316 PolarHBondContact O-N 3.46Å; E314-K317 WeakPolarHBondContact O-CB 3.49Å; E314-K317 PolarHBondContact O-N 3.26Å; E314-K317 VanDerWaalsContact O-N 3.17Å; E314-E318 PolarHBondContact O-N 2.94Å; E314-E318 VanDerWaalsContact O-N 3.12Å
315K86Confident87.6Confident96 Ų9679.5 Ų79.542%0.41738%0.378SS..Hα-helixtrans-57.3-48.8173.3-77.3-172.8170.2-171.70113.1H311 K317 E318 S319H311-K315 WeakPolarHBondContact NE2-CE 3.29Å; H311-K315 PolarHBondContact O-N 2.9Å; H311-K315 VanDerWaalsContact O-N 3.08Å; K315-K317 PolarHBondContact O-N 3.37Å; K315-E318 PolarHBondContact O-N 3.16Å; K315-E318 VanDerWaalsContact O-N 3.08Å; K315-S319 PolarHBondContact O-N 3.14Å; K315-S319 PolarHBondContact O-OG 3.11Å
316H89.9Confident87.6Confident20 Ų2079.1 Ų79.19%0.09338%0.377CS..Hα-helixtrans-57.8-35.9177.5-178.267.5000112.3V312 E314 K320 E849V312-H316 WeakPolarHBondContact O-CB 3.45Å; V312-H316 PolarHBondContact O-N 3.08Å; E314-H316 PolarHBondContact O-N 3.46Å; H316-K320 WeakPolarHBondContact O-CB 3.5Å; H316-K320 PolarHBondContact O-N 3.42Å; H316-E849 WeakPolarHBondContact CA-OE2 3.28Å; H316-E849 HydrophobicContact CB-CB 4.39Å
317K87.5Confident87.8Confident160 Ų16084 Ų8470%0.69639%0.39SS*.Hα-helixtrans-68.5-41177.2-171.4-178.9178.3-176.70111.8S313 E314 K315 K321S313-K317 PolarHBondContact O-N 3.49Å; S313-K317 VanDerWaalsContact O-N 3.16Å; E314-K317 WeakPolarHBondContact O-CB 3.49Å; E314-K317 PolarHBondContact O-N 3.26Å; E314-K317 VanDerWaalsContact O-N 3.17Å; K315-K317 PolarHBondContact O-N 3.37Å; K317-K321 PolarHBondContact O-N 2.94Å
318E86.9Confident87.9Confident138 Ų13883.6 Ų83.665%0.64539%0.389SS*.Hα-helixtrans-65.9-49.3175.3-69.8-179.5170.500111.6E314 K315 K320 K321 S322E314-E318 PolarHBondContact O-N 2.94Å; E314-E318 VanDerWaalsContact O-N 3.12Å; K315-E318 PolarHBondContact O-N 3.16Å; K315-E318 VanDerWaalsContact O-N 3.08Å; E318-K320 VanDerWaalsContact C-N 3.3Å; E318-K320 PolarHBondContact O-N 3.43Å; E318-K321 WeakPolarHBondContact O-CB 3.49Å; E318-K321 PolarHBondContact O-N 3.34Å; E318-K321 VanDerWaalsContact O-N 3.08Å; E318-S322 PolarHBondContact O-N 3.27Å; E318-S322 PolarHBondContact O-OG 2.84Å
319S88.3Confident87.8Confident9 Ų984.5 Ų84.56%0.06339%0.393CS..Hα-helixtrans-60.8-37.1177.2-61.90000112.4K315 S322 L323 E849K315-S319 PolarHBondContact O-N 3.14Å; K315-S319 PolarHBondContact O-OG 3.11Å; S319-S322 PolarHBondContact O-N 3.13Å; S319-L323 WeakPolarHBondContact O-CB 3.39Å; S319-L323 PolarHBondContact O-N 3.39Å; S319-E849 WeakPolarHBondContact CB-OE2 3.34Å; S319-E849 VanDerWaalsContact OG-CD 3.3Å; S319-E849 PolarHBondContact OG-OE1 2.94Å; S319-E849 PolarHBondContact OG-OE2 3.41Å
320K89.8Confident87.8Confident122 Ų12285.5 Ų85.553%0.5340%0.397SS..Hα-helixtrans-64.2-38.9174.5-172.1-178.9178.1-171.10112.1H316 E318 L323 E324H316-K320 WeakPolarHBondContact O-CB 3.5Å; H316-K320 PolarHBondContact O-N 3.42Å; E318-K320 VanDerWaalsContact C-N 3.3Å; E318-K320 PolarHBondContact O-N 3.43Å; K320-L323 PolarHBondContact O-N 3.21Å; K320-E324 PolarHBondContact O-N 3.44Å
321K88.3Confident87.8Confident142 Ų14280 Ų8062%0.61739%0.385SS*.Hα-helixtrans-66.6-40.3175.1-170.4179.9179.6-177.20111.4K317 E318 E324 N325K317-K321 PolarHBondContact O-N 2.94Å; E318-K321 WeakPolarHBondContact O-CB 3.49Å; E318-K321 PolarHBondContact O-N 3.34Å; E318-K321 VanDerWaalsContact O-N 3.08Å; K321-E324 PolarHBondContact O-N 3.43Å; K321-N325 PolarHBondContact O-N 2.85Å
322S88.4Confident87.9Confident41 Ų4177.9 Ų77.929%0.28738%0.379SS..Hα-helixtrans-63.5-40173.6-61.50000112.4E318 S319 N325 A326E318-S322 PolarHBondContact O-N 3.27Å; E318-S322 PolarHBondContact O-OG 2.84Å; S319-S322 PolarHBondContact O-N 3.13Å; S322-N325 PolarHBondContact O-N 3.2Å; S322-A326 WeakPolarHBondContact O-CB 3.44Å; S322-A326 PolarHBondContact O-N 2.94Å
323L91.2Very high87.9Confident14 Ų1478.2 Ų78.27%0.07338%0.38CS..Hα-helixtrans-63-42.2173.6176.259.2000112.1S319 K320 A326 R327 V839 W842 E843 V846S319-L323 WeakPolarHBondContact O-CB 3.39Å; S319-L323 PolarHBondContact O-N 3.39Å; K320-L323 PolarHBondContact O-N 3.21Å; L323-A326 PolarHBondContact O-N 3.04Å; L323-R327 HydrophobicContact CD1-CG 4.12Å; L323-R327 HydrophobicContact CG-CG 4.5Å; L323-R327 WeakPolarHBondContact O-CB 3.43Å; L323-R327 WeakPolarHBondContact O-CG 3.44Å; L323-R327 PolarHBondContact O-N 3.48Å; L323-V839 HydrophobicContact CD1-CG1 4.15Å; L323-W842 HydrophobicContact CB-CB 4.04Å; L323-W842 HydrophobicContact CD1-CB 3.96Å; L323-E843 HydrophobicContact CD1-CG 3.47Å; L323-E843 VanDerWaalsContact CD1-CG 3.47Å; L323-E843 HydrophobicContact CD2-CG 4.07Å; L323-E843 HydrophobicContact CG-CG 4.43Å; L323-V846 HydrophobicContact CB-CG2 4.18Å; L323-V846 HydrophobicContact CD2-CB 4.34Å; L323-V846 HydrophobicContact CD2-CG1 4.39Å; L323-V846 HydrophobicContact CD2-CG2 4.07Å
324E88.3Confident87.8Confident127 Ų12779.2 Ų79.259%0.59338%0.381SS*.Hα-helixtrans-62.5-44.1177.2-171.2169.3-166.100111.6K320 K321 A326 R327 Q328K320-E324 PolarHBondContact O-N 3.44Å; K321-E324 PolarHBondContact O-N 3.43Å; E324-A326 PolarHBondContact O-N 2.89Å; E324-R327 PolarHBondContact O-N 2.86Å; E324-Q328 WeakPolarHBondContact O-CB 3.33Å; E324-Q328 PolarHBondContact O-N 3.07Å
325N86.2Confident87.8Confident89 Ų8979.5 Ų79.548%0.47638%0.383SS..Hα-helixtrans-62.1-42.2173.5-68.6-15.2000112.3K321 S322 Q328 L329K321-N325 PolarHBondContact O-N 2.85Å; S322-N325 PolarHBondContact O-N 3.2Å; N325-Q328 PolarHBondContact O-N 3.47Å; N325-L329 WeakPolarHBondContact O-CB 3.22Å; N325-L329 PolarHBondContact O-N 3.46Å
326A87.5Confident87.8Confident9 Ų978.8 Ų78.87%0.07438%0.38CS..Hα-helixtrans-64.9-40.9177.600000111.8S322 L323 E324 L329 H330 V839S322-A326 WeakPolarHBondContact O-CB 3.44Å; S322-A326 PolarHBondContact O-N 2.94Å; L323-A326 PolarHBondContact O-N 3.04Å; E324-A326 PolarHBondContact O-N 2.89Å; A326-L329 PolarHBondContact O-N 2.82Å; A326-H330 WeakPolarHBondContact O-CB 3.49Å; A326-H330 PolarHBondContact O-N 3.25Å; A326-V839 HydrophobicContact CB-CG2 4.12Å
327R89.5Confident87.6Confident134 Ų13478.7 Ų78.751%0.50638%0.381SS..Hα-helixtrans-65.5-40.9174.3-77.6178.9173.3-172.6-3.7112.3L323 E324 H330 S331 V839 E843L323-R327 HydrophobicContact CD1-CG 4.12Å; L323-R327 HydrophobicContact CG-CG 4.5Å; L323-R327 WeakPolarHBondContact O-CB 3.43Å; L323-R327 WeakPolarHBondContact O-CG 3.44Å; L323-R327 PolarHBondContact O-N 3.48Å; E324-R327 PolarHBondContact O-N 2.86Å; R327-H330 PolarHBondContact O-N 3.37Å; R327-S331 WeakPolarHBondContact O-CB 3.48Å; R327-S331 PolarHBondContact O-N 3.38Å; R327-V839 HydrophobicContact CG-CG1 4.11Å; R327-E843 IonicContact CZ-OE1 2.68Å; R327-E843 IonicContact NE-OE1 3.28Å; R327-E843 PolarHBondContact NE-OE1 3.4Å; R327-E843 IonicContact NH2-OE1 2.88Å; R327-E843 PolarHBondContact NH2-OE1 3.16Å
328Q87Confident87.6Confident127 Ų12775.7 Ų75.759%0.59337%0.372SS*.Hα-helixtrans-61.9-47.1175.8-171.8176.93.600110.4E324 N325 H330 S331 T332E324-Q328 WeakPolarHBondContact O-CB 3.33Å; E324-Q328 PolarHBondContact O-N 3.07Å; N325-Q328 PolarHBondContact O-N 3.47Å; Q328-H330 PolarHBondContact O-N 3.42Å; Q328-S331 PolarHBondContact O-N 2.81Å; Q328-T332 PolarHBondContact O-N 2.93Å; Q328-T332 PolarHBondContact O-OG1 3.42Å
329L85.7Confident87.6Confident96 Ų9675.5 Ų75.550%0.50337%0.371SS..Hα-helixtrans-60.8-43.9176.5-174.969.7000112.2N325 A326 T332 H333N325-L329 WeakPolarHBondContact O-CB 3.22Å; N325-L329 PolarHBondContact O-N 3.46Å; A326-L329 PolarHBondContact O-N 2.82Å; L329-T332 PolarHBondContact O-N 3.17Å; L329-H333 WeakPolarHBondContact O-CB 3.11Å; L329-H333 PolarHBondContact O-N 2.93Å
330H88.8Confident87.5Confident43 Ų4376.3 Ų76.320%0.19938%0.375CS..Hα-helixtrans-65.3-38.2176.4-176.963.3000112.2A326 R327 Q328 H333 L334 T835 V839A326-H330 WeakPolarHBondContact O-CB 3.49Å; A326-H330 PolarHBondContact O-N 3.25Å; R327-H330 PolarHBondContact O-N 3.37Å; Q328-H330 PolarHBondContact O-N 3.42Å; H330-H333 WeakPolarHBondContact O-CB 2.95Å; H330-H333 PolarHBondContact O-N 3.25Å; H330-L334 WeakPolarHBondContact O-CG 3.49Å; H330-L334 PolarHBondContact O-N 3.47Å; H330-T835 PolarHBondContact ND1-OG1 3.16Å; H330-V839 HydrophobicContact CB-CG2 3.78Å
331S87.8Confident87.3Confident55 Ų5573.9 Ų73.939%0.38537%0.365SS..Hα-helixtrans-65.1-41.4174.9-176.70000112.2R327 Q328 H333 L334 Q335R327-S331 WeakPolarHBondContact O-CB 3.48Å; R327-S331 PolarHBondContact O-N 3.38Å; Q328-S331 PolarHBondContact O-N 2.81Å; S331-H333 VanDerWaalsContact C-N 3.31Å; S331-L334 PolarHBondContact O-N 3.11Å; S331-Q335 WeakPolarHBondContact O-CG 3.37Å; S331-Q335 PolarHBondContact O-N 3.35Å
332T86.8Confident87.3Confident56 Ų5669 Ų6934%0.34435%0.352SS..Hα-helixtrans-63.5-42175.2-470000110.4Q328 L329 Q335 E336Q328-T332 PolarHBondContact O-N 2.93Å; Q328-T332 PolarHBondContact O-OG1 3.42Å; L329-T332 PolarHBondContact O-N 3.17Å; T332-Q335 WeakPolarHBondContact O-CB 2.91Å; T332-Q335 PolarHBondContact O-N 3.38Å; T332-E336 WeakPolarHBondContact O-CG 3.5Å; T332-E336 PolarHBondContact O-N 2.92Å
333H86.1Confident87.2Confident12 Ų1271.9 Ų71.96%0.05636%0.36CS..Hα-helixtrans-61.9-43.2176.8-179.163.7000112.9L329 H330 S331 E336 I337 E830 R833 T835L329-H333 WeakPolarHBondContact O-CB 3.11Å; L329-H333 PolarHBondContact O-N 2.93Å; H330-H333 WeakPolarHBondContact O-CB 2.95Å; H330-H333 PolarHBondContact O-N 3.25Å; S331-H333 VanDerWaalsContact C-N 3.31Å; H333-E336 PolarHBondContact O-N 3.25Å; H333-I337 WeakPolarHBondContact O-CG1 3.26Å; H333-I337 PolarHBondContact O-N 3.03Å; H333-E830 PolarHBondContact CE1-O 3.01Å; H333-E830 IonicContact CE1-OE2 3.58Å; H333-E830 PolarHBondContact CE1-OE2 3.05Å; H333-E830 IonicContact ND1-OE2 2.78Å; H333-E830 PolarHBondContact ND1-OE2 3.43Å; H333-E830 VanDerWaalsContact ND1-OE2 3.14Å; H333-E830 PolarHBondContact NE2-O 2.67Å; H333-R833 PolarHBondContact NE2-O 3.24Å; H333-T835 HydrophobicContact CB-CG2 4.31Å; H333-T835 PolarHBondContact CD2-OG1 3.16Å
334L86.6Confident87.1Confident76 Ų7675.3 Ų75.340%0.39837%0.373SS..Hα-helixtrans-63.9-40.4173.4-74.2174.9000112.3H330 S331 E336 I337 D338H330-L334 WeakPolarHBondContact O-CG 3.49Å; H330-L334 PolarHBondContact O-N 3.47Å; S331-L334 PolarHBondContact O-N 3.11Å; L334-E336 VanDerWaalsContact C-N 3.31Å; L334-E336 PolarHBondContact O-N 3.45Å; L334-I337 PolarHBondContact O-N 2.96Å; L334-D338 PolarHBondContact O-N 3.06Å
335Q87.3Confident87Confident104 Ų10475.3 Ų75.349%0.48637%0.373SS..Hα-helixtrans-62.9-37.5175.5-75.5175.1-6.100112.5S331 T332 Q339S331-Q335 WeakPolarHBondContact O-CG 3.37Å; S331-Q335 PolarHBondContact O-N 3.35Å; T332-Q335 WeakPolarHBondContact O-CB 2.91Å; T332-Q335 PolarHBondContact O-N 3.38Å; Q335-Q339 WeakPolarHBondContact O-CB 3.46Å; Q335-Q339 WeakPolarHBondContact O-CG 3.19Å; Q335-Q339 PolarHBondContact O-N 3.27Å
336E85.7Confident87Confident80 Ų8077.8 Ų77.837%0.37438%0.38SS..Hα-helixtrans-64.7-42174.2-73.5168.5-17700111.1T332 H333 L334 Q339 L340T332-E336 WeakPolarHBondContact O-CG 3.5Å; T332-E336 PolarHBondContact O-N 2.92Å; H333-E336 PolarHBondContact O-N 3.25Å; L334-E336 VanDerWaalsContact C-N 3.31Å; L334-E336 PolarHBondContact O-N 3.45Å; E336-Q339 PolarHBondContact O-N 3.45Å; E336-L340 VanDerWaalsContact O-CG 3.3Å; E336-L340 WeakPolarHBondContact O-CG 3.49Å; E336-L340 PolarHBondContact O-N 2.93Å
337I86.6Confident87Confident19 Ų1978.7 Ų78.710%0.09738%0.383CS..Hα-helixtrans-62.2-51.1173.9-67.8171.2000110.8H333 L334 Q339 L340 E341 L827 E830 R831H333-I337 WeakPolarHBondContact O-CG1 3.26Å; H333-I337 PolarHBondContact O-N 3.03Å; L334-I337 PolarHBondContact O-N 2.96Å; I337-Q339 VanDerWaalsContact C-N 3.26Å; I337-Q339 PolarHBondContact O-N 2.88Å; I337-L340 PolarHBondContact O-N 3.22Å; I337-L340 VanDerWaalsContact O-N 3.11Å; I337-E341 HydrophobicContact CG2-CG 4.21Å; I337-E341 WeakPolarHBondContact O-CG 3.45Å; I337-E341 PolarHBondContact O-N 3.36Å; I337-L827 HydrophobicContact CG2-CD2 4.14Å; I337-E830 HydrophobicContact CG1-CB 4.09Å; I337-R831 HydrophobicContact CD1-CG 4.49Å
338D86.9Confident86.7Confident97 Ų9774.4 Ų74.452%0.51937%0.374SS..Hα-helixtrans-58.2-39179.5-73.5-16.3000111.8L334 A342L334-D338 PolarHBondContact O-N 3.06Å; D338-A342 VanDerWaalsContact O-CB 3.28Å; D338-A342 WeakPolarHBondContact O-CB 3.29Å; D338-A342 PolarHBondContact O-N 3.14Å
339Q86.3Confident86.7Confident134 Ų13471 Ų7163%0.62636%0.36SS*.Hα-helixtrans-64.8-44.8176.2-77.4173.422.800111.8Q335 E336 I337 A342 E343Q335-Q339 WeakPolarHBondContact O-CB 3.46Å; Q335-Q339 WeakPolarHBondContact O-CG 3.19Å; Q335-Q339 PolarHBondContact O-N 3.27Å; E336-Q339 PolarHBondContact O-N 3.45Å; I337-Q339 VanDerWaalsContact C-N 3.26Å; I337-Q339 PolarHBondContact O-N 2.88Å; Q339-A342 PolarHBondContact O-N 3.02Å; Q339-E343 WeakPolarHBondContact O-CB 3.43Å; Q339-E343 PolarHBondContact O-N 3.42Å
340L86.5Confident86.7Confident25 Ų2570.6 Ų70.613%0.13136%0.357CS..Hα-helixtrans-67.3-37.7177.5-69.6169.4000111.9E336 I337 E343 Y344 I823 Q826 L827 E830E336-L340 VanDerWaalsContact O-CG 3.3Å; E336-L340 WeakPolarHBondContact O-CG 3.49Å; E336-L340 PolarHBondContact O-N 2.93Å; I337-L340 PolarHBondContact O-N 3.22Å; I337-L340 VanDerWaalsContact O-N 3.11Å; L340-E343 PolarHBondContact O-N 3.03Å; L340-Y344 WeakPolarHBondContact O-CB 3.36Å; L340-Y344 PolarHBondContact O-N 2.79Å; L340-I823 HydrophobicContact CB-CG2 4.44Å; L340-I823 HydrophobicContact CD2-CG2 4.41Å; L340-I823 WeakPolarHBondContact O-CG2 3.29Å; L340-Q826 HydrophobicContact CD1-CB 4.21Å; L340-Q826 HydrophobicContact CD2-CB 4.36Å; L340-L827 HydrophobicContact CB-CD1 4.25Å; L340-L827 HydrophobicContact CB-CD2 4.26Å; L340-L827 HydrophobicContact CB-CG 3.87Å; L340-E830 HydrophobicContact CD1-CG 4.4Å
341E86.6Confident86.5Confident71 Ų7170.5 Ų70.533%0.33236%0.357SS..Hα-helixtrans-65.6-45174.9-70.9-174.3172.200111.5I337 E343 Y344 E345 L827 R831I337-E341 HydrophobicContact CG2-CG 4.21Å; I337-E341 WeakPolarHBondContact O-CG 3.45Å; I337-E341 PolarHBondContact O-N 3.36Å; E341-E343 VanDerWaalsContact C-N 3.29Å; E341-E343 PolarHBondContact O-N 2.97Å; E341-Y344 WeakPolarHBondContact O-CB 3.49Å; E341-Y344 PolarHBondContact O-N 2.99Å; E341-E345 WeakPolarHBondContact O-CB 3.49Å; E341-E345 PolarHBondContact O-N 2.82Å; E341-L827 HydrophobicContact CG-CD1 4.33Å; E341-L827 HydrophobicContact CG-CD2 3.68Å; E341-R831 IonicContact OE1-CZ 2.91Å; E341-R831 IonicContact OE1-NE 3.56Å; E341-R831 IonicContact OE1-NH2 3.49Å; E341-R831 PolarHBondContact OE1-NH2 2.98Å
342A87.2Confident86.3Confident41 Ų4174 Ų7434%0.33936%0.361SS..Hα-helixtrans-64-35.1175.600000112.2D338 Q339 K346D338-A342 VanDerWaalsContact O-CB 3.28Å; D338-A342 WeakPolarHBondContact O-CB 3.29Å; D338-A342 PolarHBondContact O-N 3.14Å; Q339-A342 PolarHBondContact O-N 3.02Å; A342-K346 WeakPolarHBondContact O-CB 3.44Å; A342-K346 VanDerWaalsContact O-CG 3.23Å; A342-K346 WeakPolarHBondContact O-CG 3.11Å; A342-K346 PolarHBondContact O-N 3.3Å; A342-K346 VanDerWaalsContact O-N 3.07Å
343E86.1Confident86.2Confident100 Ų10075.4 Ų75.447%0.46737%0.367SS..Hα-helixtrans-68.4-42.9173.7-162.3176.1-173.500111.2Q339 L340 E341 K346 I347 I823Q339-E343 WeakPolarHBondContact O-CB 3.43Å; Q339-E343 PolarHBondContact O-N 3.42Å; L340-E343 PolarHBondContact O-N 3.03Å; E341-E343 VanDerWaalsContact C-N 3.29Å; E341-E343 PolarHBondContact O-N 2.97Å; E343-K346 PolarHBondContact O-N 2.86Å; E343-I347 WeakPolarHBondContact O-CG1 3.44Å; E343-I347 PolarHBondContact O-N 3.18Å; E343-I823 HydrophobicContact CB-CD1 4.38Å; E343-I823 HydrophobicContact CG-CD1 3.88Å
344Y88.7Confident86.1Confident86 Ų8676.2 Ų76.234%0.33737%0.37SS..Hα-helixtrans-59.5-47.7174.9-172.6-87000111.9L340 E341 I347 S348 L820 I823 N824L340-Y344 WeakPolarHBondContact O-CB 3.36Å; L340-Y344 PolarHBondContact O-N 2.79Å; E341-Y344 WeakPolarHBondContact O-CB 3.49Å; E341-Y344 PolarHBondContact O-N 2.99Å; Y344-I347 PolarHBondContact O-N 3.38Å; Y344-S348 VanDerWaalsContact O-CB 3.3Å; Y344-S348 WeakPolarHBondContact O-CB 3.41Å; Y344-S348 PolarHBondContact O-N 3.22Å; Y344-L820 HydrophobicContact CD1-CD2 4.4Å; Y344-L820 HydrophobicContact CD2-CD2 3.71Å; Y344-L820 HydrophobicContact CE1-CD2 4.32Å; Y344-L820 HydrophobicContact CE2-CB 4.05Å; Y344-L820 HydrophobicContact CE2-CD2 3.63Å; Y344-L820 HydrophobicContact CE2-CG 4.4Å; Y344-L820 HydrophobicContact CG-CD2 4.1Å; Y344-I823 HydrophobicContact CD2-CB 4.35Å; Y344-I823 HydrophobicContact CD2-CG2 4.17Å; Y344-N824 HydrophobicContact CE2-CB 4.26Å
345E86.9Confident85.7Confident127 Ų12775.9 Ų75.959%0.59337%0.366SS*.Hα-helixtrans-63.4-43.7179.5-168.6172.8-160.500111.3E341 I347 S348 D349E341-E345 WeakPolarHBondContact O-CB 3.49Å; E341-E345 PolarHBondContact O-N 2.82Å; E345-I347 PolarHBondContact O-N 2.74Å; E345-S348 PolarHBondContact O-N 3.49Å; E345-D349 WeakPolarHBondContact O-CB 3.34Å; E345-D349 PolarHBondContact O-N 2.82Å
346K87.2Confident85.4Confident142 Ų14276.5 Ų76.562%0.61737%0.369SS*.Hα-helixtrans-57.4-47.1174.5-79.3172.6-176.4173.80112.6A342 E343 D349 I350A342-K346 WeakPolarHBondContact O-CB 3.44Å; A342-K346 VanDerWaalsContact O-CG 3.23Å; A342-K346 WeakPolarHBondContact O-CG 3.11Å; A342-K346 PolarHBondContact O-N 3.3Å; A342-K346 VanDerWaalsContact O-N 3.07Å; E343-K346 PolarHBondContact O-N 2.86Å; K346-D349 PolarHBondContact O-N 2.82Å; K346-I350 WeakPolarHBondContact O-CD1 3.32Å; K346-I350 WeakPolarHBondContact O-CG1 3.43Å; K346-I350 PolarHBondContact O-N 3.17Å
347I86Confident85.1Confident27 Ų2778.5 Ų78.514%0.13838%0.378CS..Hα-helixtrans-68.2-38.4-180-62.6-60.2000111E343 Y344 E345 I350 Q351 F816 Q819 L820 I823E343-I347 WeakPolarHBondContact O-CG1 3.44Å; E343-I347 PolarHBondContact O-N 3.18Å; Y344-I347 PolarHBondContact O-N 3.38Å; E345-I347 PolarHBondContact O-N 2.74Å; I347-I350 HydrophobicContact CD1-CD1 4.41Å; I347-I350 PolarHBondContact O-N 3.31Å; I347-Q351 PolarHBondContact O-N 3.11Å; I347-F816 HydrophobicContact CG2-CD1 4.35Å; I347-Q819 HydrophobicContact CG2-CB 4.26Å; I347-L820 HydrophobicContact CB-CD2 3.94Å; I347-L820 HydrophobicContact CG2-CD2 3.76Å; I347-L820 HydrophobicContact CG2-CG 3.85Å; I347-I823 HydrophobicContact CG1-CD1 4.22Å
348S84Confident84.3Confident45 Ų4579.1 Ų79.132%0.31538%0.381SS..Hα-helixtrans-62.8-43.4175.9-174.30000112.1Y344 E345 Q351 R352Y344-S348 VanDerWaalsContact O-CB 3.3Å; Y344-S348 WeakPolarHBondContact O-CB 3.41Å; Y344-S348 PolarHBondContact O-N 3.22Å; E345-S348 PolarHBondContact O-N 3.49Å; S348-Q351 WeakPolarHBondContact O-CB 3.33Å; S348-Q351 PolarHBondContact O-N 2.91Å; S348-R352 PolarHBondContact O-N 2.84Å
349D86.1Confident83.4Confident55 Ų5577.4 Ų77.429%0.29438%0.376SS..Hα-helixtrans-63.5-43.8175.1-82.1-16.8000111.6E345 K346 Q351 R352 D353E345-D349 WeakPolarHBondContact O-CB 3.34Å; E345-D349 PolarHBondContact O-N 2.82Å; K346-D349 PolarHBondContact O-N 2.82Å; D349-Q351 VanDerWaalsContact C-N 3.3Å; D349-Q351 PolarHBondContact O-N 3.04Å; D349-R352 PolarHBondContact O-N 3.46Å; D349-R352 IonicContact OD1-CZ 3.99Å; D349-R352 VanDerWaalsContact OD1-CZ 3.24Å; D349-R352 IonicContact OD1-NH1 3Å; D349-R352 PolarHBondContact OD1-NH1 3.42Å; D349-R352 IonicContact OD1-NH2 2.99Å; D349-R352 PolarHBondContact OD1-NH2 3.43Å; D349-D353 WeakPolarHBondContact O-CB 3.1Å; D349-D353 PolarHBondContact O-N 3.41Å
350I86.4Confident82.6Confident88 Ų8878.1 Ų78.145%0.45138%0.378SS..Hα-helixtrans-60.5-41.1175.2-67.5164.1000110.9K346 I347 Y354 F816K346-I350 WeakPolarHBondContact O-CD1 3.32Å; K346-I350 WeakPolarHBondContact O-CG1 3.43Å; K346-I350 PolarHBondContact O-N 3.17Å; I347-I350 HydrophobicContact CD1-CD1 4.41Å; I347-I350 PolarHBondContact O-N 3.31Å; I350-Y354 WeakPolarHBondContact O-CB 3.21Å; I350-Y354 PolarHBondContact O-N 3.36Å; I350-F816 HydrophobicContact CG2-CE1 3.6Å; I350-F816 HydrophobicContact CG2-CZ 3.75Å
351Q84.3Confident81.6Confident41 Ų4182.3 Ų82.319%0.19240%0.395CS..Hα-helixtrans-62.1-47175.2-179.4-176-5.300111I347 S348 D349 Y354 E355 F816I347-Q351 PolarHBondContact O-N 3.11Å; S348-Q351 WeakPolarHBondContact O-CB 3.33Å; S348-Q351 PolarHBondContact O-N 2.91Å; D349-Q351 VanDerWaalsContact C-N 3.3Å; D349-Q351 PolarHBondContact O-N 3.04Å; Q351-Y354 WeakPolarHBondContact O-CB 3.44Å; Q351-Y354 PolarHBondContact O-N 3.38Å; Q351-E355 WeakPolarHBondContact O-CG 3.21Å; Q351-E355 PolarHBondContact O-N 3.45Å; Q351-F816 HydrophobicContact CB-CB 4.25Å; Q351-F816 HydrophobicContact CB-CD2 4.27Å; Q351-F816 HydrophobicContact CB-CG 4.14Å; Q351-F816 HydrophobicContact CG-CB 4.18Å; Q351-F816 HydrophobicContact CG-CD2 4.23Å; Q351-F816 HydrophobicContact CG-CG 4.34Å
352R84.1Confident80.2Confident128 Ų12882.1 Ų82.148%0.48340%0.401SS..Hα-helixtrans-62.4-44.9-179.7-174.1177.566.3-147-8.2111.9S348 D349 Y354 E355 Q356S348-R352 PolarHBondContact O-N 2.84Å; D349-R352 PolarHBondContact O-N 3.46Å; D349-R352 IonicContact OD1-CZ 3.99Å; D349-R352 VanDerWaalsContact OD1-CZ 3.24Å; D349-R352 IonicContact OD1-NH1 3Å; D349-R352 PolarHBondContact OD1-NH1 3.42Å; D349-R352 IonicContact OD1-NH2 2.99Å; D349-R352 PolarHBondContact OD1-NH2 3.43Å; R352-Y354 VanDerWaalsContact C-N 3.31Å; R352-Y354 PolarHBondContact O-N 3.35Å; R352-E355 PolarHBondContact O-N 2.86Å; R352-Q356 WeakPolarHBondContact O-CG 3.4Å; R352-Q356 PolarHBondContact O-N 3.42Å
353D85.3Confident78.8Confident85 Ų8587.2 Ų87.246%0.45542%0.422SS..Hα-helixtrans-62.5-40.9177.3-77.90.2000111.2D349 Q356 Q357D349-D353 WeakPolarHBondContact O-CB 3.1Å; D349-D353 PolarHBondContact O-N 3.41Å; D353-Q356 PolarHBondContact O-N 3.37Å; D353-Q357 WeakPolarHBondContact O-CG 3.29Å; D353-Q357 PolarHBondContact O-N 3.14Å
354Y83.9Confident77.5Confident30 Ų3090 Ų9012%0.11844%0.435CS..Hα-helixtrans-62-45.7174.2-178.2-105.1000111.9I350 Q351 R352 Q356 Q357 Q358 K812 F816I350-Y354 WeakPolarHBondContact O-CB 3.21Å; I350-Y354 PolarHBondContact O-N 3.36Å; Q351-Y354 WeakPolarHBondContact O-CB 3.44Å; Q351-Y354 PolarHBondContact O-N 3.38Å; R352-Y354 VanDerWaalsContact C-N 3.31Å; R352-Y354 PolarHBondContact O-N 3.35Å; Y354-Q356 PolarHBondContact O-N 3.15Å; Y354-Q357 PolarHBondContact O-N 2.92Å; Y354-Q358 HydrophobicContact CD1-CG 4.32Å; Y354-Q358 HydrophobicContact CE1-CG 3.98Å; Y354-Q358 HydrophobicContact CE2-CG 4.17Å; Y354-Q358 VanDerWaalsContact O-CG 3.26Å; Y354-Q358 WeakPolarHBondContact O-CG 3.31Å; Y354-Q358 PolarHBondContact O-N 2.66Å; Y354-Q358 PolarHBondContact OH-NE2 2.92Å; Y354-K812 HydrophobicContact CD2-CD 4.39Å; Y354-K812 HydrophobicContact CE1-CB 3.79Å; Y354-K812 HydrophobicContact CE1-CD 4.37Å; Y354-K812 HydrophobicContact CE2-CD 3.7Å; Y354-F816 AromaticContact CD1-CE2 3.92Å; Y354-F816 HydrophobicContact CD1-CE2 3.92Å; Y354-F816 AromaticContact CG-CE2 4Å; Y354-F816 HydrophobicContact CG-CE2 4Å
355E77.9Confident75.7Confident69 Ų6993.1 Ų93.132%0.32245%0.452SS..Hα-helixtrans-64.5-39.3178.1-71.7-164.5146.700112.8Q351 R352 Q358 S359 R813Q351-E355 WeakPolarHBondContact O-CG 3.21Å; Q351-E355 PolarHBondContact O-N 3.45Å; R352-E355 PolarHBondContact O-N 2.86Å; E355-Q358 PolarHBondContact O-N 3.12Å; E355-S359 WeakPolarHBondContact O-CB 3.3Å; E355-S359 PolarHBondContact O-N 3.11Å; E355-R813 IonicContact OE1-CZ 2.94Å; E355-R813 VanDerWaalsContact OE1-CZ 3.28Å; E355-R813 IonicContact OE1-NE 3.66Å; E355-R813 PolarHBondContact OE1-NE 2.78Å; E355-R813 IonicContact OE1-NH2 3.72Å; E355-R813 PolarHBondContact OE1-NH2 3.44Å
356Q80Confident73.5Confident117 Ų11790.3 Ų90.355%0.54746%0.457SS..Hα-helixtrans-63.8-43174.7-75.4-173.77.700112.1R352 D353 Y354 Q358 S359 K360R352-Q356 WeakPolarHBondContact O-CG 3.4Å; R352-Q356 PolarHBondContact O-N 3.42Å; D353-Q356 PolarHBondContact O-N 3.37Å; Y354-Q356 PolarHBondContact O-N 3.15Å; Q356-Q358 VanDerWaalsContact C-N 3.32Å; Q356-Q358 PolarHBondContact O-N 3.09Å; Q356-S359 PolarHBondContact O-N 3.19Å; Q356-K360 PolarHBondContact O-N 3.12Å
357Q79.4Confident71.6Confident121 Ų12195.3 Ų95.357%0.56547%0.472SS*.Hα-helixtrans-62-40.1175.5-75-178.811.900111.9D353 Y354 K361D353-Q357 WeakPolarHBondContact O-CG 3.29Å; D353-Q357 PolarHBondContact O-N 3.14Å; Y354-Q357 PolarHBondContact O-N 2.92Å; Q357-K361 WeakPolarHBondContact O-CG 3.42Å; Q357-K361 PolarHBondContact O-N 3.41Å; Q357-K361 VanDerWaalsContact O-N 3.08Å
358Q70.1Confident69.6Low32 Ų32100.5 Ų100.515%0.1550%0.501CS..Hα-helixtrans-71.1-36.2178.4-66.3-61.8-17.200112.5Y354 E355 Q356 K361 S362 R809Y354-Q358 HydrophobicContact CD1-CG 4.32Å; Y354-Q358 HydrophobicContact CE1-CG 3.98Å; Y354-Q358 HydrophobicContact CE2-CG 4.17Å; Y354-Q358 VanDerWaalsContact O-CG 3.26Å; Y354-Q358 WeakPolarHBondContact O-CG 3.31Å; Y354-Q358 PolarHBondContact O-N 2.66Å; Y354-Q358 PolarHBondContact OH-NE2 2.92Å; E355-Q358 PolarHBondContact O-N 3.12Å; Q356-Q358 VanDerWaalsContact C-N 3.32Å; Q356-Q358 PolarHBondContact O-N 3.09Å; Q358-K361 PolarHBondContact O-N 3.49Å; Q358-S362 PolarHBondContact O-N 3.48Å; Q358-S362 PolarHBondContact O-OG 3.34Å; Q358-R809 PolarHBondContact O-NH2 2.78Å
359S67.7Low68.1Low62 Ų62104.3 Ų104.343%0.43452%0.517SS..Hα-helixtrans-62.6-46.8173.7176.90000111.6E355 Q356 K361 S362 L363E355-S359 WeakPolarHBondContact O-CB 3.3Å; E355-S359 PolarHBondContact O-N 3.11Å; Q356-S359 PolarHBondContact O-N 3.19Å; S359-K361 PolarHBondContact O-N 2.97Å; S359-S362 PolarHBondContact O-N 2.89Å; S359-L363 PolarHBondContact O-N 2.83Å; S359-L363 VanDerWaalsContact O-N 3.11Å
360K70.5Confident66.5Low149 Ų149110.1 Ų110.165%0.64854%0.542SS*.Hα-helixtrans-58-45.9174.1-86.3-175.2172.91800112.3Q356 S362 L363 E364Q356-K360 PolarHBondContact O-N 3.12Å; K360-S362 VanDerWaalsContact C-N 3.35Å; K360-S362 PolarHBondContact O-N 3.36Å; K360-L363 PolarHBondContact O-N 3.05Å; K360-E364 PolarHBondContact O-N 3.32Å; K360-E364 VanDerWaalsContact O-N 3.12Å
361K65Low65.2Low113 Ų113107 Ų10749%0.49153%0.527SS..Hα-helixtrans-63.2-37.3177.5-76.2-177178.3-177.40113.2Q357 Q358 S359 L363 E364Q357-K361 WeakPolarHBondContact O-CG 3.42Å; Q357-K361 PolarHBondContact O-N 3.41Å; Q357-K361 VanDerWaalsContact O-N 3.08Å; Q358-K361 PolarHBondContact O-N 3.49Å; S359-K361 PolarHBondContact O-N 2.97Å; K361-L363 VanDerWaalsContact C-N 3.33Å; K361-L363 PolarHBondContact O-N 3.46Å; K361-E364 PolarHBondContact O-N 2.88Å
362S58Low64.2Low67 Ų67111.6 Ų111.647%0.46955%0.548SS..Hα-helixtrans-67.1-31.6175.5-65.60000112.7Q358 S359 K360 R809Q358-S362 PolarHBondContact O-N 3.48Å; Q358-S362 PolarHBondContact O-OG 3.34Å; S359-S362 PolarHBondContact O-N 2.89Å; K360-S362 VanDerWaalsContact C-N 3.35Å; K360-S362 PolarHBondContact O-N 3.36Å; S362-R809 PolarHBondContact OG-NH1 2.85Å; S362-R809 PolarHBondContact OG-NH2 3.31Å
363L57.1Low63.2Low147 Ų147113.7 Ų113.777%0.7756%0.563SS**Hα-helixtrans-77.5-28.4176.7-96.9131000113.7S359 K360 K361S359-L363 PolarHBondContact O-N 2.83Å; S359-L363 VanDerWaalsContact O-N 3.11Å; K360-L363 PolarHBondContact O-N 3.05Å; K361-L363 VanDerWaalsContact C-N 3.33Å; K361-L363 PolarHBondContact O-N 3.46Å
364E59.4Low62.4Low159 Ų159114.3 Ų114.374%0.74357%0.57SS**Hα-helixtrans-81.1-17.6-178-75.5176.2175.700114.1K360 K361K360-E364 PolarHBondContact O-N 3.32Å; K360-E364 VanDerWaalsContact O-N 3.12Å; K361-E364 PolarHBondContact O-N 2.88Å
365Q50Low61.8Low151 Ų151115.1 Ų115.171%0.70658%0.575SS**SBendtrans-103.635.5-169.3-69.8-173-22.200115.7
366G42.2Very low61.5Low68 Ų68115.3 Ų115.370%0.70158%0.578SS**  trans-53.6149.1-173.100000118.6
367R45.8Very low61.2Low247 Ų247113.2 Ų113.293%0.93258%0.576SS**  trans9497.2173.7-72.2-175.7172.1174.4-2.6116.7
368D44.6Very low61.1Low136 Ų136110.2 Ų110.273%0.72756%0.562SS**  trans-57127.5161.3-67.2-39.3000110.9
369L53.3Low61.5Low126 Ų126110 Ų11066%0.6656%0.56SS**  trans-100.289.9168-102.7141.5000107.3
370E52.4Low61.9Low176 Ų176112.1 Ų112.182%0.82256%0.563SS**PPolyproline II helixtrans-84.1122.5170.5-71.3-175.9159.400109.6
371L59.2Low62.4Low24 Ų24111.9 Ų111.913%0.12656%0.558CS.*PPolyproline II helixtrans-65.4133.2172.1-78.9160.8000110.4Q375 L376 F786 I790 Y798L371-Q375 HydrophobicContact CB-CB 4.34Å; L371-Q375 HydrophobicContact CD2-CB 3.64Å; L371-L376 HydrophobicContact CB-CD1 3.9Å; L371-L376 HydrophobicContact CD1-CD1 4.38Å; L371-F786 HydrophobicContact CD2-CZ 3.87Å; L371-I790 HydrophobicContact CD2-CG2 3.53Å; L371-Y798 HydrophobicContact CD1-CE1 3.81Å; L371-Y798 HydrophobicContact CD1-CE2 4.34Å; L371-Y798 WeakPolarHBondContact CD1-OH 3.39Å
372E62.9Low63.2Low136 Ų136107.2 Ų107.264%0.63654%0.538SS*.PPolyproline II helixtrans-64153.9170.8-73.7-16917300111T374 Q375 L376E372-T374 PolarHBondContact O-N 2.87Å; E372-T374 VanDerWaalsContact O-N 3.09Å; E372-Q375 HydrophobicContact CB-CG 4.3Å; E372-Q375 VanDerWaalsContact N-OE1 3.16Å; E372-Q375 CarbonylContact O-C 3.57Å; E372-Q375 WeakPolarHBondContact O-CA 3.38Å; E372-Q375 WeakPolarHBondContact O-CB 3.29Å; E372-Q375 PolarHBondContact O-N 2.81Å; E372-L376 PolarHBondContact O-N 2.88Å
373E63.3Low64.2Low172 Ų172107.8 Ų107.880%0.80453%0.532SS*.Hα-helixtrans-55.5-33.2-177-152.6175.8-161.600112.8L376 S377E373-L376 PolarHBondContact O-N 2.96Å; E373-S377 PolarHBondContact O-N 3.39Å; E373-S377 PolarHBondContact O-OG 3.29Å
374T68.3Low65.1Low98 Ų98107 Ų10760%0.60153%0.525SS*.Hα-helixtrans-66.3-40.3172.450.20000112.5E372 S377 E378E372-T374 PolarHBondContact O-N 2.87Å; E372-T374 VanDerWaalsContact O-N 3.09Å; T374-S377 WeakPolarHBondContact O-CB 3.41Å; T374-S377 PolarHBondContact O-N 2.7Å; T374-E378 PolarHBondContact O-N 3.47Å; T374-E378 VanDerWaalsContact O-N 3.08Å
375Q71.4Confident66.1Low47 Ų47104.1 Ų104.122%0.2251%0.51CS..Hα-helixtrans-73.7-34.2177-58.9-180-40.600111.5L371 E372 S377 E378 Y379 F786L371-Q375 HydrophobicContact CB-CB 4.34Å; L371-Q375 HydrophobicContact CD2-CB 3.64Å; E372-Q375 HydrophobicContact CB-CG 4.3Å; E372-Q375 VanDerWaalsContact N-OE1 3.16Å; E372-Q375 CarbonylContact O-C 3.57Å; E372-Q375 WeakPolarHBondContact O-CA 3.38Å; E372-Q375 WeakPolarHBondContact O-CB 3.29Å; E372-Q375 PolarHBondContact O-N 2.81Å; Q375-S377 VanDerWaalsContact C-N 3.32Å; Q375-E378 PolarHBondContact O-N 3.16Å; Q375-Y379 VanDerWaalsContact O-CB 3.24Å; Q375-Y379 WeakPolarHBondContact O-CB 3.4Å; Q375-Y379 PolarHBondContact O-N 2.94Å; Q375-F786 HydrophobicContact CB-CE2 4.24Å; Q375-F786 HydrophobicContact CB-CZ 4.42Å; Q375-F786 WeakPolarHBondContact O-CE2 3.28Å; Q375-F786 WeakPolarHBondContact O-CZ 3.38Å
376L71.7Confident67.5Low73 Ų7397.4 Ų97.438%0.38248%0.479SS..Hα-helixtrans-63.2-41.2172.8-138.8105.1000110.9L371 E372 E373 Y379 H380L371-L376 HydrophobicContact CB-CD1 3.9Å; L371-L376 HydrophobicContact CD1-CD1 4.38Å; E372-L376 PolarHBondContact O-N 2.88Å; E373-L376 PolarHBondContact O-N 2.96Å; L376-Y379 WeakPolarHBondContact O-CB 3.38Å; L376-Y379 PolarHBondContact O-N 3.05Å; L376-H380 PolarHBondContact O-CD2 3.48Å; L376-H380 PolarHBondContact O-N 3.23Å
377S73Confident69Low73 Ų7397 Ų9751%0.5147%0.469SS..Hα-helixtrans-61.4-46.9175.2-54.30000111.5E373 T374 Q375 H380 R381E373-S377 PolarHBondContact O-N 3.39Å; E373-S377 PolarHBondContact O-OG 3.29Å; T374-S377 WeakPolarHBondContact O-CB 3.41Å; T374-S377 PolarHBondContact O-N 2.7Å; Q375-S377 VanDerWaalsContact C-N 3.32Å; S377-H380 PolarHBondContact O-N 3.16Å; S377-R381 PolarHBondContact O-N 3.43Å
378E77.5Confident70.5Confident59 Ų5991.8 Ų91.828%0.27646%0.455SS..Hα-helixtrans-68.5-38.3178-17064.2-174.100111.8T374 Q375 H380 R381 L382 F786T374-E378 PolarHBondContact O-N 3.47Å; T374-E378 VanDerWaalsContact O-N 3.08Å; Q375-E378 PolarHBondContact O-N 3.16Å; E378-H380 PolarHBondContact O-N 3.27Å; E378-R381 WeakPolarHBondContact O-CB 3.15Å; E378-R381 PolarHBondContact O-N 3.46Å; E378-R381 IonicContact OE1-CZ 3.15Å; E378-R381 IonicContact OE1-NE 3.88Å; E378-R381 PolarHBondContact OE1-NE 3.46Å; E378-R381 IonicContact OE1-NH2 3.57Å; E378-R381 PolarHBondContact OE1-NH2 2.88Å; E378-R381 IonicContact OE2-CZ 3.96Å; E378-R381 IonicContact OE2-NE 2.65Å; E378-R381 PolarHBondContact OE2-NE 2.89Å; E378-R381 IonicContact OE2-NH2 3.83Å; E378-L382 HydrophobicContact CG-CD1 4.15Å; E378-L382 HydrophobicContact CG-CG 4.47Å; E378-L382 WeakPolarHBondContact O-CB 3.38Å; E378-L382 WeakPolarHBondContact O-CG 3.31Å; E378-L382 PolarHBondContact O-N 3.4Å; E378-F786 HydrophobicContact CB-CD2 4.43Å; E378-F786 HydrophobicContact CB-CE2 4.21Å; E378-F786 HydrophobicContact CG-CD2 4.09Å; E378-F786 HydrophobicContact CG-CE2 4.38Å
379Y77.8Confident72.1Confident27 Ų2792.4 Ų92.411%0.10645%0.447CS..Hα-helixtrans-57-48.7171.2168.7-99.3000111Q375 L376 R381 L382 K383 F783 F786 I795 E799Q375-Y379 VanDerWaalsContact O-CB 3.24Å; Q375-Y379 WeakPolarHBondContact O-CB 3.4Å; Q375-Y379 PolarHBondContact O-N 2.94Å; L376-Y379 WeakPolarHBondContact O-CB 3.38Å; L376-Y379 PolarHBondContact O-N 3.05Å; Y379-R381 VanDerWaalsContact C-N 3.35Å; Y379-R381 PolarHBondContact O-N 2.91Å; Y379-L382 PolarHBondContact O-N 3.19Å; Y379-K383 HydrophobicContact CE1-CD 4.09Å; Y379-K383 VanDerWaalsContact O-CB 3.27Å; Y379-K383 WeakPolarHBondContact O-CB 2.84Å; Y379-K383 PolarHBondContact O-N 2.96Å; Y379-K383 PolarHBondContact OH-NZ 3.21Å; Y379-F783 AromaticContact CD2-CE1 3.81Å; Y379-F783 HydrophobicContact CD2-CE1 3.81Å; Y379-F783 HydrophobicContact CD2-CZ 4.12Å; Y379-F783 HydrophobicContact CE2-CE1 4.31Å; Y379-F783 HydrophobicContact CE2-CZ 4.27Å; Y379-F786 HydrophobicContact CD2-CE1 4.09Å; Y379-I795 HydrophobicContact CD2-CD1 3.94Å; Y379-I795 HydrophobicContact CD2-CG1 4.43Å; Y379-I795 HydrophobicContact CE2-CD1 3.85Å; Y379-I795 HydrophobicContact CE2-CG1 3.96Å; Y379-E799 PolarHBondContact OH-OE1 3.39Å
380H77.2Confident73.4Confident106 Ų10686.7 Ų86.749%0.49142%0.417SS..Hα-helixtrans-63-39.9176.7-75.5-56.6000112.2L376 S377 E378 K383 Q384L376-H380 PolarHBondContact O-CD2 3.48Å; L376-H380 PolarHBondContact O-N 3.23Å; S377-H380 PolarHBondContact O-N 3.16Å; E378-H380 PolarHBondContact O-N 3.27Å; H380-K383 PolarHBondContact O-N 3.32Å; H380-Q384 WeakPolarHBondContact O-CB 3.36Å; H380-Q384 PolarHBondContact O-N 3.09Å
381R81.3Confident74.6Confident144 Ų14481.8 Ų81.854%0.54340%0.403SS..Hα-helixtrans-63-45.9176.2-169.5-178.881.1126.23.2112.1S377 E378 Y379 Q384 K385S377-R381 PolarHBondContact O-N 3.43Å; E378-R381 WeakPolarHBondContact O-CB 3.15Å; E378-R381 PolarHBondContact O-N 3.46Å; E378-R381 IonicContact OE1-CZ 3.15Å; E378-R381 IonicContact OE1-NE 3.88Å; E378-R381 PolarHBondContact OE1-NE 3.46Å; E378-R381 IonicContact OE1-NH2 3.57Å; E378-R381 PolarHBondContact OE1-NH2 2.88Å; E378-R381 IonicContact OE2-CZ 3.96Å; E378-R381 IonicContact OE2-NE 2.65Å; E378-R381 PolarHBondContact OE2-NE 2.89Å; E378-R381 IonicContact OE2-NH2 3.83Å; Y379-R381 VanDerWaalsContact C-N 3.35Å; Y379-R381 PolarHBondContact O-N 2.91Å; R381-Q384 WeakPolarHBondContact O-CB 2.91Å; R381-Q384 PolarHBondContact O-N 3Å; R381-K385 PolarHBondContact O-N 3.47Å
382L81.2Confident75.6Confident15 Ų1587.4 Ų87.48%0.07943%0.428CS..Hα-helixtrans-68.2-39.9178.3-70.2172000111.4E378 Y379 Q384 K385 V386 V782 F783 F786E378-L382 HydrophobicContact CG-CD1 4.15Å; E378-L382 HydrophobicContact CG-CG 4.47Å; E378-L382 WeakPolarHBondContact O-CB 3.38Å; E378-L382 WeakPolarHBondContact O-CG 3.31Å; E378-L382 PolarHBondContact O-N 3.4Å; Y379-L382 PolarHBondContact O-N 3.19Å; L382-Q384 VanDerWaalsContact C-N 3.28Å; L382-Q384 PolarHBondContact O-N 3.45Å; L382-K385 CarbonylContact O-C 3.57Å; L382-K385 WeakPolarHBondContact O-CB 3.3Å; L382-K385 PolarHBondContact O-N 2.93Å; L382-K385 VanDerWaalsContact O-N 3.09Å; L382-V386 WeakPolarHBondContact O-CG2 3.5Å; L382-V386 PolarHBondContact O-N 3.09Å; L382-V782 HydrophobicContact CB-CG1 4.39Å; L382-V782 HydrophobicContact CD2-CG1 3.97Å; L382-F783 HydrophobicContact CB-CD1 3.99Å; L382-F783 HydrophobicContact CB-CE1 3.56Å; L382-F783 HydrophobicContact CB-CE2 4.37Å; L382-F783 HydrophobicContact CB-CZ 3.79Å; L382-F783 HydrophobicContact CD1-CD1 3.92Å; L382-F783 HydrophobicContact CD1-CE1 4.1Å; L382-F786 HydrophobicContact CD1-CB 3.36Å; L382-F786 HydrophobicContact CD1-CD1 4.49Å; L382-F786 HydrophobicContact CD1-CD2 3.97Å; L382-F786 HydrophobicContact CD1-CG 3.71Å
383K78.4Confident76.6Confident79 Ų7982.6 Ų82.634%0.34341%0.406SS..Hα-helixtrans-62.1-37.7174.4-151.3172.9-161.8169.20111.6Y379 H380 V386 A387 F783 E799Y379-K383 HydrophobicContact CE1-CD 4.09Å; Y379-K383 VanDerWaalsContact O-CB 3.27Å; Y379-K383 WeakPolarHBondContact O-CB 2.84Å; Y379-K383 PolarHBondContact O-N 2.96Å; Y379-K383 PolarHBondContact OH-NZ 3.21Å; H380-K383 PolarHBondContact O-N 3.32Å; K383-V386 PolarHBondContact O-N 2.98Å; K383-A387 WeakPolarHBondContact O-CB 3.39Å; K383-A387 PolarHBondContact O-N 3.42Å; K383-F783 HydrophobicContact CB-CZ 4.12Å; K383-E799 IonicContact NZ-OE1 3.47Å; K383-E799 PolarHBondContact NZ-OE1 3.34Å
384Q76.9Confident77.3Confident131 Ų13176.3 Ų76.361%0.61238%0.381SS*.Hα-helixtrans-64.7-39.3173.1-165.1173.513.200111.8H380 R381 L382 A387 E388H380-Q384 WeakPolarHBondContact O-CB 3.36Å; H380-Q384 PolarHBondContact O-N 3.09Å; R381-Q384 WeakPolarHBondContact O-CB 2.91Å; R381-Q384 PolarHBondContact O-N 3Å; L382-Q384 VanDerWaalsContact C-N 3.28Å; L382-Q384 PolarHBondContact O-N 3.45Å; Q384-A387 PolarHBondContact O-N 3.37Å; Q384-E388 PolarHBondContact O-N 3.47Å
385K79.9Confident78Confident99 Ų9973.8 Ų73.843%0.4337%0.371SS..Hα-helixtrans-69.8-35.7176.1-160.1176.6-173.4-179.50113R381 L382 R389 V782R381-K385 PolarHBondContact O-N 3.47Å; L382-K385 CarbonylContact O-C 3.57Å; L382-K385 WeakPolarHBondContact O-CB 3.3Å; L382-K385 PolarHBondContact O-N 2.93Å; L382-K385 VanDerWaalsContact O-N 3.09Å; K385-R389 PolarHBondContact O-N 3.15Å; K385-V782 HydrophobicContact CB-CG1 4.21Å; K385-V782 HydrophobicContact CD-CG1 4.36Å; K385-V782 HydrophobicContact CG-CG1 4.46Å
386V80.4Confident78.6Confident9 Ų973.8 Ų73.86%0.05537%0.374CS..Hα-helixtrans-61.8-51.8169173.20000108.8L382 K383 E388 R389 T390 E779 V782 F783L382-V386 WeakPolarHBondContact O-CG2 3.5Å; L382-V386 PolarHBondContact O-N 3.09Å; K383-V386 PolarHBondContact O-N 2.98Å; V386-E388 VanDerWaalsContact C-N 3.27Å; V386-E388 PolarHBondContact O-N 2.92Å; V386-R389 PolarHBondContact O-N 2.98Å; V386-T390 HydrophobicContact CG1-CG2 3.96Å; V386-T390 WeakPolarHBondContact O-CB 3.41Å; V386-T390 PolarHBondContact O-N 3.13Å; V386-T390 PolarHBondContact O-OG1 2.88Å; V386-E779 HydrophobicContact CG1-CB 4.42Å; V386-E779 HydrophobicContact CG1-CG 4.4Å; V386-E779 HydrophobicContact CG2-CG 4.3Å; V386-V782 HydrophobicContact CG2-CB 3.58Å; V386-V782 HydrophobicContact CG2-CG1 3.6Å; V386-V782 HydrophobicContact CG2-CG2 4.01Å; V386-F783 HydrophobicContact CG2-CD2 3.86Å; V386-F783 HydrophobicContact CG2-CE2 3.68Å
387A73.5Confident79.3Confident59 Ų5970.8 Ų70.849%0.48836%0.358SS..Hα-helixtrans-56.2-37.1179.400000113.2K383 Q384 S391K383-A387 WeakPolarHBondContact O-CB 3.39Å; K383-A387 PolarHBondContact O-N 3.42Å; Q384-A387 PolarHBondContact O-N 3.37Å; A387-S391 WeakPolarHBondContact O-CA 3.29Å; A387-S391 WeakPolarHBondContact O-CB 3.37Å; A387-S391 PolarHBondContact O-N 3.43Å
388E77Confident79.7Confident138 Ų13871.6 Ų71.665%0.64536%0.357SS*.Hα-helixtrans-64.4-48.8172.8-79.7-178.8166.900112.4Q384 V386 S391Q384-E388 PolarHBondContact O-N 3.47Å; V386-E388 VanDerWaalsContact C-N 3.27Å; V386-E388 PolarHBondContact O-N 2.92Å; E388-S391 PolarHBondContact O-OG 3.05Å
389R78.8Confident80.1Confident150 Ų15073.4 Ų73.457%0.56637%0.368SS*.Hα-helixtrans-72.3-34.5-177.4-74.8-173.3172.5-171.6-2.5113.5K385 V386 V778K385-R389 PolarHBondContact O-N 3.15Å; V386-R389 PolarHBondContact O-N 2.98Å; R389-V778 HydrophobicContact CB-CG1 3.85Å
390T78.5Confident80.6Confident5 Ų573.3 Ų73.33%0.03137%0.37CS..Hα-helixtrans-94.61.5-179.161.10000112.2V386 H392 L393 S394 M775 V778V386-T390 HydrophobicContact CG1-CG2 3.96Å; V386-T390 WeakPolarHBondContact O-CB 3.41Å; V386-T390 PolarHBondContact O-N 3.13Å; V386-T390 PolarHBondContact O-OG1 2.88Å; T390-H392 PolarHBondContact O-N 2.88Å; T390-L393 CarbonylContact O-C 3.55Å; T390-L393 WeakPolarHBondContact O-CA 3.43Å; T390-L393 PolarHBondContact O-N 3.36Å; T390-S394 WeakPolarHBondContact O-CB 3.4Å; T390-S394 PolarHBondContact O-N 3.31Å; T390-M775 HydrophobicContact CG2-CG 3.55Å; T390-V778 HydrophobicContact CG2-CB 3.77Å; T390-V778 HydrophobicContact CG2-CG1 3.64Å; T390-V778 HydrophobicContact CG2-CG2 4.36Å
391S78.6Confident80.9Confident74 Ų7470.3 Ų70.352%0.51736%0.357SS..Hα-helixtrans-45-45.7-179.756.90000113.8A387 E388 A395A387-S391 WeakPolarHBondContact O-CA 3.29Å; A387-S391 WeakPolarHBondContact O-CB 3.37Å; A387-S391 PolarHBondContact O-N 3.43Å; E388-S391 PolarHBondContact O-OG 3.05Å; S391-A395 WeakPolarHBondContact O-CB 3.39Å; S391-A395 PolarHBondContact O-N 2.91Å
392H81.2Confident81.1Confident142 Ų14271.2 Ų71.266%0.65736%0.361SS*.Hα-helixtrans-69.7-44.5176.4-172.256.2000113.1T390 A395 V396T390-H392 PolarHBondContact O-N 2.88Å; H392-A395 PolarHBondContact O-N 2.81Å; H392-V396 WeakPolarHBondContact O-CG2 3.49Å; H392-V396 PolarHBondContact O-N 2.79Å
393L82.1Confident81.4Confident34 Ų3475 Ų7518%0.17838%0.378CS..Hα-helixtrans-64.8-41.4177.6-71.8167.9000111.5T390 A395 V396 L397 E771 K774 M775 V778T390-L393 CarbonylContact O-C 3.55Å; T390-L393 WeakPolarHBondContact O-CA 3.43Å; T390-L393 PolarHBondContact O-N 3.36Å; L393-A395 VanDerWaalsContact C-N 3.35Å; L393-V396 PolarHBondContact O-N 3.08Å; L393-L397 WeakPolarHBondContact O-CB 3.26Å; L393-L397 PolarHBondContact O-N 3.37Å; L393-E771 WeakPolarHBondContact CD2-OE2 3.36Å; L393-K774 HydrophobicContact CD1-CB 4.25Å; L393-K774 HydrophobicContact CD2-CB 4.13Å; L393-K774 HydrophobicContact CD2-CD 4.13Å; L393-M775 HydrophobicContact CB-CG 4.4Å; L393-V778 HydrophobicContact CD1-CG2 4.4Å
394S79.5Confident81.9Confident40 Ų4073.6 Ų73.628%0.2837%0.371SS..Hα-helixtrans-61.3-44.1175-166.30000110.1T390 V396 L397 D398T390-S394 WeakPolarHBondContact O-CB 3.4Å; T390-S394 PolarHBondContact O-N 3.31Å; S394-V396 VanDerWaalsContact C-N 3.35Å; S394-V396 PolarHBondContact O-N 3.49Å; S394-L397 PolarHBondContact O-N 3.46Å; S394-D398 WeakPolarHBondContact O-CB 3.4Å; S394-D398 PolarHBondContact O-N 3.41Å
395A81.2Confident82.3Confident46 Ų4671.1 Ų71.138%0.3836%0.362SS..Hα-helixtrans-62-40.8175.700000112.5S391 H392 L393 N399S391-A395 WeakPolarHBondContact O-CB 3.39Å; S391-A395 PolarHBondContact O-N 2.91Å; H392-A395 PolarHBondContact O-N 2.81Å; L393-A395 VanDerWaalsContact C-N 3.35Å; A395-N399 WeakPolarHBondContact O-CB 3.36Å; A395-N399 VanDerWaalsContact O-CG 3.23Å; A395-N399 PolarHBondContact O-N 3.49Å; A395-N399 PolarHBondContact O-ND2 3.5Å
396V85.8Confident82.6Confident46 Ų4671.2 Ų71.228%0.27936%0.363SS..Hα-helixtrans-67.3-42.4175.6175.50000111.3H392 L393 S394 N399 L400 E771H392-V396 WeakPolarHBondContact O-CG2 3.49Å; H392-V396 PolarHBondContact O-N 2.79Å; L393-V396 PolarHBondContact O-N 3.08Å; S394-V396 VanDerWaalsContact C-N 3.35Å; S394-V396 PolarHBondContact O-N 3.49Å; V396-N399 PolarHBondContact O-N 3.1Å; V396-L400 HydrophobicContact CG1-CD1 4.1Å; V396-L400 WeakPolarHBondContact O-CB 3.42Å; V396-L400 WeakPolarHBondContact O-CG 3.32Å; V396-L400 PolarHBondContact O-N 3.14Å; V396-E771 HydrophobicContact CG1-CG 4.06Å
397L85.4Confident83Confident10 Ų1072.3 Ų72.35%0.05237%0.368CS..Hα-helixtrans-70.8-35.1-178.7-166.1150.5000111.7L393 S394 N401 E771 K772 M775L393-L397 WeakPolarHBondContact O-CB 3.26Å; L393-L397 PolarHBondContact O-N 3.37Å; S394-L397 PolarHBondContact O-N 3.46Å; L397-N401 WeakPolarHBondContact CD2-ND2 3.33Å; L397-N401 WeakPolarHBondContact O-CB 3.4Å; L397-N401 VanDerWaalsContact O-CG 3.27Å; L397-N401 PolarHBondContact O-N 3.19Å; L397-N401 PolarHBondContact O-ND2 2.84Å; L397-E771 HydrophobicContact CD1-CB 4.28Å; L397-K772 HydrophobicContact CD1-CB 4.25Å; L397-K772 HydrophobicContact CD1-CG 3.56Å; L397-K772 HydrophobicContact CG-CG 4.34Å; L397-M775 HydrophobicContact CD1-SD 4.12Å
398D82.4Confident83.7Confident91 Ų9173.6 Ų73.649%0.48736%0.363SS..Hα-helixtrans-66.7-41.5171.5-73.4-25.5000110.6S394 R402S394-D398 WeakPolarHBondContact O-CB 3.4Å; S394-D398 PolarHBondContact O-N 3.41Å; D398-R402 WeakPolarHBondContact O-CB 3.35Å; D398-R402 PolarHBondContact O-N 3.36Å
399N85.7Confident84.1Confident96 Ų9671.9 Ų71.951%0.51336%0.358SS..Hα-helixtrans-63.6-46.9173.2-74.2-22.2000111.8A395 V396 R402 E403A395-N399 WeakPolarHBondContact O-CB 3.36Å; A395-N399 VanDerWaalsContact O-CG 3.23Å; A395-N399 PolarHBondContact O-N 3.49Å; A395-N399 PolarHBondContact O-ND2 3.5Å; V396-N399 PolarHBondContact O-N 3.1Å; N399-R402 WeakPolarHBondContact O-CB 3.42Å; N399-R402 PolarHBondContact O-N 3.08Å; N399-E403 PolarHBondContact O-N 2.93Å
400L86.9Confident84.5Confident26 Ų2668.5 Ų68.514%0.13635%0.351CS..Hα-helixtrans-64.8-40.5177.2-77.9169.9000112.4V396 R402 E403 Y404 L764 V768 E771V396-L400 HydrophobicContact CG1-CD1 4.1Å; V396-L400 WeakPolarHBondContact O-CB 3.42Å; V396-L400 WeakPolarHBondContact O-CG 3.32Å; V396-L400 PolarHBondContact O-N 3.14Å; L400-R402 VanDerWaalsContact C-N 3.32Å; L400-E403 PolarHBondContact O-N 2.68Å; L400-Y404 VanDerWaalsContact O-CB 3.28Å; L400-Y404 WeakPolarHBondContact O-CB 3.42Å; L400-Y404 PolarHBondContact O-N 2.59Å; L400-L764 HydrophobicContact CD2-CD2 3.93Å; L400-V768 HydrophobicContact CB-CG2 3.73Å; L400-E771 HydrophobicContact CD1-CB 4.42Å; L400-E771 HydrophobicContact CD1-CG 3.78Å
401N85.1Confident85.1Confident43 Ų4371 Ų7123%0.2336%0.36CS..Hα-helixtrans-67.1-36.1174.4-82.6-31.2000111.3L397 Y404 N405 V768L397-N401 WeakPolarHBondContact CD2-ND2 3.33Å; L397-N401 WeakPolarHBondContact O-CB 3.4Å; L397-N401 VanDerWaalsContact O-CG 3.27Å; L397-N401 PolarHBondContact O-N 3.19Å; L397-N401 PolarHBondContact O-ND2 2.84Å; N401-Y404 PolarHBondContact O-N 2.92Å; N401-N405 WeakPolarHBondContact O-CB 3.3Å; N401-N405 PolarHBondContact O-N 3.21Å; N401-N405 PolarHBondContact O-ND2 3.04Å; N401-N405 VanDerWaalsContact O-ND2 3.11Å; N401-V768 WeakPolarHBondContact OD1-CG1 3.2Å
402R84.4Confident85.5Confident163 Ų16370.2 Ų70.262%0.61535%0.35SS*.Hα-helixtrans-64.1-48174.6-174.3179.8179.8169.75.7110.2D398 N399 L400 Y404 N405 E406D398-R402 WeakPolarHBondContact O-CB 3.35Å; D398-R402 PolarHBondContact O-N 3.36Å; N399-R402 WeakPolarHBondContact O-CB 3.42Å; N399-R402 PolarHBondContact O-N 3.08Å; L400-R402 VanDerWaalsContact C-N 3.32Å; R402-Y404 PolarHBondContact O-N 3.4Å; R402-N405 PolarHBondContact O-N 3.13Å; R402-E406 WeakPolarHBondContact CG-OE1 3.41Å; R402-E406 IonicContact NE-OE1 3.77Å; R402-E406 PolarHBondContact NE-OE1 2.91Å; R402-E406 WeakPolarHBondContact O-CB 3.32Å; R402-E406 VanDerWaalsContact O-CG 3.24Å; R402-E406 WeakPolarHBondContact O-CG 3.25Å; R402-E406 PolarHBondContact O-N 2.96Å
403E87.2Confident85.7Confident94 Ų9465.7 Ų65.744%0.43934%0.337SS..Hα-helixtrans-61.5-42.4174.2-73.8-175-161.800112.1N399 L400 E406 Q407 L764N399-E403 PolarHBondContact O-N 2.93Å; L400-E403 PolarHBondContact O-N 2.68Å; E403-E406 PolarHBondContact O-N 3.43Å; E403-Q407 WeakPolarHBondContact O-CG 3.18Å; E403-Q407 PolarHBondContact O-N 3.49Å; E403-L764 HydrophobicContact CB-CD1 4.05Å; E403-L764 HydrophobicContact CB-CD2 4.09Å; E403-L764 WeakPolarHBondContact OE2-CD2 3.46Å
404Y89.6Confident86Confident50 Ų5065.5 Ų65.520%0.19634%0.336CS..Hα-helixtrans-63.4-43.7176.5178.1-93.5000111.7L400 N401 R402 Q407 K408 M761 L764 Q765L400-Y404 VanDerWaalsContact O-CB 3.28Å; L400-Y404 WeakPolarHBondContact O-CB 3.42Å; L400-Y404 PolarHBondContact O-N 2.59Å; N401-Y404 PolarHBondContact O-N 2.92Å; R402-Y404 PolarHBondContact O-N 3.4Å; Y404-Q407 PolarHBondContact O-N 2.92Å; Y404-K408 HydrophobicContact CE1-CD 4.28Å; Y404-K408 VanDerWaalsContact O-CB 3.23Å; Y404-K408 WeakPolarHBondContact O-CB 3.45Å; Y404-K408 PolarHBondContact O-N 2.99Å; Y404-M761 HydrophobicContact CE2-CB 4.14Å; Y404-M761 HydrophobicContact CE2-CE 3.96Å; Y404-M761 HydrophobicContact CE2-CG 4.49Å; Y404-L764 HydrophobicContact CD2-CB 4.17Å; Y404-Q765 HydrophobicContact CD2-CB 4.42Å; Y404-Q765 HydrophobicContact CE2-CB 4.05Å; Y404-Q765 VanDerWaalsContact CE2-OE1 3.3Å; Y404-Q765 VanDerWaalsContact CZ-OE1 3.23Å; Y404-Q765 PolarHBondContact OH-OE1 3.16Å
405N85.6Confident86.4Confident78 Ų7868.6 Ų68.642%0.41734%0.343SS..Hα-helixtrans-67.8-38.3176.8-72.1-29000111.4N401 R402 K408 D409N401-N405 WeakPolarHBondContact O-CB 3.3Å; N401-N405 PolarHBondContact O-N 3.21Å; N401-N405 PolarHBondContact O-ND2 3.04Å; N401-N405 VanDerWaalsContact O-ND2 3.11Å; R402-N405 PolarHBondContact O-N 3.13Å; N405-K408 PolarHBondContact O-N 3.09Å; N405-D409 WeakPolarHBondContact O-CB 3.35Å; N405-D409 PolarHBondContact O-N 3.35Å
406E85.6Confident86.7Confident101 Ų10173.6 Ų73.647%0.47235%0.352SS..Hα-helixtrans-62.6-43.1173.3-75.7172.2-170.300111.3R402 E403 L410R402-E406 WeakPolarHBondContact CG-OE1 3.41Å; R402-E406 IonicContact NE-OE1 3.77Å; R402-E406 PolarHBondContact NE-OE1 2.91Å; R402-E406 WeakPolarHBondContact O-CB 3.32Å; R402-E406 VanDerWaalsContact O-CG 3.24Å; R402-E406 WeakPolarHBondContact O-CG 3.25Å; R402-E406 PolarHBondContact O-N 2.96Å; E403-E406 PolarHBondContact O-N 3.43Å; E406-L410 WeakPolarHBondContact O-CB 3.13Å; E406-L410 PolarHBondContact O-N 3.04Å
407Q88.2Confident86.8Confident33 Ų3377 Ų7715%0.15436%0.359CS..Hα-helixtrans-67.9-36.8173.9-68.7-55.4-54.600112.6E403 Y404 L410 Y411 K760 M761 L764E403-Q407 WeakPolarHBondContact O-CG 3.18Å; E403-Q407 PolarHBondContact O-N 3.49Å; Y404-Q407 PolarHBondContact O-N 2.92Å; Q407-L410 PolarHBondContact O-N 3.13Å; Q407-Y411 WeakPolarHBondContact O-CB 3.4Å; Q407-Y411 PolarHBondContact O-N 3.35Å; Q407-K760 HydrophobicContact CG-CD 4.27Å; Q407-K760 HydrophobicContact CG-CG 4.32Å; Q407-M761 HydrophobicContact CB-CG 3.71Å; Q407-L764 HydrophobicContact CB-CD1 4.4Å; Q407-L764 HydrophobicContact CG-CD1 3.74Å
408K88.5Confident87Confident86 Ų8678.5 Ų78.537%0.37437%0.365SS..Hα-helixtrans-67.4-43.4176.1-176-176.3172.5-167.70111.6Y404 N405 L410 Y411 D412 M761Y404-K408 HydrophobicContact CE1-CD 4.28Å; Y404-K408 VanDerWaalsContact O-CB 3.23Å; Y404-K408 WeakPolarHBondContact O-CB 3.45Å; Y404-K408 PolarHBondContact O-N 2.99Å; N405-K408 PolarHBondContact O-N 3.09Å; K408-L410 VanDerWaalsContact C-N 3.29Å; K408-L410 PolarHBondContact O-N 3.31Å; K408-Y411 CarbonylContact O-C 3.55Å; K408-Y411 WeakPolarHBondContact O-CB 3.41Å; K408-Y411 PolarHBondContact O-N 3.11Å; K408-D412 WeakPolarHBondContact O-CB 3.36Å; K408-D412 PolarHBondContact O-N 3.15Å; K408-M761 HydrophobicContact CB-CE 3.78Å; K408-M761 HydrophobicContact CB-SD 4.42Å; K408-M761 HydrophobicContact CG-CE 3.94Å
409D85.8Confident87.2Confident101 Ų10177.2 Ų77.254%0.5436%0.359SS..Hα-helixtrans-63.9-38.9176.3-74.2-17.8000110.4N405 D412 A413N405-D409 WeakPolarHBondContact O-CB 3.35Å; N405-D409 PolarHBondContact O-N 3.35Å; D409-D412 PolarHBondContact O-N 3.1Å; D409-A413 VanDerWaalsContact O-CB 3.24Å; D409-A413 WeakPolarHBondContact O-CB 3.46Å; D409-A413 PolarHBondContact O-N 3.06Å
410L87.3Confident87.3Confident80 Ų8077.6 Ų77.642%0.41936%0.357SS..Hα-helixtrans-63.8-44.5171.6-17762.5000111.7E406 Q407 K408 A413 L414E406-L410 WeakPolarHBondContact O-CB 3.13Å; E406-L410 PolarHBondContact O-N 3.04Å; Q407-L410 PolarHBondContact O-N 3.13Å; K408-L410 VanDerWaalsContact C-N 3.29Å; K408-L410 PolarHBondContact O-N 3.31Å; L410-A413 PolarHBondContact O-N 3.43Å; L410-L414 HydrophobicContact CD1-CD1 4.35Å; L410-L414 HydrophobicContact CD1-CG 4.33Å; L410-L414 HydrophobicContact CG-CD1 4.12Å; L410-L414 HydrophobicContact CG-CG 4.5Å; L410-L414 WeakPolarHBondContact O-CB 3.3Å; L410-L414 VanDerWaalsContact O-CG 3.29Å; L410-L414 WeakPolarHBondContact O-CG 2.96Å; L410-L414 PolarHBondContact O-N 3.4Å
411Y91.7Very high87.3Confident56 Ų5676.6 Ų76.622%0.2235%0.352CS..Hα-helixtrans-60.7-47174.8178.6-85.2000111.4Q407 K408 A413 L414 Y415 L754 C757 Q758 M761Q407-Y411 WeakPolarHBondContact O-CB 3.4Å; Q407-Y411 PolarHBondContact O-N 3.35Å; K408-Y411 CarbonylContact O-C 3.55Å; K408-Y411 WeakPolarHBondContact O-CB 3.41Å; K408-Y411 PolarHBondContact O-N 3.11Å; Y411-A413 VanDerWaalsContact C-N 3.3Å; Y411-A413 PolarHBondContact O-N 3.37Å; Y411-L414 PolarHBondContact O-N 3.38Å; Y411-Y415 HydrophobicContact CE1-CD2 4.43Å; Y411-Y415 WeakPolarHBondContact O-CB 3.43Å; Y411-Y415 PolarHBondContact O-N 3.32Å; Y411-L754 HydrophobicContact CD2-CD2 3.54Å; Y411-L754 HydrophobicContact CE2-CD2 3.53Å; Y411-L754 HydrophobicContact CG-CD2 4.09Å; Y411-C757 HydrophobicContact CD2-CB 4.38Å; Y411-Q758 HydrophobicContact CE2-CB 4.25Å; Y411-M761 HydrophobicContact CD2-SD 4.31Å; Y411-M761 HydrophobicContact CG-SD 4.02Å
412D86.9Confident87.4Confident59 Ų5978.1 Ų78.132%0.31636%0.358SS..Hα-helixtrans-66.8-31.7178.8-74.5-16.2000111.7K408 D409 R416K408-D412 WeakPolarHBondContact O-CB 3.36Å; K408-D412 PolarHBondContact O-N 3.15Å; D409-D412 PolarHBondContact O-N 3.1Å; D412-R416 WeakPolarHBondContact O-CB 3.48Å; D412-R416 VanDerWaalsContact O-CG 3.28Å; D412-R416 WeakPolarHBondContact O-CG 3.33Å; D412-R416 PolarHBondContact O-N 3.22Å; D412-R416 PolarHBondContact O-NE 3.4Å
413A84.6Confident87.5Confident46 Ų4672.5 Ų72.538%0.3834%0.344SS..Hα-helixtrans-70.3-46.9172.300000111.7D409 L410 Y411 Y415 R416 R417D409-A413 VanDerWaalsContact O-CB 3.24Å; D409-A413 WeakPolarHBondContact O-CB 3.46Å; D409-A413 PolarHBondContact O-N 3.06Å; L410-A413 PolarHBondContact O-N 3.43Å; Y411-A413 VanDerWaalsContact C-N 3.3Å; Y411-A413 PolarHBondContact O-N 3.37Å; A413-Y415 VanDerWaalsContact C-N 3.34Å; A413-Y415 PolarHBondContact O-N 2.86Å; A413-R416 PolarHBondContact O-N 2.79Å; A413-R417 WeakPolarHBondContact O-CB 3.16Å; A413-R417 PolarHBondContact O-N 2.86Å
414L88.7Confident87.4Confident31 Ų3170.3 Ų70.316%0.16234%0.338CS..Hα-helixtrans-65.3-36.1175.7-71.4173.6000111.9L410 Y411 R417 K418 V750 L754L410-L414 HydrophobicContact CD1-CD1 4.35Å; L410-L414 HydrophobicContact CD1-CG 4.33Å; L410-L414 HydrophobicContact CG-CD1 4.12Å; L410-L414 HydrophobicContact CG-CG 4.5Å; L410-L414 WeakPolarHBondContact O-CB 3.3Å; L410-L414 VanDerWaalsContact O-CG 3.29Å; L410-L414 WeakPolarHBondContact O-CG 2.96Å; L410-L414 PolarHBondContact O-N 3.4Å; Y411-L414 PolarHBondContact O-N 3.38Å; L414-R417 CarbonylContact O-C 3.6Å; L414-R417 WeakPolarHBondContact O-CB 3.28Å; L414-R417 PolarHBondContact O-N 2.83Å; L414-K418 WeakPolarHBondContact O-CB 3.39Å; L414-K418 PolarHBondContact O-N 3.34Å; L414-V750 HydrophobicContact CD2-CG1 4.48Å; L414-V750 WeakPolarHBondContact O-CG1 3.4Å; L414-L754 HydrophobicContact CB-CD2 3.78Å; L414-L754 HydrophobicContact CB-CG 3.91Å
415Y88.2Confident87.4Confident105 Ų10569.6 Ų69.641%0.41234%0.338SS..Hα-helixtrans-69.5-39.8177-170.6-95.1000111.3Y411 A413 R417 K418 N419Y411-Y415 HydrophobicContact CE1-CD2 4.43Å; Y411-Y415 WeakPolarHBondContact O-CB 3.43Å; Y411-Y415 PolarHBondContact O-N 3.32Å; A413-Y415 VanDerWaalsContact C-N 3.34Å; A413-Y415 PolarHBondContact O-N 2.86Å; Y415-R417 VanDerWaalsContact C-N 3.34Å; Y415-K418 WeakPolarHBondContact O-CB 3.42Å; Y415-K418 PolarHBondContact O-N 2.8Å; Y415-N419 WeakPolarHBondContact CD1-ND2 3.31Å; Y415-N419 WeakPolarHBondContact CE1-ND2 3.49Å; Y415-N419 PolarHBondContact O-N 2.79Å; Y415-N419 PolarHBondContact O-ND2 3.47Å
416R87.4Confident87.4Confident151 Ų15172.9 Ų72.957%0.5735%0.349SS*.Hα-helixtrans-61.2-44.1169.2-80.5179.1-82.6-165-3.5111.3D412 A413 K418 N419 E420D412-R416 WeakPolarHBondContact O-CB 3.48Å; D412-R416 VanDerWaalsContact O-CG 3.28Å; D412-R416 WeakPolarHBondContact O-CG 3.33Å; D412-R416 PolarHBondContact O-N 3.22Å; D412-R416 PolarHBondContact O-NE 3.4Å; A413-R416 PolarHBondContact O-N 2.79Å; R416-K418 PolarHBondContact O-N 3.46Å; R416-N419 PolarHBondContact O-N 3.49Å; R416-E420 WeakPolarHBondContact O-CG 3.25Å; R416-E420 PolarHBondContact O-N 3.36Å
417R87.1Confident87.5Confident117 Ų11775.7 Ų75.744%0.44236%0.355SS..Hα-helixtrans-62.4-40.8176.3-174.258.5178.7178.12.9112.1A413 L414 Y415 E420 I421 V750A413-R417 WeakPolarHBondContact O-CB 3.16Å; A413-R417 PolarHBondContact O-N 2.86Å; L414-R417 CarbonylContact O-C 3.6Å; L414-R417 WeakPolarHBondContact O-CB 3.28Å; L414-R417 PolarHBondContact O-N 2.83Å; Y415-R417 VanDerWaalsContact C-N 3.34Å; R417-E420 IonicContact NH1-OE2 3.68Å; R417-E420 PolarHBondContact NH1-OE2 2.85Å; R417-E420 WeakPolarHBondContact O-CB 3.36Å; R417-E420 PolarHBondContact O-N 2.97Å; R417-I421 HydrophobicContact CG-CD1 3.87Å; R417-I421 HydrophobicContact CG-CG1 4.41Å; R417-I421 WeakPolarHBondContact O-CB 3.41Å; R417-I421 VanDerWaalsContact O-CG1 3.26Å; R417-I421 WeakPolarHBondContact O-CG1 3.44Å; R417-I421 PolarHBondContact O-N 2.85Å; R417-V750 HydrophobicContact CG-CG2 4.3Å
418K90.3Very high87.4Confident41 Ų4176.1 Ų76.118%0.17836%0.356CS..Hα-helixtrans-56.1-52.2171.9177.5179.9166.8154.70110.6L414 Y415 R416 E420 I421 E422 L747 V750 E751 L754L414-K418 WeakPolarHBondContact O-CB 3.39Å; L414-K418 PolarHBondContact O-N 3.34Å; Y415-K418 WeakPolarHBondContact O-CB 3.42Å; Y415-K418 PolarHBondContact O-N 2.8Å; R416-K418 PolarHBondContact O-N 3.46Å; K418-E420 VanDerWaalsContact C-N 3.3Å; K418-E420 PolarHBondContact O-N 3.32Å; K418-I421 PolarHBondContact O-N 3.25Å; K418-E422 WeakPolarHBondContact CE-OE1 3.49Å; K418-E422 HydrophobicContact CG-CG 4.32Å; K418-E422 IonicContact NZ-OE1 3.99Å; K418-E422 WeakPolarHBondContact O-CB 3.22Å; K418-E422 WeakPolarHBondContact O-CG 3.35Å; K418-E422 PolarHBondContact O-N 3.28Å; K418-L747 HydrophobicContact CG-CD1 3.84Å; K418-V750 HydrophobicContact CB-CG1 4.04Å; K418-E751 HydrophobicContact CD-CG 4.26Å; K418-E751 WeakPolarHBondContact CE-OE1 3.3Å; K418-E751 IonicContact NZ-OE1 2.67Å; K418-E751 PolarHBondContact NZ-OE1 3.12Å; K418-L754 HydrophobicContact CB-CD1 3.98Å; K418-L754 HydrophobicContact CD-CD1 3.68Å; K418-L754 HydrophobicContact CG-CD1 4.37Å
419N86.9Confident87.3Confident65 Ų6576.5 Ų76.535%0.34836%0.359SS..Hα-helixtrans-62.1-36.1178.8-66.4-33.7000112.5Y415 R416 S423Y415-N419 WeakPolarHBondContact CD1-ND2 3.31Å; Y415-N419 WeakPolarHBondContact CE1-ND2 3.49Å; Y415-N419 PolarHBondContact O-N 2.79Å; Y415-N419 PolarHBondContact O-ND2 3.47Å; R416-N419 PolarHBondContact O-N 3.49Å; N419-S423 VanDerWaalsContact O-CB 3.28Å; N419-S423 WeakPolarHBondContact O-CB 3.33Å; N419-S423 PolarHBondContact O-N 2.93Å
420E86.3Confident87.3Confident103 Ų10375.1 Ų75.148%0.48135%0.354SS..Hα-helixtrans-64-49174-74.6172.5-17200111.6R416 R417 K418 S423 S424R416-E420 WeakPolarHBondContact O-CG 3.25Å; R416-E420 PolarHBondContact O-N 3.36Å; R417-E420 IonicContact NH1-OE2 3.68Å; R417-E420 PolarHBondContact NH1-OE2 2.85Å; R417-E420 WeakPolarHBondContact O-CB 3.36Å; R417-E420 PolarHBondContact O-N 2.97Å; K418-E420 VanDerWaalsContact C-N 3.3Å; K418-E420 PolarHBondContact O-N 3.32Å; E420-S423 PolarHBondContact O-N 3.44Å; E420-S423 PolarHBondContact O-OG 3.23Å; E420-S424 PolarHBondContact O-N 3.44Å
421I86.9Confident87.2Confident6 Ų674.8 Ų74.83%0.03135%0.351CS..Hα-helixtrans-62.9-45.6178-67.8170.1000110.3R417 K418 S423 S424 L425 I743 E746 L747 V750R417-I421 HydrophobicContact CG-CD1 3.87Å; R417-I421 HydrophobicContact CG-CG1 4.41Å; R417-I421 WeakPolarHBondContact O-CB 3.41Å; R417-I421 VanDerWaalsContact O-CG1 3.26Å; R417-I421 WeakPolarHBondContact O-CG1 3.44Å; R417-I421 PolarHBondContact O-N 2.85Å; K418-I421 PolarHBondContact O-N 3.25Å; I421-S423 VanDerWaalsContact C-N 3.3Å; I421-S423 PolarHBondContact O-N 2.95Å; I421-S424 CarbonylContact O-C 3.6Å; I421-S424 WeakPolarHBondContact O-CB 3.13Å; I421-S424 PolarHBondContact O-N 2.9Å; I421-S424 VanDerWaalsContact O-N 3.09Å; I421-L425 WeakPolarHBondContact O-CB 3.4Å; I421-L425 PolarHBondContact O-N 3.01Å; I421-I743 HydrophobicContact CG2-CG2 3.69Å; I421-E746 HydrophobicContact CD1-CB 4.25Å; I421-L747 HydrophobicContact CB-CD1 4.47Å; I421-L747 HydrophobicContact CG2-CB 3.82Å; I421-L747 HydrophobicContact CG2-CD1 4.07Å; I421-V750 HydrophobicContact CD1-CB 4.46Å; I421-V750 HydrophobicContact CD1-CG2 3.79Å
422E88.4Confident87Confident74 Ų7472.7 Ų72.735%0.34634%0.343SS..Hα-helixtrans-59.7-40.3174-74.8-178.9165.300111.7K418 S424 L425 K426 L747K418-E422 WeakPolarHBondContact CE-OE1 3.49Å; K418-E422 HydrophobicContact CG-CG 4.32Å; K418-E422 IonicContact NZ-OE1 3.99Å; K418-E422 WeakPolarHBondContact O-CB 3.22Å; K418-E422 WeakPolarHBondContact O-CG 3.35Å; K418-E422 PolarHBondContact O-N 3.28Å; E422-S424 VanDerWaalsContact C-N 3.32Å; E422-S424 PolarHBondContact O-N 2.97Å; E422-L425 PolarHBondContact O-N 3.41Å; E422-K426 VanDerWaalsContact O-CB 3.31Å; E422-K426 WeakPolarHBondContact O-CB 3.29Å; E422-K426 PolarHBondContact O-N 3.5Å; E422-L747 HydrophobicContact CG-CD1 3.84Å; E422-L747 HydrophobicContact CG-CD2 4.28Å
423S86.9Confident87Confident46 Ų4673.3 Ų73.332%0.32235%0.347SS..Hα-helixtrans-66.9-35175.385.20000112.3N419 E420 I421 R427N419-S423 VanDerWaalsContact O-CB 3.28Å; N419-S423 WeakPolarHBondContact O-CB 3.33Å; N419-S423 PolarHBondContact O-N 2.93Å; E420-S423 PolarHBondContact O-N 3.44Å; E420-S423 PolarHBondContact O-OG 3.23Å; I421-S423 VanDerWaalsContact C-N 3.3Å; I421-S423 PolarHBondContact O-N 2.95Å; S423-R427 VanDerWaalsContact O-CG 3.26Å; S423-R427 WeakPolarHBondContact O-CG 3.18Å; S423-R427 PolarHBondContact O-N 3.35Å
424S85.2Confident87.1Confident47 Ų4777.1 Ų77.133%0.32936%0.357SS..Hα-helixtrans-69.7-44.7175.8-167.60000110.8E420 I421 E422 K426 R427 K428E420-S424 PolarHBondContact O-N 3.44Å; I421-S424 CarbonylContact O-C 3.6Å; I421-S424 WeakPolarHBondContact O-CB 3.13Å; I421-S424 PolarHBondContact O-N 2.9Å; I421-S424 VanDerWaalsContact O-N 3.09Å; E422-S424 VanDerWaalsContact C-N 3.32Å; E422-S424 PolarHBondContact O-N 2.97Å; S424-K426 VanDerWaalsContact C-N 3.35Å; S424-K426 PolarHBondContact O-N 3.4Å; S424-R427 WeakPolarHBondContact O-CB 3.21Å; S424-R427 PolarHBondContact O-N 3.17Å; S424-K428 PolarHBondContact O-N 2.98Å
425L88.1Confident87Confident35 Ų3576.8 Ų76.818%0.18336%0.355CS..Hα-helixtrans-59.3-46.5175.3-171.867.3000110.6I421 E422 R427 K428 E429 M740 I743 L747I421-L425 WeakPolarHBondContact O-CB 3.4Å; I421-L425 PolarHBondContact O-N 3.01Å; E422-L425 PolarHBondContact O-N 3.41Å; L425-R427 VanDerWaalsContact C-N 3.35Å; L425-R427 PolarHBondContact O-N 3.06Å; L425-K428 PolarHBondContact O-N 3.3Å; L425-E429 VanDerWaalsContact O-CB 3.29Å; L425-E429 WeakPolarHBondContact O-CB 3.47Å; L425-E429 PolarHBondContact O-N 3.24Å; L425-M740 HydrophobicContact CD1-CB 4.34Å; L425-M740 HydrophobicContact CD1-CE 4.06Å; L425-M740 HydrophobicContact CD1-CG 4.33Å; L425-I743 HydrophobicContact CB-CG2 3.81Å; L425-I743 HydrophobicContact CD1-CB 4.2Å; L425-I743 HydrophobicContact CD1-CG2 3.96Å; L425-I743 HydrophobicContact CG-CG2 4.46Å; L425-L747 HydrophobicContact CD2-CD2 4.34Å
426K87.2Confident86.9Confident148 Ų14876 Ų7664%0.64335%0.354SS*.Hα-helixtrans-62.9-38.8176.6-169.1174.7-176.3176.90112.2E422 S424 E429 T430E422-K426 VanDerWaalsContact O-CB 3.31Å; E422-K426 WeakPolarHBondContact O-CB 3.29Å; E422-K426 PolarHBondContact O-N 3.5Å; S424-K426 VanDerWaalsContact C-N 3.35Å; S424-K426 PolarHBondContact O-N 3.4Å; K426-E429 PolarHBondContact O-N 3.37Å; K426-T430 WeakPolarHBondContact O-CG2 3.31Å; K426-T430 PolarHBondContact O-N 2.86Å; K426-T430 PolarHBondContact O-OG1 3.38Å
427R87.3Confident86.9Confident159 Ų15975.2 Ų75.260%0.635%0.354SS*.Hα-helixtrans-63.5-47.5174-76.3178.2-134.6-156.36111.4S423 S424 L425 E429 T430 E431S423-R427 VanDerWaalsContact O-CG 3.26Å; S423-R427 WeakPolarHBondContact O-CG 3.18Å; S423-R427 PolarHBondContact O-N 3.35Å; S424-R427 WeakPolarHBondContact O-CB 3.21Å; S424-R427 PolarHBondContact O-N 3.17Å; L425-R427 VanDerWaalsContact C-N 3.35Å; L425-R427 PolarHBondContact O-N 3.06Å; R427-E429 VanDerWaalsContact C-N 3.31Å; R427-E429 PolarHBondContact O-N 2.99Å; R427-T430 WeakPolarHBondContact CA-OG1 3.44Å; R427-T430 PolarHBondContact O-N 2.8Å; R427-T430 VanDerWaalsContact O-N 3.14Å; R427-T430 PolarHBondContact O-OG1 3Å; R427-E431 WeakPolarHBondContact O-CG 3.48Å; R427-E431 PolarHBondContact O-N 3.12Å
428K86Confident86.9Confident43 Ų4374.3 Ų74.319%0.18735%0.351CS..Hα-helixtrans-64.9-35.9177.4-70.6-66.1176.8178.90112.7S424 L425 E431 L432 E739 M740 I743S424-K428 PolarHBondContact O-N 2.98Å; L425-K428 PolarHBondContact O-N 3.3Å; K428-E431 WeakPolarHBondContact CD-OE2 3.35Å; K428-E431 IonicContact NZ-OE2 2.64Å; K428-E431 PolarHBondContact NZ-OE2 3.42Å; K428-E431 PolarHBondContact O-N 3.44Å; K428-L432 VanDerWaalsContact O-CB 3.32Å; K428-L432 WeakPolarHBondContact O-CB 3.46Å; K428-L432 PolarHBondContact O-N 2.84Å; K428-E739 WeakPolarHBondContact CE-OE2 3.13Å; K428-E739 IonicContact NZ-OE2 3.56Å; K428-E739 PolarHBondContact NZ-OE2 3.04Å; K428-M740 HydrophobicContact CB-CG 3.7Å; K428-I743 HydrophobicContact CB-CD1 4.48Å; K428-I743 HydrophobicContact CG-CD1 3.79Å
429E86.1Confident86.7Confident94 Ų9473.4 Ų73.444%0.43935%0.348SS..Hα-helixtrans-64.1-40.3171.7-170.5-178.7-172.500111.7L425 K426 R427 L432 N433 M740L425-E429 VanDerWaalsContact O-CB 3.29Å; L425-E429 WeakPolarHBondContact O-CB 3.47Å; L425-E429 PolarHBondContact O-N 3.24Å; K426-E429 PolarHBondContact O-N 3.37Å; R427-E429 VanDerWaalsContact C-N 3.31Å; R427-E429 PolarHBondContact O-N 2.99Å; E429-L432 PolarHBondContact O-N 3.01Å; E429-N433 WeakPolarHBondContact O-CB 3.46Å; E429-N433 PolarHBondContact O-N 3.13Å; E429-N433 PolarHBondContact O-ND2 2.84Å; E429-M740 HydrophobicContact CB-CE 3.88Å; E429-M740 HydrophobicContact CB-SD 4.22Å; E429-M740 HydrophobicContact CG-CE 4.16Å
430T86.9Confident86.8Confident71 Ų7175.5 Ų75.544%0.43636%0.356SS..Hα-helixtrans-65-43.8172.852.10000112.3K426 R427 L432 N433 E434K426-T430 WeakPolarHBondContact O-CG2 3.31Å; K426-T430 PolarHBondContact O-N 2.86Å; K426-T430 PolarHBondContact O-OG1 3.38Å; R427-T430 WeakPolarHBondContact CA-OG1 3.44Å; R427-T430 PolarHBondContact O-N 2.8Å; R427-T430 VanDerWaalsContact O-N 3.14Å; R427-T430 PolarHBondContact O-OG1 3Å; T430-L432 PolarHBondContact O-N 3.46Å; T430-N433 PolarHBondContact O-N 3.29Å; T430-E434 WeakPolarHBondContact O-CB 3.4Å; T430-E434 WeakPolarHBondContact O-CG 3.37Å; T430-E434 PolarHBondContact O-N 3.16Å
431E85.3Confident86.8Confident74 Ų7477.7 Ų77.735%0.34636%0.364SS..Hα-helixtrans-61.5-43175.5-72.6176-167.600111.5R427 K428 E434 N435R427-E431 WeakPolarHBondContact O-CG 3.48Å; R427-E431 PolarHBondContact O-N 3.12Å; K428-E431 WeakPolarHBondContact CD-OE2 3.35Å; K428-E431 IonicContact NZ-OE2 2.64Å; K428-E431 PolarHBondContact NZ-OE2 3.42Å; K428-E431 PolarHBondContact O-N 3.44Å; E431-E434 PolarHBondContact O-N 3.43Å; E431-N435 WeakPolarHBondContact O-CB 3.28Å; E431-N435 PolarHBondContact O-N 3.36Å; E431-N435 PolarHBondContact O-ND2 3.09Å
432L86.2Confident86.9Confident12 Ų1278.5 Ų78.56%0.06337%0.368CS..Hα-helixtrans-61.2-45.6175.1-174.872.9000110.9K428 E429 T430 N435 K436 L733 N736 E737 M740K428-L432 VanDerWaalsContact O-CB 3.32Å; K428-L432 WeakPolarHBondContact O-CB 3.46Å; K428-L432 PolarHBondContact O-N 2.84Å; E429-L432 PolarHBondContact O-N 3.01Å; T430-L432 PolarHBondContact O-N 3.46Å; L432-N435 PolarHBondContact O-N 2.9Å; L432-K436 HydrophobicContact CG-CD 4.26Å; L432-K436 WeakPolarHBondContact O-CB 3.32Å; L432-K436 VanDerWaalsContact O-CG 3.3Å; L432-K436 WeakPolarHBondContact O-CG 3.34Å; L432-K436 PolarHBondContact O-N 3.34Å; L432-L733 HydrophobicContact CD1-CD2 3.65Å; L432-N736 HydrophobicContact CB-CB 4.47Å; L432-N736 HydrophobicContact CD1-CB 3.86Å; L432-E737 HydrophobicContact CD1-CG 3.75Å; L432-E737 HydrophobicContact CD2-CG 4.19Å; L432-M740 HydrophobicContact CB-SD 4.24Å; L432-M740 HydrophobicContact CD2-SD 3.74Å
433N86.8Confident86.9Confident72 Ų7278.8 Ų78.839%0.38537%0.371SS..Hα-helixtrans-66.2-37178-80.5-36.1000112.6E429 T430 K436 K437E429-N433 WeakPolarHBondContact O-CB 3.46Å; E429-N433 PolarHBondContact O-N 3.13Å; E429-N433 PolarHBondContact O-ND2 2.84Å; T430-N433 PolarHBondContact O-N 3.29Å; N433-K436 PolarHBondContact O-N 2.89Å; N433-K437 WeakPolarHBondContact O-CB 3.45Å; N433-K437 VanDerWaalsContact O-CG 3.3Å; N433-K437 WeakPolarHBondContact O-CG 3.38Å; N433-K437 PolarHBondContact O-N 2.92Å
434E86.9Confident86.9Confident126 Ų12681.5 Ų81.559%0.58938%0.379SS*.Hα-helixtrans-66.1-44.2173.3-75.4-179.1177.500111.9T430 E431 K436 K437 R438T430-E434 WeakPolarHBondContact O-CB 3.4Å; T430-E434 WeakPolarHBondContact O-CG 3.37Å; T430-E434 PolarHBondContact O-N 3.16Å; E431-E434 PolarHBondContact O-N 3.43Å; E434-K436 VanDerWaalsContact C-N 3.35Å; E434-K437 PolarHBondContact O-N 3.21Å; E434-R438 WeakPolarHBondContact O-CB 3.42Å; E434-R438 PolarHBondContact O-N 3.14Å
435N86Confident87Confident24 Ų2484 Ų8413%0.12838%0.382CS..Hα-helixtrans-64.8-37.7175-75.5-29.3000111.8E431 L432 R438 L439 L733 N736E431-N435 WeakPolarHBondContact O-CB 3.28Å; E431-N435 PolarHBondContact O-N 3.36Å; E431-N435 PolarHBondContact O-ND2 3.09Å; L432-N435 PolarHBondContact O-N 2.9Å; N435-R438 PolarHBondContact O-N 3.16Å; N435-L439 WeakPolarHBondContact O-CB 3.47Å; N435-L439 PolarHBondContact O-N 3.27Å; N435-L733 HydrophobicContact CB-CD2 3.71Å; N435-N736 PolarHBondContact ND2-ND2 3.37Å; N435-N736 VanDerWaalsContact ND2-ND2 3.17Å
436K86.8Confident87Confident89 Ų8983 Ų8339%0.38738%0.376SS..Hα-helixtrans-63.5-44.7171.5-77.1177.1178.4174.80111.7L432 N433 E434 R438 L439 Q440 L733 E737L432-K436 HydrophobicContact CG-CD 4.26Å; L432-K436 WeakPolarHBondContact O-CB 3.32Å; L432-K436 VanDerWaalsContact O-CG 3.3Å; L432-K436 WeakPolarHBondContact O-CG 3.34Å; L432-K436 PolarHBondContact O-N 3.34Å; N433-K436 PolarHBondContact O-N 2.89Å; E434-K436 VanDerWaalsContact C-N 3.35Å; K436-R438 VanDerWaalsContact C-N 3.34Å; K436-R438 PolarHBondContact O-N 2.79Å; K436-L439 PolarHBondContact O-N 3.49Å; K436-Q440 WeakPolarHBondContact O-CB 3.45Å; K436-Q440 PolarHBondContact O-N 2.66Å; K436-L733 HydrophobicContact CG-CD2 3.82Å; K436-E737 IonicContact NZ-OE1 3.24Å
437K87Confident87.1Confident134 Ų13479.2 Ų79.258%0.58336%0.364SS*.Hα-helixtrans-63.1-38.9173.6-75.7173.5-177.5174.90112N433 E434 Q440 K441N433-K437 WeakPolarHBondContact O-CB 3.45Å; N433-K437 VanDerWaalsContact O-CG 3.3Å; N433-K437 WeakPolarHBondContact O-CG 3.38Å; N433-K437 PolarHBondContact O-N 2.92Å; E434-K437 PolarHBondContact O-N 3.21Å; K437-Q440 PolarHBondContact O-N 3.31Å; K437-K441 WeakPolarHBondContact O-CG 3.26Å; K437-K441 PolarHBondContact O-N 2.73Å
438R86.8Confident87.1Confident98 Ų9874.5 Ų74.537%0.3736%0.355SS..Hα-helixtrans-64.3-46.4174.8-178.9-179.6174.5-170.5-5.3110.6E434 N435 K436 Q440 K441 L442 D724E434-R438 WeakPolarHBondContact O-CB 3.42Å; E434-R438 PolarHBondContact O-N 3.14Å; N435-R438 PolarHBondContact O-N 3.16Å; K436-R438 VanDerWaalsContact C-N 3.34Å; K436-R438 PolarHBondContact O-N 2.79Å; R438-Q440 VanDerWaalsContact C-N 3.32Å; R438-Q440 PolarHBondContact O-N 2.85Å; R438-K441 PolarHBondContact O-N 2.89Å; R438-L442 HydrophobicContact CG-CD1 4.13Å; R438-L442 HydrophobicContact CG-CG 4.45Å; R438-L442 WeakPolarHBondContact O-CB 3.5Å; R438-L442 WeakPolarHBondContact O-CG 3.35Å; R438-L442 PolarHBondContact O-N 3Å; R438-D724 IonicContact CZ-OD1 2.79Å; R438-D724 IonicContact CZ-OD2 3.9Å; R438-D724 IonicContact NE-OD2 3.09Å; R438-D724 IonicContact NH2-OD1 3.73Å; R438-D724 PolarHBondContact NH2-OD1 3.08Å; R438-D724 IonicContact NH2-OD2 3.59Å; R438-D724 PolarHBondContact NH2-OD2 3.16Å
439L87.7Confident87.2Confident21 Ų2172.8 Ų72.811%0.1135%0.348CS..Hα-helixtrans-58.8-44.7175.2-178.364.6000110.8N435 K436 K441 L442 L443 K725 E729 L733N435-L439 WeakPolarHBondContact O-CB 3.47Å; N435-L439 PolarHBondContact O-N 3.27Å; K436-L439 PolarHBondContact O-N 3.49Å; L439-K441 PolarHBondContact O-N 3.3Å; L439-L442 PolarHBondContact O-N 3.24Å; L439-L443 HydrophobicContact CD1-CG 4.44Å; L439-L443 HydrophobicContact CG-CD1 4.11Å; L439-L443 HydrophobicContact CG-CG 4.46Å; L439-L443 WeakPolarHBondContact O-CB 3.04Å; L439-L443 VanDerWaalsContact O-CG 3.3Å; L439-L443 WeakPolarHBondContact O-CG 3.41Å; L439-L443 PolarHBondContact O-N 2.86Å; L439-K725 HydrophobicContact CD1-CG 3.62Å; L439-E729 HydrophobicContact CD1-CB 4.28Å; L439-L733 HydrophobicContact CD2-CD1 3.65Å
440Q87.5Confident87.3Confident110 Ų11071.4 Ų71.451%0.51434%0.344SS..Hα-helixtrans-57.9-48.2174.8-174.7-174.6-12.900111.6K436 K437 R438 L442 L443 E444K436-Q440 WeakPolarHBondContact O-CB 3.45Å; K436-Q440 PolarHBondContact O-N 2.66Å; K437-Q440 PolarHBondContact O-N 3.31Å; R438-Q440 VanDerWaalsContact C-N 3.32Å; R438-Q440 PolarHBondContact O-N 2.85Å; Q440-L442 VanDerWaalsContact C-N 3.33Å; Q440-L442 PolarHBondContact O-N 3.06Å; Q440-L443 PolarHBondContact O-N 2.95Å; Q440-E444 WeakPolarHBondContact CG-OE1 3.14Å; Q440-E444 PolarHBondContact NE2-OE1 2.81Å; Q440-E444 WeakPolarHBondContact O-CG 3.49Å; Q440-E444 PolarHBondContact O-N 3.15Å
441K87.1Confident87.4Confident149 Ų14974.9 Ų74.965%0.64835%0.349SS*.Hα-helixtrans-62.3-38.4176.3-73.4178.2-180179.80112.8K437 R438 L439 Y445K437-K441 WeakPolarHBondContact O-CG 3.26Å; K437-K441 PolarHBondContact O-N 2.73Å; R438-K441 PolarHBondContact O-N 2.89Å; L439-K441 PolarHBondContact O-N 3.3Å; K441-Y445 VanDerWaalsContact O-CB 3.31Å; K441-Y445 WeakPolarHBondContact O-CB 3.05Å; K441-Y445 PolarHBondContact O-N 3.07Å
442L88.5Confident87.4Confident22 Ų2272.8 Ų72.812%0.11535%0.345CS..Hα-helixtrans-65.5-42.1175.4-72.5171.1000110.7R438 L439 Q440 Y445 I446 T721 K725R438-L442 HydrophobicContact CG-CD1 4.13Å; R438-L442 HydrophobicContact CG-CG 4.45Å; R438-L442 WeakPolarHBondContact O-CB 3.5Å; R438-L442 WeakPolarHBondContact O-CG 3.35Å; R438-L442 PolarHBondContact O-N 3Å; L439-L442 PolarHBondContact O-N 3.24Å; Q440-L442 VanDerWaalsContact C-N 3.33Å; Q440-L442 PolarHBondContact O-N 3.06Å; L442-Y445 PolarHBondContact O-N 3.23Å; L442-I446 WeakPolarHBondContact O-CB 3.49Å; L442-I446 WeakPolarHBondContact O-CD1 3.3Å; L442-I446 WeakPolarHBondContact O-CG1 3.16Å; L442-I446 PolarHBondContact O-N 2.94Å; L442-T721 HydrophobicContact CD2-CG2 3.61Å; L442-K725 HydrophobicContact CB-CB 4.5Å; L442-K725 HydrophobicContact CD1-CB 4.48Å
443L87.8Confident87.5Confident80 Ų8072.5 Ų72.542%0.41934%0.343SS..Hα-helixtrans-64.3-43.9175.1-72.3171.1000111.8L439 Q440 Y445 I446 D447 K725L439-L443 HydrophobicContact CD1-CG 4.44Å; L439-L443 HydrophobicContact CG-CD1 4.11Å; L439-L443 HydrophobicContact CG-CG 4.46Å; L439-L443 WeakPolarHBondContact O-CB 3.04Å; L439-L443 VanDerWaalsContact O-CG 3.3Å; L439-L443 WeakPolarHBondContact O-CG 3.41Å; L439-L443 PolarHBondContact O-N 2.86Å; Q440-L443 PolarHBondContact O-N 2.95Å; L443-Y445 VanDerWaalsContact C-N 3.34Å; L443-Y445 PolarHBondContact O-N 3.06Å; L443-I446 PolarHBondContact O-N 3.33Å; L443-D447 WeakPolarHBondContact O-CB 3.49Å; L443-D447 PolarHBondContact O-N 2.65Å; L443-K725 HydrophobicContact CD2-CD 4.27Å; L443-K725 HydrophobicContact CD2-CG 4.47Å
444E88Confident87.5Confident104 Ų10472.6 Ų72.649%0.48635%0.346SS..Hα-helixtrans-61.3-41.2173.5-72.8170-17100111.5Q440 S448Q440-E444 WeakPolarHBondContact CG-OE1 3.14Å; Q440-E444 PolarHBondContact NE2-OE1 2.81Å; Q440-E444 WeakPolarHBondContact O-CG 3.49Å; Q440-E444 PolarHBondContact O-N 3.15Å; E444-S448 WeakPolarHBondContact O-CB 3.46Å; E444-S448 PolarHBondContact O-N 2.91Å; E444-S448 PolarHBondContact O-OG 2.9Å
445Y87Confident87.6Confident98 Ų9872.5 Ų72.538%0.38435%0.346SS..Hα-helixtrans-67.8-39.4175.2-175.5-88.4000112.2K441 L442 L443 S448 S449 T721K441-Y445 VanDerWaalsContact O-CB 3.31Å; K441-Y445 WeakPolarHBondContact O-CB 3.05Å; K441-Y445 PolarHBondContact O-N 3.07Å; L442-Y445 PolarHBondContact O-N 3.23Å; L443-Y445 VanDerWaalsContact C-N 3.34Å; L443-Y445 PolarHBondContact O-N 3.06Å; Y445-S448 WeakPolarHBondContact CA-OG 3.15Å; Y445-S448 PolarHBondContact O-OG 2.83Å; Y445-S449 VanDerWaalsContact CE1-OG 3.26Å; Y445-S449 WeakPolarHBondContact CE1-OG 3.38Å; Y445-S449 WeakPolarHBondContact O-CB 3.33Å; Y445-S449 PolarHBondContact O-N 2.88Å; Y445-S449 PolarHBondContact O-OG 3.48Å; Y445-T721 HydrophobicContact CD1-CG2 3.76Å; Y445-T721 HydrophobicContact CE1-CG2 4.36Å; Y445-T721 WeakPolarHBondContact CE1-OG1 3.35Å
446I88.4Confident87.7Confident14 Ų1473.3 Ų73.37%0.07235%0.349CS..Hα-helixtrans-63.1-47.5174.9-75.5161.6000109.9L442 L443 S449 N450 L718 T721 L722 K725L442-I446 WeakPolarHBondContact O-CB 3.49Å; L442-I446 WeakPolarHBondContact O-CD1 3.3Å; L442-I446 WeakPolarHBondContact O-CG1 3.16Å; L442-I446 PolarHBondContact O-N 2.94Å; L443-I446 PolarHBondContact O-N 3.33Å; I446-S449 PolarHBondContact O-N 3.42Å; I446-N450 WeakPolarHBondContact CG2-ND2 3.46Å; I446-N450 VanDerWaalsContact O-CB 3.28Å; I446-N450 WeakPolarHBondContact O-CB 3.47Å; I446-N450 VanDerWaalsContact O-CG 3.24Å; I446-N450 PolarHBondContact O-N 3.26Å; I446-N450 PolarHBondContact O-ND2 2.76Å; I446-L718 HydrophobicContact CB-CD1 4.31Å; I446-L718 HydrophobicContact CG1-CD1 4.13Å; I446-L718 HydrophobicContact CG2-CD1 4.03Å; I446-T721 HydrophobicContact CD1-CG2 4.14Å; I446-T721 HydrophobicContact CG1-CG2 3.77Å; I446-L722 HydrophobicContact CD1-CD2 3.93Å; I446-L722 HydrophobicContact CG1-CD2 4.38Å; I446-L722 HydrophobicContact CG2-CD2 4.37Å; I446-K725 HydrophobicContact CD1-CB 3.9Å; I446-K725 HydrophobicContact CD1-CD 3.96Å; I446-K725 HydrophobicContact CD1-CG 4.09Å
447D88.3Confident87.8Confident70 Ų7074.8 Ų74.837%0.37435%0.352SS..Hα-helixtrans-63.4-47.5178.4-175.538000111.2L443 S449 N450 R451L443-D447 WeakPolarHBondContact O-CB 3.49Å; L443-D447 PolarHBondContact O-N 2.65Å; D447-S449 VanDerWaalsContact C-N 3.35Å; D447-S449 PolarHBondContact O-N 3.05Å; D447-N450 PolarHBondContact O-N 3.26Å; D447-R451 WeakPolarHBondContact O-CB 3.49Å; D447-R451 VanDerWaalsContact O-CG 3.27Å; D447-R451 WeakPolarHBondContact O-CG 3.41Å; D447-R451 PolarHBondContact O-N 3.49Å; D447-R451 IonicContact OD1-NE 2.67Å; D447-R451 PolarHBondContact OD1-NE 3.37Å; D447-R451 IonicContact OD1-NH2 3.94Å; D447-R451 IonicContact OD2-CZ 2.66Å; D447-R451 IonicContact OD2-NE 3.65Å; D447-R451 PolarHBondContact OD2-NE 3.14Å; D447-R451 IonicContact OD2-NH2 3.89Å; D447-R451 PolarHBondContact OD2-NH2 3.5Å
448S88Confident87.8Confident60 Ų6074.9 Ų74.942%0.4236%0.355SS..Hα-helixtrans-62.8-38.6175.664.40000113E444 Y445 R451 A452E444-S448 WeakPolarHBondContact O-CB 3.46Å; E444-S448 PolarHBondContact O-N 2.91Å; E444-S448 PolarHBondContact O-OG 2.9Å; Y445-S448 WeakPolarHBondContact CA-OG 3.15Å; Y445-S448 PolarHBondContact O-OG 2.83Å; S448-R451 PolarHBondContact O-N 3.41Å; S448-A452 WeakPolarHBondContact O-CB 3.31Å; S448-A452 PolarHBondContact O-N 3.26Å
449S87.2Confident87.8Confident6 Ų673.3 Ų73.34%0.04236%0.356CS..Hα-helixtrans-68.1-40.9175.7-64.40000111.4Y445 I446 D447 A452 I453Y445-S449 VanDerWaalsContact CE1-OG 3.26Å; Y445-S449 WeakPolarHBondContact CE1-OG 3.38Å; Y445-S449 WeakPolarHBondContact O-CB 3.33Å; Y445-S449 PolarHBondContact O-N 2.88Å; Y445-S449 PolarHBondContact O-OG 3.48Å; I446-S449 PolarHBondContact O-N 3.42Å; D447-S449 VanDerWaalsContact C-N 3.35Å; D447-S449 PolarHBondContact O-N 3.05Å; S449-A452 PolarHBondContact O-N 3.03Å; S449-I453 WeakPolarHBondContact O-CB 3.43Å; S449-I453 WeakPolarHBondContact O-CD1 3.12Å; S449-I453 WeakPolarHBondContact O-CG1 3.42Å; S449-I453 PolarHBondContact O-N 3.32Å
450N88.7Confident87.9Confident66 Ų6674 Ų7435%0.35336%0.359SS..Hα-helixtrans-62.9-46.6174.5-79.5-32.3000110.9I446 D447 A452 I453 T454 L718I446-N450 WeakPolarHBondContact CG2-ND2 3.46Å; I446-N450 VanDerWaalsContact O-CB 3.28Å; I446-N450 WeakPolarHBondContact O-CB 3.47Å; I446-N450 VanDerWaalsContact O-CG 3.24Å; I446-N450 PolarHBondContact O-N 3.26Å; I446-N450 PolarHBondContact O-ND2 2.76Å; D447-N450 PolarHBondContact O-N 3.26Å; N450-A452 PolarHBondContact O-N 2.93Å; N450-I453 PolarHBondContact O-N 3.47Å; N450-T454 WeakPolarHBondContact O-CG2 3.46Å; N450-T454 PolarHBondContact O-N 2.87Å; N450-T454 PolarHBondContact O-OG1 3.47Å; N450-T454 VanDerWaalsContact O-OG1 3.1Å; N450-L718 WeakPolarHBondContact OD1-CD2 3.44Å
451R88.5Confident88Confident143 Ų14375 Ų7554%0.5436%0.361SS..Hα-helixtrans-58.2-46.5174.9-70.9175.9-165-163.94.6111.6D447 S448 I453 T454 E455D447-R451 WeakPolarHBondContact O-CB 3.49Å; D447-R451 VanDerWaalsContact O-CG 3.27Å; D447-R451 WeakPolarHBondContact O-CG 3.41Å; D447-R451 PolarHBondContact O-N 3.49Å; D447-R451 IonicContact OD1-NE 2.67Å; D447-R451 PolarHBondContact OD1-NE 3.37Å; D447-R451 IonicContact OD1-NH2 3.94Å; D447-R451 IonicContact OD2-CZ 2.66Å; D447-R451 IonicContact OD2-NE 3.65Å; D447-R451 PolarHBondContact OD2-NE 3.14Å; D447-R451 IonicContact OD2-NH2 3.89Å; D447-R451 PolarHBondContact OD2-NH2 3.5Å; S448-R451 PolarHBondContact O-N 3.41Å; R451-I453 PolarHBondContact O-N 3.45Å; R451-T454 VanDerWaalsContact CA-OG1 3.27Å; R451-T454 WeakPolarHBondContact CA-OG1 3.34Å; R451-T454 PolarHBondContact O-N 3.44Å; R451-T454 PolarHBondContact O-OG1 3.33Å; R451-E455 WeakPolarHBondContact O-CB 3.44Å; R451-E455 VanDerWaalsContact O-CG 3.31Å; R451-E455 WeakPolarHBondContact O-CG 3.45Å; R451-E455 PolarHBondContact O-N 2.91Å
452A86.9Confident88Confident31 Ų3170.5 Ų70.526%0.25635%0.352SS..Hα-helixtrans-63.2-40.9176.300000112.1S448 S449 N450 Q456 L714S448-A452 WeakPolarHBondContact O-CB 3.31Å; S448-A452 PolarHBondContact O-N 3.26Å; S449-A452 PolarHBondContact O-N 3.03Å; N450-A452 PolarHBondContact O-N 2.93Å; A452-Q456 VanDerWaalsContact O-CB 3.29Å; A452-Q456 WeakPolarHBondContact O-CB 3.46Å; A452-Q456 VanDerWaalsContact O-CG 3.26Å; A452-Q456 WeakPolarHBondContact O-CG 3.41Å; A452-Q456 PolarHBondContact O-N 3.25Å; A452-L714 HydrophobicContact CB-CD1 4.18Å
453I87.9Confident87.9Confident5 Ų570.6 Ų70.63%0.02635%0.352CS..Hα-helixtrans-65.5-41.2175.2-71.2162.4000110.7S449 N450 R451 Q456 R457 L714 L718S449-I453 WeakPolarHBondContact O-CB 3.43Å; S449-I453 WeakPolarHBondContact O-CD1 3.12Å; S449-I453 WeakPolarHBondContact O-CG1 3.42Å; S449-I453 PolarHBondContact O-N 3.32Å; N450-I453 PolarHBondContact O-N 3.47Å; R451-I453 PolarHBondContact O-N 3.45Å; I453-Q456 PolarHBondContact O-N 3.44Å; I453-R457 HydrophobicContact CG2-CG 4.27Å; I453-R457 VanDerWaalsContact O-CB 3.28Å; I453-R457 WeakPolarHBondContact O-CB 3.26Å; I453-R457 VanDerWaalsContact O-CG 3.25Å; I453-R457 WeakPolarHBondContact O-CG 3.34Å; I453-R457 PolarHBondContact O-N 3.03Å; I453-L714 HydrophobicContact CD1-CB 3.88Å; I453-L714 HydrophobicContact CG1-CB 3.52Å; I453-L714 HydrophobicContact CG1-CD1 4.06Å; I453-L714 HydrophobicContact CG1-CG 4.42Å; I453-L718 HydrophobicContact CD1-CB 4.28Å; I453-L718 HydrophobicContact CD1-CD2 3.75Å
454T87.5Confident88Confident75 Ų7572.7 Ų72.746%0.4636%0.355SS..Hα-helixtrans-65.3-46.4177.348.80000111.3N450 R451 Q456 R457 E458N450-T454 WeakPolarHBondContact O-CG2 3.46Å; N450-T454 PolarHBondContact O-N 2.87Å; N450-T454 PolarHBondContact O-OG1 3.47Å; N450-T454 VanDerWaalsContact O-OG1 3.1Å; R451-T454 VanDerWaalsContact CA-OG1 3.27Å; R451-T454 WeakPolarHBondContact CA-OG1 3.34Å; R451-T454 PolarHBondContact O-N 3.44Å; R451-T454 PolarHBondContact O-OG1 3.33Å; T454-Q456 VanDerWaalsContact C-N 3.34Å; T454-Q456 PolarHBondContact O-N 3.25Å; T454-R457 PolarHBondContact O-N 3.41Å; T454-E458 WeakPolarHBondContact O-CB 3.43Å; T454-E458 WeakPolarHBondContact O-CG 3.46Å; T454-E458 PolarHBondContact O-N 2.94Å
455E87.8Confident88Confident123 Ų12372.9 Ų72.958%0.57536%0.356SS*.Hα-helixtrans-61.1-42.8175.6-72.9172.5-170.700111.3R451 E458 T459R451-E455 WeakPolarHBondContact O-CB 3.44Å; R451-E455 VanDerWaalsContact O-CG 3.31Å; R451-E455 WeakPolarHBondContact O-CG 3.45Å; R451-E455 PolarHBondContact O-N 2.91Å; E455-E458 PolarHBondContact O-N 3.16Å; E455-T459 WeakPolarHBondContact O-CG2 3.31Å; E455-T459 PolarHBondContact O-N 3.31Å; E455-T459 PolarHBondContact O-OG1 2.92Å
456Q87.6Confident88Confident41 Ų4170.9 Ų70.919%0.19235%0.35CS..Hα-helixtrans-68-36.7176.6-74.3-162.3-0.500112.6A452 I453 T454 T459 E460 I707 I711A452-Q456 VanDerWaalsContact O-CB 3.29Å; A452-Q456 WeakPolarHBondContact O-CB 3.46Å; A452-Q456 VanDerWaalsContact O-CG 3.26Å; A452-Q456 WeakPolarHBondContact O-CG 3.41Å; A452-Q456 PolarHBondContact O-N 3.25Å; I453-Q456 PolarHBondContact O-N 3.44Å; T454-Q456 VanDerWaalsContact C-N 3.34Å; T454-Q456 PolarHBondContact O-N 3.25Å; Q456-T459 VanDerWaalsContact CA-OG1 3.28Å; Q456-T459 WeakPolarHBondContact CA-OG1 3.48Å; Q456-T459 PolarHBondContact O-OG1 2.86Å; Q456-E460 VanDerWaalsContact O-CB 3.23Å; Q456-E460 WeakPolarHBondContact O-CB 3.25Å; Q456-E460 PolarHBondContact O-N 2.73Å; Q456-I707 HydrophobicContact CB-CG2 4.33Å; Q456-I707 WeakPolarHBondContact O-CG2 3.33Å; Q456-I711 HydrophobicContact CB-CD1 4.05Å; Q456-I711 HydrophobicContact CB-CG1 3.59Å
457R89.1Confident88Confident120 Ų12070.8 Ų70.845%0.45335%0.35SS..Hα-helixtrans-70.5-35.6175.1-77.6179-178.9169.87.7112.1I453 T454 K461 I711 D715I453-R457 HydrophobicContact CG2-CG 4.27Å; I453-R457 VanDerWaalsContact O-CB 3.28Å; I453-R457 WeakPolarHBondContact O-CB 3.26Å; I453-R457 VanDerWaalsContact O-CG 3.25Å; I453-R457 WeakPolarHBondContact O-CG 3.34Å; I453-R457 PolarHBondContact O-N 3.03Å; T454-R457 PolarHBondContact O-N 3.41Å; R457-K461 VanDerWaalsContact O-CB 3.26Å; R457-K461 WeakPolarHBondContact O-CB 3.5Å; R457-K461 PolarHBondContact O-N 3.46Å; R457-I711 HydrophobicContact CG-CD1 3.96Å; R457-I711 HydrophobicContact CG-CG2 4.34Å; R457-D715 IonicContact NH2-OD1 3.37Å; R457-D715 PolarHBondContact NH2-OD1 3.46Å; R457-D715 VanDerWaalsContact NH2-OD1 3.09Å; R457-D715 IonicContact NH2-OD2 3.49Å; R457-D715 PolarHBondContact NH2-OD2 3.22Å
458E88.3Confident88Confident137 Ų13770.9 Ų70.964%0.6435%0.348SS*.Hα-helixtrans-65.7-44.4173.2-76.3-179.8173.200111.3T454 E455 K461 A462T454-E458 WeakPolarHBondContact O-CB 3.43Å; T454-E458 WeakPolarHBondContact O-CG 3.46Å; T454-E458 PolarHBondContact O-N 2.94Å; E455-E458 PolarHBondContact O-N 3.16Å; E458-K461 PolarHBondContact O-N 2.79Å; E458-A462 WeakPolarHBondContact O-CB 3.37Å; E458-A462 PolarHBondContact O-N 3.01Å
459T86.2Confident88Confident64 Ų6473.1 Ų73.139%0.39336%0.355SS..Hα-helixtrans-67.9-39.3174.752.90000112.3E455 Q456 K461 A462 I463E455-T459 WeakPolarHBondContact O-CG2 3.31Å; E455-T459 PolarHBondContact O-N 3.31Å; E455-T459 PolarHBondContact O-OG1 2.92Å; Q456-T459 VanDerWaalsContact CA-OG1 3.28Å; Q456-T459 WeakPolarHBondContact CA-OG1 3.48Å; Q456-T459 PolarHBondContact O-OG1 2.86Å; T459-K461 VanDerWaalsContact C-N 3.34Å; T459-K461 PolarHBondContact O-N 3.21Å; T459-A462 PolarHBondContact O-N 2.81Å; T459-I463 WeakPolarHBondContact O-CB 3.46Å; T459-I463 WeakPolarHBondContact O-CG1 3.43Å; T459-I463 PolarHBondContact O-N 2.84Å
460E89.9Confident88Confident36 Ų3672.8 Ų72.817%0.16835%0.353CS..Hα-helixtrans-56.9-49171.1-171.5-162.7172.300110.2Q456 R464 L704 I707 Q708 I711Q456-E460 VanDerWaalsContact O-CB 3.23Å; Q456-E460 WeakPolarHBondContact O-CB 3.25Å; Q456-E460 PolarHBondContact O-N 2.73Å; E460-R464 WeakPolarHBondContact O-CB 3.29Å; E460-R464 PolarHBondContact O-N 3.11Å; E460-L704 HydrophobicContact CB-CD1 4.43Å; E460-L704 HydrophobicContact CG-CD1 3.52Å; E460-I707 HydrophobicContact CB-CG2 3.93Å; E460-Q708 HydrophobicContact CG-CG 4.12Å; E460-Q708 WeakPolarHBondContact OE1-CG 3.47Å; E460-Q708 PolarHBondContact OE1-NE2 2.84Å; E460-I711 HydrophobicContact CB-CD1 3.95Å; E460-I711 HydrophobicContact CG-CD1 4.33Å; E460-I711 WeakPolarHBondContact OE2-CD1 3.46Å
461K88.4Confident88Confident130 Ų13071.5 Ų71.557%0.56535%0.347SS*.Hα-helixtrans-61.2-47.9179-175.9-178.5173.5-173.20111.4R457 E458 T459 R464 E465R457-K461 VanDerWaalsContact O-CB 3.26Å; R457-K461 WeakPolarHBondContact O-CB 3.5Å; R457-K461 PolarHBondContact O-N 3.46Å; E458-K461 PolarHBondContact O-N 2.79Å; T459-K461 VanDerWaalsContact C-N 3.34Å; T459-K461 PolarHBondContact O-N 3.21Å; K461-R464 PolarHBondContact O-N 3.39Å; K461-E465 WeakPolarHBondContact CE-OE1 3.47Å; K461-E465 WeakPolarHBondContact O-CB 3.32Å; K461-E465 WeakPolarHBondContact O-CG 3.34Å; K461-E465 PolarHBondContact O-N 3.41Å
462A88.6Confident88Confident56 Ų5672.3 Ų72.346%0.46335%0.35SS..Hα-helixtrans-61.8-47.1179.500000112.3E458 T459 E465 E466E458-A462 WeakPolarHBondContact O-CB 3.37Å; E458-A462 PolarHBondContact O-N 3.01Å; T459-A462 PolarHBondContact O-N 2.81Å; A462-E465 PolarHBondContact O-N 2.89Å; A462-E466 WeakPolarHBondContact O-CB 3.31Å; A462-E466 PolarHBondContact O-N 3.36Å
463I87Confident88.2Confident23 Ų2373.4 Ų73.412%0.11835%0.348CS..Hα-helixtrans-68-38.7178.4-67.6168.8000110.7T459 E466 V467 K700 L704 I707T459-I463 WeakPolarHBondContact O-CB 3.46Å; T459-I463 WeakPolarHBondContact O-CG1 3.43Å; T459-I463 PolarHBondContact O-N 2.84Å; I463-E466 PolarHBondContact O-N 3.49Å; I463-V467 HydrophobicContact CG2-CG2 4.16Å; I463-V467 WeakPolarHBondContact O-CB 3.45Å; I463-V467 VanDerWaalsContact O-CG2 3.25Å; I463-V467 WeakPolarHBondContact O-CG2 3.29Å; I463-V467 PolarHBondContact O-N 3.33Å; I463-K700 HydrophobicContact CG2-CB 3.94Å; I463-L704 HydrophobicContact CG2-CB 4.06Å; I463-L704 HydrophobicContact CG2-CD1 4.39Å; I463-I707 HydrophobicContact CD1-CD1 3.49Å; I463-I707 VanDerWaalsContact CD1-CD1 3.49Å
464R89.7Confident88.2Confident125 Ų12573.6 Ų73.647%0.47235%0.349SS..Hα-helixtrans-63.1-47.1176.6-179.4177.4174.1177.6-1.2111.4E460 K461 E466 V467 E468 L704E460-R464 WeakPolarHBondContact O-CB 3.29Å; E460-R464 PolarHBondContact O-N 3.11Å; K461-R464 PolarHBondContact O-N 3.39Å; R464-E466 VanDerWaalsContact C-N 3.31Å; R464-E466 PolarHBondContact O-N 2.94Å; R464-V467 PolarHBondContact O-N 2.9Å; R464-E468 HydrophobicContact CG-CG 4.34Å; R464-E468 WeakPolarHBondContact CG-OE1 3.46Å; R464-E468 IonicContact CZ-OE1 3.37Å; R464-E468 IonicContact NE-OE1 3.69Å; R464-E468 PolarHBondContact NE-OE1 2.97Å; R464-E468 IonicContact NH2-OE1 3.54Å; R464-E468 PolarHBondContact NH2-OE1 3.27Å; R464-E468 WeakPolarHBondContact O-CB 3.37Å; R464-E468 WeakPolarHBondContact O-CG 3.39Å; R464-E468 PolarHBondContact O-N 2.89Å; R464-L704 HydrophobicContact CB-CD1 4.01Å; R464-L704 HydrophobicContact CB-CD2 4.25Å; R464-L704 HydrophobicContact CG-CD2 4.48Å
465E87.8Confident88.2Confident108 Ų10874.8 Ų74.851%0.50535%0.352SS..Hα-helixtrans-59.7-42.1174.6-74.9174.3-176.400111K461 A462 L469K461-E465 WeakPolarHBondContact CE-OE1 3.47Å; K461-E465 WeakPolarHBondContact O-CB 3.32Å; K461-E465 WeakPolarHBondContact O-CG 3.34Å; K461-E465 PolarHBondContact O-N 3.41Å; A462-E465 PolarHBondContact O-N 2.89Å; E465-L469 WeakPolarHBondContact O-CB 3.27Å; E465-L469 PolarHBondContact O-N 3.38Å
466E87.2Confident88.3Confident56 Ų5673.6 Ų73.626%0.26235%0.347SS..Hα-helixtrans-63.6-43.7176.1-169.3-176.8170.500112.4A462 I463 R464 A470 K700A462-E466 WeakPolarHBondContact O-CB 3.31Å; A462-E466 PolarHBondContact O-N 3.36Å; I463-E466 PolarHBondContact O-N 3.49Å; R464-E466 VanDerWaalsContact C-N 3.31Å; R464-E466 PolarHBondContact O-N 2.94Å; E466-A470 WeakPolarHBondContact O-CB 3.26Å; E466-A470 PolarHBondContact O-N 2.88Å; E466-K700 IonicContact OE1-NZ 3.14Å; E466-K700 PolarHBondContact OE1-NZ 3.41Å; E466-K700 IonicContact OE2-NZ 4Å; E466-K700 PolarHBondContact OE2-NZ 3.07Å
467V88.5Confident88.3Confident12 Ų1271.7 Ų71.77%0.07334%0.338CS..Hα-helixtrans-70.1-40.3178.5170.90000111.3I463 R464 T471 K700 E701I463-V467 HydrophobicContact CG2-CG2 4.16Å; I463-V467 WeakPolarHBondContact O-CB 3.45Å; I463-V467 VanDerWaalsContact O-CG2 3.25Å; I463-V467 WeakPolarHBondContact O-CG2 3.29Å; I463-V467 PolarHBondContact O-N 3.33Å; R464-V467 PolarHBondContact O-N 2.9Å; V467-T471 VanDerWaalsContact O-CB 3.3Å; V467-T471 WeakPolarHBondContact O-CB 3.27Å; V467-T471 PolarHBondContact O-N 2.83Å; V467-T471 PolarHBondContact O-OG1 3.5Å; V467-K700 HydrophobicContact CG2-CB 4.07Å; V467-E701 HydrophobicContact CG1-CB 4.4Å
468E86.7Confident88.1Confident72 Ų7269.3 Ų69.334%0.33633%0.334SS..Hα-helixtrans-64.5-45.6175.5-76.9-177-16500111R464 T471 R472R464-E468 HydrophobicContact CG-CG 4.34Å; R464-E468 WeakPolarHBondContact CG-OE1 3.46Å; R464-E468 IonicContact CZ-OE1 3.37Å; R464-E468 IonicContact NE-OE1 3.69Å; R464-E468 PolarHBondContact NE-OE1 2.97Å; R464-E468 IonicContact NH2-OE1 3.54Å; R464-E468 PolarHBondContact NH2-OE1 3.27Å; R464-E468 WeakPolarHBondContact O-CB 3.37Å; R464-E468 WeakPolarHBondContact O-CG 3.39Å; R464-E468 PolarHBondContact O-N 2.89Å; E468-T471 PolarHBondContact O-N 2.83Å; E468-R472 WeakPolarHBondContact O-CG 3.29Å; E468-R472 PolarHBondContact O-N 3.37Å; E468-R472 IonicContact OE2-NH2 3.47Å
469L87.6Confident88Confident106 Ų10665.1 Ų65.156%0.55532%0.322SS*.Hα-helixtrans-66.1-42.6177.2-171.4136.6000111.7E465 T471 R472 R473E465-L469 WeakPolarHBondContact O-CB 3.27Å; E465-L469 PolarHBondContact O-N 3.38Å; L469-T471 VanDerWaalsContact C-N 3.3Å; L469-T471 PolarHBondContact O-N 3.45Å; L469-R472 PolarHBondContact O-N 2.94Å; L469-R473 WeakPolarHBondContact O-CB 3.34Å; L469-R473 PolarHBondContact O-N 2.78Å
470A88.5Confident88.1Confident0 Ų065.1 Ų65.10%032%0.318CS..Hα-helixtrans-62.3-38.7174.200000111.7E466 R473 I474 R697E466-A470 WeakPolarHBondContact O-CB 3.26Å; E466-A470 PolarHBondContact O-N 2.88Å; A470-R473 PolarHBondContact O-N 2.74Å; A470-I474 WeakPolarHBondContact O-CB 3.38Å; A470-I474 WeakPolarHBondContact O-CD1 3.41Å; A470-I474 WeakPolarHBondContact O-CG1 3.48Å; A470-I474 PolarHBondContact O-N 2.97Å; A470-R697 HydrophobicContact CB-CB 3.85Å
471T87.7Confident87.9Confident39 Ų3964.7 Ų64.724%0.23932%0.317CS..Hα-helixtrans-67.2-47.2177.7-580000111.2V467 E468 L469 R473 I474 D475V467-T471 VanDerWaalsContact O-CB 3.3Å; V467-T471 WeakPolarHBondContact O-CB 3.27Å; V467-T471 PolarHBondContact O-N 2.83Å; V467-T471 PolarHBondContact O-OG1 3.5Å; E468-T471 PolarHBondContact O-N 2.83Å; L469-T471 VanDerWaalsContact C-N 3.3Å; L469-T471 PolarHBondContact O-N 3.45Å; T471-R473 VanDerWaalsContact C-N 3.32Å; T471-R473 PolarHBondContact O-N 3.5Å; T471-I474 WeakPolarHBondContact O-CB 3.49Å; T471-I474 PolarHBondContact O-N 2.73Å; T471-D475 PolarHBondContact O-N 2.86Å
472R89.5Confident87.6Confident159 Ų15964.8 Ų64.860%0.632%0.319SS*.Hα-helixtrans-58.3-44.9174.2-69.7179.9-161.1165.39.9111.6E468 L469 I474 D475 E476E468-R472 WeakPolarHBondContact O-CG 3.29Å; E468-R472 PolarHBondContact O-N 3.37Å; E468-R472 IonicContact OE2-NH2 3.47Å; L469-R472 PolarHBondContact O-N 2.94Å; R472-I474 VanDerWaalsContact C-N 3.34Å; R472-I474 PolarHBondContact O-N 3.44Å; R472-D475 PolarHBondContact O-N 2.95Å; R472-D475 VanDerWaalsContact O-N 3.16Å; R472-E476 WeakPolarHBondContact O-CG 3.28Å; R472-E476 PolarHBondContact O-N 3.3Å
473R90.6Very high87.3Confident55 Ų5565.8 Ų65.821%0.20832%0.32CS..Hα-helixtrans-67.2-33.8178.8-171.259.3-177.1151.610.3112.4L469 A470 T471 D475 E476 I477 E480 E690 Q694L469-R473 WeakPolarHBondContact O-CB 3.34Å; L469-R473 PolarHBondContact O-N 2.78Å; A470-R473 PolarHBondContact O-N 2.74Å; T471-R473 VanDerWaalsContact C-N 3.32Å; T471-R473 PolarHBondContact O-N 3.5Å; R473-D475 VanDerWaalsContact C-N 3.33Å; R473-E476 VanDerWaalsContact CD-OE2 3.25Å; R473-E476 WeakPolarHBondContact CD-OE2 3.45Å; R473-E476 IonicContact CZ-OE2 3.85Å; R473-E476 IonicContact NE-OE2 3.93Å; R473-E476 IonicContact NH1-OE2 3.77Å; R473-E476 PolarHBondContact NH1-OE2 3.11Å; R473-E476 PolarHBondContact O-N 2.89Å; R473-I477 HydrophobicContact CG-CD1 3.84Å; R473-I477 HydrophobicContact CG-CG1 4.22Å; R473-I477 VanDerWaalsContact O-CB 3.32Å; R473-I477 WeakPolarHBondContact O-CB 3.49Å; R473-I477 WeakPolarHBondContact O-CD1 3.38Å; R473-I477 WeakPolarHBondContact O-CG1 3.28Å; R473-I477 PolarHBondContact O-N 3.42Å; R473-E480 IonicContact CZ-OE1 3.98Å; R473-E480 IonicContact NH1-OE1 2.77Å; R473-E480 PolarHBondContact NH1-OE1 3.12Å; R473-E480 IonicContact NH2-OE1 3.19Å; R473-E690 IonicContact CZ-OE1 2.74Å; R473-E690 IonicContact NE-OE1 2.78Å; R473-E690 PolarHBondContact NE-OE1 2.9Å; R473-E690 IonicContact NH2-OE1 3.06Å; R473-E690 PolarHBondContact NH2-OE1 3.46Å; R473-E690 VanDerWaalsContact NH2-OE1 3.12Å; R473-E690 IonicContact NH2-OE2 3.76Å; R473-E690 PolarHBondContact NH2-OE2 3.27Å; R473-E690 VanDerWaalsContact NH2-OE2 3.09Å; R473-Q694 HydrophobicContact CB-CG 4.41Å; R473-Q694 HydrophobicContact CG-CG 4.07Å
474I88.5Confident87Confident9 Ų964.9 Ų64.95%0.04632%0.315CS..Hα-helixtrans-61-44.3171.3-75.3161.2000110.3A470 T471 R472 I477 N478 L691 Q694 L695 K698A470-I474 WeakPolarHBondContact O-CB 3.38Å; A470-I474 WeakPolarHBondContact O-CD1 3.41Å; A470-I474 WeakPolarHBondContact O-CG1 3.48Å; A470-I474 PolarHBondContact O-N 2.97Å; T471-I474 WeakPolarHBondContact O-CB 3.49Å; T471-I474 PolarHBondContact O-N 2.73Å; R472-I474 VanDerWaalsContact C-N 3.34Å; R472-I474 PolarHBondContact O-N 3.44Å; I474-I477 PolarHBondContact O-N 3.08Å; I474-N478 WeakPolarHBondContact CG2-ND2 3.23Å; I474-N478 WeakPolarHBondContact O-CB 3.41Å; I474-N478 PolarHBondContact O-N 2.92Å; I474-N478 PolarHBondContact O-ND2 3.38Å; I474-N478 VanDerWaalsContact O-ND2 3.07Å; I474-L691 HydrophobicContact CB-CD1 4.44Å; I474-L691 HydrophobicContact CG1-CD1 4.19Å; I474-L691 HydrophobicContact CG2-CD1 4Å; I474-Q694 HydrophobicContact CD1-CB 4.05Å; I474-Q694 HydrophobicContact CG1-CB 3.57Å; I474-L695 HydrophobicContact CD1-CD2 4.13Å; I474-L695 HydrophobicContact CD1-CG 4.45Å; I474-K698 HydrophobicContact CD1-CB 4.12Å; I474-K698 HydrophobicContact CD1-CD 3.8Å
475D86.8Confident86.4Confident100 Ų10062.4 Ų62.454%0.53531%0.314SS..Hα-helixtrans-66.3-42.9179.3-63-24.5000111.4T471 R472 R473 N478 A479T471-D475 PolarHBondContact O-N 2.86Å; R472-D475 PolarHBondContact O-N 2.95Å; R472-D475 VanDerWaalsContact O-N 3.16Å; R473-D475 VanDerWaalsContact C-N 3.33Å; D475-N478 PolarHBondContact O-N 3.13Å; D475-A479 PolarHBondContact O-N 3.46Å
476E89.3Confident85.8Confident98 Ų9860.5 Ų60.546%0.45831%0.312SS..Hα-helixtrans-60.3-50.4172.6-71.7171.6-168.400112.2R472 R473 N478 A479 E480R472-E476 WeakPolarHBondContact O-CG 3.28Å; R472-E476 PolarHBondContact O-N 3.3Å; R473-E476 VanDerWaalsContact CD-OE2 3.25Å; R473-E476 WeakPolarHBondContact CD-OE2 3.45Å; R473-E476 IonicContact CZ-OE2 3.85Å; R473-E476 IonicContact NE-OE2 3.93Å; R473-E476 IonicContact NH1-OE2 3.77Å; R473-E476 PolarHBondContact NH1-OE2 3.11Å; R473-E476 PolarHBondContact O-N 2.89Å; E476-N478 VanDerWaalsContact C-N 3.28Å; E476-N478 PolarHBondContact O-N 3.3Å; E476-A479 PolarHBondContact O-N 2.97Å; E476-A479 VanDerWaalsContact O-N 3.15Å; E476-E480 WeakPolarHBondContact O-CG 3.22Å; E476-E480 PolarHBondContact O-N 3.34Å
477I88.1Confident85.1Confident0 Ų061.9 Ų61.90%032%0.318CS..Hα-helixtrans-58.9-44.2177.8-70.5164.1000109.3R473 I474 A479 E480 L481 L687 E690 L691 Q694R473-I477 HydrophobicContact CG-CD1 3.84Å; R473-I477 HydrophobicContact CG-CG1 4.22Å; R473-I477 VanDerWaalsContact O-CB 3.32Å; R473-I477 WeakPolarHBondContact O-CB 3.49Å; R473-I477 WeakPolarHBondContact O-CD1 3.38Å; R473-I477 WeakPolarHBondContact O-CG1 3.28Å; R473-I477 PolarHBondContact O-N 3.42Å; I474-I477 PolarHBondContact O-N 3.08Å; I477-A479 VanDerWaalsContact C-N 3.32Å; I477-A479 PolarHBondContact O-N 3.4Å; I477-E480 PolarHBondContact O-N 3.24Å; I477-L481 HydrophobicContact CG2-CD1 4.22Å; I477-L481 WeakPolarHBondContact O-CB 3.25Å; I477-L481 PolarHBondContact O-N 2.91Å; I477-L687 HydrophobicContact CG2-CB 4.3Å; I477-L687 HydrophobicContact CG2-CD2 4.35Å; I477-E690 HydrophobicContact CD1-CB 3.97Å; I477-E690 HydrophobicContact CD1-CG 3.63Å; I477-L691 HydrophobicContact CG2-CB 4Å; I477-L691 HydrophobicContact CG2-CD1 4.31Å; I477-Q694 HydrophobicContact CD1-CG 3.87Å
478N85.5Confident84.2Confident71 Ų7161.4 Ų61.438%0.3832%0.315SS..Hα-helixtrans-60.7-41.2178.2-75-32.8000111.8I474 D475 E476 L481 E482I474-N478 WeakPolarHBondContact CG2-ND2 3.23Å; I474-N478 WeakPolarHBondContact O-CB 3.41Å; I474-N478 PolarHBondContact O-N 2.92Å; I474-N478 PolarHBondContact O-ND2 3.38Å; I474-N478 VanDerWaalsContact O-ND2 3.07Å; D475-N478 PolarHBondContact O-N 3.13Å; E476-N478 VanDerWaalsContact C-N 3.28Å; E476-N478 PolarHBondContact O-N 3.3Å; N478-L481 PolarHBondContact O-N 2.88Å; N478-E482 VanDerWaalsContact O-CB 3.3Å; N478-E482 WeakPolarHBondContact O-CB 3.15Å; N478-E482 PolarHBondContact O-N 3.5Å
479A86.8Confident82.9Confident48 Ų4859.1 Ų59.140%0.39731%0.311SS..Hα-helixtrans-67.2-40.1175.300000112.8D475 E476 I477 E482 T483D475-A479 PolarHBondContact O-N 3.46Å; E476-A479 PolarHBondContact O-N 2.97Å; E476-A479 VanDerWaalsContact O-N 3.15Å; I477-A479 VanDerWaalsContact C-N 3.32Å; I477-A479 PolarHBondContact O-N 3.4Å; A479-E482 PolarHBondContact O-N 2.94Å; A479-T483 PolarHBondContact O-N 2.8Å; A479-T483 PolarHBondContact O-OG1 3.28Å
480E86.9Confident81.7Confident65 Ų6561.3 Ų61.330%0.30432%0.319SS..Hα-helixtrans-64.6-42.3173.3-72.4-174.5-133.400111.3R473 E476 I477 T483 V484 L687R473-E480 IonicContact CZ-OE1 3.98Å; R473-E480 IonicContact NH1-OE1 2.77Å; R473-E480 PolarHBondContact NH1-OE1 3.12Å; R473-E480 IonicContact NH2-OE1 3.19Å; E476-E480 WeakPolarHBondContact O-CG 3.22Å; E476-E480 PolarHBondContact O-N 3.34Å; I477-E480 PolarHBondContact O-N 3.24Å; E480-T483 WeakPolarHBondContact O-CB 3.35Å; E480-T483 PolarHBondContact O-N 3.2Å; E480-V484 WeakPolarHBondContact O-CB 3.48Å; E480-V484 WeakPolarHBondContact O-CG2 3.18Å; E480-V484 PolarHBondContact O-N 3.36Å; E480-L687 HydrophobicContact CB-CD1 3.94Å; E480-L687 HydrophobicContact CB-CD2 4.26Å; E480-L687 WeakPolarHBondContact OE2-CD2 3.45Å
481L85.3Confident80.2Confident26 Ų2662.8 Ų62.814%0.13633%0.331CS..Hα-helixtrans-67.6-39.2179.7-147145000109.9I477 N478 V484 V485 L687 Q688I477-L481 HydrophobicContact CG2-CD1 4.22Å; I477-L481 WeakPolarHBondContact O-CB 3.25Å; I477-L481 PolarHBondContact O-N 2.91Å; N478-L481 PolarHBondContact O-N 2.88Å; L481-V484 PolarHBondContact O-N 3.16Å; L481-V485 HydrophobicContact CD2-CG2 3.85Å; L481-V485 WeakPolarHBondContact O-CA 3.36Å; L481-V485 WeakPolarHBondContact O-CB 3.28Å; L481-V485 WeakPolarHBondContact O-CG2 3.29Å; L481-V485 PolarHBondContact O-N 3.3Å; L481-L687 HydrophobicContact CD1-CB 3.93Å; L481-L687 HydrophobicContact CG-CB 4.41Å; L481-Q688 HydrophobicContact CD1-CG 3.82Å
482E82.2Confident78.3Confident133 Ų13365.6 Ų65.662%0.62134%0.34SS*.Hα-helixtrans-60.1-47.2170.4-173.2171.8-160.600111N478 A479 V484 V485 C486N478-E482 VanDerWaalsContact O-CB 3.3Å; N478-E482 WeakPolarHBondContact O-CB 3.15Å; N478-E482 PolarHBondContact O-N 3.5Å; A479-E482 PolarHBondContact O-N 2.94Å; E482-V484 PolarHBondContact O-N 2.89Å; E482-V485 CarbonylContact O-C 3.55Å; E482-V485 PolarHBondContact O-N 3.1Å; E482-C486 WeakPolarHBondContact O-CB 3.28Å; E482-C486 PolarHBondContact O-N 2.99Å; E482-C486 PolarHBondContact O-SG 2.84Å; E482-C486 VanDerWaalsContact O-SG 3.37Å
483T83Confident76.4Confident77 Ų7763.6 Ų63.647%0.47235%0.345SS..Hα-helixtrans-61.2-47.4176.8-55.10000112.1A479 E480 V485 C486 Q487A479-T483 PolarHBondContact O-N 2.8Å; A479-T483 PolarHBondContact O-OG1 3.28Å; E480-T483 WeakPolarHBondContact O-CB 3.35Å; E480-T483 PolarHBondContact O-N 3.2Å; T483-V485 VanDerWaalsContact C-N 3.35Å; T483-C486 PolarHBondContact O-N 3.39Å; T483-Q487 WeakPolarHBondContact O-CG 3.19Å; T483-Q487 PolarHBondContact O-N 3.42Å
484V81Confident74.5Confident3 Ų366.8 Ų66.82%0.01836%0.363CS..Hα-helixtrans-67.8-36.1178.7172.40000110.9E480 L481 E482 Q487 L488 K683 R684 L687E480-V484 WeakPolarHBondContact O-CB 3.48Å; E480-V484 WeakPolarHBondContact O-CG2 3.18Å; E480-V484 PolarHBondContact O-N 3.36Å; L481-V484 PolarHBondContact O-N 3.16Å; E482-V484 PolarHBondContact O-N 2.89Å; V484-Q487 PolarHBondContact O-N 3.47Å; V484-L488 HydrophobicContact CG1-CD1 3.93Å; V484-L488 HydrophobicContact CG1-CG 4.32Å; V484-L488 WeakPolarHBondContact O-CB 3.5Å; V484-L488 VanDerWaalsContact O-CG 3.24Å; V484-L488 WeakPolarHBondContact O-CG 3.47Å; V484-L488 PolarHBondContact O-N 3.25Å; V484-K683 HydrophobicContact CG2-CD 3.97Å; V484-K683 HydrophobicContact CG2-CG 4.28Å; V484-R684 HydrophobicContact CG1-CB 3.97Å; V484-L687 HydrophobicContact CG2-CD1 4.1Å
485V75.8Confident72.7Confident73 Ų7370.1 Ų70.144%0.44237%0.374SS..Hα-helixtrans-70.2-34.9174.7168.20000111.1L481 E482 T483 L488 G489L481-V485 HydrophobicContact CD2-CG2 3.85Å; L481-V485 WeakPolarHBondContact O-CA 3.36Å; L481-V485 WeakPolarHBondContact O-CB 3.28Å; L481-V485 WeakPolarHBondContact O-CG2 3.29Å; L481-V485 PolarHBondContact O-N 3.3Å; E482-V485 CarbonylContact O-C 3.55Å; E482-V485 PolarHBondContact O-N 3.1Å; T483-V485 VanDerWaalsContact C-N 3.35Å; V485-L488 CarbonylContact O-C 3.59Å; V485-G489 VanDerWaalsContact O-CA 3.29Å; V485-G489 WeakPolarHBondContact O-CA 3.38Å; V485-G489 PolarHBondContact O-N 2.8Å
486C76.2Confident70.8Confident69 Ų6971.8 Ų71.847%0.46638%0.379SS..Hα-helixtrans-65.7-48.3170.4-78.80000111.2E482 T483 L488 G489 E490E482-C486 WeakPolarHBondContact O-CB 3.28Å; E482-C486 PolarHBondContact O-N 2.99Å; E482-C486 PolarHBondContact O-SG 2.84Å; E482-C486 VanDerWaalsContact O-SG 3.37Å; T483-C486 PolarHBondContact O-N 3.39Å; C486-L488 PolarHBondContact O-N 3.22Å; C486-G489 CarbonylContact O-C 3.57Å; C486-G489 VanDerWaalsContact O-CA 3.28Å; C486-G489 WeakPolarHBondContact O-CA 3.42Å; C486-G489 PolarHBondContact O-N 3.28Å; C486-E490 WeakPolarHBondContact O-CG 3.39Å; C486-E490 PolarHBondContact O-N 3.48Å
487Q71.5Confident69Low84 Ų8474.9 Ų74.939%0.39339%0.393SS..Hα-helixtrans-61.9-43.3175.5-72.5175.3-12.300112.2T483 V484 G489 A491 L680T483-Q487 WeakPolarHBondContact O-CG 3.19Å; T483-Q487 PolarHBondContact O-N 3.42Å; V484-Q487 PolarHBondContact O-N 3.47Å; Q487-G489 PolarHBondContact O-N 2.88Å; Q487-A491 VanDerWaalsContact O-CB 3.23Å; Q487-A491 WeakPolarHBondContact O-CB 3.29Å; Q487-A491 PolarHBondContact O-N 3.02Å; Q487-L680 HydrophobicContact CB-CD1 4.31Å
488L69.9Low67.4Low2 Ų276.7 Ų76.71%0.0141%0.406CS..Hα-helixtrans-65.9-30.5171.2-77.3172.3000111V484 V485 C486 A491 K492 I677 L680 M681 R684V484-L488 HydrophobicContact CG1-CD1 3.93Å; V484-L488 HydrophobicContact CG1-CG 4.32Å; V484-L488 WeakPolarHBondContact O-CB 3.5Å; V484-L488 VanDerWaalsContact O-CG 3.24Å; V484-L488 WeakPolarHBondContact O-CG 3.47Å; V484-L488 PolarHBondContact O-N 3.25Å; V485-L488 CarbonylContact O-C 3.59Å; C486-L488 PolarHBondContact O-N 3.22Å; L488-A491 CarbonylContact O-C 3.48Å; L488-K492 WeakPolarHBondContact O-CA 3.4Å; L488-K492 WeakPolarHBondContact O-CB 3.08Å; L488-K492 WeakPolarHBondContact O-CD 3.38Å; L488-K492 WeakPolarHBondContact O-CG 3.4Å; L488-K492 PolarHBondContact O-N 2.88Å; L488-I677 HydrophobicContact CD2-CG2 4.36Å; L488-L680 HydrophobicContact CD2-CB 3.65Å; L488-L680 HydrophobicContact CG-CB 4.03Å; L488-M681 HydrophobicContact CD2-CG 3.89Å; L488-R684 HydrophobicContact CD1-CB 4.01Å; L488-R684 HydrophobicContact CD1-CG 4.41Å
489G60.8Low66Low25 Ų2577.2 Ų77.226%0.25842%0.415SS..Hα-helixtrans-67.9-53.1176.900000110.5V485 C486 Q487 A491 K492 V493V485-G489 VanDerWaalsContact O-CA 3.29Å; V485-G489 WeakPolarHBondContact O-CA 3.38Å; V485-G489 PolarHBondContact O-N 2.8Å; C486-G489 CarbonylContact O-C 3.57Å; C486-G489 VanDerWaalsContact O-CA 3.28Å; C486-G489 WeakPolarHBondContact O-CA 3.42Å; C486-G489 PolarHBondContact O-N 3.28Å; Q487-G489 PolarHBondContact O-N 2.88Å; G489-A491 VanDerWaalsContact C-N 3.29Å; G489-A491 PolarHBondContact O-N 3.34Å; G489-K492 CarbonylContact O-C 3.59Å; G489-K492 WeakPolarHBondContact O-CA 3.44Å; G489-K492 PolarHBondContact O-N 2.77Å; G489-V493 WeakPolarHBondContact O-CG2 3.09Å; G489-V493 PolarHBondContact O-N 2.96Å
490E62Low64.7Low151 Ų15181.6 Ų81.671%0.70642%0.421SS*.Hα-helixtrans-56.3-42.3171.8-68.9174175.500111.4C486C486-E490 WeakPolarHBondContact O-CG 3.39Å; C486-E490 PolarHBondContact O-N 3.48Å
491A55.7Low63.5Low32 Ų3280.6 Ų80.626%0.26443%0.425SS..Hα-helixtrans-74.4-20.7173.200000113.9Q487 L488 G489 I677Q487-A491 VanDerWaalsContact O-CB 3.23Å; Q487-A491 WeakPolarHBondContact O-CB 3.29Å; Q487-A491 PolarHBondContact O-N 3.02Å; L488-A491 CarbonylContact O-C 3.48Å; G489-A491 VanDerWaalsContact C-N 3.29Å; G489-A491 PolarHBondContact O-N 3.34Å; A491-I677 HydrophobicContact CB-CD1 4.44Å; A491-I677 HydrophobicContact CB-CG1 4.33Å
492K48.8Very low62.5Low97 Ų9782 Ų8242%0.42244%0.439SS..Hα-helixtrans-92-17.9177.8-84170.9176.9-174.70112.7L488 G489 E494 R495L488-K492 WeakPolarHBondContact O-CA 3.4Å; L488-K492 WeakPolarHBondContact O-CB 3.08Å; L488-K492 WeakPolarHBondContact O-CD 3.38Å; L488-K492 WeakPolarHBondContact O-CG 3.4Å; L488-K492 PolarHBondContact O-N 2.88Å; G489-K492 CarbonylContact O-C 3.59Å; G489-K492 WeakPolarHBondContact O-CA 3.44Å; G489-K492 PolarHBondContact O-N 2.77Å; K492-E494 PolarHBondContact O-N 2.84Å; K492-E494 VanDerWaalsContact O-N 3.13Å; K492-R495 HydrophobicContact CB-CB 4.49Å; K492-R495 WeakPolarHBondContact O-CB 3.47Å; K492-R495 PolarHBondContact O-N 3.36Å
493V49.4Very low61.9Low118 Ų11882.2 Ų82.272%0.71544%0.439SS*.THydrogen-bonded Turntrans-64.5-15.1178.1164.70000111.4G489G489-V493 WeakPolarHBondContact O-CG2 3.09Å; G489-V493 PolarHBondContact O-N 2.96Å
494E50Low61.2Low122 Ų12281.3 Ų81.357%0.5743%0.428SS*.THydrogen-bonded Turntrans-104.63.9169.4-70.5-177.7169.800114.5K492 H496 R670K492-E494 PolarHBondContact O-N 2.84Å; K492-E494 VanDerWaalsContact O-N 3.13Å; E494-H496 PolarHBondContact O-N 2.86Å; E494-R670 IonicContact OE1-CZ 3.81Å; E494-R670 IonicContact OE1-NH1 3.76Å; E494-R670 PolarHBondContact OE1-NH1 2.64Å; E494-R670 WeakPolarHBondContact OE2-CD 3.4Å; E494-R670 IonicContact OE2-CZ 2.88Å; E494-R670 IonicContact OE2-NE 3.32Å; E494-R670 IonicContact OE2-NH1 3.85Å; E494-R670 PolarHBondContact OE2-NH1 3.24Å
495R50.8Low60.8Low78 Ų7884 Ų8429%0.29444%0.44SS..G310 helixtrans-87.722.8-171.2-96.9-176.1158.7-170.8-6.1116K492 E497 S498 I677K492-R495 HydrophobicContact CB-CB 4.49Å; K492-R495 WeakPolarHBondContact O-CB 3.47Å; K492-R495 PolarHBondContact O-N 3.36Å; R495-E497 PolarHBondContact O-N 3.38Å; R495-S498 WeakPolarHBondContact O-CB 3.06Å; R495-S498 PolarHBondContact O-N 3.27Å; R495-I677 VanDerWaalsContact NH2-CG2 3.35Å
496H47.6Very low60.9Low135 Ų13586 Ų8663%0.62545%0.445SS*.G310 helixtrans-65.4-5.3172.4-87.4-71.4000114.1E494 R1005E494-H496 PolarHBondContact O-N 2.86Å; H496-R1005 PolarHBondContact ND1-NH1 3.04Å
497E51.1Low61.1Low163 Ų16383 Ų8376%0.76242%0.424SS*.G310 helixtrans-88.8-0.5164.9-76.2-170.3142.100114.6R495 S499 R500 A501R495-E497 PolarHBondContact O-N 3.38Å; E497-S499 PolarHBondContact O-N 3.05Å; E497-R500 PolarHBondContact O-N 3.03Å; E497-A501 PolarHBondContact O-N 2.87Å
498S55.6Low61.5Low38 Ų3879.3 Ų79.327%0.26641%0.407SS..Hα-helixtrans-72.1-20.6-165.3-173.30000116.2R495 A502R495-S498 WeakPolarHBondContact O-CB 3.06Å; R495-S498 PolarHBondContact O-N 3.27Å; S498-A502 WeakPolarHBondContact O-CB 3.21Å; S498-A502 PolarHBondContact O-N 3.21Å
499S55.5Low62.1Low83 Ų8384.6 Ų84.658%0.5843%0.432SS*.Hα-helixtrans-73.5-41.3174.8178.20000111.1E497 K503E497-S499 PolarHBondContact O-N 3.05Å; S499-K503 WeakPolarHBondContact O-CB 3.15Å; S499-K503 VanDerWaalsContact O-CG 3.3Å; S499-K503 WeakPolarHBondContact O-CG 3.45Å; S499-K503 PolarHBondContact O-N 3.36Å
500R60.5Low63.2Low139 Ų13985.9 Ų85.953%0.52543%0.433SS..Hα-helixtrans-68.5-43.2172.3-94-179.4168.7165.1-4.7111.4E497 K503 K504 E569E497-R500 PolarHBondContact O-N 3.03Å; R500-K503 PolarHBondContact O-N 3.14Å; R500-K504 VanDerWaalsContact O-CB 3.3Å; R500-K504 WeakPolarHBondContact O-CB 3.32Å; R500-K504 VanDerWaalsContact O-CG 3.26Å; R500-K504 WeakPolarHBondContact O-CG 3.37Å; R500-K504 PolarHBondContact O-N 3.37Å; R500-E569 IonicContact CZ-OE1 2.81Å; R500-E569 IonicContact CZ-OE2 3.48Å; R500-E569 IonicContact NE-OE1 3.19Å; R500-E569 PolarHBondContact NE-OE1 2.66Å; R500-E569 IonicContact NE-OE2 2.7Å; R500-E569 IonicContact NH2-OE1 3.59Å; R500-E569 PolarHBondContact NH2-OE1 2.74Å; R500-E569 IonicContact NH2-OE2 3.82Å
501A61.1Low64.4Low45 Ų4578.7 Ų78.737%0.37240%0.399SS..Hα-helixtrans-64.4-39.5177.200000112.5E497 K504 Q505E497-A501 PolarHBondContact O-N 2.87Å; A501-K504 PolarHBondContact O-N 3.1Å; A501-Q505 WeakPolarHBondContact O-CB 3.47Å; A501-Q505 PolarHBondContact O-N 3.02Å
502A65Low65.7Low54 Ų5480.9 Ų80.945%0.44640%0.403SS..Hα-helixtrans-66.9-45.2175.200000112S498 K504 Q505 E506S498-A502 WeakPolarHBondContact O-CB 3.21Å; S498-A502 PolarHBondContact O-N 3.21Å; A502-K504 VanDerWaalsContact C-N 3.3Å; A502-K504 PolarHBondContact O-N 3.19Å; A502-Q505 PolarHBondContact O-N 3.47Å; A502-E506 WeakPolarHBondContact O-CB 3.3Å; A502-E506 PolarHBondContact O-N 3.43Å
503K68.9Low67.4Low139 Ų13986.3 Ų86.360%0.60442%0.421SS*.Hα-helixtrans-62.6-35.8173.8-74.8-179.1-179.7-175.10112.6S499 R500 L507S499-K503 WeakPolarHBondContact O-CB 3.15Å; S499-K503 VanDerWaalsContact O-CG 3.3Å; S499-K503 WeakPolarHBondContact O-CG 3.45Å; S499-K503 PolarHBondContact O-N 3.36Å; R500-K503 PolarHBondContact O-N 3.14Å; K503-L507 VanDerWaalsContact O-CB 3.28Å; K503-L507 WeakPolarHBondContact O-CB 3.3Å; K503-L507 PolarHBondContact O-N 3.4Å
504K68.4Low69.1Low58 Ų5884.8 Ų84.825%0.25241%0.408SS..Hα-helixtrans-68.4-40.3174-78.2-174.5-177.9-141.30111.9R500 A501 A502 L507 I508 E571R500-K504 VanDerWaalsContact O-CB 3.3Å; R500-K504 WeakPolarHBondContact O-CB 3.32Å; R500-K504 VanDerWaalsContact O-CG 3.26Å; R500-K504 WeakPolarHBondContact O-CG 3.37Å; R500-K504 PolarHBondContact O-N 3.37Å; A501-K504 PolarHBondContact O-N 3.1Å; A502-K504 VanDerWaalsContact C-N 3.3Å; A502-K504 PolarHBondContact O-N 3.19Å; K504-L507 WeakPolarHBondContact O-CB 3.47Å; K504-L507 PolarHBondContact O-N 3.23Å; K504-I508 VanDerWaalsContact O-CD1 3.31Å; K504-I508 WeakPolarHBondContact O-CD1 3.45Å; K504-I508 VanDerWaalsContact O-CG1 3.22Å; K504-I508 WeakPolarHBondContact O-CG1 3.24Å; K504-I508 PolarHBondContact O-N 3.07Å; K504-E571 WeakPolarHBondContact CD-OE1 3.39Å; K504-E571 WeakPolarHBondContact CE-OE1 3.16Å; K504-E571 IonicContact NZ-OE1 3.14Å; K504-E571 PolarHBondContact NZ-OE1 3.41Å; K504-E571 IonicContact NZ-OE2 3.62Å
505Q72Confident70.9Confident58 Ų5880.6 Ų80.627%0.27139%0.388SS..Hα-helixtrans-63.9-46.4174.5-175.96329.800111A501 A502 L507 I508 E509A501-Q505 WeakPolarHBondContact O-CB 3.47Å; A501-Q505 PolarHBondContact O-N 3.02Å; A502-Q505 PolarHBondContact O-N 3.47Å; Q505-L507 VanDerWaalsContact C-N 3.32Å; Q505-L507 PolarHBondContact O-N 3.15Å; Q505-I508 PolarHBondContact O-N 2.83Å; Q505-I508 VanDerWaalsContact O-N 3.15Å; Q505-E509 PolarHBondContact NE2-OE1 3.12Å; Q505-E509 PolarHBondContact O-N 3.2Å
506E79.1Confident72.5Confident116 Ų11682.6 Ų82.654%0.54241%0.411SS..Hα-helixtrans-60.4-41.5174.9-173.3-177.6179.900111.4A502 E509 N510A502-E506 WeakPolarHBondContact O-CB 3.3Å; A502-E506 PolarHBondContact O-N 3.43Å; E506-E509 PolarHBondContact O-N 2.79Å; E506-N510 VanDerWaalsContact O-CB 3.27Å; E506-N510 WeakPolarHBondContact O-CB 3.42Å; E506-N510 PolarHBondContact O-N 3.32Å; E506-N510 PolarHBondContact O-ND2 3.15Å
507L79.8Confident74.2Confident7 Ų776.7 Ų76.74%0.03739%0.386CS..Hα-helixtrans-57.8-49.7171.516771.1000111.2K503 K504 Q505 E509 N510 L511 M563 I568 E571K503-L507 VanDerWaalsContact O-CB 3.28Å; K503-L507 WeakPolarHBondContact O-CB 3.3Å; K503-L507 PolarHBondContact O-N 3.4Å; K504-L507 WeakPolarHBondContact O-CB 3.47Å; K504-L507 PolarHBondContact O-N 3.23Å; Q505-L507 VanDerWaalsContact C-N 3.32Å; Q505-L507 PolarHBondContact O-N 3.15Å; L507-E509 VanDerWaalsContact C-N 3.33Å; L507-E509 PolarHBondContact O-N 3.16Å; L507-N510 CarbonylContact O-C 3.46Å; L507-N510 PolarHBondContact O-N 2.81Å; L507-L511 HydrophobicContact CD1-CD1 3.89Å; L507-L511 HydrophobicContact CD1-CD2 4.39Å; L507-L511 HydrophobicContact CD1-CG 3.88Å; L507-L511 HydrophobicContact CD2-CD1 4.48Å; L507-L511 HydrophobicContact CG-CD1 3.95Å; L507-L511 HydrophobicContact CG-CG 4.27Å; L507-L511 WeakPolarHBondContact O-CB 3.34Å; L507-L511 VanDerWaalsContact O-CG 3.28Å; L507-L511 WeakPolarHBondContact O-CG 3.4Å; L507-L511 PolarHBondContact O-N 3.33Å; L507-M563 HydrophobicContact CD1-CG 3.82Å; L507-M563 HydrophobicContact CD1-SD 4.45Å; L507-M563 HydrophobicContact CD2-CE 3.98Å; L507-M563 HydrophobicContact CD2-SD 4.35Å; L507-I568 HydrophobicContact CD1-CD1 3.36Å; L507-I568 HydrophobicContact CD1-CG2 4.09Å; L507-I568 HydrophobicContact CD2-CG2 3.63Å; L507-I568 HydrophobicContact CG-CD1 4.41Å; L507-I568 HydrophobicContact CG-CG2 4.32Å; L507-E571 HydrophobicContact CD2-CG 4.31Å
508I80.1Confident76.1Confident6 Ų669.3 Ų69.33%0.03135%0.353CS..Hα-helixtrans-65.2-39.4-177.6-69157000110.6K504 Q505 L511 K512 R521K504-I508 VanDerWaalsContact O-CD1 3.31Å; K504-I508 WeakPolarHBondContact O-CD1 3.45Å; K504-I508 VanDerWaalsContact O-CG1 3.22Å; K504-I508 WeakPolarHBondContact O-CG1 3.24Å; K504-I508 PolarHBondContact O-N 3.07Å; Q505-I508 PolarHBondContact O-N 2.83Å; Q505-I508 VanDerWaalsContact O-N 3.15Å; I508-L511 PolarHBondContact O-N 3.16Å; I508-K512 HydrophobicContact CG2-CD 4.23Å; I508-K512 HydrophobicContact CG2-CG 4.4Å; I508-K512 WeakPolarHBondContact O-CB 3.22Å; I508-K512 VanDerWaalsContact O-CG 3.3Å; I508-K512 WeakPolarHBondContact O-CG 3.34Å; I508-K512 PolarHBondContact O-N 3.09Å; I508-R521 HydrophobicContact CD1-CG 3.53Å; I508-R521 VanDerWaalsContact CD1-NE 3.31Å; I508-R521 HydrophobicContact CG1-CG 4.5Å
509E82.1Confident77.5Confident112 Ų11270.6 Ų70.652%0.52335%0.354SS..Hα-helixtrans-65.1-41174.1-75.5176.9-165.700111.6Q505 E506 L507 K512 R513Q505-E509 PolarHBondContact NE2-OE1 3.12Å; Q505-E509 PolarHBondContact O-N 3.2Å; E506-E509 PolarHBondContact O-N 2.79Å; L507-E509 VanDerWaalsContact C-N 3.33Å; L507-E509 PolarHBondContact O-N 3.16Å; E509-K512 PolarHBondContact O-N 2.92Å; E509-R513 VanDerWaalsContact O-CB 3.23Å; E509-R513 WeakPolarHBondContact O-CB 3.37Å; E509-R513 PolarHBondContact O-N 3.5Å
510N83.9Confident79Confident53 Ų5366.7 Ų66.728%0.28333%0.327SS..Hα-helixtrans-64-42.1173-73.5-25.8000111.6E506 L507 R513 L514E506-N510 VanDerWaalsContact O-CB 3.27Å; E506-N510 WeakPolarHBondContact O-CB 3.42Å; E506-N510 PolarHBondContact O-N 3.32Å; E506-N510 PolarHBondContact O-ND2 3.15Å; L507-N510 CarbonylContact O-C 3.46Å; L507-N510 PolarHBondContact O-N 2.81Å; N510-R513 PolarHBondContact O-N 3.07Å; N510-L514 VanDerWaalsContact O-CB 3.29Å; N510-L514 WeakPolarHBondContact O-CB 3.35Å; N510-L514 WeakPolarHBondContact O-CG 3.26Å; N510-L514 PolarHBondContact O-N 3.22Å
511L86.1Confident80.3Confident0 Ų060.8 Ų60.80%030%0.304CS..Hα-helixtrans-65.8-43.8176.3-71.4177.4000111.6L507 I508 R513 L514 F515 V518 I548 C559 Y562 M563 F573L507-L511 HydrophobicContact CD1-CD1 3.89Å; L507-L511 HydrophobicContact CD1-CD2 4.39Å; L507-L511 HydrophobicContact CD1-CG 3.88Å; L507-L511 HydrophobicContact CD2-CD1 4.48Å; L507-L511 HydrophobicContact CG-CD1 3.95Å; L507-L511 HydrophobicContact CG-CG 4.27Å; L507-L511 WeakPolarHBondContact O-CB 3.34Å; L507-L511 VanDerWaalsContact O-CG 3.28Å; L507-L511 WeakPolarHBondContact O-CG 3.4Å; L507-L511 PolarHBondContact O-N 3.33Å; I508-L511 PolarHBondContact O-N 3.16Å; L511-R513 VanDerWaalsContact C-N 3.26Å; L511-R513 PolarHBondContact O-N 3.21Å; L511-L514 PolarHBondContact O-N 3.29Å; L511-F515 HydrophobicContact CD2-CD2 3.9Å; L511-F515 HydrophobicContact CD2-CE2 4.01Å; L511-F515 WeakPolarHBondContact O-CA 3.49Å; L511-F515 WeakPolarHBondContact O-CB 3.35Å; L511-F515 PolarHBondContact O-N 2.94Å; L511-V518 HydrophobicContact CB-CG1 4.44Å; L511-V518 HydrophobicContact CB-CG2 4.49Å; L511-I548 HydrophobicContact CD1-CD1 4.06Å; L511-C559 HydrophobicContact CD2-CB 3.89Å; L511-Y562 HydrophobicContact CD2-CD1 3.78Å; L511-Y562 HydrophobicContact CD2-CE1 4.37Å; L511-M563 HydrophobicContact CD1-SD 4.2Å; L511-F573 HydrophobicContact CD1-CZ 4.26Å
512K84Confident81.4Confident78 Ų7858.7 Ų58.734%0.33929%0.287SS..Hα-helixtrans-61-36173.4-74.8-179.8-175.9-178.90111.6I508 E509 V518 H519 E524I508-K512 HydrophobicContact CG2-CD 4.23Å; I508-K512 HydrophobicContact CG2-CG 4.4Å; I508-K512 WeakPolarHBondContact O-CB 3.22Å; I508-K512 VanDerWaalsContact O-CG 3.3Å; I508-K512 WeakPolarHBondContact O-CG 3.34Å; I508-K512 PolarHBondContact O-N 3.09Å; E509-K512 PolarHBondContact O-N 2.92Å; K512-V518 HydrophobicContact CG-CG1 4.18Å; K512-H519 VanDerWaalsContact CE-O 3.28Å; K512-H519 WeakPolarHBondContact CE-O 3.41Å; K512-E524 IonicContact NZ-OE2 2.68Å; K512-E524 PolarHBondContact NZ-OE2 2.88Å
513R84.3Confident82.4Confident211 Ų21156.8 Ų56.880%0.79627%0.269SS*.Hα-helixtrans-74.8-38.2178.8-175.1178.7177-175-0.8113E509 N510 L511E509-R513 VanDerWaalsContact O-CB 3.23Å; E509-R513 WeakPolarHBondContact O-CB 3.37Å; E509-R513 PolarHBondContact O-N 3.5Å; N510-R513 PolarHBondContact O-N 3.07Å; L511-R513 VanDerWaalsContact C-N 3.26Å; L511-R513 PolarHBondContact O-N 3.21Å
514L85.4Confident82.9Confident85 Ų8552.9 Ų52.945%0.44525%0.253SS..Hα-helixtrans-86.7-34.3-176.7-68.6169.1000112.7N510 L511 Y562N510-L514 VanDerWaalsContact O-CB 3.29Å; N510-L514 WeakPolarHBondContact O-CB 3.35Å; N510-L514 WeakPolarHBondContact O-CG 3.26Å; N510-L514 PolarHBondContact O-N 3.22Å; L511-L514 PolarHBondContact O-N 3.29Å; L514-Y562 HydrophobicContact CD1-CD1 4.27Å; L514-Y562 HydrophobicContact CD1-CD2 3.94Å; L514-Y562 HydrophobicContact CD1-CE1 3.74Å; L514-Y562 HydrophobicContact CD1-CE2 3.36Å; L514-Y562 HydrophobicContact CD1-CG 4.36Å; L514-Y562 WeakPolarHBondContact CD1-OH 3.16Å
515F87.7Confident83.6Confident35 Ų3550.9 Ų50.915%0.15425%0.245CC..  trans-127.695.4-173.9-55.8-76.2000110.1L511 G517 V518 T555 E558 C559 Y562L511-F515 HydrophobicContact CD2-CD2 3.9Å; L511-F515 HydrophobicContact CD2-CE2 4.01Å; L511-F515 WeakPolarHBondContact O-CA 3.49Å; L511-F515 WeakPolarHBondContact O-CB 3.35Å; L511-F515 PolarHBondContact O-N 2.94Å; F515-G517 PolarHBondContact O-N 3.48Å; F515-V518 HydrophobicContact CB-CG2 3.94Å; F515-V518 WeakPolarHBondContact O-CB 3.42Å; F515-V518 PolarHBondContact O-N 3.49Å; F515-T555 HydrophobicContact CB-CG2 4.15Å; F515-E558 HydrophobicContact CD1-CB 4.09Å; F515-E558 HydrophobicContact CE1-CB 3.63Å; F515-E558 HydrophobicContact CZ-CB 4.24Å; F515-C559 WeakPolarHBondContact CD2-SG 3.31Å; F515-C559 VanDerWaalsContact CG-SG 3.6Å; F515-Y562 HydrophobicContact CE2-CD1 4.41Å; F515-Y562 HydrophobicContact CE2-CG 4.05Å; F515-Y562 HydrophobicContact CZ-CG 4.46Å
516P83.8Confident84.2Confident120 Ų12048.5 Ų48.578%0.77923%0.234SC*.THydrogen-bonded Turntrans-56.6-22.6-177.9-26.634.4000114.9V518P516-V518 PolarHBondContact O-N 3.43Å
517G84.8Confident84.5Confident10 Ų1047.8 Ų47.810%0.10323%0.231CC..THydrogen-bonded Turntrans-72.4-2.5176.600000114.9F515 C550 D551F515-G517 PolarHBondContact O-N 3.48Å; G517-C550 CarbonylContact O-C 3.43Å; G517-C550 WeakPolarHBondContact O-CA 3.46Å; G517-C550 WeakPolarHBondContact O-CB 3.4Å; G517-D551 WeakPolarHBondContact CA-OD1 3.43Å; G517-D551 WeakPolarHBondContact CA-OD2 3.25Å; G517-D551 PolarHBondContact O-N 3.32Å
518V89.2Confident84.8Confident9 Ų947.9 Ų47.96%0.05523%0.232CC..EExtended strand (participates in β ladder)trans-90.6115.1177.1178.40000110.5L511 K512 F515 P516 I548 T555 C559L511-V518 HydrophobicContact CB-CG1 4.44Å; L511-V518 HydrophobicContact CB-CG2 4.49Å; K512-V518 HydrophobicContact CG-CG1 4.18Å; F515-V518 HydrophobicContact CB-CG2 3.94Å; F515-V518 WeakPolarHBondContact O-CB 3.42Å; F515-V518 PolarHBondContact O-N 3.49Å; P516-V518 PolarHBondContact O-N 3.43Å; V518-I548 HydrophobicContact CG1-CG2 3.63Å; V518-T555 HydrophobicContact CG2-CG2 4.04Å; V518-C559 WeakPolarHBondContact CG2-SG 3.41Å
519H86.5Confident85.1Confident65 Ų6550 Ų5030%0.30125%0.247SC..EExtended strand (participates in β ladder)trans-82.3-32.3178.8-63.5-64.3000112.9K512 M525 V549K512-H519 VanDerWaalsContact CE-O 3.28Å; K512-H519 WeakPolarHBondContact CE-O 3.41Å; H519-M525 HydrophobicContact CB-CE 4.2Å; H519-M525 HydrophobicContact CB-SD 3.77Å; H519-V549 HydrophobicContact CB-CB 4.41Å; H519-V549 PolarHBondContact N-O 2.83Å
520G86.6Confident85.3Confident0 Ų049.8 Ų49.80%025%0.246CC..EExtended strand (participates in β ladder)trans129.3-164.5-179.900000113M525 I548 V549G520-M525 WeakPolarHBondContact O-CE 3.26Å; G520-I548 CarbonylContact O-C 3.44Å; G520-I548 WeakPolarHBondContact O-CA 3.39Å; G520-V549 PolarHBondContact O-N 3.46Å
521R86.9Confident85.3Confident16 Ų1655.7 Ų55.76%0.0627%0.265CS..EExtended strand (participates in β ladder)trans-80.4147.4177.6-71.7176.4-68.5179.31.8111.9I508 L523 E524 M525 A547I508-R521 HydrophobicContact CD1-CG 3.53Å; I508-R521 VanDerWaalsContact CD1-NE 3.31Å; I508-R521 HydrophobicContact CG1-CG 4.5Å; R521-L523 PolarHBondContact O-N 2.84Å; R521-E524 HydrophobicContact CB-CG 4.22Å; R521-E524 IonicContact CZ-OE1 3.44Å; R521-E524 VanDerWaalsContact CZ-OE1 3.25Å; R521-E524 IonicContact NE-OE1 2.71Å; R521-E524 PolarHBondContact NE-OE1 2.95Å; R521-E524 IonicContact NH2-OE1 3.43Å; R521-E524 PolarHBondContact NH2-OE1 2.91Å; R521-E524 WeakPolarHBondContact O-CB 3.36Å; R521-E524 PolarHBondContact O-N 3.24Å; R521-M525 VanDerWaalsContact C-CE 3.47Å; R521-M525 WeakPolarHBondContact O-CE 3.3Å; R521-A547 CarbonylContact C-O 3.57Å; R521-A547 WeakPolarHBondContact CA-O 3.17Å
522L85.7Confident85.3Confident0 Ų061.2 Ų61.20%029%0.285CS..Hα-helixtrans-55.1-38.4174.5-166.266.6000112.3E524 M525 C526 L541 Y544 A547 V549 V611 A614 A618L522-E524 PolarHBondContact O-N 3.24Å; L522-M525 PolarHBondContact O-N 3.47Å; L522-M525 VanDerWaalsContact O-N 3.15Å; L522-C526 PolarHBondContact O-N 3.35Å; L522-C526 PolarHBondContact O-SG 2.91Å; L522-L541 HydrophobicContact CD2-CD2 3.99Å; L522-Y544 WeakPolarHBondContact CB-O 3.21Å; L522-Y544 WeakPolarHBondContact CD2-O 3.39Å; L522-A547 PolarHBondContact N-O 3.28Å; L522-V549 HydrophobicContact CD1-CG2 4.27Å; L522-V611 HydrophobicContact CD1-CG1 3.49Å; L522-V611 VanDerWaalsContact CD1-CG1 3.49Å; L522-A614 HydrophobicContact CD1-CB 4.33Å; L522-A618 HydrophobicContact CD2-CB 4.15Å
523L84.9Confident85.6Confident15 Ų1558.4 Ų58.48%0.07927%0.273CS..Hα-helixtrans-55.5-32173.4-177.770.3000114R521 M545 R671 W672R521-L523 PolarHBondContact O-N 2.84Å; L523-M545 HydrophobicContact CB-CG 4.2Å; L523-M545 WeakPolarHBondContact CB-O 3.45Å; L523-M545 HydrophobicContact CD1-CG 3.94Å; L523-M545 HydrophobicContact CD1-SD 4.25Å; L523-M545 PolarHBondContact N-O 3.21Å; L523-M545 VanDerWaalsContact N-O 3.08Å; L523-R671 HydrophobicContact CD2-CB 4.37Å; L523-W672 HydrophobicContact CD1-CD2 3.82Å; L523-W672 HydrophobicContact CD1-CE3 3.56Å; L523-W672 HydrophobicContact CD1-CH2 3.82Å; L523-W672 HydrophobicContact CD1-CZ2 4.05Å; L523-W672 HydrophobicContact CD1-CZ3 3.55Å
524E79.9Confident85.7Confident56 Ų5649.7 Ų49.726%0.26224%0.241SC..Hα-helixtrans-79.2-22.4-178.8-67.8169.8-167.300112.7K512 R521 L522K512-E524 IonicContact NZ-OE2 2.68Å; K512-E524 PolarHBondContact NZ-OE2 2.88Å; R521-E524 HydrophobicContact CB-CG 4.22Å; R521-E524 IonicContact CZ-OE1 3.44Å; R521-E524 VanDerWaalsContact CZ-OE1 3.25Å; R521-E524 IonicContact NE-OE1 2.71Å; R521-E524 PolarHBondContact NE-OE1 2.95Å; R521-E524 IonicContact NH2-OE1 3.43Å; R521-E524 PolarHBondContact NH2-OE1 2.91Å; R521-E524 WeakPolarHBondContact O-CB 3.36Å; R521-E524 PolarHBondContact O-N 3.24Å; L522-E524 PolarHBondContact O-N 3.24Å
525M82.3Confident85.7Confident16 Ų1646.9 Ų46.98%0.07923%0.228CC..Hα-helixtrans-109.5-0.8-169.9-67177.4-81.800113.8H519 G520 R521 L522 V549 D607 V611H519-M525 HydrophobicContact CB-CE 4.2Å; H519-M525 HydrophobicContact CB-SD 3.77Å; G520-M525 WeakPolarHBondContact O-CE 3.26Å; R521-M525 VanDerWaalsContact C-CE 3.47Å; R521-M525 WeakPolarHBondContact O-CE 3.3Å; L522-M525 PolarHBondContact O-N 3.47Å; L522-M525 VanDerWaalsContact O-N 3.15Å; M525-V549 HydrophobicContact CE-CB 3.74Å; M525-V549 HydrophobicContact CE-CG2 3.55Å; M525-D607 PolarHBondContact O-N 2.78Å; M525-V611 HydrophobicContact CB-CG1 4.13Å; M525-V611 HydrophobicContact CB-CG2 4.01Å; M525-V611 HydrophobicContact CE-CG2 4.44Å; M525-V611 HydrophobicContact CG-CG2 4.25Å; M525-V611 HydrophobicContact SD-CG2 3.44Å; M525-V611 WeakPolarHBondContact SD-CG2 3.34Å
526C85.1Confident85.7Confident8 Ų845.3 Ų45.35%0.05422%0.221CC..EExtended strand (participates in β ladder)trans-135.9163.1174.969.60000111.9L522 I604 Q605 W672L522-C526 PolarHBondContact O-N 3.35Å; L522-C526 PolarHBondContact O-SG 2.91Å; C526-I604 HydrophobicContact CB-CG2 3.65Å; C526-Q605 CarbonylContact C-O 3.51Å; C526-Q605 WeakPolarHBondContact CA-O 3.49Å; C526-Q605 WeakPolarHBondContact CB-O 3.41Å; C526-W672 VanDerWaalsContact O-CZ3 3.3Å; C526-W672 WeakPolarHBondContact O-CZ3 3.44Å
527Q85Confident86Confident102 Ų10239.6 Ų39.648%0.47718%0.184SC..EExtended strand (participates in β ladder)trans-150.3139.7177.3-171.9171.9-13.700110.1S529 Q605Q527-S529 PolarHBondContact O-N 3.28Å; Q527-Q605 PolarHBondContact N-O 2.91Å; Q527-Q605 PolarHBondContact O-N 3.08Å
528P86.4Confident86.2Confident8 Ų839.3 Ų39.35%0.05218%0.18CC..EExtended strand (participates in β ladder)trans-56.2132.1168.1-28.938.5000111.3H530 Q534 I537 W672P528-H530 PolarHBondContact O-N 2.92Å; P528-H530 VanDerWaalsContact O-N 3.16Å; P528-Q534 HydrophobicContact CB-CG 4.25Å; P528-Q534 HydrophobicContact CG-CG 3.95Å; P528-I537 HydrophobicContact CB-CD1 3.57Å; P528-I537 HydrophobicContact CG-CD1 3.78Å; P528-W672 VanDerWaalsContact CD-CE3 3.47Å; P528-W672 HydrophobicContact CG-CD2 3.95Å; P528-W672 HydrophobicContact CG-CE3 4.25Å; P528-W672 HydrophobicContact CG-CG 4.36Å; P528-W672 HydrophobicContact CG-CZ2 4.27Å
529S86.7Confident86.1Confident50 Ų5040.5 Ų40.535%0.3518%0.184SC..SBendtrans-61.4-24.2176.8620000112.9Q527 V603Q527-S529 PolarHBondContact O-N 3.28Å; S529-V603 PolarHBondContact N-O 3.39Å; S529-V603 PolarHBondContact OG-O 2.99Å
530H86.2Confident86.3Confident109 Ų10937.9 Ų37.951%0.50517%0.173SC..SBendtrans-148.5147176.6-166.6-88.2000111.1P528 R532 Y533P528-H530 PolarHBondContact O-N 2.92Å; P528-H530 VanDerWaalsContact O-N 3.16Å; H530-R532 HydrophobicContact CB-CG 4.24Å; H530-R532 WeakPolarHBondContact ND1-CB 3.44Å; H530-R532 VanDerWaalsContact ND1-CG 3.33Å; H530-R532 WeakPolarHBondContact ND1-CG 3.35Å; H530-R532 PolarHBondContact ND1-N 3.21Å; H530-R532 VanDerWaalsContact ND1-N 3.17Å; H530-R532 PolarHBondContact O-N 2.84Å; H530-R532 VanDerWaalsContact O-N 3.11Å; H530-Y533 HydrophobicContact CB-CD2 3.73Å; H530-Y533 HydrophobicContact CB-CE2 3.86Å; H530-Y533 PolarHBondContact O-N 3.32Å
531R83.7Confident86.4Confident177 Ų17737.9 Ų37.967%0.66817%0.173SC*.G310 helixtrans-54.7-33.9-179.3-164.8177.7-178.6160.34.2112.9Y533 Q534R531-Y533 PolarHBondContact O-N 3.09Å; R531-Y533 VanDerWaalsContact O-N 3.14Å; R531-Q534 WeakPolarHBondContact O-CB 3.17Å; R531-Q534 WeakPolarHBondContact O-CG 3.41Å; R531-Q534 PolarHBondContact O-N 3.08Å; R531-Q534 VanDerWaalsContact O-N 3.1Å
532R87.2Confident86.3Confident116 Ų11638.4 Ų38.444%0.43818%0.183SC..G310 helixtrans-56.5-27.7177.682.7-172.9-165167.86.4114.1H530H530-R532 HydrophobicContact CB-CG 4.24Å; H530-R532 WeakPolarHBondContact ND1-CB 3.44Å; H530-R532 VanDerWaalsContact ND1-CG 3.33Å; H530-R532 WeakPolarHBondContact ND1-CG 3.35Å; H530-R532 PolarHBondContact ND1-N 3.21Å; H530-R532 VanDerWaalsContact ND1-N 3.17Å; H530-R532 PolarHBondContact O-N 2.84Å; H530-R532 VanDerWaalsContact O-N 3.11Å
533Y88.6Confident86.2Confident19 Ų1945.6 Ų45.68%0.07521%0.214CC..G310 helixtrans-92.2-6.4-177.9-56.5-60.5000113.6H530 R531 V535 A536 I537 V603 V624 L647H530-Y533 HydrophobicContact CB-CD2 3.73Å; H530-Y533 HydrophobicContact CB-CE2 3.86Å; H530-Y533 PolarHBondContact O-N 3.32Å; R531-Y533 PolarHBondContact O-N 3.09Å; R531-Y533 VanDerWaalsContact O-N 3.14Å; Y533-V535 VanDerWaalsContact C-N 3.3Å; Y533-V535 PolarHBondContact O-N 3.19Å; Y533-A536 PolarHBondContact O-N 3.17Å; Y533-I537 WeakPolarHBondContact O-CB 3.42Å; Y533-I537 WeakPolarHBondContact O-CG1 3.44Å; Y533-I537 PolarHBondContact O-N 3.35Å; Y533-V603 HydrophobicContact CD1-CG1 4.41Å; Y533-V603 HydrophobicContact CD2-CB 3.94Å; Y533-V603 HydrophobicContact CD2-CG1 4.13Å; Y533-V603 HydrophobicContact CE1-CG1 4.09Å; Y533-V603 HydrophobicContact CE2-CB 4.08Å; Y533-V603 HydrophobicContact CE2-CG1 3.78Å; Y533-V603 HydrophobicContact CG-CB 4.17Å; Y533-V603 HydrophobicContact CG-CG1 4.41Å; Y533-V603 HydrophobicContact CG-CG2 4.49Å; Y533-V624 HydrophobicContact CD1-CG2 4.32Å; Y533-L647 HydrophobicContact CD1-CD2 3.67Å; Y533-L647 HydrophobicContact CE1-CD2 4.02Å
534Q86.8Confident86.4Confident27 Ų2747.3 Ų47.313%0.12622%0.22CC..Hα-helixtrans-52.5-48-175.3-81.1177.8-24.700111.9P528 R531 T538 A669 W672P528-Q534 HydrophobicContact CB-CG 4.25Å; P528-Q534 HydrophobicContact CG-CG 3.95Å; R531-Q534 WeakPolarHBondContact O-CB 3.17Å; R531-Q534 WeakPolarHBondContact O-CG 3.41Å; R531-Q534 PolarHBondContact O-N 3.08Å; R531-Q534 VanDerWaalsContact O-N 3.1Å; Q534-T538 WeakPolarHBondContact O-CB 3.38Å; Q534-T538 PolarHBondContact O-N 3.41Å; Q534-T538 PolarHBondContact O-OG1 3.12Å; Q534-A669 HydrophobicContact CB-CB 4.28Å; Q534-W672 HydrophobicContact CG-CB 4.42Å; Q534-W672 HydrophobicContact CG-CG 4.27Å
535V86.2Confident86.7Confident27 Ų2744.8 Ų44.816%0.16421%0.209CC..Hα-helixtrans-64.4-48.3-178.4178.70000110.7Y533 T538 K539 L665 A669Y533-V535 VanDerWaalsContact C-N 3.3Å; Y533-V535 PolarHBondContact O-N 3.19Å; V535-T538 PolarHBondContact O-N 3.37Å; V535-K539 PolarHBondContact O-N 3.22Å; V535-L665 HydrophobicContact CG1-CD2 3.69Å; V535-L665 VanDerWaalsContact O-CD2 3.31Å; V535-L665 WeakPolarHBondContact O-CD2 3.17Å; V535-A669 HydrophobicContact CG2-CB 4.19Å
536A88.4Confident86.8Confident1 Ų146 Ų461%0.00822%0.215CC..Hα-helixtrans-61.5-47.7178.500000112.7Y533 K539 V540 V624 V645Y533-A536 PolarHBondContact O-N 3.17Å; A536-K539 WeakPolarHBondContact O-CB 3.46Å; A536-K539 PolarHBondContact O-N 3.16Å; A536-V540 WeakPolarHBondContact O-CG2 3.49Å; A536-V540 PolarHBondContact O-N 3.08Å; A536-V540 VanDerWaalsContact O-N 3.08Å; A536-V624 HydrophobicContact CB-CG2 3.84Å; A536-V645 HydrophobicContact CB-CG1 4.02Å; A536-V645 HydrophobicContact CB-CG2 4.31Å
537I89.8Confident86.9Confident1 Ų145.7 Ų45.71%0.00521%0.213CC..Hα-helixtrans-64.3-43.1178.8-68.9161.5000110.5P528 Y533 K539 V540 L541 V600 V603 I604 W672P528-I537 HydrophobicContact CB-CD1 3.57Å; P528-I537 HydrophobicContact CG-CD1 3.78Å; Y533-I537 WeakPolarHBondContact O-CB 3.42Å; Y533-I537 WeakPolarHBondContact O-CG1 3.44Å; Y533-I537 PolarHBondContact O-N 3.35Å; I537-K539 VanDerWaalsContact C-N 3.28Å; I537-K539 PolarHBondContact O-N 2.98Å; I537-V540 PolarHBondContact O-N 3.14Å; I537-V540 VanDerWaalsContact O-N 3.1Å; I537-L541 HydrophobicContact CG2-CD1 3.79Å; I537-L541 HydrophobicContact CG2-CG 4.11Å; I537-L541 WeakPolarHBondContact O-CG 3.15Å; I537-L541 PolarHBondContact O-N 2.95Å; I537-V600 HydrophobicContact CG1-CG1 4.36Å; I537-V603 HydrophobicContact CD1-CG2 4.08Å; I537-V603 HydrophobicContact CG1-CG2 4.21Å; I537-I604 HydrophobicContact CD1-CG1 3.77Å; I537-I604 HydrophobicContact CG1-CD1 4.24Å; I537-I604 HydrophobicContact CG1-CG1 3.96Å; I537-I604 HydrophobicContact CG2-CD1 3.78Å; I537-I604 HydrophobicContact CG2-CG1 4.02Å; I537-W672 HydrophobicContact CG2-CH2 4.49Å; I537-W672 HydrophobicContact CG2-CZ2 3.94Å
538T88Confident87.1Confident3 Ų340.9 Ų40.92%0.01819%0.191CC..Hα-helixtrans-59.1-40.6176.3-57.40000111.2Q534 V535 G542 M545 L665 R668 W672Q534-T538 WeakPolarHBondContact O-CB 3.38Å; Q534-T538 PolarHBondContact O-N 3.41Å; Q534-T538 PolarHBondContact O-OG1 3.12Å; V535-T538 PolarHBondContact O-N 3.37Å; T538-G542 PolarHBondContact O-N 3.35Å; T538-M545 HydrophobicContact CG2-SD 4.07Å; T538-L665 HydrophobicContact CG2-CG 4.47Å; T538-R668 HydrophobicContact CG2-CB 3.69Å; T538-W672 PolarHBondContact OG1-NE1 2.88Å
539K87.9Confident87.3Confident35 Ų3540.5 Ų40.515%0.15219%0.188CC..Hα-helixtrans-61.8-44.6174.6-164.961.5168.3-1730112.2V535 A536 I537 V645 G649 L651 S659 G660 L665V535-K539 PolarHBondContact O-N 3.22Å; A536-K539 WeakPolarHBondContact O-CB 3.46Å; A536-K539 PolarHBondContact O-N 3.16Å; I537-K539 VanDerWaalsContact C-N 3.28Å; I537-K539 PolarHBondContact O-N 2.98Å; K539-V645 HydrophobicContact CB-CG2 4.07Å; K539-V645 HydrophobicContact CG-CG2 4.23Å; K539-G649 WeakPolarHBondContact CD-O 3.5Å; K539-G649 VanDerWaalsContact CE-O 3.25Å; K539-G649 WeakPolarHBondContact CE-O 3.46Å; K539-G649 WeakPolarHBondContact CG-O 3.34Å; K539-L651 HydrophobicContact CD-CB 4.47Å; K539-L651 HydrophobicContact CG-CB 3.64Å; K539-L651 HydrophobicContact CG-CD2 4.27Å; K539-L651 HydrophobicContact CG-CG 4.49Å; K539-S659 WeakPolarHBondContact CE-O 3.31Å; K539-S659 VanDerWaalsContact CE-OG 3.26Å; K539-S659 WeakPolarHBondContact CE-OG 3.43Å; K539-G660 PolarHBondContact NZ-O 3.14Å; K539-L665 HydrophobicContact CB-CD1 4.43Å; K539-L665 HydrophobicContact CB-CD2 3.71Å; K539-L665 HydrophobicContact CD-CD1 3.5Å; K539-L665 VanDerWaalsContact CD-CD1 3.5Å; K539-L665 HydrophobicContact CD-CD2 3.82Å; K539-L665 HydrophobicContact CD-CG 4.33Å; K539-L665 HydrophobicContact CG-CD2 4.24Å
540V89.5Confident87.5Confident9 Ų938.1 Ų38.16%0.05517%0.172CC..Hα-helixtrans-73.1-43.7-172.8172.60000111.6A536 I537 V600 A622 V645 L651A536-V540 WeakPolarHBondContact O-CG2 3.49Å; A536-V540 PolarHBondContact O-N 3.08Å; A536-V540 VanDerWaalsContact O-N 3.08Å; I537-V540 PolarHBondContact O-N 3.14Å; I537-V540 VanDerWaalsContact O-N 3.1Å; V540-V600 HydrophobicContact CB-CG1 4.19Å; V540-V600 HydrophobicContact CG1-CB 4.45Å; V540-V600 HydrophobicContact CG1-CG1 3.92Å; V540-V600 HydrophobicContact CG1-CG2 4.45Å; V540-V600 HydrophobicContact CG2-CG1 4.38Å; V540-V600 HydrophobicContact CG2-CG2 4.04Å; V540-A622 HydrophobicContact CG1-CB 3.87Å; V540-A622 HydrophobicContact CG2-CB 4.43Å; V540-V645 HydrophobicContact CG2-CB 3.96Å; V540-V645 HydrophobicContact CG2-CG1 3.61Å; V540-V645 HydrophobicContact CG2-CG2 4.26Å; V540-L651 HydrophobicContact CG2-CD1 4.31Å
541L88.5Confident87.6Confident1 Ų136.2 Ų36.21%0.00517%0.165CC..Hα-helixtrans-67.7-40.6176.3-66.5-179000111L522 I537 K543 Y544 M545 L615 A618 W672L522-L541 HydrophobicContact CD2-CD2 3.99Å; I537-L541 HydrophobicContact CG2-CD1 3.79Å; I537-L541 HydrophobicContact CG2-CG 4.11Å; I537-L541 WeakPolarHBondContact O-CG 3.15Å; I537-L541 PolarHBondContact O-N 2.95Å; L541-K543 PolarHBondContact O-N 2.74Å; L541-K543 VanDerWaalsContact O-N 3.13Å; L541-Y544 WeakPolarHBondContact O-CB 3.33Å; L541-Y544 PolarHBondContact O-N 3.33Å; L541-M545 HydrophobicContact CB-CB 4.32Å; L541-L615 HydrophobicContact CD2-CD1 4.18Å; L541-A618 HydrophobicContact CD2-CB 3.82Å; L541-W672 HydrophobicContact CD1-CH2 4.11Å; L541-W672 HydrophobicContact CD1-CZ2 4.09Å
542G85.2Confident87.9Confident27 Ų2728.9 Ų28.928%0.27814%0.141SC..G310 helixtrans51.4-119.3176.100000112T538 Y544 M545T538-G542 PolarHBondContact O-N 3.35Å; G542-Y544 PolarHBondContact O-N 3.07Å; G542-M545 WeakPolarHBondContact O-CB 3.22Å; G542-M545 PolarHBondContact O-N 2.82Å
543K84.2Confident88.1Confident150 Ų15026.7 Ų26.765%0.65214%0.136SC*.G310 helixtrans-64.7-23.4178.266.1177.3-177.1174.40114.3L541 M545L541-K543 PolarHBondContact O-N 2.74Å; L541-K543 VanDerWaalsContact O-N 3.13Å; K543-M545 PolarHBondContact O-N 3.37Å
544Y88.6Confident88.2Confident52 Ų5232.5 Ų32.520%0.20416%0.161CC..G310 helixtrans-77-10.8-179.3-61.2-62000113.1L522 L541 G542 D546 A547 L574 F617 A618L522-Y544 WeakPolarHBondContact CB-O 3.21Å; L522-Y544 WeakPolarHBondContact CD2-O 3.39Å; L541-Y544 WeakPolarHBondContact O-CB 3.33Å; L541-Y544 PolarHBondContact O-N 3.33Å; G542-Y544 PolarHBondContact O-N 3.07Å; Y544-D546 VanDerWaalsContact C-N 3.26Å; Y544-D546 PolarHBondContact O-N 3.38Å; Y544-A547 HydrophobicContact CD1-CB 4.42Å; Y544-A547 WeakPolarHBondContact O-CB 3.37Å; Y544-A547 PolarHBondContact O-N 2.94Å; Y544-A547 VanDerWaalsContact O-N 3.14Å; Y544-L574 HydrophobicContact CD1-CD1 4.46Å; Y544-L574 HydrophobicContact CD1-CD2 4.24Å; Y544-L574 HydrophobicContact CE1-CD2 4.28Å; Y544-F617 HydrophobicContact CD1-CE1 4.42Å; Y544-F617 HydrophobicContact CE1-CD1 4.4Å; Y544-F617 AromaticContact CE1-CE1 3.66Å; Y544-F617 HydrophobicContact CE1-CE1 3.66Å; Y544-F617 HydrophobicContact CE2-CE1 4.43Å; Y544-F617 AromaticContact CZ-CE1 3.64Å; Y544-A618 HydrophobicContact CD2-CB 3.96Å; Y544-A618 HydrophobicContact CG-CB 4.05Å
545M86Confident88.4Confident3 Ų331.9 Ų31.92%0.01516%0.159CC..G310 helixtrans-58.6-39.7177.1-166.4176.578.900111.9L523 T538 L541 G542 K543L523-M545 HydrophobicContact CB-CG 4.2Å; L523-M545 WeakPolarHBondContact CB-O 3.45Å; L523-M545 HydrophobicContact CD1-CG 3.94Å; L523-M545 HydrophobicContact CD1-SD 4.25Å; L523-M545 PolarHBondContact N-O 3.21Å; L523-M545 VanDerWaalsContact N-O 3.08Å; T538-M545 HydrophobicContact CG2-SD 4.07Å; L541-M545 HydrophobicContact CB-CB 4.32Å; G542-M545 WeakPolarHBondContact O-CB 3.22Å; G542-M545 PolarHBondContact O-N 2.82Å; K543-M545 PolarHBondContact O-N 3.37Å
546D83.9Confident88.6Confident42 Ų4231 Ų3123%0.22516%0.155CC..G310 helixtrans-94.84.9178.1-71.4-47.9000113.7Y544 I548 R671Y544-D546 VanDerWaalsContact C-N 3.26Å; Y544-D546 PolarHBondContact O-N 3.38Å; D546-I548 PolarHBondContact O-N 3.02Å; D546-R671 VanDerWaalsContact CG-NH1 3.32Å; D546-R671 IonicContact OD1-CZ 3.07Å; D546-R671 VanDerWaalsContact OD1-CZ 3.31Å; D546-R671 IonicContact OD1-NH1 3.63Å; D546-R671 PolarHBondContact OD1-NH1 2.94Å; D546-R671 VanDerWaalsContact OD1-NH1 3.08Å; D546-R671 IonicContact OD1-NH2 4Å; D546-R671 PolarHBondContact OD1-NH2 3.45Å; D546-R671 IonicContact OD2-CZ 3.78Å; D546-R671 IonicContact OD2-NH1 3.19Å; D546-R671 PolarHBondContact OD2-NH1 3.22Å; D546-R671 IonicContact OD2-NH2 2.67Å
547A88.6Confident88.7Confident0 Ų036.5 Ų36.50%018%0.178CC..  trans-70135-177.500000111.6R521 L522 Y544 T572 L574R521-A547 CarbonylContact C-O 3.57Å; R521-A547 WeakPolarHBondContact CA-O 3.17Å; L522-A547 PolarHBondContact N-O 3.28Å; Y544-A547 HydrophobicContact CD1-CB 4.42Å; Y544-A547 WeakPolarHBondContact O-CB 3.37Å; Y544-A547 PolarHBondContact O-N 2.94Å; Y544-A547 VanDerWaalsContact O-N 3.14Å; A547-T572 CarbonylContact C-O 3.49Å; A547-T572 WeakPolarHBondContact CA-O 3.35Å; A547-T572 HydrophobicContact CB-CG2 4.05Å; A547-L574 HydrophobicContact CB-CD1 3.72Å; A547-L574 HydrophobicContact CB-CG 3.88Å
548I89.8Confident88.8Confident2 Ų240.2 Ų40.21%0.0120%0.196CC..EExtended strand (participates in β ladder)trans-84.6115.2-179.5-58.3172.7000108.6L511 V518 G520 D546 E571 T572 F573 L574L511-I548 HydrophobicContact CD1-CD1 4.06Å; V518-I548 HydrophobicContact CG1-CG2 3.63Å; G520-I548 CarbonylContact O-C 3.44Å; G520-I548 WeakPolarHBondContact O-CA 3.39Å; D546-I548 PolarHBondContact O-N 3.02Å; I548-E571 HydrophobicContact CD1-CB 3.96Å; I548-E571 HydrophobicContact CD1-CG 4.33Å; I548-T572 PolarHBondContact N-O 3.23Å; I548-F573 HydrophobicContact CB-CD1 3.87Å; I548-F573 HydrophobicContact CB-CE1 3.95Å; I548-F573 HydrophobicContact CB-CG 4.46Å; I548-F573 HydrophobicContact CD1-CE1 3.91Å; I548-F573 HydrophobicContact CD1-CE2 4.38Å; I548-F573 HydrophobicContact CD1-CZ 3.79Å; I548-F573 HydrophobicContact CG2-CD1 3.88Å; I548-F573 HydrophobicContact CG2-CE1 3.75Å; I548-F573 CarbonylContact O-C 3.54Å; I548-F573 VanDerWaalsContact O-CA 3.31Å; I548-F573 WeakPolarHBondContact O-CA 3.46Å; I548-L574 PolarHBondContact O-N 2.86Å
549V89.6Confident88.9Confident0 Ų040.1 Ų40.10%020%0.195CC..EExtended strand (participates in β ladder)trans-82.5129.2175.7-171.10000108.7H519 G520 L522 M525 L576 V611 A614H519-V549 HydrophobicContact CB-CB 4.41Å; H519-V549 PolarHBondContact N-O 2.83Å; G520-V549 PolarHBondContact O-N 3.46Å; L522-V549 HydrophobicContact CD1-CG2 4.27Å; M525-V549 HydrophobicContact CE-CB 3.74Å; M525-V549 HydrophobicContact CE-CG2 3.55Å; V549-L576 HydrophobicContact CG1-CD1 3.87Å; V549-L576 HydrophobicContact CG1-CD2 3.77Å; V549-L576 HydrophobicContact CG1-CG 3.75Å; V549-V611 HydrophobicContact CG2-CG1 4.46Å; V549-A614 HydrophobicContact CG1-CB 4.4Å; V549-A614 HydrophobicContact CG2-CB 4.28Å
550C90.3Very high88.9Confident0 Ų041.4 Ų41.40%020%0.203CC..EExtended strand (participates in β ladder)trans-135.2160.9176.354.80000110.6G517 T555 L574 P575 L576G517-C550 CarbonylContact O-C 3.43Å; G517-C550 WeakPolarHBondContact O-CA 3.46Å; G517-C550 WeakPolarHBondContact O-CB 3.4Å; C550-T555 HydrophobicContact CB-CG2 4.35Å; C550-L574 PolarHBondContact N-O 2.9Å; C550-L574 VanDerWaalsContact N-O 3.11Å; C550-P575 WeakPolarHBondContact O-CA 3.35Å; C550-L576 VanDerWaalsContact O-CG 3.32Å; C550-L576 WeakPolarHBondContact O-CG 3.39Å; C550-L576 PolarHBondContact O-N 3.22Å
551D89.4Confident88.9Confident68 Ų6845.3 Ų45.336%0.36422%0.221SC..SBendtrans-64.1-47.5-179.858.3-10000113.1G517 T555 L576 D577G517-D551 WeakPolarHBondContact CA-OD1 3.43Å; G517-D551 WeakPolarHBondContact CA-OD2 3.25Å; G517-D551 PolarHBondContact O-N 3.32Å; D551-T555 WeakPolarHBondContact OD1-CB 3.42Å; D551-T555 PolarHBondContact OD1-OG1 3.27Å; D551-L576 PolarHBondContact O-N 3.06Å; D551-D577 PolarHBondContact O-N 3.3Å; D551-D577 VanDerWaalsContact O-N 3.07Å
552S89.6Confident88.9Confident24 Ų2447.9 Ų47.917%0.16823%0.231CC..  trans-134.9154.8-168.576.50000115.8K554 T555 A556 D577S552-K554 PolarHBondContact O-N 3.22Å; S552-K554 PolarHBondContact OG-N 3.48Å; S552-T555 PolarHBondContact O-N 3.45Å; S552-T555 PolarHBondContact OG-N 3.32Å; S552-T555 VanDerWaalsContact OG-N 3.1Å; S552-T555 PolarHBondContact OG-OG1 2.88Å; S552-A556 PolarHBondContact O-N 2.89Å; S552-A556 VanDerWaalsContact O-N 3.1Å; S552-D577 VanDerWaalsContact CA-OD1 3.25Å; S552-D577 WeakPolarHBondContact CA-OD1 3.16Å; S552-D577 VanDerWaalsContact CA-OD2 3.29Å; S552-D577 WeakPolarHBondContact CA-OD2 3.44Å; S552-D577 VanDerWaalsContact CB-OD2 3.27Å; S552-D577 WeakPolarHBondContact CB-OD2 3.34Å
553E91.4Very high89Confident70 Ų7047 Ų4733%0.32722%0.219SC..Hα-helixtrans-56.8-33.1169.8-165.6-154.4174.600111.6A556 K557 P575 D577 F578E553-A556 WeakPolarHBondContact O-CB 3.23Å; E553-A556 PolarHBondContact O-N 2.85Å; E553-K557 WeakPolarHBondContact O-CG 3.1Å; E553-K557 PolarHBondContact O-N 3.22Å; E553-K557 WeakPolarHBondContact OE1-CE 3.38Å; E553-K557 IonicContact OE1-NZ 3.47Å; E553-K557 PolarHBondContact OE1-NZ 3.23Å; E553-K557 IonicContact OE2-NZ 3.79Å; E553-K557 PolarHBondContact OE2-NZ 3.47Å; E553-P575 HydrophobicContact CB-CB 4.49Å; E553-D577 PolarHBondContact N-OD1 3.35Å; E553-D577 PolarHBondContact N-OD2 3.44Å; E553-F578 HydrophobicContact CB-CB 4.33Å
554K91Very high89.1Confident141 Ų14146.5 Ų46.561%0.61322%0.217SC*.Hα-helixtrans-64.9-50.4177.9-173.9-173.6176.1-166.20111.3S552 A556 K557 E558S552-K554 PolarHBondContact O-N 3.22Å; S552-K554 PolarHBondContact OG-N 3.48Å; K554-A556 VanDerWaalsContact C-N 3.26Å; K554-A556 PolarHBondContact O-N 2.97Å; K554-K557 PolarHBondContact O-N 3.47Å; K554-K557 VanDerWaalsContact O-N 3.1Å; K554-E558 WeakPolarHBondContact CE-OE1 3.38Å; K554-E558 IonicContact NZ-OE1 2.94Å; K554-E558 WeakPolarHBondContact O-CG 3.49Å; K554-E558 PolarHBondContact O-N 3.38Å
555T90.9Very high88.9Confident14 Ų1449.2 Ų49.29%0.08624%0.235CC..Hα-helixtrans-58.3-41.2176-51.80000110.6F515 V518 C550 D551 S552 K557 E558 C559F515-T555 HydrophobicContact CB-CG2 4.15Å; V518-T555 HydrophobicContact CG2-CG2 4.04Å; C550-T555 HydrophobicContact CB-CG2 4.35Å; D551-T555 WeakPolarHBondContact OD1-CB 3.42Å; D551-T555 PolarHBondContact OD1-OG1 3.27Å; S552-T555 PolarHBondContact O-N 3.45Å; S552-T555 PolarHBondContact OG-N 3.32Å; S552-T555 VanDerWaalsContact OG-N 3.1Å; S552-T555 PolarHBondContact OG-OG1 2.88Å; T555-K557 PolarHBondContact O-N 3.25Å; T555-E558 PolarHBondContact O-N 3.43Å; T555-C559 WeakPolarHBondContact O-CB 3.3Å; T555-C559 PolarHBondContact O-N 3.43Å; T555-C559 PolarHBondContact O-SG 3.05Å
556A90.4Very high88.7Confident8 Ų854.3 Ų54.37%0.06626%0.259CS..Hα-helixtrans-59.3-45.217500000112.3S552 E553 K554 C559 I560 F573S552-A556 PolarHBondContact O-N 2.89Å; S552-A556 VanDerWaalsContact O-N 3.1Å; E553-A556 WeakPolarHBondContact O-CB 3.23Å; E553-A556 PolarHBondContact O-N 2.85Å; K554-A556 VanDerWaalsContact C-N 3.26Å; K554-A556 PolarHBondContact O-N 2.97Å; A556-C559 PolarHBondContact O-N 3.5Å; A556-I560 WeakPolarHBondContact O-CB 3.44Å; A556-I560 WeakPolarHBondContact O-CD1 3.42Å; A556-I560 WeakPolarHBondContact O-CG1 3.41Å; A556-I560 PolarHBondContact O-N 3.47Å; A556-F573 HydrophobicContact CB-CB 3.9Å; A556-F573 HydrophobicContact CB-CD1 4.28Å; A556-F573 HydrophobicContact CB-CG 4.16Å
557K90.8Very high88.5Confident116 Ų11663 Ų6350%0.50429%0.289SS..Hα-helixtrans-63.1-42.6177.9-75.2172.4-177.9162.20112.6E553 K554 T555 I560 Q561E553-K557 WeakPolarHBondContact O-CG 3.1Å; E553-K557 PolarHBondContact O-N 3.22Å; E553-K557 WeakPolarHBondContact OE1-CE 3.38Å; E553-K557 IonicContact OE1-NZ 3.47Å; E553-K557 PolarHBondContact OE1-NZ 3.23Å; E553-K557 IonicContact OE2-NZ 3.79Å; E553-K557 PolarHBondContact OE2-NZ 3.47Å; K554-K557 PolarHBondContact O-N 3.47Å; K554-K557 VanDerWaalsContact O-N 3.1Å; T555-K557 PolarHBondContact O-N 3.25Å; K557-I560 PolarHBondContact O-N 3.26Å; K557-Q561 WeakPolarHBondContact O-CB 3.33Å; K557-Q561 PolarHBondContact O-N 3.5Å
558E90.5Very high87.9Confident80 Ų8065.9 Ų65.937%0.37430%0.304SS..Hα-helixtrans-64.8-45.1178-69.5175.7-177.700111.6F515 K554 T555 I560 Q561 Y562F515-E558 HydrophobicContact CD1-CB 4.09Å; F515-E558 HydrophobicContact CE1-CB 3.63Å; F515-E558 HydrophobicContact CZ-CB 4.24Å; K554-E558 WeakPolarHBondContact CE-OE1 3.38Å; K554-E558 IonicContact NZ-OE1 2.94Å; K554-E558 WeakPolarHBondContact O-CG 3.49Å; K554-E558 PolarHBondContact O-N 3.38Å; T555-E558 PolarHBondContact O-N 3.43Å; E558-I560 PolarHBondContact O-N 3.09Å; E558-Q561 PolarHBondContact O-N 3.46Å; E558-Y562 PolarHBondContact O-N 3.13Å
559C90.2Very high87.3Confident0 Ų069.6 Ų69.60%032%0.321CS..Hα-helixtrans-59.1-45.5173-69.80000112L511 F515 V518 T555 A556 Q561 Y562 M563 F573L511-C559 HydrophobicContact CD2-CB 3.89Å; F515-C559 WeakPolarHBondContact CD2-SG 3.31Å; F515-C559 VanDerWaalsContact CG-SG 3.6Å; V518-C559 WeakPolarHBondContact CG2-SG 3.41Å; T555-C559 WeakPolarHBondContact O-CB 3.3Å; T555-C559 PolarHBondContact O-N 3.43Å; T555-C559 PolarHBondContact O-SG 3.05Å; A556-C559 PolarHBondContact O-N 3.5Å; C559-Q561 VanDerWaalsContact C-N 3.31Å; C559-Q561 PolarHBondContact O-N 3.4Å; C559-Y562 PolarHBondContact O-N 3.23Å; C559-M563 WeakPolarHBondContact O-CB 3.33Å; C559-M563 VanDerWaalsContact O-CG 3.24Å; C559-M563 WeakPolarHBondContact O-CG 3.49Å; C559-M563 PolarHBondContact O-N 3.09Å; C559-F573 HydrophobicContact CB-CE1 3.56Å; C559-F573 HydrophobicContact CB-CZ 3.63Å
560I88.6Confident87Confident63 Ų6375.7 Ų75.732%0.32336%0.36SS..Hα-helixtrans-62.3-39.4177.2-70.9164.1000111A556 K557 E558 M563 K564 F573A556-I560 WeakPolarHBondContact O-CB 3.44Å; A556-I560 WeakPolarHBondContact O-CD1 3.42Å; A556-I560 WeakPolarHBondContact O-CG1 3.41Å; A556-I560 PolarHBondContact O-N 3.47Å; K557-I560 PolarHBondContact O-N 3.26Å; E558-I560 PolarHBondContact O-N 3.09Å; I560-M563 PolarHBondContact O-N 3.31Å; I560-K564 HydrophobicContact CG2-CD 4.39Å; I560-K564 WeakPolarHBondContact O-CG 3.45Å; I560-K564 PolarHBondContact O-N 2.82Å; I560-F573 HydrophobicContact CD1-CD2 4.01Å; I560-F573 HydrophobicContact CD1-CE2 4.35Å; I560-F573 HydrophobicContact CG1-CD2 3.8Å; I560-F573 HydrophobicContact CG1-CE2 3.62Å; I560-F573 HydrophobicContact CG1-CZ 4.41Å
561Q88.9Confident86.9Confident91 Ų9177.4 Ų77.443%0.42537%0.369SS..Hα-helixtrans-65.6-45.9177.1-174.655.542.100111.2K557 E558 C559 M563 K564 D565K557-Q561 WeakPolarHBondContact O-CB 3.33Å; K557-Q561 PolarHBondContact O-N 3.5Å; E558-Q561 PolarHBondContact O-N 3.46Å; C559-Q561 VanDerWaalsContact C-N 3.31Å; C559-Q561 PolarHBondContact O-N 3.4Å; Q561-M563 VanDerWaalsContact C-N 3.31Å; Q561-M563 PolarHBondContact O-N 2.83Å; Q561-K564 WeakPolarHBondContact O-CB 3.41Å; Q561-K564 PolarHBondContact O-N 2.83Å; Q561-K564 VanDerWaalsContact O-N 3.16Å; Q561-D565 PolarHBondContact NE2-OD1 3.32Å; Q561-D565 PolarHBondContact NE2-OD2 3.15Å; Q561-D565 VanDerWaalsContact O-CG 3.28Å; Q561-D565 PolarHBondContact O-N 3.11Å
562Y88.6Confident86.9Confident55 Ų5577 Ų7722%0.21637%0.369CS..Hα-helixtrans-57.6-44.2173.5176.3-98.5000111.9L511 L514 F515 E558 C559 K564 D565 Q566L511-Y562 HydrophobicContact CD2-CD1 3.78Å; L511-Y562 HydrophobicContact CD2-CE1 4.37Å; L514-Y562 HydrophobicContact CD1-CD1 4.27Å; L514-Y562 HydrophobicContact CD1-CD2 3.94Å; L514-Y562 HydrophobicContact CD1-CE1 3.74Å; L514-Y562 HydrophobicContact CD1-CE2 3.36Å; L514-Y562 HydrophobicContact CD1-CG 4.36Å; L514-Y562 WeakPolarHBondContact CD1-OH 3.16Å; F515-Y562 HydrophobicContact CE2-CD1 4.41Å; F515-Y562 HydrophobicContact CE2-CG 4.05Å; F515-Y562 HydrophobicContact CZ-CG 4.46Å; E558-Y562 PolarHBondContact O-N 3.13Å; C559-Y562 PolarHBondContact O-N 3.23Å; Y562-K564 PolarHBondContact O-N 3.39Å; Y562-D565 PolarHBondContact O-N 2.95Å; Y562-Q566 HydrophobicContact CD1-CG 4.35Å; Y562-Q566 HydrophobicContact CD2-CG 4.33Å; Y562-Q566 HydrophobicContact CE1-CG 3.92Å; Y562-Q566 HydrophobicContact CE2-CG 3.89Å; Y562-Q566 WeakPolarHBondContact O-CB 3.39Å; Y562-Q566 WeakPolarHBondContact O-CG 3.06Å; Y562-Q566 PolarHBondContact O-N 3.05Å
563M87.5Confident86.9Confident7 Ų777.1 Ų77.13%0.03437%0.366CS..Hα-helixtrans-62.4-39.8176.2-73175.563.800112.6L507 L511 C559 I560 Q561 Q566 R567 I568 E569 E571 F573L507-M563 HydrophobicContact CD1-CG 3.82Å; L507-M563 HydrophobicContact CD1-SD 4.45Å; L507-M563 HydrophobicContact CD2-CE 3.98Å; L507-M563 HydrophobicContact CD2-SD 4.35Å; L511-M563 HydrophobicContact CD1-SD 4.2Å; C559-M563 WeakPolarHBondContact O-CB 3.33Å; C559-M563 VanDerWaalsContact O-CG 3.24Å; C559-M563 WeakPolarHBondContact O-CG 3.49Å; C559-M563 PolarHBondContact O-N 3.09Å; I560-M563 PolarHBondContact O-N 3.31Å; Q561-M563 VanDerWaalsContact C-N 3.31Å; Q561-M563 PolarHBondContact O-N 2.83Å; M563-Q566 CarbonylContact O-C 3.58Å; M563-Q566 PolarHBondContact O-N 2.96Å; M563-R567 PolarHBondContact O-N 3.01Å; M563-I568 HydrophobicContact CB-CB 4.19Å; M563-I568 HydrophobicContact CE-CB 4.46Å; M563-I568 HydrophobicContact CE-CG2 4.02Å; M563-I568 HydrophobicContact CG-CB 4.43Å; M563-I568 PolarHBondContact O-N 3.47Å; M563-E569 WeakPolarHBondContact CE-O 3.43Å; M563-E571 HydrophobicContact CE-CB 3.81Å; M563-E571 HydrophobicContact CE-CG 3.64Å; M563-E571 HydrophobicContact SD-CB 4.48Å; M563-F573 HydrophobicContact SD-CE2 3.84Å; M563-F573 HydrophobicContact SD-CZ 3.7Å
564K85.7Confident86.9Confident140 Ų14074 Ų7461%0.60935%0.352SS*.Hα-helixtrans-63.6-42.6174.4-76.1175-179.6177.70111.8I560 Q561 Y562 Q566 R567I560-K564 HydrophobicContact CG2-CD 4.39Å; I560-K564 WeakPolarHBondContact O-CG 3.45Å; I560-K564 PolarHBondContact O-N 2.82Å; Q561-K564 WeakPolarHBondContact O-CB 3.41Å; Q561-K564 PolarHBondContact O-N 2.83Å; Q561-K564 VanDerWaalsContact O-N 3.16Å; Y562-K564 PolarHBondContact O-N 3.39Å; K564-Q566 VanDerWaalsContact C-N 3.31Å; K564-Q566 PolarHBondContact O-N 2.89Å; K564-R567 PolarHBondContact O-N 3.14Å; K564-R567 VanDerWaalsContact O-N 3.14Å
565D84.9Confident86.9Confident109 Ų10968.3 Ų68.358%0.58333%0.329SS*.Hα-helixtrans-66.2-36.6179.9-66.8-25.3000111.4Q561 Y562 R567Q561-D565 PolarHBondContact NE2-OD1 3.32Å; Q561-D565 PolarHBondContact NE2-OD2 3.15Å; Q561-D565 VanDerWaalsContact O-CG 3.28Å; Q561-D565 PolarHBondContact O-N 3.11Å; Y562-D565 PolarHBondContact O-N 2.95Å; D565-R567 VanDerWaalsContact C-N 3.31Å; D565-R567 PolarHBondContact O-N 3.26Å
566Q82.1Confident86.8Confident110 Ų11068.4 Ų68.451%0.51433%0.329SS..THydrogen-bonded Turntrans-83.61.2174.7-62.6-60.1-35.300114.2Y562 M563 K564 I568Y562-Q566 HydrophobicContact CD1-CG 4.35Å; Y562-Q566 HydrophobicContact CD2-CG 4.33Å; Y562-Q566 HydrophobicContact CE1-CG 3.92Å; Y562-Q566 HydrophobicContact CE2-CG 3.89Å; Y562-Q566 WeakPolarHBondContact O-CB 3.39Å; Y562-Q566 WeakPolarHBondContact O-CG 3.06Å; Y562-Q566 PolarHBondContact O-N 3.05Å; M563-Q566 CarbonylContact O-C 3.58Å; M563-Q566 PolarHBondContact O-N 2.96Å; K564-Q566 VanDerWaalsContact C-N 3.31Å; K564-Q566 PolarHBondContact O-N 2.89Å; Q566-I568 VanDerWaalsContact C-N 3.31Å; Q566-I568 HydrophobicContact CB-CD1 3.46Å; Q566-I568 VanDerWaalsContact CB-CD1 3.46Å; Q566-I568 HydrophobicContact CB-CG1 3.61Å; Q566-I568 HydrophobicContact CG-CD1 4.27Å; Q566-I568 PolarHBondContact O-N 2.98Å
567R78.7Confident86.7Confident224 Ų22472.4 Ų72.485%0.84535%0.349SS*.THydrogen-bonded Turntrans54.941.5-177.3-55.7-176.8-179.3-164.71.9113.9M563 K564 D565M563-R567 PolarHBondContact O-N 3.01Å; K564-R567 PolarHBondContact O-N 3.14Å; K564-R567 VanDerWaalsContact O-N 3.14Å; D565-R567 VanDerWaalsContact C-N 3.31Å; D565-R567 PolarHBondContact O-N 3.26Å
568I77Confident86.5Confident61 Ų6173.7 Ų73.731%0.31336%0.355SS..PPolyproline II helixtrans-89.5150.3-178.1-57.1176.8000110.1L507 M563 Q566L507-I568 HydrophobicContact CD1-CD1 3.36Å; L507-I568 HydrophobicContact CD1-CG2 4.09Å; L507-I568 HydrophobicContact CD2-CG2 3.63Å; L507-I568 HydrophobicContact CG-CD1 4.41Å; L507-I568 HydrophobicContact CG-CG2 4.32Å; M563-I568 HydrophobicContact CB-CB 4.19Å; M563-I568 HydrophobicContact CE-CB 4.46Å; M563-I568 HydrophobicContact CE-CG2 4.02Å; M563-I568 HydrophobicContact CG-CB 4.43Å; M563-I568 PolarHBondContact O-N 3.47Å; Q566-I568 VanDerWaalsContact C-N 3.31Å; Q566-I568 HydrophobicContact CB-CD1 3.46Å; Q566-I568 VanDerWaalsContact CB-CD1 3.46Å; Q566-I568 HydrophobicContact CB-CG1 3.61Å; Q566-I568 HydrophobicContact CG-CD1 4.27Å; Q566-I568 PolarHBondContact O-N 2.98Å
569E76.8Confident86.3Confident80 Ų8070.7 Ų70.737%0.37434%0.342SS..PPolyproline II helixtrans-60.1147179.7-68.5-179.8176.200111.9R500 M563 E571R500-E569 IonicContact CZ-OE1 2.81Å; R500-E569 IonicContact CZ-OE2 3.48Å; R500-E569 IonicContact NE-OE1 3.19Å; R500-E569 PolarHBondContact NE-OE1 2.66Å; R500-E569 IonicContact NE-OE2 2.7Å; R500-E569 IonicContact NH2-OE1 3.59Å; R500-E569 PolarHBondContact NH2-OE1 2.74Å; R500-E569 IonicContact NH2-OE2 3.82Å; M563-E569 WeakPolarHBondContact CE-O 3.43Å; E569-E571 PolarHBondContact O-N 3.48Å
570P84.4Confident86.1Confident128 Ų12877.1 Ų77.183%0.83138%0.376SS*.PPolyproline II helixtrans-60.5130.5178.3-19.931000112.2
571E86.9Confident85.9Confident37 Ų3775.8 Ų75.817%0.17337%0.371CS..  trans-117.3158.4174.1-68.5-66.6174.500111.5K504 L507 I548 M563 E569 F573K504-E571 WeakPolarHBondContact CD-OE1 3.39Å; K504-E571 WeakPolarHBondContact CE-OE1 3.16Å; K504-E571 IonicContact NZ-OE1 3.14Å; K504-E571 PolarHBondContact NZ-OE1 3.41Å; K504-E571 IonicContact NZ-OE2 3.62Å; L507-E571 HydrophobicContact CD2-CG 4.31Å; I548-E571 HydrophobicContact CD1-CB 3.96Å; I548-E571 HydrophobicContact CD1-CG 4.33Å; M563-E571 HydrophobicContact CE-CB 3.81Å; M563-E571 HydrophobicContact CE-CG 3.64Å; M563-E571 HydrophobicContact SD-CB 4.48Å; E569-E571 PolarHBondContact O-N 3.48Å; E571-F573 HydrophobicContact CB-CE2 4.28Å
572T89Confident85.7Confident60 Ų6079.8 Ų79.837%0.36839%0.387SS..  trans-92.2126.7178.5-58.10000110.2A547 I548A547-T572 CarbonylContact C-O 3.49Å; A547-T572 WeakPolarHBondContact CA-O 3.35Å; A547-T572 HydrophobicContact CB-CG2 4.05Å; I548-T572 PolarHBondContact N-O 3.23Å
573F90.9Very high85.5Confident25 Ų2582.8 Ų82.811%0.1141%0.413CS..EExtended strand (participates in β ladder)trans-106.4139.6175.4-70.1-96.9000111L511 I548 A556 C559 I560 M563 E571 P575L511-F573 HydrophobicContact CD1-CZ 4.26Å; I548-F573 HydrophobicContact CB-CD1 3.87Å; I548-F573 HydrophobicContact CB-CE1 3.95Å; I548-F573 HydrophobicContact CB-CG 4.46Å; I548-F573 HydrophobicContact CD1-CE1 3.91Å; I548-F573 HydrophobicContact CD1-CE2 4.38Å; I548-F573 HydrophobicContact CD1-CZ 3.79Å; I548-F573 HydrophobicContact CG2-CD1 3.88Å; I548-F573 HydrophobicContact CG2-CE1 3.75Å; I548-F573 CarbonylContact O-C 3.54Å; I548-F573 VanDerWaalsContact O-CA 3.31Å; I548-F573 WeakPolarHBondContact O-CA 3.46Å; A556-F573 HydrophobicContact CB-CB 3.9Å; A556-F573 HydrophobicContact CB-CD1 4.28Å; A556-F573 HydrophobicContact CB-CG 4.16Å; C559-F573 HydrophobicContact CB-CE1 3.56Å; C559-F573 HydrophobicContact CB-CZ 3.63Å; I560-F573 HydrophobicContact CD1-CD2 4.01Å; I560-F573 HydrophobicContact CD1-CE2 4.35Å; I560-F573 HydrophobicContact CG1-CD2 3.8Å; I560-F573 HydrophobicContact CG1-CE2 3.62Å; I560-F573 HydrophobicContact CG1-CZ 4.41Å; M563-F573 HydrophobicContact SD-CE2 3.84Å; M563-F573 HydrophobicContact SD-CZ 3.7Å; E571-F573 HydrophobicContact CB-CE2 4.28Å; F573-P575 WeakPolarHBondContact O-CD 3.39Å
574L90.7Very high85.4Confident6 Ų684.1 Ų84.13%0.03142%0.42CS..EExtended strand (participates in β ladder)trans-115.190.2173.6-63.7176.7000108.8Y544 A547 I548 C550 L576 L579 A614 F617Y544-L574 HydrophobicContact CD1-CD1 4.46Å; Y544-L574 HydrophobicContact CD1-CD2 4.24Å; Y544-L574 HydrophobicContact CE1-CD2 4.28Å; A547-L574 HydrophobicContact CB-CD1 3.72Å; A547-L574 HydrophobicContact CB-CG 3.88Å; I548-L574 PolarHBondContact O-N 2.86Å; C550-L574 PolarHBondContact N-O 2.9Å; C550-L574 VanDerWaalsContact N-O 3.11Å; L574-L576 PolarHBondContact O-N 2.89Å; L574-L579 HydrophobicContact CD2-CD1 4.03Å; L574-A614 HydrophobicContact CD1-CB 4.16Å; L574-F617 HydrophobicContact CD2-CD1 4.08Å; L574-F617 HydrophobicContact CD2-CE1 3.89Å
575P91.6Very high85.4Confident21 Ų2180.5 Ų80.514%0.13641%0.407CS..EExtended strand (participates in β ladder)trans-74116.6177.629.2-33.4000110.3C550 E553 F573 D577 F578 L579C550-P575 WeakPolarHBondContact O-CA 3.35Å; E553-P575 HydrophobicContact CB-CB 4.49Å; F573-P575 WeakPolarHBondContact O-CD 3.39Å; P575-D577 VanDerWaalsContact C-N 3.3Å; P575-D577 PolarHBondContact O-N 3.44Å; P575-F578 HydrophobicContact CB-CB 4.36Å; P575-F578 HydrophobicContact CG-CB 4.05Å; P575-F578 PolarHBondContact O-N 2.93Å; P575-L579 WeakPolarHBondContact O-CB 3.47Å; P575-L579 PolarHBondContact O-N 2.94Å
576L89.2Confident85.5Confident15 Ų1580.2 Ų80.28%0.07940%0.402CS..THydrogen-bonded Turntrans-65.2-31.1-172.4-70172.4000112.9V549 C550 D551 L574 I610 K613 A614V549-L576 HydrophobicContact CG1-CD1 3.87Å; V549-L576 HydrophobicContact CG1-CD2 3.77Å; V549-L576 HydrophobicContact CG1-CG 3.75Å; C550-L576 VanDerWaalsContact O-CG 3.32Å; C550-L576 WeakPolarHBondContact O-CG 3.39Å; C550-L576 PolarHBondContact O-N 3.22Å; D551-L576 PolarHBondContact O-N 3.06Å; L574-L576 PolarHBondContact O-N 2.89Å; L576-I610 HydrophobicContact CD1-CD1 4.35Å; L576-I610 HydrophobicContact CD1-CG1 4.07Å; L576-I610 HydrophobicContact CD1-CG2 4.13Å; L576-K613 HydrophobicContact CD2-CB 4.34Å; L576-K613 WeakPolarHBondContact O-CD 3.47Å; L576-K613 WeakPolarHBondContact O-CE 3.38Å; L576-K613 PolarHBondContact O-NZ 3.37Å; L576-A614 HydrophobicContact CD2-CB 4.16Å
577D88Confident85.6Confident92 Ų9282.3 Ų82.349%0.49241%0.41SS..THydrogen-bonded Turntrans-66.4-43.9175.265.6-15000112.9D551 S552 E553 P575D551-D577 PolarHBondContact O-N 3.3Å; D551-D577 VanDerWaalsContact O-N 3.07Å; S552-D577 VanDerWaalsContact CA-OD1 3.25Å; S552-D577 WeakPolarHBondContact CA-OD1 3.16Å; S552-D577 VanDerWaalsContact CA-OD2 3.29Å; S552-D577 WeakPolarHBondContact CA-OD2 3.44Å; S552-D577 VanDerWaalsContact CB-OD2 3.27Å; S552-D577 WeakPolarHBondContact CB-OD2 3.34Å; E553-D577 PolarHBondContact N-OD1 3.35Å; E553-D577 PolarHBondContact N-OD2 3.44Å; P575-D577 VanDerWaalsContact C-N 3.3Å; P575-D577 PolarHBondContact O-N 3.44Å
578F85.3Confident86Confident143 Ų14372 Ų7263%0.62737%0.371SS*.THydrogen-bonded Turntrans-96.2-4.9-170.4-149.3-99000113.3E553 P575 D580E553-F578 HydrophobicContact CB-CB 4.33Å; P575-F578 HydrophobicContact CB-CB 4.36Å; P575-F578 HydrophobicContact CG-CB 4.05Å; P575-F578 PolarHBondContact O-N 2.93Å; F578-D580 PolarHBondContact O-N 2.83Å
579L86.5Confident86.5Confident17 Ų1774.8 Ų74.89%0.08938%0.378CS..  trans-70.7113.2179.9-154.969.7000111.3L574 P575 V581 K613 A614 F617L574-L579 HydrophobicContact CD2-CD1 4.03Å; P575-L579 WeakPolarHBondContact O-CB 3.47Å; P575-L579 PolarHBondContact O-N 2.94Å; L579-V581 HydrophobicContact CB-CG2 4.48Å; L579-V581 HydrophobicContact CD2-CG2 4.13Å; L579-V581 HydrophobicContact CG-CG2 4.12Å; L579-K613 HydrophobicContact CD2-CG 4.47Å; L579-K613 WeakPolarHBondContact O-CE 3.48Å; L579-K613 PolarHBondContact O-NZ 3.34Å; L579-A614 HydrophobicContact CD2-CB 4.31Å; L579-F617 HydrophobicContact CD1-CD1 3.95Å; L579-F617 HydrophobicContact CD1-CD2 4.01Å; L579-F617 HydrophobicContact CD1-CE1 4.08Å; L579-F617 HydrophobicContact CD1-CE2 4.15Å; L579-F617 HydrophobicContact CD1-CG 3.9Å; L579-F617 HydrophobicContact CD1-CZ 4.19Å; L579-F617 HydrophobicContact CD2-CB 3.62Å; L579-F617 HydrophobicContact CD2-CD1 4.32Å; L579-F617 HydrophobicContact CD2-CD2 4.49Å; L579-F617 HydrophobicContact CD2-CG 3.92Å; L579-F617 HydrophobicContact CG-CB 4.11Å; L579-F617 HydrophobicContact CG-CD1 4.45Å; L579-F617 HydrophobicContact CG-CD2 4.06Å; L579-F617 HydrophobicContact CG-CG 3.96Å
580D86.2Confident86.9Confident135 Ų13578.4 Ų78.472%0.72240%0.395SS*.  trans-83.3119.5171.5-177.224.5000110.6F578 F617F578-D580 PolarHBondContact O-N 2.83Å; D580-F617 WeakPolarHBondContact O-CD2 3.32Å
581V85.4Confident86.8Confident36 Ų3673.2 Ų73.222%0.21836%0.36CS..  trans-122.9119.7-171.6-174.90000109.8L579 K613 T616 F617L579-V581 HydrophobicContact CB-CG2 4.48Å; L579-V581 HydrophobicContact CD2-CG2 4.13Å; L579-V581 HydrophobicContact CG-CG2 4.12Å; V581-K613 HydrophobicContact CG2-CD 4.45Å; V581-K613 HydrophobicContact CG2-CG 3.62Å; V581-T616 HydrophobicContact CG1-CG2 3.42Å; V581-T616 VanDerWaalsContact CG1-CG2 3.42Å; V581-F617 HydrophobicContact CG2-CB 4.16Å
582K84.9Confident86.6Confident175 Ų17576.4 Ų76.476%0.76139%0.386SS*.PPolyproline II helixtrans-71.3134.5172.9-66.4-174.7179.1-176.50110.1
583P84.6Confident86.3Confident117 Ų11778.2 Ų78.276%0.7639%0.394SS*.PPolyproline II helixtrans-56.1145.1173.8-22.832000111.7
584I84.9Confident85.9Confident36 Ų3677.3 Ų77.319%0.18539%0.39CS..PPolyproline II helixtrans-71.4136.7176.9-56.4-179000109E586 L599 I601 T616 N621I584-E586 PolarHBondContact O-N 3.33Å; I584-E586 VanDerWaalsContact O-N 3.15Å; I584-L599 HydrophobicContact CG2-CD1 3.77Å; I584-L599 HydrophobicContact CG2-CD2 4.36Å; I584-I601 HydrophobicContact CD1-CD1 3.52Å; I584-I601 HydrophobicContact CD1-CG2 3.95Å; I584-T616 HydrophobicContact CD1-CG2 3.88Å; I584-T616 HydrophobicContact CG1-CG2 3.71Å; I584-N621 WeakPolarHBondContact CA-OD1 3.46Å
585D86.2Confident85.5Confident64 Ų6480.3 Ų80.334%0.34241%0.41SS..  trans-78.898.2173.6-176.87.3000109.8K587 L588 N621D585-K587 PolarHBondContact O-N 3.29Å; D585-K587 WeakPolarHBondContact OD1-CB 3.32Å; D585-K587 PolarHBondContact OD1-N 3.35Å; D585-L588 HydrophobicContact CB-CD1 3.9Å; D585-L588 HydrophobicContact CB-CG 3.96Å; D585-L588 WeakPolarHBondContact O-CB 3.32Å; D585-L588 WeakPolarHBondContact O-CG 3.33Å; D585-L588 PolarHBondContact O-N 3.39Å; D585-N621 WeakPolarHBondContact CB-ND2 3.2Å; D585-N621 PolarHBondContact N-ND2 3.4Å; D585-N621 PolarHBondContact N-OD1 2.85Å
586E85.6Confident85.2Confident103 Ų10382.9 Ų82.948%0.48142%0.423SS..G310 helixtrans-58.4-26.5-178.7-71.7-66.5164.400113I584 L588 R589I584-E586 PolarHBondContact O-N 3.33Å; I584-E586 VanDerWaalsContact O-N 3.15Å; E586-L588 PolarHBondContact O-N 2.87Å; E586-L588 VanDerWaalsContact O-N 3.1Å; E586-R589 WeakPolarHBondContact O-CB 3.37Å; E586-R589 PolarHBondContact O-N 3.32Å; E586-R589 VanDerWaalsContact O-N 3.08Å; E586-R589 IonicContact OE1-CZ 2.83Å; E586-R589 IonicContact OE1-NH1 2.87Å; E586-R589 PolarHBondContact OE1-NH1 2.97Å; E586-R589 WeakPolarHBondContact OE2-CD 3.42Å; E586-R589 IonicContact OE2-CZ 3.81Å; E586-R589 IonicContact OE2-NE 3.71Å; E586-R589 IonicContact OE2-NH1 3.63Å; E586-R589 PolarHBondContact OE2-NH1 2.67Å
587K85.7Confident85.2Confident153 Ų15382.8 Ų82.867%0.66542%0.423SS*.G310 helixtrans-61.9-21.1176.4-60.2180-179.7179.90112.7D585 R589 E590D585-K587 PolarHBondContact O-N 3.29Å; D585-K587 WeakPolarHBondContact OD1-CB 3.32Å; D585-K587 PolarHBondContact OD1-N 3.35Å; K587-R589 PolarHBondContact O-N 3.35Å; K587-E590 PolarHBondContact O-N 3.31Å
588L85.9Confident85.4Confident7 Ų781.8 Ų81.84%0.03742%0.415CS..G310 helixtrans-72.7-16.2178.8-59177.1000113.2D585 E586 E590 I591 L599 N621 L623 K642D585-L588 HydrophobicContact CB-CD1 3.9Å; D585-L588 HydrophobicContact CB-CG 3.96Å; D585-L588 WeakPolarHBondContact O-CB 3.32Å; D585-L588 WeakPolarHBondContact O-CG 3.33Å; D585-L588 PolarHBondContact O-N 3.39Å; E586-L588 PolarHBondContact O-N 2.87Å; E586-L588 VanDerWaalsContact O-N 3.1Å; L588-E590 VanDerWaalsContact C-N 3.26Å; L588-I591 HydrophobicContact CD2-CD1 4.11Å; L588-L599 HydrophobicContact CB-CD2 4.09Å; L588-L599 HydrophobicContact CB-CG 4.49Å; L588-L599 HydrophobicContact CD1-CD2 4.18Å; L588-N621 HydrophobicContact CD1-CB 3.58Å; L588-L623 HydrophobicContact CB-CD2 4.12Å; L588-L623 HydrophobicContact CD2-CD1 4.37Å; L588-K642 HydrophobicContact CD2-CD 4.05Å; L588-K642 HydrophobicContact CD2-CG 4.35Å
589R87.6Confident85.7Confident121 Ų12175 Ų7546%0.45739%0.385SS..G310 helixtrans-73.7-17.8172.8-68.9-174.7168.1142.60.2113.1E586 K587 I591 L599 D602E586-R589 WeakPolarHBondContact O-CB 3.37Å; E586-R589 PolarHBondContact O-N 3.32Å; E586-R589 VanDerWaalsContact O-N 3.08Å; E586-R589 IonicContact OE1-CZ 2.83Å; E586-R589 IonicContact OE1-NH1 2.87Å; E586-R589 PolarHBondContact OE1-NH1 2.97Å; E586-R589 WeakPolarHBondContact OE2-CD 3.42Å; E586-R589 IonicContact OE2-CZ 3.81Å; E586-R589 IonicContact OE2-NE 3.71Å; E586-R589 IonicContact OE2-NH1 3.63Å; E586-R589 PolarHBondContact OE2-NH1 2.67Å; K587-R589 PolarHBondContact O-N 3.35Å; R589-I591 VanDerWaalsContact C-N 3.32Å; R589-L599 HydrophobicContact CG-CD1 3.5Å; R589-L599 VanDerWaalsContact CG-CD1 3.5Å; R589-L599 HydrophobicContact CG-CG 4.32Å; R589-D602 IonicContact CZ-OD1 3.42Å; R589-D602 IonicContact CZ-OD2 2.96Å; R589-D602 IonicContact NE-OD1 3.73Å; R589-D602 IonicContact NE-OD2 2.61Å; R589-D602 PolarHBondContact NE-OD2 3.3Å; R589-D602 IonicContact NH2-OD1 3.24Å; R589-D602 PolarHBondContact NH2-OD1 3.49Å; R589-D602 IonicContact NH2-OD2 2.67Å; R589-D602 PolarHBondContact NH2-OD2 3.36Å
590E84.8Confident85.9Confident155 Ų15574.3 Ų74.372%0.72438%0.381SS*.G310 helixtrans-85.8-1.3-177.5-59.2177.1174.500113.1K587 L588 S592K587-E590 PolarHBondContact O-N 3.31Å; L588-E590 VanDerWaalsContact C-N 3.26Å; E590-S592 PolarHBondContact O-N 3.49Å
591I84Confident86Confident20 Ų2068.6 Ų68.610%0.10335%0.351CS..  trans-71.8100.4179.7-59.1172.8000109.3L588 R589 V597 L623 V634 M638 K642L588-I591 HydrophobicContact CD2-CD1 4.11Å; R589-I591 VanDerWaalsContact C-N 3.32Å; I591-V597 HydrophobicContact CB-CB 4.5Å; I591-V597 HydrophobicContact CB-CG1 4.19Å; I591-V597 HydrophobicContact CG2-CB 4.11Å; I591-V597 HydrophobicContact CG2-CG1 4Å; I591-V597 HydrophobicContact CG2-CG2 4.24Å; I591-L623 HydrophobicContact CD1-CD1 3.7Å; I591-V634 HydrophobicContact CD1-CG1 4.29Å; I591-M638 HydrophobicContact CG2-SD 3.88Å; I591-K642 HydrophobicContact CD1-CD 4.38Å
592S81.5Confident86.2Confident104 Ų10470.7 Ų70.773%0.72736%0.361SS*.  trans-98.7-17178.657.40000114.5E590 P594E590-S592 PolarHBondContact O-N 3.49Å; S592-P594 CarbonylContact C-O 3.11Å; S592-P594 CarbonylContact O-C 3.48Å
593D82.8Confident86.4Confident98 Ų9862.7 Ų62.752%0.52433%0.327SS..SBendtrans-125.3115.2179.3-176.220.1000109.5M638D593-M638 WeakPolarHBondContact O-CE 3.41Å
594P82.6Confident86.6Confident6 Ų657.9 Ų57.94%0.03929%0.294CS..SBendcis-70.1162.51.128.5-34.7000113.3S592 V597 H630 Y633 V634S592-P594 CarbonylContact C-O 3.11Å; S592-P594 CarbonylContact O-C 3.48Å; P594-V597 HydrophobicContact CG-CG2 3.99Å; P594-V597 VanDerWaalsContact O-CG2 3.26Å; P594-V597 WeakPolarHBondContact O-CG2 3.46Å; P594-H630 HydrophobicContact CB-CB 4.05Å; P594-H630 HydrophobicContact CG-CB 3.65Å; P594-Y633 HydrophobicContact CG-CD1 4.38Å; P594-V634 HydrophobicContact CG-CG2 3.79Å
595P83.1Confident86.7Confident69 Ų6961.6 Ų61.645%0.44831%0.311SS..THydrogen-bonded Turntrans-65159.7178.427.3-35.2000112.6V597P595-V597 VanDerWaalsContact C-N 3.34Å; P595-V597 PolarHBondContact O-N 2.95Å
596N84.7Confident86.5Confident75 Ų7560.5 Ų60.540%0.40131%0.308SS..THydrogen-bonded Turntrans61.932.9175.8-58.3-41.5000115E626N596-E626 HydrophobicContact CB-CB 4.46Å; N596-E626 PolarHBondContact ND2-OE2 2.81Å
597V89.3Confident86Confident12 Ų1261.8 Ų61.87%0.07332%0.318CS..  trans-88121.6170.1179.70000109.2I591 P594 P595 L623 V624 V634I591-V597 HydrophobicContact CB-CB 4.5Å; I591-V597 HydrophobicContact CB-CG1 4.19Å; I591-V597 HydrophobicContact CG2-CB 4.11Å; I591-V597 HydrophobicContact CG2-CG1 4Å; I591-V597 HydrophobicContact CG2-CG2 4.24Å; P594-V597 HydrophobicContact CG-CG2 3.99Å; P594-V597 VanDerWaalsContact O-CG2 3.26Å; P594-V597 WeakPolarHBondContact O-CG2 3.46Å; P595-V597 VanDerWaalsContact C-N 3.34Å; P595-V597 PolarHBondContact O-N 2.95Å; V597-L623 HydrophobicContact CG1-CB 4.21Å; V597-L623 HydrophobicContact CG1-CD1 4.34Å; V597-L623 HydrophobicContact CG1-CD2 3.98Å; V597-L623 HydrophobicContact CG1-CG 4.41Å; V597-V624 WeakPolarHBondContact CA-O 3.34Å; V597-V634 HydrophobicContact CG2-CG2 4.05Å
598H90.9Very high85.4Confident72 Ų7257.2 Ų57.233%0.33330%0.304SS..EExtended strand (participates in β ladder)trans-130.9151.1179.4-57.2-61.8000110.9V603 L623 V624H598-V603 HydrophobicContact CB-CG1 4.2Å; H598-L623 CarbonylContact O-C 3.56Å; H598-L623 VanDerWaalsContact O-CA 3.31Å; H598-L623 WeakPolarHBondContact O-CA 3.46Å; H598-V624 HydrophobicContact CB-CG1 3.89Å; H598-V624 PolarHBondContact N-O 2.94Å; H598-V624 VanDerWaalsContact N-O 3.07Å; H598-V624 WeakPolarHBondContact O-CG1 3.43Å; H598-V624 PolarHBondContact O-N 2.97Å
599L92Very high84.9Confident1 Ų163.7 Ų63.71%0.00534%0.337CS..EExtended strand (participates in β ladder)trans-66.1136.9165.7-77.2166.8000109.5I584 L588 R589 I601 D602 L623I584-L599 HydrophobicContact CG2-CD1 3.77Å; I584-L599 HydrophobicContact CG2-CD2 4.36Å; L588-L599 HydrophobicContact CB-CD2 4.09Å; L588-L599 HydrophobicContact CB-CG 4.49Å; L588-L599 HydrophobicContact CD1-CD2 4.18Å; R589-L599 HydrophobicContact CG-CD1 3.5Å; R589-L599 VanDerWaalsContact CG-CD1 3.5Å; R589-L599 HydrophobicContact CG-CG 4.32Å; L599-I601 HydrophobicContact CB-CG2 4.1Å; L599-I601 PolarHBondContact O-N 3.39Å; L599-I601 VanDerWaalsContact O-N 3.17Å; L599-D602 PolarHBondContact O-N 3.44Å; L599-L623 HydrophobicContact CD2-CD2 3.82Å; L599-L623 HydrophobicContact CG-CD2 4.07Å
600V91.2Very high84.4Confident1 Ų162.3 Ų62.31%0.00634%0.338CS..G310 helixtrans-60.5-30.2-179.2174.50000111.6I537 V540 D602 V603 I604 C619 A622 V624 V645I537-V600 HydrophobicContact CG1-CG1 4.36Å; V540-V600 HydrophobicContact CB-CG1 4.19Å; V540-V600 HydrophobicContact CG1-CB 4.45Å; V540-V600 HydrophobicContact CG1-CG1 3.92Å; V540-V600 HydrophobicContact CG1-CG2 4.45Å; V540-V600 HydrophobicContact CG2-CG1 4.38Å; V540-V600 HydrophobicContact CG2-CG2 4.04Å; V600-D602 VanDerWaalsContact C-N 3.27Å; V600-D602 PolarHBondContact O-N 3.05Å; V600-V603 WeakPolarHBondContact O-CG2 3.22Å; V600-V603 PolarHBondContact O-N 2.94Å; V600-I604 HydrophobicContact CG1-CD1 3.9Å; V600-I604 WeakPolarHBondContact O-CD1 3.43Å; V600-I604 WeakPolarHBondContact O-CG1 3.06Å; V600-C619 HydrophobicContact CG1-CB 4.5Å; V600-A622 HydrophobicContact CB-CB 4.14Å; V600-A622 HydrophobicContact CG2-CB 3.73Å; V600-A622 WeakPolarHBondContact CG2-O 3.28Å; V600-A622 PolarHBondContact N-O 3.02Å; V600-V624 HydrophobicContact CG2-CB 4.2Å; V600-V645 HydrophobicContact CG2-CG1 4.18Å
601I89Confident84.2Confident16 Ų1655 Ų558%0.08230%0.303CS..G310 helixtrans-65.2-30.2176.7-158172.4000112.8I584 L599 V603 I604 L615 T616I584-I601 HydrophobicContact CD1-CD1 3.52Å; I584-I601 HydrophobicContact CD1-CG2 3.95Å; L599-I601 HydrophobicContact CB-CG2 4.1Å; L599-I601 PolarHBondContact O-N 3.39Å; L599-I601 VanDerWaalsContact O-N 3.17Å; I601-V603 VanDerWaalsContact C-N 3.3Å; I601-V603 PolarHBondContact O-N 2.87Å; I601-I604 PolarHBondContact O-N 2.97Å; I601-L615 HydrophobicContact CG1-CD2 4.07Å; I601-L615 HydrophobicContact CG1-CG 4.39Å; I601-T616 WeakPolarHBondContact CD1-OG1 3.45Å
602D88.9Confident84.2Confident80 Ų8060.2 Ų60.243%0.42833%0.325SS..G310 helixtrans-80.7-14.3-176.6-63.8-23.8000111.7R589 L599 V600R589-D602 IonicContact CZ-OD1 3.42Å; R589-D602 IonicContact CZ-OD2 2.96Å; R589-D602 IonicContact NE-OD1 3.73Å; R589-D602 IonicContact NE-OD2 2.61Å; R589-D602 PolarHBondContact NE-OD2 3.3Å; R589-D602 IonicContact NH2-OD1 3.24Å; R589-D602 PolarHBondContact NH2-OD1 3.49Å; R589-D602 IonicContact NH2-OD2 2.67Å; R589-D602 PolarHBondContact NH2-OD2 3.36Å; L599-D602 PolarHBondContact O-N 3.44Å; V600-D602 VanDerWaalsContact C-N 3.27Å; V600-D602 PolarHBondContact O-N 3.05Å
603V89.9Confident84.5Confident7 Ų759.1 Ų59.14%0.04231%0.308CS..G310 helixtrans-99.49.5174.7-62.50000113.3S529 Y533 I537 H598 V600 I601 V624S529-V603 PolarHBondContact N-O 3.39Å; S529-V603 PolarHBondContact OG-O 2.99Å; Y533-V603 HydrophobicContact CD1-CG1 4.41Å; Y533-V603 HydrophobicContact CD2-CB 3.94Å; Y533-V603 HydrophobicContact CD2-CG1 4.13Å; Y533-V603 HydrophobicContact CE1-CG1 4.09Å; Y533-V603 HydrophobicContact CE2-CB 4.08Å; Y533-V603 HydrophobicContact CE2-CG1 3.78Å; Y533-V603 HydrophobicContact CG-CB 4.17Å; Y533-V603 HydrophobicContact CG-CG1 4.41Å; Y533-V603 HydrophobicContact CG-CG2 4.49Å; I537-V603 HydrophobicContact CD1-CG2 4.08Å; I537-V603 HydrophobicContact CG1-CG2 4.21Å; H598-V603 HydrophobicContact CB-CG1 4.2Å; V600-V603 WeakPolarHBondContact O-CG2 3.22Å; V600-V603 PolarHBondContact O-N 2.94Å; I601-V603 VanDerWaalsContact C-N 3.3Å; I601-V603 PolarHBondContact O-N 2.87Å; V603-V624 HydrophobicContact CG1-CG1 4.31Å; V603-V624 HydrophobicContact CG2-CG1 4.23Å
604I88.5Confident84.8Confident15 Ų1554.4 Ų54.48%0.07728%0.283CS..EExtended strand (participates in β ladder)trans-117.6121.2177.8-62.1170.4000109.4C526 I537 V600 I601 L615C526-I604 HydrophobicContact CB-CG2 3.65Å; I537-I604 HydrophobicContact CD1-CG1 3.77Å; I537-I604 HydrophobicContact CG1-CD1 4.24Å; I537-I604 HydrophobicContact CG1-CG1 3.96Å; I537-I604 HydrophobicContact CG2-CD1 3.78Å; I537-I604 HydrophobicContact CG2-CG1 4.02Å; V600-I604 HydrophobicContact CG1-CD1 3.9Å; V600-I604 WeakPolarHBondContact O-CD1 3.43Å; V600-I604 WeakPolarHBondContact O-CG1 3.06Å; I601-I604 PolarHBondContact O-N 2.97Å; I604-L615 HydrophobicContact CB-CD2 4.06Å; I604-L615 HydrophobicContact CD1-CD1 3.87Å; I604-L615 HydrophobicContact CG2-CD1 3.99Å; I604-L615 HydrophobicContact CG2-CD2 3.68Å; I604-L615 HydrophobicContact CG2-CG 4.48Å
605Q86.1Confident85Confident115 Ų11554.3 Ų54.354%0.53728%0.281SS..EExtended strand (participates in β ladder)trans-82.7136.9167.9-65.9177.5-11.400109C526 Q527C526-Q605 CarbonylContact C-O 3.51Å; C526-Q605 WeakPolarHBondContact CA-O 3.49Å; C526-Q605 WeakPolarHBondContact CB-O 3.41Å; Q527-Q605 PolarHBondContact N-O 2.91Å; Q527-Q605 PolarHBondContact O-N 3.08Å
606C82Confident85.3Confident40 Ų4051.9 Ų51.927%0.2727%0.266SS..EExtended strand (participates in β ladder)trans-134.7129.3-174-1760000110.1L615C606-L615 HydrophobicContact CB-CD2 4.29Å
607D75.3Confident85.6Confident131 Ų13151.8 Ų51.870%0.70126%0.262SS*.SBendtrans-147.1117.8176-175.112.6000108.5M525M525-D607 PolarHBondContact O-N 2.78Å
608P72.6Confident85.6Confident56 Ų5651.4 Ų51.436%0.36426%0.26SS..SBendcis-85.5160.67.329.2-29.8000115.7I610 V611P608-I610 HydrophobicContact CG-CG2 4.19Å; P608-I610 PolarHBondContact O-N 3.19Å; P608-V611 HydrophobicContact CG-CG2 4.28Å; P608-V611 WeakPolarHBondContact O-CB 3.31Å; P608-V611 WeakPolarHBondContact O-CG2 3.3Å; P608-V611 PolarHBondContact O-N 2.92Å; P608-V611 VanDerWaalsContact O-N 3.08Å
609I76.5Confident85.5Confident144 Ų14448 Ų4874%0.73824%0.244SC*.G310 helixtrans-53.1-29-177.9-68168.3000113.2V611 K612I609-V611 PolarHBondContact O-N 3.37Å; I609-V611 VanDerWaalsContact O-N 3.08Å; I609-K612 WeakPolarHBondContact O-CB 3.44Å; I609-K612 PolarHBondContact O-N 2.92Å
610I77.6Confident85.2Confident92 Ų9249.1 Ų49.147%0.47226%0.256SS..G310 helixtrans-57.3-26.9-179.3-143172.5000112.4L576 P608 K612L576-I610 HydrophobicContact CD1-CD1 4.35Å; L576-I610 HydrophobicContact CD1-CG1 4.07Å; L576-I610 HydrophobicContact CD1-CG2 4.13Å; P608-I610 HydrophobicContact CG-CG2 4.19Å; P608-I610 PolarHBondContact O-N 3.19Å; I610-K612 VanDerWaalsContact C-N 3.28Å; I610-K612 PolarHBondContact O-N 3.49Å
611V79.5Confident85.2Confident0 Ų050.4 Ų50.40%026%0.263CS..G310 helixtrans-79-11.8-178.2-1740000112L522 M525 V549 P608 I609 K613 A614 L615L522-V611 HydrophobicContact CD1-CG1 3.49Å; L522-V611 VanDerWaalsContact CD1-CG1 3.49Å; M525-V611 HydrophobicContact CB-CG1 4.13Å; M525-V611 HydrophobicContact CB-CG2 4.01Å; M525-V611 HydrophobicContact CE-CG2 4.44Å; M525-V611 HydrophobicContact CG-CG2 4.25Å; M525-V611 HydrophobicContact SD-CG2 3.44Å; M525-V611 WeakPolarHBondContact SD-CG2 3.34Å; V549-V611 HydrophobicContact CG2-CG1 4.46Å; P608-V611 HydrophobicContact CG-CG2 4.28Å; P608-V611 WeakPolarHBondContact O-CB 3.31Å; P608-V611 WeakPolarHBondContact O-CG2 3.3Å; P608-V611 PolarHBondContact O-N 2.92Å; P608-V611 VanDerWaalsContact O-N 3.08Å; I609-V611 PolarHBondContact O-N 3.37Å; I609-V611 VanDerWaalsContact O-N 3.08Å; V611-K613 PolarHBondContact O-N 3.48Å; V611-K613 VanDerWaalsContact O-N 3.16Å; V611-A614 HydrophobicContact CG1-CB 4.37Å; V611-A614 WeakPolarHBondContact O-CB 3.27Å; V611-A614 PolarHBondContact O-N 2.78Å; V611-L615 PolarHBondContact O-N 2.81Å
612K85.1Confident85.3Confident130 Ų13049.7 Ų49.757%0.56526%0.259SS*.Hα-helixtrans-57.3-33.1178-167.5175.9-176.6178.10112.4I609 I610 L615 T616I609-K612 WeakPolarHBondContact O-CB 3.44Å; I609-K612 PolarHBondContact O-N 2.92Å; I610-K612 VanDerWaalsContact C-N 3.28Å; I610-K612 PolarHBondContact O-N 3.49Å; K612-L615 PolarHBondContact O-N 2.87Å; K612-T616 WeakPolarHBondContact O-CB 3.38Å; K612-T616 PolarHBondContact O-N 2.85Å; K612-T616 PolarHBondContact O-OG1 3.12Å
613K87.2Confident85.5Confident81 Ų8145.9 Ų45.935%0.35224%0.239SC..Hα-helixtrans-63.9-47.4174.6-168.2178.8-179.9-167.70111.3L576 L579 V581 V611 T616 F617L576-K613 HydrophobicContact CD2-CB 4.34Å; L576-K613 WeakPolarHBondContact O-CD 3.47Å; L576-K613 WeakPolarHBondContact O-CE 3.38Å; L576-K613 PolarHBondContact O-NZ 3.37Å; L579-K613 HydrophobicContact CD2-CG 4.47Å; L579-K613 WeakPolarHBondContact O-CE 3.48Å; L579-K613 PolarHBondContact O-NZ 3.34Å; V581-K613 HydrophobicContact CG2-CD 4.45Å; V581-K613 HydrophobicContact CG2-CG 3.62Å; V611-K613 PolarHBondContact O-N 3.48Å; V611-K613 VanDerWaalsContact O-N 3.16Å; K613-T616 PolarHBondContact O-N 3.24Å; K613-F617 PolarHBondContact O-N 2.81Å; K613-F617 VanDerWaalsContact O-N 3.12Å
614A88.1Confident85.6Confident0 Ų045.7 Ų45.70%024%0.238CC..Hα-helixtrans-64-39.4175.500000112.7L522 V549 L574 L576 L579 V611 F617 A618L522-A614 HydrophobicContact CD1-CB 4.33Å; V549-A614 HydrophobicContact CG1-CB 4.4Å; V549-A614 HydrophobicContact CG2-CB 4.28Å; L574-A614 HydrophobicContact CD1-CB 4.16Å; L576-A614 HydrophobicContact CD2-CB 4.16Å; L579-A614 HydrophobicContact CD2-CB 4.31Å; V611-A614 HydrophobicContact CG1-CB 4.37Å; V611-A614 WeakPolarHBondContact O-CB 3.27Å; V611-A614 PolarHBondContact O-N 2.78Å; A614-F617 WeakPolarHBondContact O-CB 3.35Å; A614-F617 PolarHBondContact O-N 3.33Å; A614-A618 PolarHBondContact O-N 3.2Å
615L88Confident85.8Confident3 Ų345 Ų452%0.01624%0.235CC..Hα-helixtrans-66.8-42.4177.3-171.167.8000112L541 I601 I604 C606 V611 K612 F617 A618 C619L541-L615 HydrophobicContact CD2-CD1 4.18Å; I601-L615 HydrophobicContact CG1-CD2 4.07Å; I601-L615 HydrophobicContact CG1-CG 4.39Å; I604-L615 HydrophobicContact CB-CD2 4.06Å; I604-L615 HydrophobicContact CD1-CD1 3.87Å; I604-L615 HydrophobicContact CG2-CD1 3.99Å; I604-L615 HydrophobicContact CG2-CD2 3.68Å; I604-L615 HydrophobicContact CG2-CG 4.48Å; C606-L615 HydrophobicContact CB-CD2 4.29Å; V611-L615 PolarHBondContact O-N 2.81Å; K612-L615 PolarHBondContact O-N 2.87Å; L615-F617 VanDerWaalsContact C-N 3.29Å; L615-F617 PolarHBondContact O-N 3.4Å; L615-A618 PolarHBondContact O-N 3.13Å; L615-C619 WeakPolarHBondContact O-CB 3.43Å; L615-C619 PolarHBondContact O-N 3.32Å; L615-C619 PolarHBondContact O-SG 3.26Å
616T89.4Confident86Confident19 Ų1943.3 Ų43.312%0.11723%0.227CC..Hα-helixtrans-61.7-40176.6-54.20000111V581 I584 I601 K612 K613 G620V581-T616 HydrophobicContact CG1-CG2 3.42Å; V581-T616 VanDerWaalsContact CG1-CG2 3.42Å; I584-T616 HydrophobicContact CD1-CG2 3.88Å; I584-T616 HydrophobicContact CG1-CG2 3.71Å; I601-T616 WeakPolarHBondContact CD1-OG1 3.45Å; K612-T616 WeakPolarHBondContact O-CB 3.38Å; K612-T616 PolarHBondContact O-N 2.85Å; K612-T616 PolarHBondContact O-OG1 3.12Å; K613-T616 PolarHBondContact O-N 3.24Å; T616-G620 WeakPolarHBondContact O-CA 3.08Å; T616-G620 PolarHBondContact O-N 3.4Å
617F90.4Very high86.3Confident72 Ų7243.9 Ų43.932%0.31623%0.229SC..Hα-helixtrans-62.3-46.3173176.4-100000112.8Y544 L574 L579 D580 V581 K613 A614 L615Y544-F617 HydrophobicContact CD1-CE1 4.42Å; Y544-F617 HydrophobicContact CE1-CD1 4.4Å; Y544-F617 AromaticContact CE1-CE1 3.66Å; Y544-F617 HydrophobicContact CE1-CE1 3.66Å; Y544-F617 HydrophobicContact CE2-CE1 4.43Å; Y544-F617 AromaticContact CZ-CE1 3.64Å; L574-F617 HydrophobicContact CD2-CD1 4.08Å; L574-F617 HydrophobicContact CD2-CE1 3.89Å; L579-F617 HydrophobicContact CD1-CD1 3.95Å; L579-F617 HydrophobicContact CD1-CD2 4.01Å; L579-F617 HydrophobicContact CD1-CE1 4.08Å; L579-F617 HydrophobicContact CD1-CE2 4.15Å; L579-F617 HydrophobicContact CD1-CG 3.9Å; L579-F617 HydrophobicContact CD1-CZ 4.19Å; L579-F617 HydrophobicContact CD2-CB 3.62Å; L579-F617 HydrophobicContact CD2-CD1 4.32Å; L579-F617 HydrophobicContact CD2-CD2 4.49Å; L579-F617 HydrophobicContact CD2-CG 3.92Å; L579-F617 HydrophobicContact CG-CB 4.11Å; L579-F617 HydrophobicContact CG-CD1 4.45Å; L579-F617 HydrophobicContact CG-CD2 4.06Å; L579-F617 HydrophobicContact CG-CG 3.96Å; D580-F617 WeakPolarHBondContact O-CD2 3.32Å; V581-F617 HydrophobicContact CG2-CB 4.16Å; K613-F617 PolarHBondContact O-N 2.81Å; K613-F617 VanDerWaalsContact O-N 3.12Å; A614-F617 WeakPolarHBondContact O-CB 3.35Å; A614-F617 PolarHBondContact O-N 3.33Å; L615-F617 VanDerWaalsContact C-N 3.29Å; L615-F617 PolarHBondContact O-N 3.4Å
618A88.7Confident87Confident4 Ų439.9 Ų39.93%0.03321%0.209CC..Hα-helixtrans-70-44.2-176.900000112.7L522 L541 Y544 A614 L615L522-A618 HydrophobicContact CD2-CB 4.15Å; L541-A618 HydrophobicContact CD2-CB 3.82Å; Y544-A618 HydrophobicContact CD2-CB 3.96Å; Y544-A618 HydrophobicContact CG-CB 4.05Å; A614-A618 PolarHBondContact O-N 3.2Å; L615-A618 PolarHBondContact O-N 3.13Å
619C89Confident87.8Confident0 Ų044.6 Ų44.60%023%0.226CC..Hα-helixtrans-75.7-48.8-179.7-650000111.6V600 L615 A622 K643V600-C619 HydrophobicContact CG1-CB 4.5Å; L615-C619 WeakPolarHBondContact O-CB 3.43Å; L615-C619 PolarHBondContact O-N 3.32Å; L615-C619 PolarHBondContact O-SG 3.26Å; C619-A622 VanDerWaalsContact O-CB 3.28Å; C619-A622 WeakPolarHBondContact O-CB 3.49Å; C619-K643 PolarHBondContact O-NZ 3.28Å; C619-K643 VanDerWaalsContact O-NZ 3.12Å
620G87.4Confident88.6Confident26 Ų2640.2 Ų40.227%0.26820%0.202SC..SBendtrans57-151.4-164.800000111.9T616 A622T616-G620 WeakPolarHBondContact O-CA 3.08Å; T616-G620 PolarHBondContact O-N 3.4Å; G620-A622 PolarHBondContact O-N 3.15Å
621N90.3Very high89.1Confident28 Ų2835.8 Ų35.815%0.1518%0.18CC..SBendtrans-80.143.9174.8-67.81.8000112.2I584 D585 L588 R654I584-N621 WeakPolarHBondContact CA-OD1 3.46Å; D585-N621 WeakPolarHBondContact CB-ND2 3.2Å; D585-N621 PolarHBondContact N-ND2 3.4Å; D585-N621 PolarHBondContact N-OD1 2.85Å; L588-N621 HydrophobicContact CD1-CB 3.58Å; N621-R654 PolarHBondContact ND2-NH2 3.18Å
622A91.3Very high89.6Confident0 Ų043.3 Ų43.30%021%0.208CC..EExtended strand (participates in β ladder)trans-78135.3175.800000110.2V540 V600 C619 G620 K643V540-A622 HydrophobicContact CG1-CB 3.87Å; V540-A622 HydrophobicContact CG2-CB 4.43Å; V600-A622 HydrophobicContact CB-CB 4.14Å; V600-A622 HydrophobicContact CG2-CB 3.73Å; V600-A622 WeakPolarHBondContact CG2-O 3.28Å; V600-A622 PolarHBondContact N-O 3.02Å; C619-A622 VanDerWaalsContact O-CB 3.28Å; C619-A622 WeakPolarHBondContact O-CB 3.49Å; G620-A622 PolarHBondContact O-N 3.15Å; A622-K643 CarbonylContact C-O 3.43Å; A622-K643 WeakPolarHBondContact CA-O 3.35Å; A622-K643 HydrophobicContact CB-CD 3.89Å; A622-K643 HydrophobicContact CB-CG 4.08Å
623L92.8Very high89.8Confident0 Ų041.7 Ų41.70%020%0.199CC..EExtended strand (participates in β ladder)trans-108.5139.3175.8-66.6164.1000110.2L588 I591 V597 H598 L599 V634 K642 K643 T644 V645L588-L623 HydrophobicContact CB-CD2 4.12Å; L588-L623 HydrophobicContact CD2-CD1 4.37Å; I591-L623 HydrophobicContact CD1-CD1 3.7Å; V597-L623 HydrophobicContact CG1-CB 4.21Å; V597-L623 HydrophobicContact CG1-CD1 4.34Å; V597-L623 HydrophobicContact CG1-CD2 3.98Å; V597-L623 HydrophobicContact CG1-CG 4.41Å; H598-L623 CarbonylContact O-C 3.56Å; H598-L623 VanDerWaalsContact O-CA 3.31Å; H598-L623 WeakPolarHBondContact O-CA 3.46Å; L599-L623 HydrophobicContact CD2-CD2 3.82Å; L599-L623 HydrophobicContact CG-CD2 4.07Å; L623-V634 HydrophobicContact CD1-CG1 3.75Å; L623-K642 HydrophobicContact CD1-CB 4.49Å; L623-K642 HydrophobicContact CD1-CD 4.31Å; L623-K643 PolarHBondContact N-O 3.3Å; L623-T644 HydrophobicContact CB-CG2 4.26Å; L623-T644 HydrophobicContact CD1-CG2 4.45Å; L623-T644 CarbonylContact O-C 3.55Å; L623-T644 VanDerWaalsContact O-CA 3.27Å; L623-T644 WeakPolarHBondContact O-CA 3.48Å; L623-V645 WeakPolarHBondContact O-CG1 3.34Å; L623-V645 PolarHBondContact O-N 2.83Å
624V92.8Very high89.9Confident3 Ų337.9 Ų37.92%0.01818%0.183CC..EExtended strand (participates in β ladder)trans-99.6132.3168.960.80000109.2Y533 A536 V597 H598 V600 V603 V645 L647Y533-V624 HydrophobicContact CD1-CG2 4.32Å; A536-V624 HydrophobicContact CB-CG2 3.84Å; V597-V624 WeakPolarHBondContact CA-O 3.34Å; H598-V624 HydrophobicContact CB-CG1 3.89Å; H598-V624 PolarHBondContact N-O 2.94Å; H598-V624 VanDerWaalsContact N-O 3.07Å; H598-V624 WeakPolarHBondContact O-CG1 3.43Å; H598-V624 PolarHBondContact O-N 2.97Å; V600-V624 HydrophobicContact CG2-CB 4.2Å; V603-V624 HydrophobicContact CG1-CG1 4.31Å; V603-V624 HydrophobicContact CG2-CG1 4.23Å; V624-V645 CarbonylContact C-O 3.48Å; V624-V645 WeakPolarHBondContact CA-O 3.4Å; V624-V645 HydrophobicContact CB-CG1 4.01Å; V624-V645 HydrophobicContact CG2-CG1 4.17Å; V624-L647 HydrophobicContact CG2-CD2 4Å
625C91.8Very high89.9Confident2 Ų238 Ų381%0.01418%0.183CC..EExtended strand (participates in β ladder)trans-123.2155.1177.3-51.60000109.9H630 A631 V645 S646 L647C625-H630 HydrophobicContact CB-CB 3.92Å; C625-A631 HydrophobicContact CB-CB 3.97Å; C625-V645 PolarHBondContact N-O 2.97Å; C625-S646 CarbonylContact O-C 3.54Å; C625-S646 WeakPolarHBondContact O-CA 3.43Å; C625-L647 PolarHBondContact O-N 2.85Å
626E89.8Confident89.9Confident79 Ų7941.5 Ų41.537%0.36920%0.197SC..SBendtrans-66.3-50.1-175.7-169.4160.2-160.600113.2N596 L647N596-E626 HydrophobicContact CB-CB 4.46Å; N596-E626 PolarHBondContact ND2-OE2 2.81Å; E626-L647 HydrophobicContact CB-CD1 4.47Å; E626-L647 HydrophobicContact CG-CD1 4.06Å
627T89.8Confident89.6Confident52 Ų5246.9 Ų46.932%0.31922%0.221SC..SBendtrans-112.7161.4-177.267.90000111.9E629 H630 A631T627-E629 PolarHBondContact O-N 2.83Å; T627-H630 PolarHBondContact O-N 3.29Å; T627-H630 WeakPolarHBondContact OG1-CB 3.23Å; T627-H630 PolarHBondContact OG1-CD2 2.91Å; T627-H630 VanDerWaalsContact OG1-CD2 3.24Å; T627-H630 PolarHBondContact OG1-N 2.82Å; T627-A631 WeakPolarHBondContact O-CB 3.41Å; T627-A631 PolarHBondContact O-N 3.36Å
628V89.2Confident89Confident46 Ų4646.2 Ų46.228%0.27922%0.219SC..Hα-helixtrans-60.9-35.3172.11800000111A631 R632 E648 T650 F652V628-A631 PolarHBondContact O-N 3.16Å; V628-R632 VanDerWaalsContact O-CB 3.26Å; V628-R632 WeakPolarHBondContact O-CB 3.28Å; V628-R632 PolarHBondContact O-N 3Å; V628-E648 WeakPolarHBondContact CG2-OE2 3.3Å; V628-T650 HydrophobicContact CG1-CG2 4.15Å; V628-F652 HydrophobicContact CG1-CE2 4.46Å; V628-F652 HydrophobicContact CG1-CZ 4.26Å
629E89.8Confident88.5Confident155 Ų15549.1 Ų49.172%0.72425%0.249SC*.Hα-helixtrans-67.1-45.1177.1-61.1-167.1152.200112T627 A631 R632 Y633T627-E629 PolarHBondContact O-N 2.83Å; E629-A631 PolarHBondContact O-N 3.41Å; E629-R632 PolarHBondContact O-N 3.46Å; E629-Y633 WeakPolarHBondContact O-CB 3.4Å; E629-Y633 PolarHBondContact O-N 3.35Å
630H91.9Very high88.2Confident52 Ų5256 Ų5624%0.24129%0.287CS..Hα-helixtrans-61.8-44173.9-66.9178.8000111.1P594 C625 T627 R632 Y633 V634P594-H630 HydrophobicContact CB-CB 4.05Å; P594-H630 HydrophobicContact CG-CB 3.65Å; C625-H630 HydrophobicContact CB-CB 3.92Å; T627-H630 PolarHBondContact O-N 3.29Å; T627-H630 WeakPolarHBondContact OG1-CB 3.23Å; T627-H630 PolarHBondContact OG1-CD2 2.91Å; T627-H630 VanDerWaalsContact OG1-CD2 3.24Å; T627-H630 PolarHBondContact OG1-N 2.82Å; H630-R632 VanDerWaalsContact C-N 3.34Å; H630-R632 PolarHBondContact O-N 3.33Å; H630-Y633 PolarHBondContact O-N 3.12Å; H630-V634 WeakPolarHBondContact O-CG2 3.37Å; H630-V634 PolarHBondContact O-N 3.35Å
631A89.2Confident88.1Confident0 Ų061.6 Ų61.60%030%0.299CS..Hα-helixtrans-60.7-43.6176.800000111.8C625 T627 V628 E629 A635 T644 F652C625-A631 HydrophobicContact CB-CB 3.97Å; T627-A631 WeakPolarHBondContact O-CB 3.41Å; T627-A631 PolarHBondContact O-N 3.36Å; V628-A631 PolarHBondContact O-N 3.16Å; E629-A631 PolarHBondContact O-N 3.41Å; A631-A635 VanDerWaalsContact O-CB 3.28Å; A631-A635 WeakPolarHBondContact O-CB 3.49Å; A631-A635 PolarHBondContact O-N 2.84Å; A631-T644 PolarHBondContact O-OG1 3.24Å; A631-F652 HydrophobicContact CB-CD2 3.99Å; A631-F652 HydrophobicContact CB-CE2 3.82Å
632R88.9Confident88.1Confident157 Ų15762 Ų6259%0.59230%0.3SS*.Hα-helixtrans-63.6-42.5175.8-176.1-179.5179.6178.9-0.3111.5V628 E629 H630 A635 Y636 F652V628-R632 VanDerWaalsContact O-CB 3.26Å; V628-R632 WeakPolarHBondContact O-CB 3.28Å; V628-R632 PolarHBondContact O-N 3Å; E629-R632 PolarHBondContact O-N 3.46Å; H630-R632 VanDerWaalsContact C-N 3.34Å; H630-R632 PolarHBondContact O-N 3.33Å; R632-A635 PolarHBondContact O-N 3.49Å; R632-Y636 HydrophobicContact CG-CD2 3.86Å; R632-Y636 HydrophobicContact CG-CE2 4.12Å; R632-Y636 WeakPolarHBondContact O-CD2 3.46Å; R632-Y636 PolarHBondContact O-N 3.48Å; R632-F652 HydrophobicContact CB-CE1 4.25Å; R632-F652 HydrophobicContact CB-CE2 4.25Å; R632-F652 HydrophobicContact CB-CZ 3.82Å; R632-F652 HydrophobicContact CG-CE1 4.31Å; R632-F652 HydrophobicContact CG-CZ 4.33Å
633Y89.9Confident88.1Confident97 Ų9764 Ų6438%0.3831%0.309SS..Hα-helixtrans-62.4-50.8179.1179.8-92.6000111.7P594 E629 H630 A635 Y636 H637 M638P594-Y633 HydrophobicContact CG-CD1 4.38Å; E629-Y633 WeakPolarHBondContact O-CB 3.4Å; E629-Y633 PolarHBondContact O-N 3.35Å; H630-Y633 PolarHBondContact O-N 3.12Å; Y633-A635 VanDerWaalsContact C-N 3.26Å; Y633-A635 PolarHBondContact O-N 2.82Å; Y633-Y636 PolarHBondContact O-N 3.08Å; Y633-H637 HydrophobicContact CD2-CB 3.92Å; Y633-H637 AromaticContact CD2-CD2 3.73Å; Y633-H637 HydrophobicContact CE2-CB 3.89Å; Y633-H637 HydrophobicContact CG-CB 4.4Å; Y633-H637 WeakPolarHBondContact O-CB 3.19Å; Y633-H637 PolarHBondContact O-N 3.08Å; Y633-M638 HydrophobicContact CE1-CE 4.2Å; Y633-M638 HydrophobicContact CE1-CG 4.05Å
634V89.7Confident88.1Confident0 Ų064 Ų640%031%0.309CS..Hα-helixtrans-64.6-31.2177.7179.70000111.8I591 P594 V597 L623 H630 K642 T644I591-V634 HydrophobicContact CD1-CG1 4.29Å; P594-V634 HydrophobicContact CG-CG2 3.79Å; V597-V634 HydrophobicContact CG2-CG2 4.05Å; L623-V634 HydrophobicContact CD1-CG1 3.75Å; H630-V634 WeakPolarHBondContact O-CG2 3.37Å; H630-V634 PolarHBondContact O-N 3.35Å; V634-K642 HydrophobicContact CG1-CD 4.21Å; V634-T644 HydrophobicContact CB-CG2 3.87Å; V634-T644 HydrophobicContact CG1-CG2 3.62Å
635A88.5Confident88.1Confident2 Ų263.9 Ų63.92%0.01731%0.308CS..Hα-helixtrans-68.1-40.4178.800000113.8A631 R632 Y633 R641 K642 T644 F652A631-A635 VanDerWaalsContact O-CB 3.28Å; A631-A635 WeakPolarHBondContact O-CB 3.49Å; A631-A635 PolarHBondContact O-N 2.84Å; R632-A635 PolarHBondContact O-N 3.49Å; Y633-A635 VanDerWaalsContact C-N 3.26Å; Y633-A635 PolarHBondContact O-N 2.82Å; A635-R641 WeakPolarHBondContact O-CA 3.48Å; A635-K642 PolarHBondContact O-N 2.89Å; A635-T644 HydrophobicContact CB-CG2 4.24Å; A635-T644 WeakPolarHBondContact CB-OG1 3.38Å; A635-F652 HydrophobicContact CB-CB 3.72Å; A635-F652 HydrophobicContact CB-CD1 4.47Å; A635-F652 HydrophobicContact CB-CG 4.03Å
636Y87.1Confident88.1Confident78 Ų7863.8 Ų63.831%0.30631%0.307SS..Hα-helixtrans-117.1-24.3-167.2-62.5-63.6000115.3R632 Y633 F652R632-Y636 HydrophobicContact CG-CD2 3.86Å; R632-Y636 HydrophobicContact CG-CE2 4.12Å; R632-Y636 WeakPolarHBondContact O-CD2 3.46Å; R632-Y636 PolarHBondContact O-N 3.48Å; Y633-Y636 PolarHBondContact O-N 3.08Å; Y636-F652 AromaticContact CE2-CD1 3.7Å; Y636-F652 HydrophobicContact CE2-CD1 3.7Å; Y636-F652 AromaticContact CE2-CE1 3.99Å; Y636-F652 HydrophobicContact CE2-CE1 3.99Å
637H82.9Confident88.1Confident132 Ų13261.9 Ų61.961%0.61130%0.299SS*.THydrogen-bonded Turntrans-105.5-15.4-171.1-66-60.7000114.6Y633 G639Y633-H637 HydrophobicContact CD2-CB 3.92Å; Y633-H637 AromaticContact CD2-CD2 3.73Å; Y633-H637 HydrophobicContact CE2-CB 3.89Å; Y633-H637 HydrophobicContact CG-CB 4.4Å; Y633-H637 WeakPolarHBondContact O-CB 3.19Å; Y633-H637 PolarHBondContact O-N 3.08Å; H637-G639 PolarHBondContact O-N 3.34Å
638M78.6Confident87.9Confident57 Ų5765.7 Ų65.728%0.28131%0.314SS..SBendtrans-98.955.1-178.7-76.4-149.9148.300113.8I591 D593 Y633 K642I591-M638 HydrophobicContact CG2-SD 3.88Å; D593-M638 WeakPolarHBondContact O-CE 3.41Å; Y633-M638 HydrophobicContact CE1-CE 4.2Å; Y633-M638 HydrophobicContact CE1-CG 4.05Å; M638-K642 WeakPolarHBondContact O-CE 3.31Å; M638-K642 PolarHBondContact O-NZ 3.33Å
639G78.5Confident87.6Confident65 Ų6563.6 Ų63.667%0.6730%0.301SS*.SBendtrans83.1-127.9177.100000113H637H637-G639 PolarHBondContact O-N 3.34Å
640D82.4Confident87.6Confident146 Ų14657.4 Ų57.478%0.78127%0.274SS*.SBendtrans-60.7146.4177-68.3-28.7000111.6K642D640-K642 PolarHBondContact O-N 3.03Å; D640-K642 VanDerWaalsContact O-N 3.08Å
641R85.9Confident87.6Confident142 Ų14255.4 Ų55.454%0.53627%0.265SS..PPolyproline II helixtrans-58117.1178.6-70.6-176.1-177177.41.4110.8A635 R654A635-R641 WeakPolarHBondContact O-CA 3.48Å; R641-R654 WeakPolarHBondContact CD-O 3.39Å; R641-R654 WeakPolarHBondContact O-CG 3.48Å
642K89.4Confident87.7Confident36 Ų3655.8 Ų55.816%0.15727%0.266CS..PPolyproline II helixtrans-97152.4178.7-73.3159.6-178.6164.90110.8L588 I591 L623 V634 A635 M638 D640 T644L588-K642 HydrophobicContact CD2-CD 4.05Å; L588-K642 HydrophobicContact CD2-CG 4.35Å; I591-K642 HydrophobicContact CD1-CD 4.38Å; L623-K642 HydrophobicContact CD1-CB 4.49Å; L623-K642 HydrophobicContact CD1-CD 4.31Å; V634-K642 HydrophobicContact CG1-CD 4.21Å; A635-K642 PolarHBondContact O-N 2.89Å; M638-K642 WeakPolarHBondContact O-CE 3.31Å; M638-K642 PolarHBondContact O-NZ 3.33Å; D640-K642 PolarHBondContact O-N 3.03Å; D640-K642 VanDerWaalsContact O-N 3.08Å; K642-T644 HydrophobicContact CB-CG2 4.1Å
643K91.1Very high87.6Confident44 Ų4451.8 Ų51.819%0.19125%0.254CS..EExtended strand (participates in β ladder)trans-85.2112.4172.1-179.4-179.3172.5-165.10107.2C619 A622 L623 L651 F652 R654C619-K643 PolarHBondContact O-NZ 3.28Å; C619-K643 VanDerWaalsContact O-NZ 3.12Å; A622-K643 CarbonylContact C-O 3.43Å; A622-K643 WeakPolarHBondContact CA-O 3.35Å; A622-K643 HydrophobicContact CB-CD 3.89Å; A622-K643 HydrophobicContact CB-CG 4.08Å; L623-K643 PolarHBondContact N-O 3.3Å; K643-L651 HydrophobicContact CG-CD1 4.08Å; K643-F652 CarbonylContact C-O 3.58Å; K643-F652 VanDerWaalsContact CA-O 3.29Å; K643-F652 WeakPolarHBondContact CA-O 3.34Å; K643-R654 HydrophobicContact CB-CG 4.16Å
644T92.7Very high87.5Confident0 Ų053.3 Ų53.30%026%0.26CS..EExtended strand (participates in β ladder)trans-129.5147.7-175.465.50000110.8L623 A631 V634 A635 K642 L651 F652L623-T644 HydrophobicContact CB-CG2 4.26Å; L623-T644 HydrophobicContact CD1-CG2 4.45Å; L623-T644 CarbonylContact O-C 3.55Å; L623-T644 VanDerWaalsContact O-CA 3.27Å; L623-T644 WeakPolarHBondContact O-CA 3.48Å; A631-T644 PolarHBondContact O-OG1 3.24Å; V634-T644 HydrophobicContact CB-CG2 3.87Å; V634-T644 HydrophobicContact CG1-CG2 3.62Å; A635-T644 HydrophobicContact CB-CG2 4.24Å; A635-T644 WeakPolarHBondContact CB-OG1 3.38Å; K642-T644 HydrophobicContact CB-CG2 4.1Å; T644-L651 CarbonylContact O-C 3.49Å; T644-L651 WeakPolarHBondContact O-CA 3.29Å; T644-F652 PolarHBondContact N-O 2.97Å; T644-F652 PolarHBondContact O-N 3.45Å
645V92.8Very high87.3Confident0 Ų057 Ų570%029%0.285CS..EExtended strand (participates in β ladder)trans-131.6136.2177.668.50000110A536 K539 V540 V600 L623 V624 C625 T650 L651A536-V645 HydrophobicContact CB-CG1 4.02Å; A536-V645 HydrophobicContact CB-CG2 4.31Å; K539-V645 HydrophobicContact CB-CG2 4.07Å; K539-V645 HydrophobicContact CG-CG2 4.23Å; V540-V645 HydrophobicContact CG2-CB 3.96Å; V540-V645 HydrophobicContact CG2-CG1 3.61Å; V540-V645 HydrophobicContact CG2-CG2 4.26Å; V600-V645 HydrophobicContact CG2-CG1 4.18Å; L623-V645 WeakPolarHBondContact O-CG1 3.34Å; L623-V645 PolarHBondContact O-N 2.83Å; V624-V645 CarbonylContact C-O 3.48Å; V624-V645 WeakPolarHBondContact CA-O 3.4Å; V624-V645 HydrophobicContact CB-CG1 4.01Å; V624-V645 HydrophobicContact CG2-CG1 4.17Å; C625-V645 PolarHBondContact N-O 2.97Å; V645-T650 CarbonylContact C-O 3.41Å; V645-T650 VanDerWaalsContact CA-O 3.31Å; V645-T650 WeakPolarHBondContact CA-O 3.36Å; V645-L651 HydrophobicContact CB-CD1 4.03Å; V645-L651 HydrophobicContact CG2-CB 4.24Å; V645-L651 HydrophobicContact CG2-CD1 4.44Å
646S92.1Very high87Confident0 Ų058.2 Ų58.20%030%0.298CS..EExtended strand (participates in β ladder)trans-79.9161.5169.869.10000111.4C625 E648 G649 T650C625-S646 CarbonylContact O-C 3.54Å; C625-S646 WeakPolarHBondContact O-CA 3.43Å; S646-E648 PolarHBondContact O-N 2.87Å; S646-E648 VanDerWaalsContact O-N 3.16Å; S646-E648 PolarHBondContact OG-N 3.46Å; S646-G649 PolarHBondContact O-N 3.49Å; S646-G649 PolarHBondContact OG-N 3.35Å; S646-T650 PolarHBondContact N-O 3.44Å; S646-T650 WeakPolarHBondContact OG-CB 3.41Å; S646-T650 PolarHBondContact OG-N 3.03Å; S646-T650 VanDerWaalsContact OG-N 3.09Å
647L89.8Confident87Confident39 Ų3958.2 Ų58.220%0.20431%0.306CS..THydrogen-bonded Turntrans-57.1-27.9170.5-68.7177.1000112.9Y533 V624 C625 E626 G649Y533-L647 HydrophobicContact CD1-CD2 3.67Å; Y533-L647 HydrophobicContact CE1-CD2 4.02Å; V624-L647 HydrophobicContact CG2-CD2 4Å; C625-L647 PolarHBondContact O-N 2.85Å; E626-L647 HydrophobicContact CB-CD1 4.47Å; E626-L647 HydrophobicContact CG-CD1 4.06Å; L647-G649 PolarHBondContact O-N 3.37Å
648E84.6Confident87.2Confident132 Ų13256.6 Ų56.662%0.61730%0.301SS*.THydrogen-bonded Turntrans-76.3-5.3176-59.6-170150.700114.1V628 S646V628-E648 WeakPolarHBondContact CG2-OE2 3.3Å; S646-E648 PolarHBondContact O-N 2.87Å; S646-E648 VanDerWaalsContact O-N 3.16Å; S646-E648 PolarHBondContact OG-N 3.46Å
649G84.3Confident87.4Confident1 Ų155.3 Ų55.31%0.0130%0.297CS..  trans86.319.417800000114.7K539 S646 L647 L651K539-G649 WeakPolarHBondContact CD-O 3.5Å; K539-G649 VanDerWaalsContact CE-O 3.25Å; K539-G649 WeakPolarHBondContact CE-O 3.46Å; K539-G649 WeakPolarHBondContact CG-O 3.34Å; S646-G649 PolarHBondContact O-N 3.49Å; S646-G649 PolarHBondContact OG-N 3.35Å; L647-G649 PolarHBondContact O-N 3.37Å; G649-L651 PolarHBondContact O-N 2.87Å
650T89.9Confident87.2Confident26 Ų2654.3 Ų54.316%0.1629%0.288CS..  trans-81.1110.8168.8-56.70000108.7V628 V645 S646 F652 I658V628-T650 HydrophobicContact CG1-CG2 4.15Å; V645-T650 CarbonylContact C-O 3.41Å; V645-T650 VanDerWaalsContact CA-O 3.31Å; V645-T650 WeakPolarHBondContact CA-O 3.36Å; S646-T650 PolarHBondContact N-O 3.44Å; S646-T650 WeakPolarHBondContact OG-CB 3.41Å; S646-T650 PolarHBondContact OG-N 3.03Å; S646-T650 VanDerWaalsContact OG-N 3.09Å; T650-F652 HydrophobicContact CG2-CE2 3.79Å; T650-F652 HydrophobicContact CG2-CZ 3.9Å; T650-I658 HydrophobicContact CG2-CG2 4.23Å
651L90.5Very high86.7Confident9 Ų949.6 Ų49.65%0.04727%0.273CS..EExtended strand (participates in β ladder)trans-104.1123.5-177.6172.476.9000110.5K539 V540 K643 T644 V645 G649 Q653 I658 S659K539-L651 HydrophobicContact CD-CB 4.47Å; K539-L651 HydrophobicContact CG-CB 3.64Å; K539-L651 HydrophobicContact CG-CD2 4.27Å; K539-L651 HydrophobicContact CG-CG 4.49Å; V540-L651 HydrophobicContact CG2-CD1 4.31Å; K643-L651 HydrophobicContact CG-CD1 4.08Å; T644-L651 CarbonylContact O-C 3.49Å; T644-L651 WeakPolarHBondContact O-CA 3.29Å; V645-L651 HydrophobicContact CB-CD1 4.03Å; V645-L651 HydrophobicContact CG2-CB 4.24Å; V645-L651 HydrophobicContact CG2-CD1 4.44Å; G649-L651 PolarHBondContact O-N 2.87Å; L651-Q653 HydrophobicContact CD2-CG 4.2Å; L651-Q653 HydrophobicContact CG-CG 4.33Å; L651-I658 WeakPolarHBondContact O-CA 3.49Å; L651-S659 WeakPolarHBondContact CB-OG 3.32Å; L651-S659 PolarHBondContact N-O 3.48Å; L651-S659 PolarHBondContact O-N 2.95Å; L651-S659 PolarHBondContact O-OG 3.29Å
652F91.3Very high85.7Confident8 Ų845.2 Ų45.24%0.03527%0.267CS..EExtended strand (participates in β ladder)trans-99.1118.1169.3-58.5-91.7000108.8V628 A631 R632 A635 Y636 K643 T644 T650 I658V628-F652 HydrophobicContact CG1-CE2 4.46Å; V628-F652 HydrophobicContact CG1-CZ 4.26Å; A631-F652 HydrophobicContact CB-CD2 3.99Å; A631-F652 HydrophobicContact CB-CE2 3.82Å; R632-F652 HydrophobicContact CB-CE1 4.25Å; R632-F652 HydrophobicContact CB-CE2 4.25Å; R632-F652 HydrophobicContact CB-CZ 3.82Å; R632-F652 HydrophobicContact CG-CE1 4.31Å; R632-F652 HydrophobicContact CG-CZ 4.33Å; A635-F652 HydrophobicContact CB-CB 3.72Å; A635-F652 HydrophobicContact CB-CD1 4.47Å; A635-F652 HydrophobicContact CB-CG 4.03Å; Y636-F652 AromaticContact CE2-CD1 3.7Å; Y636-F652 HydrophobicContact CE2-CD1 3.7Å; Y636-F652 AromaticContact CE2-CE1 3.99Å; Y636-F652 HydrophobicContact CE2-CE1 3.99Å; K643-F652 CarbonylContact C-O 3.58Å; K643-F652 VanDerWaalsContact CA-O 3.29Å; K643-F652 WeakPolarHBondContact CA-O 3.34Å; T644-F652 PolarHBondContact N-O 2.97Å; T644-F652 PolarHBondContact O-N 3.45Å; T650-F652 HydrophobicContact CG2-CE2 3.79Å; T650-F652 HydrophobicContact CG2-CZ 3.9Å; F652-I658 HydrophobicContact CD1-CD1 4.12Å; F652-I658 HydrophobicContact CD1-CG1 3.82Å; F652-I658 HydrophobicContact CD1-CG2 4.15Å; F652-I658 HydrophobicContact CE1-CD1 3.93Å; F652-I658 HydrophobicContact CE1-CG1 4.06Å; F652-I658 HydrophobicContact CE1-CG2 3.92Å; F652-I658 HydrophobicContact CZ-CG2 4.48Å
653Q88.7Confident84.7Confident73 Ų7347.8 Ų47.834%0.34129%0.29SS..  trans-90.4156.8176.5-63.7-170.8-11.500111.5L651 S655 G656 V657L651-Q653 HydrophobicContact CD2-CG 4.2Å; L651-Q653 HydrophobicContact CG-CG 4.33Å; Q653-S655 WeakPolarHBondContact CB-OG 3.5Å; Q653-S655 PolarHBondContact O-N 2.85Å; Q653-S655 PolarHBondContact OE1-OG 3.44Å; Q653-G656 PolarHBondContact O-N 2.94Å; Q653-V657 HydrophobicContact CB-CB 4.26Å; Q653-V657 HydrophobicContact CG-CB 4.37Å; Q653-V657 PolarHBondContact N-O 2.92Å
654R86.9Confident83.6Confident129 Ų12951.5 Ų51.549%0.48731%0.312SS..THydrogen-bonded Turntrans-57.9-30.6173.3-57.6-168175.3180-7.2112.9N621 R641 K643 G656N621-R654 PolarHBondContact ND2-NH2 3.18Å; R641-R654 WeakPolarHBondContact CD-O 3.39Å; R641-R654 WeakPolarHBondContact O-CG 3.48Å; K643-R654 HydrophobicContact CB-CG 4.16Å; R654-G656 PolarHBondContact O-N 3.24Å
655S85.7Confident82.6Confident78 Ų7852.1 Ų52.155%0.54532%0.315SS..THydrogen-bonded Turntrans-66.2-12.9175.854.90000113.9Q653 V657Q653-S655 WeakPolarHBondContact CB-OG 3.5Å; Q653-S655 PolarHBondContact O-N 2.85Å; Q653-S655 PolarHBondContact OE1-OG 3.44Å; S655-V657 WeakPolarHBondContact OG-CG2 3.42Å; S655-V657 PolarHBondContact OG-N 3.32Å
656G82Confident81.6Confident27 Ų2758.2 Ų58.228%0.27834%0.342SS..SBendtrans90.1-2.9-172.100000114Q653 R654 I658Q653-G656 PolarHBondContact O-N 2.94Å; R654-G656 PolarHBondContact O-N 3.24Å; G656-I658 PolarHBondContact O-N 3Å
657V86.4Confident80.5Confident78 Ų7860.9 Ų60.947%0.47336%0.364SS..  trans-67.9125.2173.5176.70000109.6Q653 S655Q653-V657 HydrophobicContact CB-CB 4.26Å; Q653-V657 HydrophobicContact CG-CB 4.37Å; Q653-V657 PolarHBondContact N-O 2.92Å; S655-V657 WeakPolarHBondContact OG-CG2 3.42Å; S655-V657 PolarHBondContact OG-N 3.32Å
658I88.2Confident79.6Confident98 Ų9865.9 Ų65.950%0.50338%0.38SS..EExtended strand (participates in β ladder)trans-105.2127173.4-52.5175.7000107.1T650 L651 F652 G656T650-I658 HydrophobicContact CG2-CG2 4.23Å; L651-I658 WeakPolarHBondContact O-CA 3.49Å; F652-I658 HydrophobicContact CD1-CD1 4.12Å; F652-I658 HydrophobicContact CD1-CG1 3.82Å; F652-I658 HydrophobicContact CD1-CG2 4.15Å; F652-I658 HydrophobicContact CE1-CD1 3.93Å; F652-I658 HydrophobicContact CE1-CG1 4.06Å; F652-I658 HydrophobicContact CE1-CG2 3.92Å; F652-I658 HydrophobicContact CZ-CG2 4.48Å; G656-I658 PolarHBondContact O-N 3Å
659S82.9Confident79Confident30 Ų3059.8 Ų59.821%0.2135%0.352CS..EExtended strand (participates in β ladder)trans-129.2118179.260.60000110.4K539 L651K539-S659 WeakPolarHBondContact CE-O 3.31Å; K539-S659 VanDerWaalsContact CE-OG 3.26Å; K539-S659 WeakPolarHBondContact CE-OG 3.43Å; L651-S659 WeakPolarHBondContact CB-OG 3.32Å; L651-S659 PolarHBondContact N-O 3.48Å; L651-S659 PolarHBondContact O-N 2.95Å; L651-S659 PolarHBondContact O-OG 3.29Å
660G73.9Confident78.4Confident45 Ų4566.1 Ų66.146%0.46438%0.376SS..  trans-113.8-163.7174.200000111.5K539K539-G660 PolarHBondContact NZ-O 3.14Å
661G71.6Confident77.4Confident46 Ų4667.3 Ų67.347%0.47438%0.377SS..  trans120.491.9176.600000111.7L665G661-L665 WeakPolarHBondContact O-CB 3.29Å
662A65.4Low76.4Confident51 Ų5168.3 Ų68.342%0.42138%0.38SS..Hα-helixtrans-80-28.9-173.500000113.8K666A662-K666 VanDerWaalsContact O-CB 3.27Å; A662-K666 WeakPolarHBondContact O-CB 3.3Å; A662-K666 WeakPolarHBondContact O-CG 3.35Å; A662-K666 PolarHBondContact O-N 3.34Å
663S67.6Low75.2Confident89 Ų8969.7 Ų69.762%0.62239%0.388SS*.Hα-helixtrans-69.5-59.2-175.551.10000112.2L665 K666 A667S663-L665 PolarHBondContact O-N 3.44Å; S663-K666 PolarHBondContact O-N 3.25Å; S663-A667 PolarHBondContact O-N 2.89Å; S663-A667 VanDerWaalsContact O-N 3.1Å
664D69.1Low73.9Confident123 Ų12369.2 Ų69.266%0.65839%0.386SS*.Hα-helixtrans-65.3-32.2-178.2-67.7-1.6000111.9A667 R668D664-A667 PolarHBondContact O-N 3.22Å; D664-R668 PolarHBondContact O-N 3.47Å
665L71.2Confident72.7Confident13 Ų1369.7 Ų69.77%0.06839%0.392CS..Hα-helixtrans-75.8-34.7-179.3-14389.2000112.2V535 T538 K539 G661 S663 A667 R668 A669V535-L665 HydrophobicContact CG1-CD2 3.69Å; V535-L665 VanDerWaalsContact O-CD2 3.31Å; V535-L665 WeakPolarHBondContact O-CD2 3.17Å; T538-L665 HydrophobicContact CG2-CG 4.47Å; K539-L665 HydrophobicContact CB-CD1 4.43Å; K539-L665 HydrophobicContact CB-CD2 3.71Å; K539-L665 HydrophobicContact CD-CD1 3.5Å; K539-L665 VanDerWaalsContact CD-CD1 3.5Å; K539-L665 HydrophobicContact CD-CD2 3.82Å; K539-L665 HydrophobicContact CD-CG 4.33Å; K539-L665 HydrophobicContact CG-CD2 4.24Å; G661-L665 WeakPolarHBondContact O-CB 3.29Å; S663-L665 PolarHBondContact O-N 3.44Å; L665-A667 VanDerWaalsContact C-N 3.34Å; L665-R668 PolarHBondContact O-N 2.91Å; L665-A669 WeakPolarHBondContact O-CB 3.25Å; L665-A669 PolarHBondContact O-N 3.12Å
666K72.3Confident71.7Confident128 Ų12871.9 Ų71.956%0.55739%0.393SS*.Hα-helixtrans-64.3-40.4169-80.5175.9-178.5-179.70110.9A662 S663 A669 R670A662-K666 VanDerWaalsContact O-CB 3.27Å; A662-K666 WeakPolarHBondContact O-CB 3.3Å; A662-K666 WeakPolarHBondContact O-CG 3.35Å; A662-K666 PolarHBondContact O-N 3.34Å; S663-K666 PolarHBondContact O-N 3.25Å; K666-A669 PolarHBondContact O-N 3.16Å; K666-R670 WeakPolarHBondContact O-CG 3.38Å; K666-R670 PolarHBondContact O-N 3.39Å; K666-R670 VanDerWaalsContact O-N 3.16Å
667A69.4Low70.9Confident56 Ų5672 Ų7246%0.46339%0.387SS..Hα-helixtrans-61.9-46.9174.500000111.7S663 D664 L665 A669 R670S663-A667 PolarHBondContact O-N 2.89Å; S663-A667 VanDerWaalsContact O-N 3.1Å; D664-A667 PolarHBondContact O-N 3.22Å; L665-A667 VanDerWaalsContact C-N 3.34Å; A667-A669 VanDerWaalsContact C-N 3.34Å; A667-A669 PolarHBondContact O-N 2.79Å; A667-R670 WeakPolarHBondContact O-CB 3.46Å; A667-R670 PolarHBondContact O-N 3.4Å
668R70.9Confident69.9Low144 Ų14471.6 Ų71.654%0.54339%0.388SS..Hα-helixtrans-64.5-35.2174.6-76.4-176.1170.4176-0.6113.3T538 D664 L665 R670 R671T538-R668 HydrophobicContact CG2-CB 3.69Å; D664-R668 PolarHBondContact O-N 3.47Å; L665-R668 PolarHBondContact O-N 2.91Å; R668-R670 VanDerWaalsContact C-N 3.25Å; R668-R670 PolarHBondContact O-N 2.93Å; R668-R671 VanDerWaalsContact O-CB 3.27Å; R668-R671 WeakPolarHBondContact O-CB 3.38Å; R668-R671 WeakPolarHBondContact O-CG 3.44Å; R668-R671 PolarHBondContact O-N 3.44Å; R668-R671 VanDerWaalsContact O-N 3.13Å
669A70.7Confident69Low4 Ų470.3 Ų70.33%0.03339%0.388CS..Hα-helixtrans-68.9-20.7177.200000113.1Q534 V535 L665 K666 A667 R671 W672Q534-A669 HydrophobicContact CB-CB 4.28Å; V535-A669 HydrophobicContact CG2-CB 4.19Å; L665-A669 WeakPolarHBondContact O-CB 3.25Å; L665-A669 PolarHBondContact O-N 3.12Å; K666-A669 PolarHBondContact O-N 3.16Å; A667-A669 VanDerWaalsContact C-N 3.34Å; A667-A669 PolarHBondContact O-N 2.79Å; A669-R671 PolarHBondContact O-N 3Å; A669-W672 PolarHBondContact O-N 3.19Å
670R71.1Confident68.6Low134 Ų13470.6 Ų70.651%0.50639%0.386SS..G310 helixtrans-69.5-15.3171-69.7178.9-173.6-168.15.6113.1E494 K666 A667 R668 W672 D673E494-R670 IonicContact OE1-CZ 3.81Å; E494-R670 IonicContact OE1-NH1 3.76Å; E494-R670 PolarHBondContact OE1-NH1 2.64Å; E494-R670 WeakPolarHBondContact OE2-CD 3.4Å; E494-R670 IonicContact OE2-CZ 2.88Å; E494-R670 IonicContact OE2-NE 3.32Å; E494-R670 IonicContact OE2-NH1 3.85Å; E494-R670 PolarHBondContact OE2-NH1 3.24Å; K666-R670 WeakPolarHBondContact O-CG 3.38Å; K666-R670 PolarHBondContact O-N 3.39Å; K666-R670 VanDerWaalsContact O-N 3.16Å; A667-R670 WeakPolarHBondContact O-CB 3.46Å; A667-R670 PolarHBondContact O-N 3.4Å; R668-R670 VanDerWaalsContact C-N 3.25Å; R668-R670 PolarHBondContact O-N 2.93Å; R670-W672 PolarHBondContact O-N 2.71Å; R670-D673 WeakPolarHBondContact O-CB 3.27Å; R670-D673 PolarHBondContact O-N 3.46Å
671R69Low68.5Low50 Ų5071.4 Ų71.419%0.18938%0.379CS..G310 helixtrans-65.5-20.8175.2-64-176.361-159.4-11.3113.3L523 D546 R668 A669 D673 E674L523-R671 HydrophobicContact CD2-CB 4.37Å; D546-R671 VanDerWaalsContact CG-NH1 3.32Å; D546-R671 IonicContact OD1-CZ 3.07Å; D546-R671 VanDerWaalsContact OD1-CZ 3.31Å; D546-R671 IonicContact OD1-NH1 3.63Å; D546-R671 PolarHBondContact OD1-NH1 2.94Å; D546-R671 VanDerWaalsContact OD1-NH1 3.08Å; D546-R671 IonicContact OD1-NH2 4Å; D546-R671 PolarHBondContact OD1-NH2 3.45Å; D546-R671 IonicContact OD2-CZ 3.78Å; D546-R671 IonicContact OD2-NH1 3.19Å; D546-R671 PolarHBondContact OD2-NH1 3.22Å; D546-R671 IonicContact OD2-NH2 2.67Å; R668-R671 VanDerWaalsContact O-CB 3.27Å; R668-R671 WeakPolarHBondContact O-CB 3.38Å; R668-R671 WeakPolarHBondContact O-CG 3.44Å; R668-R671 PolarHBondContact O-N 3.44Å; R668-R671 VanDerWaalsContact O-N 3.13Å; A669-R671 PolarHBondContact O-N 3Å; R671-D673 PolarHBondContact O-N 2.86Å; R671-E674 IonicContact CZ-OE1 3.64Å; R671-E674 IonicContact NE-OE1 3.01Å; R671-E674 PolarHBondContact NE-OE1 2.8Å; R671-E674 IonicContact NH2-OE1 3.97Å; R671-E674 VanDerWaalsContact O-CB 3.31Å; R671-E674 WeakPolarHBondContact O-CB 3.36Å; R671-E674 WeakPolarHBondContact O-CG 3.38Å; R671-E674 PolarHBondContact O-N 3.05Å; R671-E674 VanDerWaalsContact O-N 3.14Å
672W70.9Confident68.7Low30 Ų3073.1 Ų73.111%0.11438%0.384CS..G310 helixtrans-63.8-20169.6-63.6108.5000112.6L523 C526 P528 Q534 I537 T538 L541 A669 R670L523-W672 HydrophobicContact CD1-CD2 3.82Å; L523-W672 HydrophobicContact CD1-CE3 3.56Å; L523-W672 HydrophobicContact CD1-CH2 3.82Å; L523-W672 HydrophobicContact CD1-CZ2 4.05Å; L523-W672 HydrophobicContact CD1-CZ3 3.55Å; C526-W672 VanDerWaalsContact O-CZ3 3.3Å; C526-W672 WeakPolarHBondContact O-CZ3 3.44Å; P528-W672 VanDerWaalsContact CD-CE3 3.47Å; P528-W672 HydrophobicContact CG-CD2 3.95Å; P528-W672 HydrophobicContact CG-CE3 4.25Å; P528-W672 HydrophobicContact CG-CG 4.36Å; P528-W672 HydrophobicContact CG-CZ2 4.27Å; Q534-W672 HydrophobicContact CG-CB 4.42Å; Q534-W672 HydrophobicContact CG-CG 4.27Å; I537-W672 HydrophobicContact CG2-CH2 4.49Å; I537-W672 HydrophobicContact CG2-CZ2 3.94Å; T538-W672 PolarHBondContact OG1-NE1 2.88Å; L541-W672 HydrophobicContact CD1-CH2 4.11Å; L541-W672 HydrophobicContact CD1-CZ2 4.09Å; A669-W672 PolarHBondContact O-N 3.19Å; R670-W672 PolarHBondContact O-N 2.71Å
673D66.6Low69.4Low37 Ų3775.9 Ų75.920%0.19839%0.386CS..G310 helixtrans-88.42.9177-57-31.1000112.6R670 R671 K675 Q676 I677R670-D673 WeakPolarHBondContact O-CB 3.27Å; R670-D673 PolarHBondContact O-N 3.46Å; R671-D673 PolarHBondContact O-N 2.86Å; D673-K675 PolarHBondContact O-N 2.82Å; D673-K675 VanDerWaalsContact O-N 3.13Å; D673-Q676 WeakPolarHBondContact O-CB 3.47Å; D673-Q676 PolarHBondContact O-N 3.28Å; D673-I677 PolarHBondContact O-N 3.14Å
674E61Low70.1Confident64 Ų6474.1 Ų74.130%0.29937%0.366SS..Hα-helixtrans-54.8-32.2179-84.6177.1-163.800112.9R671 Q676 I677 S678R671-E674 IonicContact CZ-OE1 3.64Å; R671-E674 IonicContact NE-OE1 3.01Å; R671-E674 PolarHBondContact NE-OE1 2.8Å; R671-E674 IonicContact NH2-OE1 3.97Å; R671-E674 VanDerWaalsContact O-CB 3.31Å; R671-E674 WeakPolarHBondContact O-CB 3.36Å; R671-E674 WeakPolarHBondContact O-CG 3.38Å; R671-E674 PolarHBondContact O-N 3.05Å; R671-E674 VanDerWaalsContact O-N 3.14Å; E674-Q676 VanDerWaalsContact C-N 3.31Å; E674-Q676 PolarHBondContact O-N 2.93Å; E674-I677 PolarHBondContact O-N 3.44Å; E674-S678 PolarHBondContact O-N 3.48Å; E674-S678 VanDerWaalsContact O-N 3.15Å
675K61.6Low70.6Confident139 Ų13971.1 Ų71.160%0.60435%0.35SS*.Hα-helixtrans-60.4-37.4173.9-74.5-174.6-1801760112.1D673 S678 S679D673-K675 PolarHBondContact O-N 2.82Å; D673-K675 VanDerWaalsContact O-N 3.13Å; K675-S678 PolarHBondContact O-N 3.34Å; K675-S678 PolarHBondContact O-OG 3.4Å; K675-S679 PolarHBondContact O-N 2.89Å
676Q63.8Low71.2Confident123 Ų12373.3 Ų73.358%0.57537%0.37SS*.Hα-helixtrans-67.1-38.9177.3-65.4-178.4-3.400111.4D673 E674 S678 S679 L680D673-Q676 WeakPolarHBondContact O-CB 3.47Å; D673-Q676 PolarHBondContact O-N 3.28Å; E674-Q676 VanDerWaalsContact C-N 3.31Å; E674-Q676 PolarHBondContact O-N 2.93Å; Q676-S678 PolarHBondContact O-N 3.33Å; Q676-S679 PolarHBondContact O-N 3.42Å; Q676-S679 PolarHBondContact O-OG 3.33Å; Q676-L680 WeakPolarHBondContact O-CG 3.31Å; Q676-L680 PolarHBondContact O-N 2.96Å; Q676-L680 VanDerWaalsContact O-N 3.09Å
677I65.9Low71.9Confident29 Ų2967.6 Ų67.615%0.14935%0.345CS..Hα-helixtrans-65.8-40.3179.1-57.7175.1000111.4L488 A491 R495 D673 E674 S679 L680 M681L488-I677 HydrophobicContact CD2-CG2 4.36Å; A491-I677 HydrophobicContact CB-CD1 4.44Å; A491-I677 HydrophobicContact CB-CG1 4.33Å; R495-I677 VanDerWaalsContact NH2-CG2 3.35Å; D673-I677 PolarHBondContact O-N 3.14Å; E674-I677 PolarHBondContact O-N 3.44Å; I677-S679 VanDerWaalsContact C-N 3.3Å; I677-S679 PolarHBondContact O-N 3.36Å; I677-L680 PolarHBondContact O-N 3.44Å; I677-M681 HydrophobicContact CG2-SD 4.48Å; I677-M681 WeakPolarHBondContact O-CG 3.15Å; I677-M681 PolarHBondContact O-N 3.48Å
678S64.8Low72.6Confident71 Ų7168.8 Ų68.850%0.49734%0.341SS..Hα-helixtrans-60.8-40.1175.574.40000112.1E674 K675 Q676 L680 M681 S682E674-S678 PolarHBondContact O-N 3.48Å; E674-S678 VanDerWaalsContact O-N 3.15Å; K675-S678 PolarHBondContact O-N 3.34Å; K675-S678 PolarHBondContact O-OG 3.4Å; Q676-S678 PolarHBondContact O-N 3.33Å; S678-L680 PolarHBondContact O-N 2.83Å; S678-M681 PolarHBondContact O-N 2.87Å; S678-S682 PolarHBondContact O-N 3.12Å
679S70.5Confident73.2Confident71 Ų7166.4 Ų66.450%0.49734%0.339SS..Hα-helixtrans-65.7-38.4177.275.90000112.6K675 Q676 I677 S682 K683K675-S679 PolarHBondContact O-N 2.89Å; Q676-S679 PolarHBondContact O-N 3.42Å; Q676-S679 PolarHBondContact O-OG 3.33Å; I677-S679 VanDerWaalsContact C-N 3.3Å; I677-S679 PolarHBondContact O-N 3.36Å; S679-S682 PolarHBondContact O-N 3.11Å; S679-K683 PolarHBondContact O-N 3.16Å
680L73.3Confident74.1Confident35 Ų3568.9 Ų68.918%0.18335%0.35CS..Hα-helixtrans-68.2-37.9175.6-70.4173000112.2Q487 L488 Q676 I677 S678 K683 R684Q487-L680 HydrophobicContact CB-CD1 4.31Å; L488-L680 HydrophobicContact CD2-CB 3.65Å; L488-L680 HydrophobicContact CG-CB 4.03Å; Q676-L680 WeakPolarHBondContact O-CG 3.31Å; Q676-L680 PolarHBondContact O-N 2.96Å; Q676-L680 VanDerWaalsContact O-N 3.09Å; I677-L680 PolarHBondContact O-N 3.44Å; S678-L680 PolarHBondContact O-N 2.83Å; L680-K683 PolarHBondContact O-N 3.3Å; L680-R684 PolarHBondContact O-N 2.85Å
681M72.1Confident74.8Confident62 Ų6264.1 Ų64.131%0.30533%0.334SS..Hα-helixtrans-64.2-44174.8-73.2-177.261.900111.7L488 I677 S678 K683 R684 D685L488-M681 HydrophobicContact CD2-CG 3.89Å; I677-M681 HydrophobicContact CG2-SD 4.48Å; I677-M681 WeakPolarHBondContact O-CG 3.15Å; I677-M681 PolarHBondContact O-N 3.48Å; S678-M681 PolarHBondContact O-N 2.87Å; M681-K683 VanDerWaalsContact C-N 3.3Å; M681-K683 PolarHBondContact O-N 3.46Å; M681-R684 WeakPolarHBondContact O-CB 3.36Å; M681-R684 PolarHBondContact O-N 3.37Å; M681-D685 PolarHBondContact O-N 3.45Å
682S75.8Confident75.6Confident83 Ų8368.1 Ų68.158%0.5835%0.353SS*.Hα-helixtrans-61.6-38.7174.6-171.50000111.9S678 S679 D685 A686S678-S682 PolarHBondContact O-N 3.12Å; S679-S682 PolarHBondContact O-N 3.11Å; S682-D685 PolarHBondContact O-N 2.9Å; S682-A686 WeakPolarHBondContact O-CB 3.49Å; S682-A686 PolarHBondContact O-N 3.38Å
683K79Confident76.3Confident108 Ų10872.3 Ų72.347%0.4737%0.374SS..Hα-helixtrans-64.5-42.6175.9-169.3174.9-179.2-177.40111.9V484 S679 L680 M681 D685 A686 L687V484-K683 HydrophobicContact CG2-CD 3.97Å; V484-K683 HydrophobicContact CG2-CG 4.28Å; S679-K683 PolarHBondContact O-N 3.16Å; L680-K683 PolarHBondContact O-N 3.3Å; M681-K683 VanDerWaalsContact C-N 3.3Å; M681-K683 PolarHBondContact O-N 3.46Å; K683-D685 PolarHBondContact O-N 3.28Å; K683-A686 PolarHBondContact O-N 3.17Å; K683-L687 HydrophobicContact CG-CD1 4.37Å; K683-L687 WeakPolarHBondContact O-CG 3.01Å; K683-L687 PolarHBondContact O-N 3.27Å
684R83.1Confident77.3Confident52 Ų5271.1 Ų71.120%0.19637%0.367CS..Hα-helixtrans-57.9-48.4174178.5-148.764.3-167.9-9.2111.5V484 L488 L680 M681 A686 L687 Q688V484-R684 HydrophobicContact CG1-CB 3.97Å; L488-R684 HydrophobicContact CD1-CB 4.01Å; L488-R684 HydrophobicContact CD1-CG 4.41Å; L680-R684 PolarHBondContact O-N 2.85Å; M681-R684 WeakPolarHBondContact O-CB 3.36Å; M681-R684 PolarHBondContact O-N 3.37Å; R684-A686 VanDerWaalsContact C-N 3.33Å; R684-A686 PolarHBondContact O-N 3.37Å; R684-L687 PolarHBondContact O-N 3.33Å; R684-Q688 HydrophobicContact CG-CG 4.47Å; R684-Q688 WeakPolarHBondContact O-CG 3.49Å; R684-Q688 PolarHBondContact O-N 3.38Å
685D79.4Confident78.3Confident61 Ų6172 Ų7233%0.32637%0.374SS..Hα-helixtrans-66.7-36-177-68.7-31.6000112.2M681 S682 K683 Q688 N689M681-D685 PolarHBondContact O-N 3.45Å; S682-D685 PolarHBondContact O-N 2.9Å; K683-D685 PolarHBondContact O-N 3.28Å; D685-Q688 PolarHBondContact O-N 3.17Å; D685-N689 PolarHBondContact O-N 3.02Å; D685-N689 PolarHBondContact O-ND2 2.98Å
686A84.4Confident79.4Confident58 Ų5872.4 Ų72.448%0.47938%0.375SS..Hα-helixtrans-61-49.117100000111.8S682 K683 R684 Q688 N689 E690S682-A686 WeakPolarHBondContact O-CB 3.49Å; S682-A686 PolarHBondContact O-N 3.38Å; K683-A686 PolarHBondContact O-N 3.17Å; R684-A686 VanDerWaalsContact C-N 3.33Å; R684-A686 PolarHBondContact O-N 3.37Å; A686-Q688 PolarHBondContact O-N 2.88Å; A686-N689 PolarHBondContact O-N 3.3Å; A686-E690 PolarHBondContact O-N 3.46Å
687L87.2Confident80.4Confident8 Ų871.4 Ų71.44%0.04237%0.367CS..Hα-helixtrans-63.1-38.7178-70.6171.1000112.6I477 E480 L481 V484 K683 R684 N689 E690 L691I477-L687 HydrophobicContact CG2-CB 4.3Å; I477-L687 HydrophobicContact CG2-CD2 4.35Å; E480-L687 HydrophobicContact CB-CD1 3.94Å; E480-L687 HydrophobicContact CB-CD2 4.26Å; E480-L687 WeakPolarHBondContact OE2-CD2 3.45Å; L481-L687 HydrophobicContact CD1-CB 3.93Å; L481-L687 HydrophobicContact CG-CB 4.41Å; V484-L687 HydrophobicContact CG2-CD1 4.1Å; K683-L687 HydrophobicContact CG-CD1 4.37Å; K683-L687 WeakPolarHBondContact O-CG 3.01Å; K683-L687 PolarHBondContact O-N 3.27Å; R684-L687 PolarHBondContact O-N 3.33Å; L687-N689 VanDerWaalsContact C-N 3.35Å; L687-N689 PolarHBondContact O-N 3.12Å; L687-E690 PolarHBondContact O-N 2.99Å; L687-L691 WeakPolarHBondContact O-CB 3.35Å; L687-L691 PolarHBondContact O-N 3.2Å
688Q83.1Confident81.4Confident82 Ų8273.4 Ų73.438%0.38337%0.374SS..Hα-helixtrans-65.8-36.3176.1-76.6-173.6-31.200112.8L481 R684 D685 A686 K692L481-Q688 HydrophobicContact CD1-CG 3.82Å; R684-Q688 HydrophobicContact CG-CG 4.47Å; R684-Q688 WeakPolarHBondContact O-CG 3.49Å; R684-Q688 PolarHBondContact O-N 3.38Å; D685-Q688 PolarHBondContact O-N 3.17Å; A686-Q688 PolarHBondContact O-N 2.88Å; Q688-K692 PolarHBondContact O-N 3.47Å
689N84.7Confident82.3Confident94 Ų9479.6 Ų79.650%0.50339%0.387SS..Hα-helixtrans-70.7-41.9174.6-74.1-25.8000111.3D685 A686 L687 L691 K692 E693D685-N689 PolarHBondContact O-N 3.02Å; D685-N689 PolarHBondContact O-ND2 2.98Å; A686-N689 PolarHBondContact O-N 3.3Å; L687-N689 VanDerWaalsContact C-N 3.35Å; L687-N689 PolarHBondContact O-N 3.12Å; N689-L691 VanDerWaalsContact C-N 3.33Å; N689-L691 PolarHBondContact O-N 3.47Å; N689-K692 WeakPolarHBondContact O-CB 3.41Å; N689-K692 PolarHBondContact O-N 3.35Å; N689-E693 PolarHBondContact O-N 2.89Å
690E88.3Confident83Confident56 Ų5679.2 Ų79.226%0.26238%0.376SS..Hα-helixtrans-60.2-42.7174.4-162.3-174163.400111.3R473 I477 A686 L687 K692 E693 Q694R473-E690 IonicContact CZ-OE1 2.74Å; R473-E690 IonicContact NE-OE1 2.78Å; R473-E690 PolarHBondContact NE-OE1 2.9Å; R473-E690 IonicContact NH2-OE1 3.06Å; R473-E690 PolarHBondContact NH2-OE1 3.46Å; R473-E690 VanDerWaalsContact NH2-OE1 3.12Å; R473-E690 IonicContact NH2-OE2 3.76Å; R473-E690 PolarHBondContact NH2-OE2 3.27Å; R473-E690 VanDerWaalsContact NH2-OE2 3.09Å; I477-E690 HydrophobicContact CD1-CB 3.97Å; I477-E690 HydrophobicContact CD1-CG 3.63Å; A686-E690 PolarHBondContact O-N 3.46Å; L687-E690 PolarHBondContact O-N 2.99Å; E690-K692 VanDerWaalsContact C-N 3.32Å; E690-K692 PolarHBondContact O-N 3.4Å; E690-E693 PolarHBondContact O-N 3.49Å; E690-E693 VanDerWaalsContact O-N 3.08Å; E690-Q694 WeakPolarHBondContact O-CG 3.49Å; E690-Q694 PolarHBondContact O-N 2.58Å
691L86.4Confident83.6Confident33 Ų3381 Ų8117%0.17338%0.383CS..Hα-helixtrans-57.2-42.9175.6-176.363.6000112.1I474 I477 L687 N689 E693 Q694 L695I474-L691 HydrophobicContact CB-CD1 4.44Å; I474-L691 HydrophobicContact CG1-CD1 4.19Å; I474-L691 HydrophobicContact CG2-CD1 4Å; I477-L691 HydrophobicContact CG2-CB 4Å; I477-L691 HydrophobicContact CG2-CD1 4.31Å; L687-L691 WeakPolarHBondContact O-CB 3.35Å; L687-L691 PolarHBondContact O-N 3.2Å; N689-L691 VanDerWaalsContact C-N 3.33Å; N689-L691 PolarHBondContact O-N 3.47Å; L691-E693 VanDerWaalsContact C-N 3.31Å; L691-E693 PolarHBondContact O-N 3.29Å; L691-Q694 PolarHBondContact O-N 3.29Å; L691-L695 HydrophobicContact CG-CD1 4.19Å; L691-L695 WeakPolarHBondContact O-CB 3.3Å; L691-L695 VanDerWaalsContact O-CG 3.29Å; L691-L695 WeakPolarHBondContact O-CG 3.45Å; L691-L695 PolarHBondContact O-N 2.88Å
692K85.5Confident84.1Confident135 Ų13581.1 Ų81.159%0.58739%0.394SS*.Hα-helixtrans-63.7-36.2176.8-74.3176.4-175.4169.50112Q688 N689 E690 K696Q688-K692 PolarHBondContact O-N 3.47Å; N689-K692 WeakPolarHBondContact O-CB 3.41Å; N689-K692 PolarHBondContact O-N 3.35Å; E690-K692 VanDerWaalsContact C-N 3.32Å; E690-K692 PolarHBondContact O-N 3.4Å; K692-K696 WeakPolarHBondContact O-CG 3.43Å; K692-K696 PolarHBondContact O-N 3.3Å
693E85.7Confident84.6Confident117 Ų11782.2 Ų82.255%0.54739%0.39SS..Hα-helixtrans-69.8-45175.8-69.2-170167.500112N689 E690 L691 L695 K696 R697N689-E693 PolarHBondContact O-N 2.89Å; E690-E693 PolarHBondContact O-N 3.49Å; E690-E693 VanDerWaalsContact O-N 3.08Å; L691-E693 VanDerWaalsContact C-N 3.31Å; L691-E693 PolarHBondContact O-N 3.29Å; E693-L695 VanDerWaalsContact C-N 3.33Å; E693-L695 PolarHBondContact O-N 3.32Å; E693-K696 WeakPolarHBondContact O-CB 3.4Å; E693-K696 PolarHBondContact O-N 2.68Å; E693-K696 VanDerWaalsContact O-N 3.11Å; E693-R697 PolarHBondContact O-N 2.61Å
694Q87.4Confident85.1Confident13 Ų1377.9 Ų77.96%0.06137%0.372CS..Hα-helixtrans-64.7-36.6177.3-61-61-16.500112.1R473 I474 I477 E690 L691 K696 R697 K698R473-Q694 HydrophobicContact CB-CG 4.41Å; R473-Q694 HydrophobicContact CG-CG 4.07Å; I474-Q694 HydrophobicContact CD1-CB 4.05Å; I474-Q694 HydrophobicContact CG1-CB 3.57Å; I477-Q694 HydrophobicContact CD1-CG 3.87Å; E690-Q694 WeakPolarHBondContact O-CG 3.49Å; E690-Q694 PolarHBondContact O-N 2.58Å; L691-Q694 PolarHBondContact O-N 3.29Å; Q694-K696 VanDerWaalsContact C-N 3.28Å; Q694-K696 PolarHBondContact O-N 3.44Å; Q694-R697 WeakPolarHBondContact O-CB 3.36Å; Q694-R697 PolarHBondContact O-N 2.71Å; Q694-R697 VanDerWaalsContact O-N 3.12Å; Q694-K698 PolarHBondContact O-N 3.37Å
695L82.5Confident85.2Confident83 Ų8383 Ų8344%0.43539%0.392SS..Hα-helixtrans-62.4-32.4173.2-76.7170000112.8I474 L691 E693 R699I474-L695 HydrophobicContact CD1-CD2 4.13Å; I474-L695 HydrophobicContact CD1-CG 4.45Å; L691-L695 HydrophobicContact CG-CD1 4.19Å; L691-L695 WeakPolarHBondContact O-CB 3.3Å; L691-L695 VanDerWaalsContact O-CG 3.29Å; L691-L695 WeakPolarHBondContact O-CG 3.45Å; L691-L695 PolarHBondContact O-N 2.88Å; E693-L695 VanDerWaalsContact C-N 3.33Å; E693-L695 PolarHBondContact O-N 3.32Å; L695-R699 PolarHBondContact O-N 2.67Å
696K85.4Confident85.6Confident146 Ų14683.9 Ų83.964%0.63540%0.399SS*.Hα-helixtrans-67.4-40.6172.5-71175.6-176.1175.90111.3K692 E693 Q694 R699K692-K696 WeakPolarHBondContact O-CG 3.43Å; K692-K696 PolarHBondContact O-N 3.3Å; E693-K696 WeakPolarHBondContact O-CB 3.4Å; E693-K696 PolarHBondContact O-N 2.68Å; E693-K696 VanDerWaalsContact O-N 3.11Å; Q694-K696 VanDerWaalsContact C-N 3.28Å; Q694-K696 PolarHBondContact O-N 3.44Å; K696-R699 WeakPolarHBondContact O-CB 3.2Å; K696-R699 PolarHBondContact O-N 3.43Å
697R84.8Confident85.7Confident103 Ų10382.2 Ų82.239%0.38938%0.382SS..Hα-helixtrans-63.6-42.4175-65.1-176.4-177.5-177.8-0111.6A470 E693 Q694 R699 K700A470-R697 HydrophobicContact CB-CB 3.85Å; E693-R697 PolarHBondContact O-N 2.61Å; Q694-R697 WeakPolarHBondContact O-CB 3.36Å; Q694-R697 PolarHBondContact O-N 2.71Å; Q694-R697 VanDerWaalsContact O-N 3.12Å; R697-R699 PolarHBondContact O-N 2.89Å; R697-K700 WeakPolarHBondContact O-CB 3.43Å; R697-K700 PolarHBondContact O-N 3.01Å; R697-K700 VanDerWaalsContact O-N 3.11Å
698K85.4Confident85.8Confident70 Ų7085.7 Ų85.730%0.30440%0.398SS..Hα-helixtrans-59.2-27.9176.2-169.8173.5-178.4172.80113.6I474 Q694 K700 E701I474-K698 HydrophobicContact CD1-CB 4.12Å; I474-K698 HydrophobicContact CD1-CD 3.8Å; Q694-K698 PolarHBondContact O-N 3.37Å; K698-K700 PolarHBondContact O-N 3.19Å; K698-K700 VanDerWaalsContact O-N 3.13Å; K698-E701 VanDerWaalsContact O-CB 3.32Å; K698-E701 WeakPolarHBondContact O-CB 3.3Å; K698-E701 PolarHBondContact O-N 3.26Å
699R83.4Confident86Confident202 Ų20285.8 Ų85.876%0.76241%0.408SS*.THydrogen-bonded Turntrans-61.1-20176.4-71.1176.1-179.6-172.1-1.8113.8L695 K696 R697 E701 A702L695-R699 PolarHBondContact O-N 2.67Å; K696-R699 WeakPolarHBondContact O-CB 3.2Å; K696-R699 PolarHBondContact O-N 3.43Å; R697-R699 PolarHBondContact O-N 2.89Å; R699-E701 PolarHBondContact O-N 3.42Å; R699-E701 VanDerWaalsContact O-N 3.13Å; R699-A702 PolarHBondContact O-N 3.05Å
700K85.5Confident86.2Confident63 Ų6385.7 Ų85.727%0.27440%0.404SS..THydrogen-bonded Turntrans-64.1-8.5172.2-66.3-177.9171173.90113.5I463 E466 V467 R697 K698 A702 E703 L704I463-K700 HydrophobicContact CG2-CB 3.94Å; E466-K700 IonicContact OE1-NZ 3.14Å; E466-K700 PolarHBondContact OE1-NZ 3.41Å; E466-K700 IonicContact OE2-NZ 4Å; E466-K700 PolarHBondContact OE2-NZ 3.07Å; V467-K700 HydrophobicContact CG2-CB 4.07Å; R697-K700 WeakPolarHBondContact O-CB 3.43Å; R697-K700 PolarHBondContact O-N 3.01Å; R697-K700 VanDerWaalsContact O-N 3.11Å; K698-K700 PolarHBondContact O-N 3.19Å; K698-K700 VanDerWaalsContact O-N 3.13Å; K700-A702 PolarHBondContact O-N 3.4Å; K700-E703 WeakPolarHBondContact O-CA 3.38Å; K700-E703 WeakPolarHBondContact O-CB 3.44Å; K700-E703 PolarHBondContact O-N 2.84Å; K700-L704 PolarHBondContact O-N 3.49Å
701E85.7Confident86.2Confident71 Ų7183.5 Ų83.533%0.33239%0.394SS..Hα-helixtrans-56.9-31.5172.1-165.3-171.7156.300112.6V467 K698 R699 L704 R705V467-E701 HydrophobicContact CG1-CB 4.4Å; K698-E701 VanDerWaalsContact O-CB 3.32Å; K698-E701 WeakPolarHBondContact O-CB 3.3Å; K698-E701 PolarHBondContact O-N 3.26Å; R699-E701 PolarHBondContact O-N 3.42Å; R699-E701 VanDerWaalsContact O-N 3.13Å; E701-L704 PolarHBondContact O-N 3.22Å; E701-R705 WeakPolarHBondContact O-CG 3.38Å; E701-R705 PolarHBondContact O-N 3.41Å; E701-R705 VanDerWaalsContact O-N 3.14Å; E701-R705 IonicContact OE1-CZ 3.5Å; E701-R705 IonicContact OE1-NE 3.64Å; E701-R705 IonicContact OE1-NH2 3.6Å; E701-R705 PolarHBondContact OE1-NH2 3.5Å
702A84.2Confident86.3Confident66 Ų6689.4 Ų89.455%0.54542%0.419SS..Hα-helixtrans-69.4-37.1173.900000112.6R699 K700 T706R699-A702 PolarHBondContact O-N 3.05Å; K700-A702 PolarHBondContact O-N 3.4Å; A702-T706 PolarHBondContact O-N 2.87Å; A702-T706 PolarHBondContact O-OG1 2.92Å
703E85.7Confident86.3Confident105 Ų10584.2 Ų84.249%0.49140%0.404SS..Hα-helixtrans-66.2-43.8173.8-64.4173.8-16500110.2K700 R705 T706 I707K700-E703 WeakPolarHBondContact O-CA 3.38Å; K700-E703 WeakPolarHBondContact O-CB 3.44Å; K700-E703 PolarHBondContact O-N 2.84Å; E703-R705 PolarHBondContact O-N 2.67Å; E703-T706 WeakPolarHBondContact O-CA 3.37Å; E703-T706 WeakPolarHBondContact O-CB 3.49Å; E703-T706 PolarHBondContact O-N 3.34Å; E703-I707 WeakPolarHBondContact O-CG1 3.38Å; E703-I707 PolarHBondContact O-N 2.97Å
704L88.4Confident86.4Confident18 Ų1880 Ų809%0.09439%0.385CS..Hα-helixtrans-55.1-47.3175.9-17764.9000112.1E460 I463 R464 K700 E701 T706 I707 Q708E460-L704 HydrophobicContact CB-CD1 4.43Å; E460-L704 HydrophobicContact CG-CD1 3.52Å; I463-L704 HydrophobicContact CG2-CB 4.06Å; I463-L704 HydrophobicContact CG2-CD1 4.39Å; R464-L704 HydrophobicContact CB-CD1 4.01Å; R464-L704 HydrophobicContact CB-CD2 4.25Å; R464-L704 HydrophobicContact CG-CD2 4.48Å; K700-L704 PolarHBondContact O-N 3.49Å; E701-L704 PolarHBondContact O-N 3.22Å; L704-T706 VanDerWaalsContact C-N 3.27Å; L704-T706 PolarHBondContact O-N 3.06Å; L704-I707 PolarHBondContact O-N 3.31Å; L704-Q708 WeakPolarHBondContact O-CB 3.28Å; L704-Q708 WeakPolarHBondContact O-CG 3.43Å; L704-Q708 PolarHBondContact O-N 3.4Å
705R86.3Confident86.4Confident159 Ų15982 Ų8260%0.640%0.396SS*.Hα-helixtrans-63.2-33.7177.2-68.8179.3-162.2-158.25.5112.6E701 E703 S709E701-R705 WeakPolarHBondContact O-CG 3.38Å; E701-R705 PolarHBondContact O-N 3.41Å; E701-R705 VanDerWaalsContact O-N 3.14Å; E701-R705 IonicContact OE1-CZ 3.5Å; E701-R705 IonicContact OE1-NE 3.64Å; E701-R705 IonicContact OE1-NH2 3.6Å; E701-R705 PolarHBondContact OE1-NH2 3.5Å; E703-R705 PolarHBondContact O-N 2.67Å; R705-S709 PolarHBondContact O-N 2.86Å; R705-S709 VanDerWaalsContact O-N 3.14Å
706T87Confident86.6Confident79 Ų7981.4 Ų81.449%0.48540%0.395SS..Hα-helixtrans-70.1-45.9177.8-55.30000110.6A702 E703 L704 S709 Q710A702-T706 PolarHBondContact O-N 2.87Å; A702-T706 PolarHBondContact O-OG1 2.92Å; E703-T706 WeakPolarHBondContact O-CA 3.37Å; E703-T706 WeakPolarHBondContact O-CB 3.49Å; E703-T706 PolarHBondContact O-N 3.34Å; L704-T706 VanDerWaalsContact C-N 3.27Å; L704-T706 PolarHBondContact O-N 3.06Å; T706-S709 WeakPolarHBondContact O-CB 3.36Å; T706-S709 PolarHBondContact O-N 3.26Å; T706-Q710 WeakPolarHBondContact O-CG 3.47Å; T706-Q710 PolarHBondContact O-N 3.05Å
707I87.6Confident86.6Confident24 Ų2481.5 Ų81.512%0.12339%0.392CS..Hα-helixtrans-61.3-45.1175.9-66.7167.9000110.5Q456 E460 I463 E703 L704 S709 Q710 I711Q456-I707 HydrophobicContact CB-CG2 4.33Å; Q456-I707 WeakPolarHBondContact O-CG2 3.33Å; E460-I707 HydrophobicContact CB-CG2 3.93Å; I463-I707 HydrophobicContact CD1-CD1 3.49Å; I463-I707 VanDerWaalsContact CD1-CD1 3.49Å; E703-I707 WeakPolarHBondContact O-CG1 3.38Å; E703-I707 PolarHBondContact O-N 2.97Å; L704-I707 PolarHBondContact O-N 3.31Å; I707-S709 VanDerWaalsContact C-N 3.27Å; I707-S709 PolarHBondContact O-N 3.06Å; I707-Q710 WeakPolarHBondContact O-CB 3.42Å; I707-Q710 PolarHBondContact O-N 3.25Å; I707-I711 HydrophobicContact CG2-CD1 3.81Å; I707-I711 HydrophobicContact CG2-CG1 4.28Å; I707-I711 WeakPolarHBondContact O-CG1 3.26Å; I707-I711 PolarHBondContact O-N 2.87Å
708Q88.2Confident86.8Confident80 Ų8077.3 Ų77.337%0.37438%0.377SS..Hα-helixtrans-58.1-38175.4-77.2178.1-1700113.2E460 L704 K712E460-Q708 HydrophobicContact CG-CG 4.12Å; E460-Q708 WeakPolarHBondContact OE1-CG 3.47Å; E460-Q708 PolarHBondContact OE1-NE2 2.84Å; L704-Q708 WeakPolarHBondContact O-CB 3.28Å; L704-Q708 WeakPolarHBondContact O-CG 3.43Å; L704-Q708 PolarHBondContact O-N 3.4Å; Q708-K712 WeakPolarHBondContact O-CB 2.83Å; Q708-K712 PolarHBondContact O-N 3.45Å; Q708-K712 VanDerWaalsContact O-N 3.16Å
709S88Confident86.9Confident85 Ų8581.6 Ų81.659%0.59440%0.396SS*.Hα-helixtrans-66.8-40.7175-169.30000111.9R705 T706 I707 K712 G713R705-S709 PolarHBondContact O-N 2.86Å; R705-S709 VanDerWaalsContact O-N 3.14Å; T706-S709 WeakPolarHBondContact O-CB 3.36Å; T706-S709 PolarHBondContact O-N 3.26Å; I707-S709 VanDerWaalsContact C-N 3.27Å; I707-S709 PolarHBondContact O-N 3.06Å; S709-K712 PolarHBondContact O-N 3.11Å; S709-G713 PolarHBondContact O-N 3.05Å
710Q88.5Confident87Confident91 Ų9180.6 Ų80.643%0.42539%0.393SS..Hα-helixtrans-65.9-46.3176.9-68.9175.7-2.300111.9T706 I707 K712 G713 L714T706-Q710 WeakPolarHBondContact O-CG 3.47Å; T706-Q710 PolarHBondContact O-N 3.05Å; I707-Q710 WeakPolarHBondContact O-CB 3.42Å; I707-Q710 PolarHBondContact O-N 3.25Å; Q710-K712 VanDerWaalsContact C-N 3.32Å; Q710-K712 PolarHBondContact O-N 3.46Å; Q710-G713 CarbonylContact O-C 3.53Å; Q710-G713 WeakPolarHBondContact O-CA 3.38Å; Q710-G713 PolarHBondContact O-N 3.02Å; Q710-L714 WeakPolarHBondContact O-CG 3.34Å; Q710-L714 PolarHBondContact O-N 3.19Å
711I88.5Confident87.1Confident10 Ų1078.5 Ų78.55%0.05139%0.386CS..Hα-helixtrans-55.4-48.7175.5-67.8167.8000110.2Q456 R457 E460 I707 G713 L714 D715Q456-I711 HydrophobicContact CB-CD1 4.05Å; Q456-I711 HydrophobicContact CB-CG1 3.59Å; R457-I711 HydrophobicContact CG-CD1 3.96Å; R457-I711 HydrophobicContact CG-CG2 4.34Å; E460-I711 HydrophobicContact CB-CD1 3.95Å; E460-I711 HydrophobicContact CG-CD1 4.33Å; E460-I711 WeakPolarHBondContact OE2-CD1 3.46Å; I707-I711 HydrophobicContact CG2-CD1 3.81Å; I707-I711 HydrophobicContact CG2-CG1 4.28Å; I707-I711 WeakPolarHBondContact O-CG1 3.26Å; I707-I711 PolarHBondContact O-N 2.87Å; I711-G713 VanDerWaalsContact C-N 3.27Å; I711-G713 PolarHBondContact O-N 3.17Å; I711-L714 PolarHBondContact O-N 3.35Å; I711-L714 VanDerWaalsContact O-N 3.12Å; I711-D715 WeakPolarHBondContact O-CB 3.39Å; I711-D715 PolarHBondContact O-N 2.9Å
712K88Confident87.1Confident158 Ų15878.4 Ų78.469%0.68739%0.387SS*.Hα-helixtrans-61.7-36.3178-170.3177.2-178176.90112.4Q708 S709 Q710 T716Q708-K712 WeakPolarHBondContact O-CB 2.83Å; Q708-K712 PolarHBondContact O-N 3.45Å; Q708-K712 VanDerWaalsContact O-N 3.16Å; S709-K712 PolarHBondContact O-N 3.11Å; Q710-K712 VanDerWaalsContact C-N 3.32Å; Q710-K712 PolarHBondContact O-N 3.46Å; K712-T716 WeakPolarHBondContact O-CG2 3.46Å; K712-T716 PolarHBondContact O-N 2.84Å; K712-T716 VanDerWaalsContact O-N 3.15Å; K712-T716 PolarHBondContact O-OG1 3.14Å
713G86.7Confident87.3Confident26 Ų2682.7 Ų82.727%0.26839%0.394SS..Hα-helixtrans-65.8-40.6173.700000112.9S709 Q710 I711 T716 R717S709-G713 PolarHBondContact O-N 3.05Å; Q710-G713 CarbonylContact O-C 3.53Å; Q710-G713 WeakPolarHBondContact O-CA 3.38Å; Q710-G713 PolarHBondContact O-N 3.02Å; I711-G713 VanDerWaalsContact C-N 3.27Å; I711-G713 PolarHBondContact O-N 3.17Å; G713-T716 PolarHBondContact O-OG1 2.8Å; G713-R717 WeakPolarHBondContact O-CG 3.41Å; G713-R717 PolarHBondContact O-N 3.22Å
714L86.8Confident87.2Confident29 Ų2980.3 Ų80.315%0.15238%0.384CS..Hα-helixtrans-70.2-46.4176.2-68.8172.8000111.8A452 I453 Q710 I711 T716 R717 L718A452-L714 HydrophobicContact CB-CD1 4.18Å; I453-L714 HydrophobicContact CD1-CB 3.88Å; I453-L714 HydrophobicContact CG1-CB 3.52Å; I453-L714 HydrophobicContact CG1-CD1 4.06Å; I453-L714 HydrophobicContact CG1-CG 4.42Å; Q710-L714 WeakPolarHBondContact O-CG 3.34Å; Q710-L714 PolarHBondContact O-N 3.19Å; I711-L714 PolarHBondContact O-N 3.35Å; I711-L714 VanDerWaalsContact O-N 3.12Å; L714-T716 VanDerWaalsContact C-N 3.29Å; L714-T716 PolarHBondContact O-N 3.07Å; L714-R717 PolarHBondContact O-N 3.34Å; L714-R717 VanDerWaalsContact O-N 3.14Å; L714-L718 WeakPolarHBondContact O-CB 3.32Å; L714-L718 PolarHBondContact O-N 3.09Å
715D88.3Confident87.2Confident54 Ų5481.2 Ų81.229%0.28939%0.387SS..Hα-helixtrans-57.7-41177.6-89-39000111.7R457 I711 K719R457-D715 IonicContact NH2-OD1 3.37Å; R457-D715 PolarHBondContact NH2-OD1 3.46Å; R457-D715 VanDerWaalsContact NH2-OD1 3.09Å; R457-D715 IonicContact NH2-OD2 3.49Å; R457-D715 PolarHBondContact NH2-OD2 3.22Å; I711-D715 WeakPolarHBondContact O-CB 3.39Å; I711-D715 PolarHBondContact O-N 2.9Å; D715-K719 WeakPolarHBondContact O-CB 3.45Å; D715-K719 PolarHBondContact O-N 3.4Å
716T85.3Confident87.1Confident70 Ų7076.7 Ų76.743%0.42938%0.375SS..Hα-helixtrans-67.7-40.3177.1470000112.5K712 G713 L714 K719 Y720K712-T716 WeakPolarHBondContact O-CG2 3.46Å; K712-T716 PolarHBondContact O-N 2.84Å; K712-T716 VanDerWaalsContact O-N 3.15Å; K712-T716 PolarHBondContact O-OG1 3.14Å; G713-T716 PolarHBondContact O-OG1 2.8Å; L714-T716 VanDerWaalsContact C-N 3.29Å; L714-T716 PolarHBondContact O-N 3.07Å; T716-K719 PolarHBondContact O-N 3.22Å; T716-Y720 WeakPolarHBondContact O-CD2 3.17Å; T716-Y720 PolarHBondContact O-N 2.89Å
717R87.3Confident87Confident149 Ų14975 Ų7556%0.56237%0.367SS*.Hα-helixtrans-64.7-47174.2-71.2173.3-173.6175.92.1111.4G713 L714 K719 Y720 T721G713-R717 WeakPolarHBondContact O-CG 3.41Å; G713-R717 PolarHBondContact O-N 3.22Å; L714-R717 PolarHBondContact O-N 3.34Å; L714-R717 VanDerWaalsContact O-N 3.14Å; R717-K719 VanDerWaalsContact C-N 3.26Å; R717-K719 PolarHBondContact O-N 3.45Å; R717-Y720 PolarHBondContact O-N 2.78Å; R717-T721 PolarHBondContact O-N 3.5Å; R717-T721 PolarHBondContact O-OG1 3.2Å; R717-T721 VanDerWaalsContact O-OG1 3.11Å
718L88.2Confident86.6Confident15 Ų1573.9 Ų73.98%0.07936%0.361CS..Hα-helixtrans-55-43.3176.8179.166.2000111.2I446 N450 I453 L714 Y720 T721 L722I446-L718 HydrophobicContact CB-CD1 4.31Å; I446-L718 HydrophobicContact CG1-CD1 4.13Å; I446-L718 HydrophobicContact CG2-CD1 4.03Å; N450-L718 WeakPolarHBondContact OD1-CD2 3.44Å; I453-L718 HydrophobicContact CD1-CB 4.28Å; I453-L718 HydrophobicContact CD1-CD2 3.75Å; L714-L718 WeakPolarHBondContact O-CB 3.32Å; L714-L718 PolarHBondContact O-N 3.09Å; L718-Y720 VanDerWaalsContact C-N 3.34Å; L718-Y720 PolarHBondContact O-N 2.87Å; L718-T721 PolarHBondContact O-N 3.03Å; L718-L722 HydrophobicContact CD1-CD1 4.4Å; L718-L722 HydrophobicContact CD1-CG 4.3Å; L718-L722 HydrophobicContact CG-CD1 4.03Å; L718-L722 HydrophobicContact CG-CG 4.38Å; L718-L722 WeakPolarHBondContact O-CB 3.23Å; L718-L722 WeakPolarHBondContact O-CG 3.03Å; L718-L722 PolarHBondContact O-N 3.12Å
719K88.2Confident86.2Confident160 Ų16074 Ų7470%0.69636%0.361SS*.Hα-helixtrans-59.3-40.7176.2-175.9176.8-179.8174.90113.1D715 T716 R717 K723D715-K719 WeakPolarHBondContact O-CB 3.45Å; D715-K719 PolarHBondContact O-N 3.4Å; T716-K719 PolarHBondContact O-N 3.22Å; R717-K719 VanDerWaalsContact C-N 3.26Å; R717-K719 PolarHBondContact O-N 3.45Å; K719-K723 PolarHBondContact O-N 3.45Å
720Y85.4Confident85.8Confident181 Ų18176.7 Ų76.771%0.7136%0.364SS*.Hα-helixtrans-70.4-40.8176-73.2-68.2000111.7T716 R717 L718 K723 D724T716-Y720 WeakPolarHBondContact O-CD2 3.17Å; T716-Y720 PolarHBondContact O-N 2.89Å; R717-Y720 PolarHBondContact O-N 2.78Å; L718-Y720 VanDerWaalsContact C-N 3.34Å; L718-Y720 PolarHBondContact O-N 2.87Å; Y720-K723 PolarHBondContact O-N 3.19Å; Y720-D724 PolarHBondContact O-N 3.19Å
721T86.5Confident85.2Confident19 Ų1978.9 Ų78.912%0.11737%0.373CS..Hα-helixtrans-64.6-40.5177-49.20000112.3L442 Y445 I446 R717 L718 K723 D724 K725L442-T721 HydrophobicContact CD2-CG2 3.61Å; Y445-T721 HydrophobicContact CD1-CG2 3.76Å; Y445-T721 HydrophobicContact CE1-CG2 4.36Å; Y445-T721 WeakPolarHBondContact CE1-OG1 3.35Å; I446-T721 HydrophobicContact CD1-CG2 4.14Å; I446-T721 HydrophobicContact CG1-CG2 3.77Å; R717-T721 PolarHBondContact O-N 3.5Å; R717-T721 PolarHBondContact O-OG1 3.2Å; R717-T721 VanDerWaalsContact O-OG1 3.11Å; L718-T721 PolarHBondContact O-N 3.03Å; T721-K723 VanDerWaalsContact C-N 3.33Å; T721-K723 PolarHBondContact O-N 3.01Å; T721-D724 PolarHBondContact O-N 3.18Å; T721-D724 VanDerWaalsContact O-N 3.16Å; T721-K725 WeakPolarHBondContact O-CB 3.44Å; T721-K725 PolarHBondContact O-N 3.3Å
722L86.6Confident84.7Confident69 Ų6981.6 Ų81.636%0.36139%0.387SS..Hα-helixtrans-59.5-44.8175-76.6168.5000111.1I446 L718 D724 K725 D726I446-L722 HydrophobicContact CD1-CD2 3.93Å; I446-L722 HydrophobicContact CG1-CD2 4.38Å; I446-L722 HydrophobicContact CG2-CD2 4.37Å; L718-L722 HydrophobicContact CD1-CD1 4.4Å; L718-L722 HydrophobicContact CD1-CG 4.3Å; L718-L722 HydrophobicContact CG-CD1 4.03Å; L718-L722 HydrophobicContact CG-CG 4.38Å; L718-L722 WeakPolarHBondContact O-CB 3.23Å; L718-L722 WeakPolarHBondContact O-CG 3.03Å; L718-L722 PolarHBondContact O-N 3.12Å; L722-D724 VanDerWaalsContact C-N 3.32Å; L722-D724 PolarHBondContact O-N 3.2Å; L722-K725 WeakPolarHBondContact O-CB 3.49Å; L722-K725 PolarHBondContact O-N 3.41Å; L722-D726 PolarHBondContact O-N 2.8Å
723K87.2Confident84.4Confident156 Ų15674.9 Ų74.968%0.67836%0.358SS*.Hα-helixtrans-62.6-37.8175.1-170.8-178.5177.2-173.20112.6K719 Y720 T721 S727K719-K723 PolarHBondContact O-N 3.45Å; Y720-K723 PolarHBondContact O-N 3.19Å; T721-K723 VanDerWaalsContact C-N 3.33Å; T721-K723 PolarHBondContact O-N 3.01Å; K723-S727 WeakPolarHBondContact O-CB 3.29Å; K723-S727 PolarHBondContact O-N 3.43Å; K723-S727 PolarHBondContact O-OG 3.44Å
724D85.2Confident84.1Confident54 Ų5475.6 Ų75.629%0.28936%0.359SS..Hα-helixtrans-67.8-41.9176.5-164.837.8000111.4R438 Y720 T721 L722 S727 T728R438-D724 IonicContact CZ-OD1 2.79Å; R438-D724 IonicContact CZ-OD2 3.9Å; R438-D724 IonicContact NE-OD2 3.09Å; R438-D724 IonicContact NH2-OD1 3.73Å; R438-D724 PolarHBondContact NH2-OD1 3.08Å; R438-D724 IonicContact NH2-OD2 3.59Å; R438-D724 PolarHBondContact NH2-OD2 3.16Å; Y720-D724 PolarHBondContact O-N 3.19Å; T721-D724 PolarHBondContact O-N 3.18Å; T721-D724 VanDerWaalsContact O-N 3.16Å; L722-D724 VanDerWaalsContact C-N 3.32Å; L722-D724 PolarHBondContact O-N 3.2Å; D724-S727 PolarHBondContact O-N 3.44Å; D724-S727 PolarHBondContact O-OG 3.24Å; D724-T728 WeakPolarHBondContact O-CB 3.31Å; D724-T728 PolarHBondContact O-N 3.34Å; D724-T728 PolarHBondContact O-OG1 3.47Å
725K88.4Confident83.9Confident37 Ų3777 Ų7716%0.16137%0.369CS..Hα-helixtrans-57.6-53.6172.8176.9-132164.2-125.30110.6L439 L442 L443 I446 T721 L722 S727 T728 E729L439-K725 HydrophobicContact CD1-CG 3.62Å; L442-K725 HydrophobicContact CB-CB 4.5Å; L442-K725 HydrophobicContact CD1-CB 4.48Å; L443-K725 HydrophobicContact CD2-CD 4.27Å; L443-K725 HydrophobicContact CD2-CG 4.47Å; I446-K725 HydrophobicContact CD1-CB 3.9Å; I446-K725 HydrophobicContact CD1-CD 3.96Å; I446-K725 HydrophobicContact CD1-CG 4.09Å; T721-K725 WeakPolarHBondContact O-CB 3.44Å; T721-K725 PolarHBondContact O-N 3.3Å; L722-K725 WeakPolarHBondContact O-CB 3.49Å; L722-K725 PolarHBondContact O-N 3.41Å; K725-S727 VanDerWaalsContact C-N 3.29Å; K725-S727 PolarHBondContact O-N 3.48Å; K725-T728 PolarHBondContact O-N 2.81Å; K725-T728 VanDerWaalsContact O-N 3.08Å; K725-E729 WeakPolarHBondContact CE-OE2 3.47Å; K725-E729 IonicContact NZ-OE2 3.58Å; K725-E729 PolarHBondContact NZ-OE2 3.3Å; K725-E729 VanDerWaalsContact O-CB 3.32Å; K725-E729 WeakPolarHBondContact O-CB 3.48Å; K725-E729 PolarHBondContact O-N 3.06Å
726D84.3Confident83.6Confident65 Ų6574.9 Ų74.935%0.34836%0.358SS..Hα-helixtrans-61.1-39.4-179.5-62.2-19000111.1L722 T728 E729 E730L722-D726 PolarHBondContact O-N 2.8Å; D726-T728 PolarHBondContact O-N 3.45Å; D726-E729 PolarHBondContact O-N 2.96Å; D726-E730 VanDerWaalsContact O-CB 3.28Å; D726-E730 WeakPolarHBondContact O-CB 3.35Å; D726-E730 WeakPolarHBondContact O-CG 3.27Å; D726-E730 PolarHBondContact O-N 2.97Å
727S83.3Confident83.6Confident44 Ų4475.7 Ų75.731%0.30836%0.357SS..Hα-helixtrans-68.1-33.5175.570.80000113.9K723 D724 K725 K731K723-S727 WeakPolarHBondContact O-CB 3.29Å; K723-S727 PolarHBondContact O-N 3.43Å; K723-S727 PolarHBondContact O-OG 3.44Å; D724-S727 PolarHBondContact O-N 3.44Å; D724-S727 PolarHBondContact O-OG 3.24Å; K725-S727 VanDerWaalsContact C-N 3.29Å; K725-S727 PolarHBondContact O-N 3.48Å; S727-K731 VanDerWaalsContact O-CB 3.31Å; S727-K731 WeakPolarHBondContact O-CB 3.24Å; S727-K731 PolarHBondContact O-N 3.3Å
728T80.1Confident83.5Confident0 Ų075.1 Ų75.10%036%0.36CS..Iπ-helixtrans-73.7-41.4177.3-54.90000110.6D724 K725 D726 L732 L733D724-T728 WeakPolarHBondContact O-CB 3.31Å; D724-T728 PolarHBondContact O-N 3.34Å; D724-T728 PolarHBondContact O-OG1 3.47Å; K725-T728 PolarHBondContact O-N 2.81Å; K725-T728 VanDerWaalsContact O-N 3.08Å; D726-T728 PolarHBondContact O-N 3.45Å; T728-L732 HydrophobicContact CG2-CD1 4.42Å; T728-L732 WeakPolarHBondContact O-CB 3.44Å; T728-L732 PolarHBondContact O-N 3.42Å; T728-L733 PolarHBondContact O-N 3.02Å; T728-L733 VanDerWaalsContact O-N 3.08Å
729E80.7Confident83.4Confident82 Ų8277.8 Ų77.838%0.38337%0.372SS..Iπ-helixtrans-72.1-53.6-179.4-172.2171.7-147.200112L439 K725 D726L439-E729 HydrophobicContact CD1-CB 4.28Å; K725-E729 WeakPolarHBondContact CE-OE2 3.47Å; K725-E729 IonicContact NZ-OE2 3.58Å; K725-E729 PolarHBondContact NZ-OE2 3.3Å; K725-E729 VanDerWaalsContact O-CB 3.32Å; K725-E729 WeakPolarHBondContact O-CB 3.48Å; K725-E729 PolarHBondContact O-N 3.06Å; D726-E729 PolarHBondContact O-N 2.96Å
730E77.7Confident83.3Confident141 Ų14171.8 Ų71.866%0.65935%0.347SS*.Iπ-helixtrans-78.6-29.1-173.2-68-175.5160.900114.1D726 S734D726-E730 VanDerWaalsContact O-CB 3.28Å; D726-E730 WeakPolarHBondContact O-CB 3.35Å; D726-E730 WeakPolarHBondContact O-CG 3.27Å; D726-E730 PolarHBondContact O-N 2.97Å; E730-S734 PolarHBondContact O-OG 3.37Å
731K76.5Confident83.4Confident138 Ų13867.7 Ų67.760%0.634%0.338SS*.Iπ-helixtrans-108-49.7-174-58.3-177.7175.4-174.80113S727 S734 T735S727-K731 VanDerWaalsContact O-CB 3.31Å; S727-K731 WeakPolarHBondContact O-CB 3.24Å; S727-K731 PolarHBondContact O-N 3.3Å; K731-S734 PolarHBondContact O-OG 3.24Å; K731-T735 WeakPolarHBondContact O-CB 3.48Å; K731-T735 PolarHBondContact O-N 3.48Å; K731-T735 PolarHBondContact O-OG1 3.45Å
732L77.7Confident83.4Confident66 Ų6671.2 Ų71.235%0.34635%0.353SS..Iπ-helixtrans-79.7-43.7-171.7-68.1170.7000111.9T728 N736T728-L732 HydrophobicContact CG2-CD1 4.42Å; T728-L732 WeakPolarHBondContact O-CB 3.44Å; T728-L732 PolarHBondContact O-N 3.42Å; L732-N736 VanDerWaalsContact O-CB 3.25Å; L732-N736 WeakPolarHBondContact O-CB 3.43Å; L732-N736 PolarHBondContact O-N 2.86Å; L732-N736 PolarHBondContact O-OD1 3.3Å
733L81.4Confident83.4Confident18 Ų1868.9 Ų68.99%0.09434%0.341CS..Iπ-helixtrans-68.9-48.1179.8-70.2179.8000112.4L432 N435 K436 L439 T728 T735 N736 E737L432-L733 HydrophobicContact CD1-CD2 3.65Å; N435-L733 HydrophobicContact CB-CD2 3.71Å; K436-L733 HydrophobicContact CG-CD2 3.82Å; L439-L733 HydrophobicContact CD2-CD1 3.65Å; T728-L733 PolarHBondContact O-N 3.02Å; T728-L733 VanDerWaalsContact O-N 3.08Å; L733-T735 PolarHBondContact O-N 3.1Å; L733-N736 PolarHBondContact O-N 3.06Å; L733-E737 WeakPolarHBondContact O-CB 3.46Å; L733-E737 WeakPolarHBondContact O-CG 3.17Å; L733-E737 PolarHBondContact O-N 3.32Å
734S81Confident83.4Confident40 Ų4063.4 Ų63.428%0.2832%0.324SS..Hα-helixtrans-58.1-48.5177.557.30000112.1E730 K731 N736 E737 E738E730-S734 PolarHBondContact O-OG 3.37Å; K731-S734 PolarHBondContact O-OG 3.24Å; S734-N736 PolarHBondContact O-N 3.46Å; S734-E737 PolarHBondContact O-N 3.43Å; S734-E738 WeakPolarHBondContact O-CB 3.41Å; S734-E738 WeakPolarHBondContact O-CG 3.47Å; S734-E738 PolarHBondContact O-N 2.95Å
735T82.2Confident83.5Confident59 Ų5967.9 Ų67.936%0.36234%0.337SS..Hα-helixtrans-62.8-43.5178.2-53.60000111K731 L733 E737 E738 E739K731-T735 WeakPolarHBondContact O-CB 3.48Å; K731-T735 PolarHBondContact O-N 3.48Å; K731-T735 PolarHBondContact O-OG1 3.45Å; L733-T735 PolarHBondContact O-N 3.1Å; T735-E737 PolarHBondContact O-N 2.7Å; T735-E738 PolarHBondContact O-N 3.02Å; T735-E739 HydrophobicContact CG2-CG 4.38Å; T735-E739 WeakPolarHBondContact O-CB 3.26Å; T735-E739 VanDerWaalsContact O-CG 3.27Å; T735-E739 WeakPolarHBondContact O-CG 3.48Å; T735-E739 PolarHBondContact O-N 3.2Å
736N83.5Confident83.5Confident9 Ų969.3 Ų69.35%0.04834%0.344CS..Hα-helixtrans-65-37.8177.7-75.510.7000112.4L432 N435 L732 L733 S734 M740L432-N736 HydrophobicContact CB-CB 4.47Å; L432-N736 HydrophobicContact CD1-CB 3.86Å; N435-N736 PolarHBondContact ND2-ND2 3.37Å; N435-N736 VanDerWaalsContact ND2-ND2 3.17Å; L732-N736 VanDerWaalsContact O-CB 3.25Å; L732-N736 WeakPolarHBondContact O-CB 3.43Å; L732-N736 PolarHBondContact O-N 2.86Å; L732-N736 PolarHBondContact O-OD1 3.3Å; L733-N736 PolarHBondContact O-N 3.06Å; S734-N736 PolarHBondContact O-N 3.46Å; N736-M740 WeakPolarHBondContact O-CB 3.44Å; N736-M740 VanDerWaalsContact O-CG 3.29Å; N736-M740 WeakPolarHBondContact O-CG 3.48Å; N736-M740 PolarHBondContact O-N 2.92Å
737E84.7Confident83.7Confident88 Ų8867.3 Ų67.341%0.41133%0.333SS..Hα-helixtrans-69.2-41176.6-74-179.2172.300111.8L432 K436 L733 S734 T735 M740 N741L432-E737 HydrophobicContact CD1-CG 3.75Å; L432-E737 HydrophobicContact CD2-CG 4.19Å; K436-E737 IonicContact NZ-OE1 3.24Å; L733-E737 WeakPolarHBondContact O-CB 3.46Å; L733-E737 WeakPolarHBondContact O-CG 3.17Å; L733-E737 PolarHBondContact O-N 3.32Å; S734-E737 PolarHBondContact O-N 3.43Å; T735-E737 PolarHBondContact O-N 2.7Å; E737-M740 PolarHBondContact O-N 3.42Å; E737-N741 WeakPolarHBondContact O-CB 3.42Å; E737-N741 VanDerWaalsContact O-CG 3.26Å; E737-N741 PolarHBondContact O-N 3.46Å; E737-N741 PolarHBondContact O-ND2 3.24Å; E737-N741 VanDerWaalsContact O-ND2 3.12Å
738E85.9Confident83.9Confident137 Ų13771.9 Ų71.964%0.6435%0.35SS*.Hα-helixtrans-62.6-45.9173.5-74.2177.6-175.600111.7S734 T735 N741 Q742S734-E738 WeakPolarHBondContact O-CB 3.41Å; S734-E738 WeakPolarHBondContact O-CG 3.47Å; S734-E738 PolarHBondContact O-N 2.95Å; T735-E738 PolarHBondContact O-N 3.02Å; E738-N741 PolarHBondContact O-N 2.8Å; E738-Q742 PolarHBondContact O-N 2.77Å
739E85.1Confident84.3Confident71 Ų7178 Ų7833%0.33238%0.378SS..Hα-helixtrans-62.9-43.5175.6-74.5177.5-179.700111.9K428 T735 N741 Q742 I743K428-E739 WeakPolarHBondContact CE-OE2 3.13Å; K428-E739 IonicContact NZ-OE2 3.56Å; K428-E739 PolarHBondContact NZ-OE2 3.04Å; T735-E739 HydrophobicContact CG2-CG 4.38Å; T735-E739 WeakPolarHBondContact O-CB 3.26Å; T735-E739 VanDerWaalsContact O-CG 3.27Å; T735-E739 WeakPolarHBondContact O-CG 3.48Å; T735-E739 PolarHBondContact O-N 3.2Å; E739-N741 PolarHBondContact O-N 3.08Å; E739-Q742 PolarHBondContact O-N 2.81Å; E739-I743 VanDerWaalsContact O-CG1 3.23Å; E739-I743 WeakPolarHBondContact O-CG1 3.22Å; E739-I743 PolarHBondContact O-N 3.03Å
740M86.2Confident84.7Confident34 Ų3475 Ų7517%0.16737%0.366CS..Hα-helixtrans-60.9-43.3175.6-82.4-170.866.800112.1L425 K428 E429 L432 N736 E737 Q742 I743 A744L425-M740 HydrophobicContact CD1-CB 4.34Å; L425-M740 HydrophobicContact CD1-CE 4.06Å; L425-M740 HydrophobicContact CD1-CG 4.33Å; K428-M740 HydrophobicContact CB-CG 3.7Å; E429-M740 HydrophobicContact CB-CE 3.88Å; E429-M740 HydrophobicContact CB-SD 4.22Å; E429-M740 HydrophobicContact CG-CE 4.16Å; L432-M740 HydrophobicContact CB-SD 4.24Å; L432-M740 HydrophobicContact CD2-SD 3.74Å; N736-M740 WeakPolarHBondContact O-CB 3.44Å; N736-M740 VanDerWaalsContact O-CG 3.29Å; N736-M740 WeakPolarHBondContact O-CG 3.48Å; N736-M740 PolarHBondContact O-N 2.92Å; E737-M740 PolarHBondContact O-N 3.42Å; M740-Q742 VanDerWaalsContact C-N 3.29Å; M740-Q742 PolarHBondContact O-N 2.89Å; M740-I743 PolarHBondContact O-N 3.47Å; M740-A744 VanDerWaalsContact O-CB 3.3Å; M740-A744 WeakPolarHBondContact O-CB 3.38Å; M740-A744 PolarHBondContact O-N 3.1Å
741N87Confident85.2Confident95 Ų9572.2 Ų72.251%0.50835%0.353SS..Hα-helixtrans-63.4-37.2176.7-75.1-33.8000111.7E737 E738 E739 R745E737-N741 WeakPolarHBondContact O-CB 3.42Å; E737-N741 VanDerWaalsContact O-CG 3.26Å; E737-N741 PolarHBondContact O-N 3.46Å; E737-N741 PolarHBondContact O-ND2 3.24Å; E737-N741 VanDerWaalsContact O-ND2 3.12Å; E738-N741 PolarHBondContact O-N 2.8Å; E739-N741 PolarHBondContact O-N 3.08Å; N741-R745 WeakPolarHBondContact O-CG 3.18Å; N741-R745 PolarHBondContact O-N 3.43Å; N741-R745 VanDerWaalsContact O-N 3.12Å
742Q87Confident85.8Confident93 Ų9371.2 Ų71.244%0.43535%0.35SS..Hα-helixtrans-67.2-46175.9-173.759.228.600111.6E738 E739 M740 A744 R745 E746E738-Q742 PolarHBondContact O-N 2.77Å; E739-Q742 PolarHBondContact O-N 2.81Å; M740-Q742 VanDerWaalsContact C-N 3.29Å; M740-Q742 PolarHBondContact O-N 2.89Å; Q742-A744 VanDerWaalsContact C-N 3.32Å; Q742-A744 PolarHBondContact O-N 3.26Å; Q742-R745 PolarHBondContact O-N 2.9Å; Q742-E746 PolarHBondContact O-N 3.22Å
743I86.3Confident86.3Confident20 Ų2069.7 Ų69.710%0.10335%0.345CS..Hα-helixtrans-63.4-37.9176.6-65.1166.4000111.1I421 L425 K428 E739 M740 E746 L747I421-I743 HydrophobicContact CG2-CG2 3.69Å; L425-I743 HydrophobicContact CB-CG2 3.81Å; L425-I743 HydrophobicContact CD1-CB 4.2Å; L425-I743 HydrophobicContact CD1-CG2 3.96Å; L425-I743 HydrophobicContact CG-CG2 4.46Å; K428-I743 HydrophobicContact CB-CD1 4.48Å; K428-I743 HydrophobicContact CG-CD1 3.79Å; E739-I743 VanDerWaalsContact O-CG1 3.23Å; E739-I743 WeakPolarHBondContact O-CG1 3.22Å; E739-I743 PolarHBondContact O-N 3.03Å; M740-I743 PolarHBondContact O-N 3.47Å; I743-E746 PolarHBondContact O-N 3.06Å; I743-L747 PolarHBondContact O-N 3.19Å
744A86.7Confident86.5Confident41 Ų4169.4 Ų69.434%0.33934%0.343SS..Hα-helixtrans-65.5-37.7176.800000112.4M740 Q742 L747 E748M740-A744 VanDerWaalsContact O-CB 3.3Å; M740-A744 WeakPolarHBondContact O-CB 3.38Å; M740-A744 PolarHBondContact O-N 3.1Å; Q742-A744 VanDerWaalsContact C-N 3.32Å; Q742-A744 PolarHBondContact O-N 3.26Å; A744-L747 WeakPolarHBondContact O-CB 3.43Å; A744-L747 PolarHBondContact O-N 3.06Å; A744-E748 PolarHBondContact O-N 3.28Å
745R89.1Confident86.8Confident148 Ų14869 Ų6956%0.55835%0.345SS*.Hα-helixtrans-65-42.9172.1-70.4175.8-163167.24.9111.7N741 Q742 L747 E748 E749N741-R745 WeakPolarHBondContact O-CG 3.18Å; N741-R745 PolarHBondContact O-N 3.43Å; N741-R745 VanDerWaalsContact O-N 3.12Å; Q742-R745 PolarHBondContact O-N 2.9Å; R745-L747 PolarHBondContact O-N 3.46Å; R745-E748 PolarHBondContact O-N 2.89Å; R745-E749 WeakPolarHBondContact O-CG 3.26Å; R745-E749 PolarHBondContact O-N 3.42Å
746E87.6Confident87.1Confident66 Ų6673 Ų7331%0.30835%0.354SS..Hα-helixtrans-60.4-36.5174.4-70.8178.3-157.600111.8I421 Q742 I743 V750I421-E746 HydrophobicContact CD1-CB 4.25Å; Q742-E746 PolarHBondContact O-N 3.22Å; I743-E746 PolarHBondContact O-N 3.06Å; E746-V750 VanDerWaalsContact O-CG2 3.32Å; E746-V750 WeakPolarHBondContact O-CG2 3.5Å; E746-V750 PolarHBondContact O-N 3.45Å; E746-V750 VanDerWaalsContact O-N 3.1Å
747L88.5Confident87.2Confident23 Ų2373 Ų7312%0.1236%0.355CS..Hα-helixtrans-63.5-46.6174.6-174.763.7000111.3K418 I421 E422 L425 I743 A744 R745 E749 V750 E751K418-L747 HydrophobicContact CG-CD1 3.84Å; I421-L747 HydrophobicContact CB-CD1 4.47Å; I421-L747 HydrophobicContact CG2-CB 3.82Å; I421-L747 HydrophobicContact CG2-CD1 4.07Å; E422-L747 HydrophobicContact CG-CD1 3.84Å; E422-L747 HydrophobicContact CG-CD2 4.28Å; L425-L747 HydrophobicContact CD2-CD2 4.34Å; I743-L747 PolarHBondContact O-N 3.19Å; A744-L747 WeakPolarHBondContact O-CB 3.43Å; A744-L747 PolarHBondContact O-N 3.06Å; R745-L747 PolarHBondContact O-N 3.46Å; L747-E749 PolarHBondContact O-N 3.12Å; L747-V750 PolarHBondContact O-N 3.26Å; L747-E751 HydrophobicContact CD1-CG 4.4Å; L747-E751 HydrophobicContact CG-CG 4.43Å; L747-E751 WeakPolarHBondContact O-CB 3.25Å; L747-E751 WeakPolarHBondContact O-CG 3.19Å; L747-E751 PolarHBondContact O-N 3.35Å
748E88.2Confident87.4Confident140 Ų14073.4 Ų73.465%0.65436%0.356SS*.Hα-helixtrans-60.6-42.8178.9-167.8174-169.300111.7A744 R745 V750 E751 E752A744-E748 PolarHBondContact O-N 3.28Å; R745-E748 PolarHBondContact O-N 2.89Å; E748-V750 PolarHBondContact O-N 2.99Å; E748-E751 PolarHBondContact O-N 3.29Å; E748-E752 PolarHBondContact O-N 3.45Å
749E88.5Confident87.6Confident128 Ų12870.4 Ų70.460%0.59835%0.348SS*.Hα-helixtrans-62.9-39.9175.7-71.2178.2-175.300112.8R745 L747 S753R745-E749 WeakPolarHBondContact O-CG 3.26Å; R745-E749 PolarHBondContact O-N 3.42Å; L747-E749 PolarHBondContact O-N 3.12Å; E749-S753 WeakPolarHBondContact O-CB 3.45Å; E749-S753 PolarHBondContact O-N 3.43Å; E749-S753 VanDerWaalsContact O-N 3.13Å; E749-S753 PolarHBondContact O-OG 3.2Å
750V88.4Confident87.7Confident19 Ų1971.6 Ų71.612%0.11535%0.352CS..Hα-helixtrans-72.4-37.9177.7170.80000111.3L414 R417 K418 I421 E746 L747 E748 S753 L754L414-V750 HydrophobicContact CD2-CG1 4.48Å; L414-V750 WeakPolarHBondContact O-CG1 3.4Å; R417-V750 HydrophobicContact CG-CG2 4.3Å; K418-V750 HydrophobicContact CB-CG1 4.04Å; I421-V750 HydrophobicContact CD1-CB 4.46Å; I421-V750 HydrophobicContact CD1-CG2 3.79Å; E746-V750 VanDerWaalsContact O-CG2 3.32Å; E746-V750 WeakPolarHBondContact O-CG2 3.5Å; E746-V750 PolarHBondContact O-N 3.45Å; E746-V750 VanDerWaalsContact O-N 3.1Å; L747-V750 PolarHBondContact O-N 3.26Å; E748-V750 PolarHBondContact O-N 2.99Å; V750-S753 PolarHBondContact O-N 3.39Å; V750-L754 HydrophobicContact CG1-CD1 4.27Å; V750-L754 WeakPolarHBondContact O-CG 3.49Å; V750-L754 PolarHBondContact O-N 3.44Å
751E87.9Confident87.7Confident84 Ų8471.1 Ų71.139%0.39335%0.35SS..Hα-helixtrans-65.4-41.3175.5-75.1-169.2147.500112.3K418 L747 E748 S753 L754 G755K418-E751 HydrophobicContact CD-CG 4.26Å; K418-E751 WeakPolarHBondContact CE-OE1 3.3Å; K418-E751 IonicContact NZ-OE1 2.67Å; K418-E751 PolarHBondContact NZ-OE1 3.12Å; L747-E751 HydrophobicContact CD1-CG 4.4Å; L747-E751 HydrophobicContact CG-CG 4.43Å; L747-E751 WeakPolarHBondContact O-CB 3.25Å; L747-E751 WeakPolarHBondContact O-CG 3.19Å; L747-E751 PolarHBondContact O-N 3.35Å; E748-E751 PolarHBondContact O-N 3.29Å; E751-S753 VanDerWaalsContact C-N 3.3Å; E751-S753 PolarHBondContact O-N 2.97Å; E751-L754 WeakPolarHBondContact O-CB 3.41Å; E751-L754 PolarHBondContact O-N 3.08Å; E751-G755 PolarHBondContact O-N 3.01Å
752E89.4Confident87.8Confident117 Ų11772 Ų7255%0.54735%0.351SS..Hα-helixtrans-61.8-41.5173.2-163.6-158.3-178.400111.1E748 G755 R756E748-E752 PolarHBondContact O-N 3.45Å; E752-G755 PolarHBondContact O-N 3.37Å; E752-R756 VanDerWaalsContact CD-NH2 3.35Å; E752-R756 WeakPolarHBondContact O-CG 3.45Å; E752-R756 PolarHBondContact O-N 2.99Å; E752-R756 IonicContact OE1-NE 2.78Å; E752-R756 IonicContact OE1-NH2 2.66Å; E752-R756 IonicContact OE2-CZ 3.41Å; E752-R756 IonicContact OE2-NH2 3.91Å; E752-R756 PolarHBondContact OE2-NH2 3.44Å
753S86.9Confident87.8Confident33 Ų3373.3 Ų73.323%0.23136%0.357CS..Hα-helixtrans-66-37.9177-60.60000112.4E749 V750 E751 R756 C757E749-S753 WeakPolarHBondContact O-CB 3.45Å; E749-S753 PolarHBondContact O-N 3.43Å; E749-S753 VanDerWaalsContact O-N 3.13Å; E749-S753 PolarHBondContact O-OG 3.2Å; V750-S753 PolarHBondContact O-N 3.39Å; E751-S753 VanDerWaalsContact C-N 3.3Å; E751-S753 PolarHBondContact O-N 2.97Å; S753-R756 PolarHBondContact O-N 3.46Å; S753-C757 PolarHBondContact O-N 3.48Å; S753-C757 PolarHBondContact O-SG 3.08Å
754L86.8Confident87.9Confident12 Ų1273 Ų736%0.06336%0.355CS..Hα-helixtrans-61.6-45.6172.1-84.8164.8000111.3Y411 L414 K418 V750 E751 R756 C757 Q758Y411-L754 HydrophobicContact CD2-CD2 3.54Å; Y411-L754 HydrophobicContact CE2-CD2 3.53Å; Y411-L754 HydrophobicContact CG-CD2 4.09Å; L414-L754 HydrophobicContact CB-CD2 3.78Å; L414-L754 HydrophobicContact CB-CG 3.91Å; K418-L754 HydrophobicContact CB-CD1 3.98Å; K418-L754 HydrophobicContact CD-CD1 3.68Å; K418-L754 HydrophobicContact CG-CD1 4.37Å; V750-L754 HydrophobicContact CG1-CD1 4.27Å; V750-L754 WeakPolarHBondContact O-CG 3.49Å; V750-L754 PolarHBondContact O-N 3.44Å; E751-L754 WeakPolarHBondContact O-CB 3.41Å; E751-L754 PolarHBondContact O-N 3.08Å; L754-R756 VanDerWaalsContact C-N 3.34Å; L754-R756 PolarHBondContact O-N 2.92Å; L754-C757 PolarHBondContact O-N 3.44Å; L754-Q758 WeakPolarHBondContact O-CB 3.49Å; L754-Q758 PolarHBondContact O-N 3.33Å
755G86.2Confident87.9Confident31 Ų3173.8 Ų73.832%0.3235%0.352SS..Hα-helixtrans-60.4-41.8176.700000112.7E751 E752 Q758 T759E751-G755 PolarHBondContact O-N 3.01Å; E752-G755 PolarHBondContact O-N 3.37Å; G755-Q758 PolarHBondContact O-N 2.89Å; G755-T759 PolarHBondContact O-N 3.33Å; G755-T759 PolarHBondContact O-OG1 3Å
756R88.8Confident87.9Confident144 Ų14472.5 Ų72.554%0.54336%0.355SS..Hα-helixtrans-62.9-46.4174-73.3-174.1-102157.1-8.2112.2E752 S753 L754 T759 K760E752-R756 VanDerWaalsContact CD-NH2 3.35Å; E752-R756 WeakPolarHBondContact O-CG 3.45Å; E752-R756 PolarHBondContact O-N 2.99Å; E752-R756 IonicContact OE1-NE 2.78Å; E752-R756 IonicContact OE1-NH2 2.66Å; E752-R756 IonicContact OE2-CZ 3.41Å; E752-R756 IonicContact OE2-NH2 3.91Å; E752-R756 PolarHBondContact OE2-NH2 3.44Å; S753-R756 PolarHBondContact O-N 3.46Å; L754-R756 VanDerWaalsContact C-N 3.34Å; L754-R756 PolarHBondContact O-N 2.92Å; R756-T759 PolarHBondContact O-N 3.26Å; R756-K760 PolarHBondContact O-N 2.92Å; R756-K760 VanDerWaalsContact O-N 3.15Å
757C86.6Confident87.8Confident10 Ų1071.7 Ų71.77%0.06836%0.357CS..Hα-helixtrans-62.8-43.9177.1-69.10000111.7Y411 S753 L754 T759 K760 M761Y411-C757 HydrophobicContact CD2-CB 4.38Å; S753-C757 PolarHBondContact O-N 3.48Å; S753-C757 PolarHBondContact O-SG 3.08Å; L754-C757 PolarHBondContact O-N 3.44Å; C757-T759 VanDerWaalsContact C-N 3.34Å; C757-T759 PolarHBondContact O-N 3.46Å; C757-K760 PolarHBondContact O-N 3.28Å; C757-M761 WeakPolarHBondContact O-CB 3.49Å; C757-M761 VanDerWaalsContact O-CG 3.3Å; C757-M761 WeakPolarHBondContact O-CG 3.41Å; C757-M761 PolarHBondContact O-N 2.92Å
758Q88.5Confident87.6Confident95 Ų9570.7 Ų70.744%0.44435%0.351SS..Hα-helixtrans-61.7-41.9179.8-172.9176.71.700112Y411 L754 G755 M761 Q762Y411-Q758 HydrophobicContact CE2-CB 4.25Å; L754-Q758 WeakPolarHBondContact O-CB 3.49Å; L754-Q758 PolarHBondContact O-N 3.33Å; G755-Q758 PolarHBondContact O-N 2.89Å; Q758-M761 PolarHBondContact O-N 3.28Å; Q758-Q762 WeakPolarHBondContact O-CG 3.26Å; Q758-Q762 PolarHBondContact O-N 2.86Å
759T89.2Confident87.4Confident75 Ų7568 Ų6846%0.4634%0.342SS..Hα-helixtrans-61.6-48.4176-520000110.7G755 R756 C757 M761 Q762 E763G755-T759 PolarHBondContact O-N 3.33Å; G755-T759 PolarHBondContact O-OG1 3Å; R756-T759 PolarHBondContact O-N 3.26Å; C757-T759 VanDerWaalsContact C-N 3.34Å; C757-T759 PolarHBondContact O-N 3.46Å; T759-M761 VanDerWaalsContact C-N 3.35Å; T759-M761 PolarHBondContact O-N 2.92Å; T759-Q762 WeakPolarHBondContact O-CB 3.47Å; T759-Q762 PolarHBondContact O-N 3.24Å; T759-Q762 VanDerWaalsContact O-N 3.14Å; T759-E763 PolarHBondContact O-N 3.45Å; T759-E763 VanDerWaalsContact O-N 3.12Å
760K87.4Confident87.3Confident96 Ų9664.3 Ų64.342%0.41733%0.332SS..Hα-helixtrans-65-37179-167.9168.2-178.6-177.80112.8Q407 R756 C757 Q762 E763 L764Q407-K760 HydrophobicContact CG-CD 4.27Å; Q407-K760 HydrophobicContact CG-CG 4.32Å; R756-K760 PolarHBondContact O-N 2.92Å; R756-K760 VanDerWaalsContact O-N 3.15Å; C757-K760 PolarHBondContact O-N 3.28Å; K760-Q762 VanDerWaalsContact C-N 3.33Å; K760-Q762 PolarHBondContact O-N 2.88Å; K760-E763 PolarHBondContact O-N 3.2Å; K760-L764 HydrophobicContact CG-CD1 4.32Å; K760-L764 WeakPolarHBondContact O-CB 3.47Å; K760-L764 WeakPolarHBondContact O-CG 3.49Å; K760-L764 PolarHBondContact O-N 2.98Å
761M87Confident87Confident24 Ų2464.9 Ų64.912%0.11833%0.334CS..Hα-helixtrans-61.6-40.6172.7-7617967.700111.9Y404 Q407 K408 Y411 C757 Q758 T759 L764 Q765Y404-M761 HydrophobicContact CE2-CB 4.14Å; Y404-M761 HydrophobicContact CE2-CE 3.96Å; Y404-M761 HydrophobicContact CE2-CG 4.49Å; Q407-M761 HydrophobicContact CB-CG 3.71Å; K408-M761 HydrophobicContact CB-CE 3.78Å; K408-M761 HydrophobicContact CB-SD 4.42Å; K408-M761 HydrophobicContact CG-CE 3.94Å; Y411-M761 HydrophobicContact CD2-SD 4.31Å; Y411-M761 HydrophobicContact CG-SD 4.02Å; C757-M761 WeakPolarHBondContact O-CB 3.49Å; C757-M761 VanDerWaalsContact O-CG 3.3Å; C757-M761 WeakPolarHBondContact O-CG 3.41Å; C757-M761 PolarHBondContact O-N 2.92Å; Q758-M761 PolarHBondContact O-N 3.28Å; T759-M761 VanDerWaalsContact C-N 3.35Å; T759-M761 PolarHBondContact O-N 2.92Å; M761-L764 PolarHBondContact O-N 3.39Å; M761-Q765 VanDerWaalsContact O-CB 3.26Å; M761-Q765 WeakPolarHBondContact O-CB 3.44Å; M761-Q765 PolarHBondContact O-N 2.98Å
762Q87.9Confident86.8Confident113 Ų11365.2 Ų65.253%0.52833%0.334SS..Hα-helixtrans-64-43.3176.4-72.4174.4-2.100111.6Q758 T759 K760 Q765 I766Q758-Q762 WeakPolarHBondContact O-CG 3.26Å; Q758-Q762 PolarHBondContact O-N 2.86Å; T759-Q762 WeakPolarHBondContact O-CB 3.47Å; T759-Q762 PolarHBondContact O-N 3.24Å; T759-Q762 VanDerWaalsContact O-N 3.14Å; K760-Q762 VanDerWaalsContact C-N 3.33Å; K760-Q762 PolarHBondContact O-N 2.88Å; Q762-Q765 PolarHBondContact O-N 3.4Å; Q762-I766 VanDerWaalsContact O-CG1 3.3Å; Q762-I766 WeakPolarHBondContact O-CG1 3.35Å; Q762-I766 PolarHBondContact O-N 3.08Å
763E88.6Confident86.5Confident120 Ų12062.1 Ų62.156%0.56133%0.328SS*.Hα-helixtrans-61.3-45.9175.7-68.4175.1170.700112.4T759 K760 I766 S767T759-E763 PolarHBondContact O-N 3.45Å; T759-E763 VanDerWaalsContact O-N 3.12Å; K760-E763 PolarHBondContact O-N 3.2Å; E763-I766 PolarHBondContact O-N 3.39Å; E763-S767 PolarHBondContact O-N 3.24Å; E763-S767 VanDerWaalsContact O-N 3.17Å; E763-S767 PolarHBondContact O-OG 2.87Å; E763-S767 VanDerWaalsContact O-OG 3.07Å
764L87.2Confident86.2Confident13 Ų1365.6 Ų65.67%0.06834%0.339CS..Hα-helixtrans-65-40.6176.5-74.5169.8000111.5L400 E403 Y404 Q407 K760 M761 I766 S767 V768L400-L764 HydrophobicContact CD2-CD2 3.93Å; E403-L764 HydrophobicContact CB-CD1 4.05Å; E403-L764 HydrophobicContact CB-CD2 4.09Å; E403-L764 WeakPolarHBondContact OE2-CD2 3.46Å; Y404-L764 HydrophobicContact CD2-CB 4.17Å; Q407-L764 HydrophobicContact CB-CD1 4.4Å; Q407-L764 HydrophobicContact CG-CD1 3.74Å; K760-L764 HydrophobicContact CG-CD1 4.32Å; K760-L764 WeakPolarHBondContact O-CB 3.47Å; K760-L764 WeakPolarHBondContact O-CG 3.49Å; K760-L764 PolarHBondContact O-N 2.98Å; M761-L764 PolarHBondContact O-N 3.39Å; L764-I766 VanDerWaalsContact C-N 3.32Å; L764-I766 PolarHBondContact O-N 3.08Å; L764-S767 WeakPolarHBondContact O-CB 3.46Å; L764-S767 PolarHBondContact O-N 3.21Å; L764-S767 VanDerWaalsContact O-N 3.11Å; L764-V768 WeakPolarHBondContact O-CG2 3.45Å; L764-V768 PolarHBondContact O-N 3.29Å
765Q87.4Confident85.9Confident59 Ų5966.9 Ų66.928%0.27635%0.346SS..Hα-helixtrans-62.2-39.5177.8-173.364.360.600112Y404 M761 Q762 S767 V768 N769Y404-Q765 HydrophobicContact CD2-CB 4.42Å; Y404-Q765 HydrophobicContact CE2-CB 4.05Å; Y404-Q765 VanDerWaalsContact CE2-OE1 3.3Å; Y404-Q765 VanDerWaalsContact CZ-OE1 3.23Å; Y404-Q765 PolarHBondContact OH-OE1 3.16Å; M761-Q765 VanDerWaalsContact O-CB 3.26Å; M761-Q765 WeakPolarHBondContact O-CB 3.44Å; M761-Q765 PolarHBondContact O-N 2.98Å; Q762-Q765 PolarHBondContact O-N 3.4Å; Q765-S767 VanDerWaalsContact C-N 3.31Å; Q765-V768 PolarHBondContact O-N 3.09Å; Q765-N769 PolarHBondContact NE2-OD1 3.41Å; Q765-N769 WeakPolarHBondContact O-CB 3.46Å; Q765-N769 PolarHBondContact O-N 3.34Å; Q765-N769 PolarHBondContact O-ND2 2.73Å; Q765-N769 PolarHBondContact O-OD1 3.06Å
766I87.9Confident85.6Confident120 Ų12067.3 Ų67.362%0.61534%0.34SS*.Hα-helixtrans-61-43.9173.9-68164.5000110Q762 E763 L764 N769 A770Q762-I766 VanDerWaalsContact O-CG1 3.3Å; Q762-I766 WeakPolarHBondContact O-CG1 3.35Å; Q762-I766 PolarHBondContact O-N 3.08Å; E763-I766 PolarHBondContact O-N 3.39Å; L764-I766 VanDerWaalsContact C-N 3.32Å; L764-I766 PolarHBondContact O-N 3.08Å; I766-N769 PolarHBondContact O-N 3.19Å; I766-A770 PolarHBondContact O-N 3.39Å
767S86.7Confident85.3Confident50 Ų5064.7 Ų64.735%0.3534%0.34SS..Hα-helixtrans-66.6-44179.3-56.20000112.5E763 L764 Q765 N769 A770 E771E763-S767 PolarHBondContact O-N 3.24Å; E763-S767 VanDerWaalsContact O-N 3.17Å; E763-S767 PolarHBondContact O-OG 2.87Å; E763-S767 VanDerWaalsContact O-OG 3.07Å; L764-S767 WeakPolarHBondContact O-CB 3.46Å; L764-S767 PolarHBondContact O-N 3.21Å; L764-S767 VanDerWaalsContact O-N 3.11Å; Q765-S767 VanDerWaalsContact C-N 3.31Å; S767-N769 VanDerWaalsContact C-N 3.32Å; S767-N769 PolarHBondContact O-N 2.92Å; S767-A770 PolarHBondContact O-N 3.37Å; S767-E771 PolarHBondContact O-N 2.95Å
768V83.8Confident85Confident1 Ų165.8 Ų65.81%0.00635%0.347CS..Hα-helixtrans-58-45173.8168.90000110.6L400 N401 L764 Q765 A770 E771 K772L400-V768 HydrophobicContact CB-CG2 3.73Å; N401-V768 WeakPolarHBondContact OD1-CG1 3.2Å; L764-V768 WeakPolarHBondContact O-CG2 3.45Å; L764-V768 PolarHBondContact O-N 3.29Å; Q765-V768 PolarHBondContact O-N 3.09Å; V768-A770 VanDerWaalsContact C-N 3.34Å; V768-A770 PolarHBondContact O-N 3.12Å; V768-E771 PolarHBondContact O-N 2.64Å; V768-K772 HydrophobicContact CG1-CD 4.28Å; V768-K772 HydrophobicContact CG1-CG 4.48Å; V768-K772 WeakPolarHBondContact O-CB 3.43Å; V768-K772 WeakPolarHBondContact O-CG 3.42Å; V768-K772 PolarHBondContact O-N 3.05Å
769N84.7Confident84.6Confident85 Ų8562.1 Ų62.146%0.45533%0.33SS..Hα-helixtrans-65.3-37.8179.4-69.8-11.8000111.9Q765 I766 S767 A773Q765-N769 PolarHBondContact NE2-OD1 3.41Å; Q765-N769 WeakPolarHBondContact O-CB 3.46Å; Q765-N769 PolarHBondContact O-N 3.34Å; Q765-N769 PolarHBondContact O-ND2 2.73Å; Q765-N769 PolarHBondContact O-OD1 3.06Å; I766-N769 PolarHBondContact O-N 3.19Å; S767-N769 VanDerWaalsContact C-N 3.32Å; S767-N769 PolarHBondContact O-N 2.92Å; N769-A773 WeakPolarHBondContact O-CB 3.48Å; N769-A773 PolarHBondContact O-N 2.86Å
770A85.4Confident84.2Confident49 Ų4961.5 Ų61.541%0.40532%0.323SS..Hα-helixtrans-66.4-43.6177.400000112.5I766 S767 V768 A773 K774I766-A770 PolarHBondContact O-N 3.39Å; S767-A770 PolarHBondContact O-N 3.37Å; V768-A770 VanDerWaalsContact C-N 3.34Å; V768-A770 PolarHBondContact O-N 3.12Å; A770-A773 PolarHBondContact O-N 3.48Å; A770-K774 PolarHBondContact O-N 3.35Å
771E83.3Confident83.8Confident32 Ų3261.4 Ų61.415%0.1533%0.331CS..Hα-helixtrans-71.7-37.1176.5-66.8-54.7138.400112.2L393 V396 L397 L400 S767 V768 A773 K774 M775L393-E771 WeakPolarHBondContact CD2-OE2 3.36Å; V396-E771 HydrophobicContact CG1-CG 4.06Å; L397-E771 HydrophobicContact CD1-CB 4.28Å; L400-E771 HydrophobicContact CD1-CB 4.42Å; L400-E771 HydrophobicContact CD1-CG 3.78Å; S767-E771 PolarHBondContact O-N 2.95Å; V768-E771 PolarHBondContact O-N 2.64Å; E771-A773 VanDerWaalsContact C-N 3.33Å; E771-A773 PolarHBondContact O-N 3.42Å; E771-K774 WeakPolarHBondContact O-CB 3.28Å; E771-K774 PolarHBondContact O-N 3.43Å; E771-K774 IonicContact OE1-NZ 3.92Å; E771-K774 PolarHBondContact OE1-NZ 2.84Å; E771-K774 WeakPolarHBondContact OE2-CD 3.47Å; E771-K774 IonicContact OE2-NZ 3.46Å; E771-K774 PolarHBondContact OE2-NZ 3.3Å; E771-M775 PolarHBondContact O-N 3.41Å
772K82.4Confident83.5Confident91 Ų9161 Ų6140%0.39633%0.33SS..Hα-helixtrans-56-47.9171-89-173.4176.1-177.30111.3L397 V768 K774 M775 D776L397-K772 HydrophobicContact CD1-CB 4.25Å; L397-K772 HydrophobicContact CD1-CG 3.56Å; L397-K772 HydrophobicContact CG-CG 4.34Å; V768-K772 HydrophobicContact CG1-CD 4.28Å; V768-K772 HydrophobicContact CG1-CG 4.48Å; V768-K772 WeakPolarHBondContact O-CB 3.43Å; V768-K772 WeakPolarHBondContact O-CG 3.42Å; V768-K772 PolarHBondContact O-N 3.05Å; K772-K774 VanDerWaalsContact C-N 3.25Å; K772-K774 PolarHBondContact O-N 3.5Å; K772-M775 WeakPolarHBondContact O-CB 3.44Å; K772-M775 PolarHBondContact O-N 3.14Å; K772-D776 VanDerWaalsContact O-CB 3.27Å; K772-D776 WeakPolarHBondContact O-CB 3.44Å; K772-D776 PolarHBondContact O-N 2.74Å
773A83Confident83.1Confident51 Ų5155.6 Ų55.642%0.42131%0.305SS..Hα-helixtrans-59-35.9179.200000112.7N769 A770 E771 T777N769-A773 WeakPolarHBondContact O-CB 3.48Å; N769-A773 PolarHBondContact O-N 2.86Å; A770-A773 PolarHBondContact O-N 3.48Å; E771-A773 VanDerWaalsContact C-N 3.33Å; E771-A773 PolarHBondContact O-N 3.42Å; A773-T777 PolarHBondContact O-N 3.38Å; A773-T777 VanDerWaalsContact O-N 3.15Å; A773-T777 PolarHBondContact O-OG1 2.89Å
774K82.3Confident82.7Confident106 Ų10655.4 Ų55.446%0.46130%0.304SS..Hα-helixtrans-67.5-43173.4-65.1175-169.1166.70111.7L393 A770 E771 K772 T777 V778L393-K774 HydrophobicContact CD1-CB 4.25Å; L393-K774 HydrophobicContact CD2-CB 4.13Å; L393-K774 HydrophobicContact CD2-CD 4.13Å; A770-K774 PolarHBondContact O-N 3.35Å; E771-K774 WeakPolarHBondContact O-CB 3.28Å; E771-K774 PolarHBondContact O-N 3.43Å; E771-K774 IonicContact OE1-NZ 3.92Å; E771-K774 PolarHBondContact OE1-NZ 2.84Å; E771-K774 WeakPolarHBondContact OE2-CD 3.47Å; E771-K774 IonicContact OE2-NZ 3.46Å; E771-K774 PolarHBondContact OE2-NZ 3.3Å; K772-K774 VanDerWaalsContact C-N 3.25Å; K772-K774 PolarHBondContact O-N 3.5Å; K774-T777 WeakPolarHBondContact O-CB 3.48Å; K774-T777 PolarHBondContact O-N 3.49Å; K774-V778 PolarHBondContact O-N 3.27Å
775M79.7Confident82.2Confident40 Ų4061 Ų6120%0.19733%0.334CS..Hα-helixtrans-64.9-44.5179.2-150.5178.581.300111.6T390 L393 L397 E771 K772 T777 V778 E779T390-M775 HydrophobicContact CG2-CG 3.55Å; L393-M775 HydrophobicContact CB-CG 4.4Å; L397-M775 HydrophobicContact CD1-SD 4.12Å; E771-M775 PolarHBondContact O-N 3.41Å; K772-M775 WeakPolarHBondContact O-CB 3.44Å; K772-M775 PolarHBondContact O-N 3.14Å; M775-T777 VanDerWaalsContact C-N 3.28Å; M775-T777 PolarHBondContact O-N 2.76Å; M775-V778 WeakPolarHBondContact O-CA 3.24Å; M775-V778 WeakPolarHBondContact O-CB 3.47Å; M775-V778 PolarHBondContact O-N 2.92Å; M775-E779 PolarHBondContact O-N 3.23Å
776D80.3Confident81.8Confident39 Ų3958.4 Ų58.421%0.20932%0.321CS..Hα-helixtrans-54.5-42.3173.7-76.2-10.6000111.9K772 V778 E779 D780 R796K772-D776 VanDerWaalsContact O-CB 3.27Å; K772-D776 WeakPolarHBondContact O-CB 3.44Å; K772-D776 PolarHBondContact O-N 2.74Å; D776-V778 VanDerWaalsContact C-N 3.3Å; D776-V778 PolarHBondContact O-N 3.37Å; D776-E779 PolarHBondContact O-N 3Å; D776-D780 WeakPolarHBondContact O-CB 3.47Å; D776-D780 VanDerWaalsContact O-CG 3.23Å; D776-D780 PolarHBondContact O-N 3.48Å; D776-R796 VanDerWaalsContact CB-CZ 3.41Å; D776-R796 PolarHBondContact O-NH2 3.06Å; D776-R796 IonicContact OD1-CZ 3.79Å; D776-R796 IonicContact OD1-NE 2.86Å; D776-R796 IonicContact OD1-NH1 2.79Å; D776-R796 PolarHBondContact OD1-NH1 2.94Å; D776-R796 IonicContact OD2-CZ 2.84Å; D776-R796 IonicContact OD2-NH1 3.1Å; D776-R796 PolarHBondContact OD2-NH1 3.35Å
777T82.6Confident81Confident89 Ų8952.9 Ų52.955%0.54629%0.294SS..Hα-helixtrans-63.2-37.6177-49.80000111.7A773 K774 M775 T781A773-T777 PolarHBondContact O-N 3.38Å; A773-T777 VanDerWaalsContact O-N 3.15Å; A773-T777 PolarHBondContact O-OG1 2.89Å; K774-T777 WeakPolarHBondContact O-CB 3.48Å; K774-T777 PolarHBondContact O-N 3.49Å; M775-T777 VanDerWaalsContact C-N 3.28Å; M775-T777 PolarHBondContact O-N 2.76Å; T777-T781 PolarHBondContact O-N 2.91Å; T777-T781 PolarHBondContact O-OG1 3.27Å
778V80.3Confident80.5Confident33 Ų3355.5 Ų55.520%0.231%0.307CS..Hα-helixtrans-71.8-42.2175.71800000110.8R389 T390 L393 K774 M775 D776 T781 V782R389-V778 HydrophobicContact CB-CG1 3.85Å; T390-V778 HydrophobicContact CG2-CB 3.77Å; T390-V778 HydrophobicContact CG2-CG1 3.64Å; T390-V778 HydrophobicContact CG2-CG2 4.36Å; L393-V778 HydrophobicContact CD1-CG2 4.4Å; K774-V778 PolarHBondContact O-N 3.27Å; M775-V778 WeakPolarHBondContact O-CA 3.24Å; M775-V778 WeakPolarHBondContact O-CB 3.47Å; M775-V778 PolarHBondContact O-N 2.92Å; D776-V778 VanDerWaalsContact C-N 3.3Å; D776-V778 PolarHBondContact O-N 3.37Å; V778-T781 WeakPolarHBondContact CA-OG1 3.47Å; V778-T781 PolarHBondContact O-N 3.41Å; V778-T781 PolarHBondContact O-OG1 3Å; V778-V782 HydrophobicContact CG1-CG2 4.41Å; V778-V782 WeakPolarHBondContact O-CG2 3.42Å; V778-V782 PolarHBondContact O-N 3.49Å
779E79.1Confident80Confident19 Ų1961.9 Ų61.99%0.08934%0.337CS..Hα-helixtrans-61.3-45.4178-166.3173.6-139.100111.3V386 M775 D776 T781 V782 F783 I795 R796V386-E779 HydrophobicContact CG1-CB 4.42Å; V386-E779 HydrophobicContact CG1-CG 4.4Å; V386-E779 HydrophobicContact CG2-CG 4.3Å; M775-E779 PolarHBondContact O-N 3.23Å; D776-E779 PolarHBondContact O-N 3Å; E779-T781 VanDerWaalsContact C-N 3.32Å; E779-T781 PolarHBondContact O-N 3.36Å; E779-V782 PolarHBondContact O-N 3.37Å; E779-F783 HydrophobicContact CG-CD2 3.66Å; E779-F783 HydrophobicContact CG-CE2 4.07Å; E779-F783 WeakPolarHBondContact O-CB 3.47Å; E779-F783 PolarHBondContact O-N 3.27Å; E779-I795 HydrophobicContact CG-CG2 3.65Å; E779-I795 WeakPolarHBondContact OE1-CG2 3.47Å; E779-R796 IonicContact OE2-NE 3.61Å
780D80.4Confident79.4Confident61 Ų6159.3 Ų59.333%0.32632%0.323SS..Hα-helixtrans-60.9-39176.6-70.2-16.6000111.9D776 H784 R796D776-D780 WeakPolarHBondContact O-CB 3.47Å; D776-D780 VanDerWaalsContact O-CG 3.23Å; D776-D780 PolarHBondContact O-N 3.48Å; D780-H784 WeakPolarHBondContact O-CA 3.38Å; D780-H784 WeakPolarHBondContact O-CB 3.23Å; D780-H784 PolarHBondContact O-N 3.15Å; D780-R796 IonicContact OD1-CZ 2.85Å; D780-R796 IonicContact OD1-NH2 3.33Å; D780-R796 PolarHBondContact OD1-NH2 2.89Å; D780-R796 IonicContact OD2-NH2 2.75Å; D780-R796 PolarHBondContact OD2-NH2 2.93Å
781T80.3Confident78.6Confident94 Ų9460.3 Ų60.358%0.57734%0.338SS*.Hα-helixtrans-71.4-30.3176.148.20000114.3T777 V778 E779T777-T781 PolarHBondContact O-N 2.91Å; T777-T781 PolarHBondContact O-OG1 3.27Å; V778-T781 WeakPolarHBondContact CA-OG1 3.47Å; V778-T781 PolarHBondContact O-N 3.41Å; V778-T781 PolarHBondContact O-OG1 3Å; E779-T781 VanDerWaalsContact C-N 3.32Å; E779-T781 PolarHBondContact O-N 3.36Å
782V79.4Confident77.9Confident15 Ų1560.3 Ų60.39%0.09134%0.34CS..Hα-helixtrans-82.8-39.4179.2176.30000111.3L382 K385 V386 V778 E779L382-V782 HydrophobicContact CB-CG1 4.39Å; L382-V782 HydrophobicContact CD2-CG1 3.97Å; K385-V782 HydrophobicContact CB-CG1 4.21Å; K385-V782 HydrophobicContact CD-CG1 4.36Å; K385-V782 HydrophobicContact CG-CG1 4.46Å; V386-V782 HydrophobicContact CG2-CB 3.58Å; V386-V782 HydrophobicContact CG2-CG1 3.6Å; V386-V782 HydrophobicContact CG2-CG2 4.01Å; V778-V782 HydrophobicContact CG1-CG2 4.41Å; V778-V782 WeakPolarHBondContact O-CG2 3.42Å; V778-V782 PolarHBondContact O-N 3.49Å; E779-V782 PolarHBondContact O-N 3.37Å
783F80Confident77.3Confident1 Ų163.7 Ų63.70%0.00436%0.357CS..Hα-helixtrans-87.8-1.5-179.6-82.5-80.4000114Y379 L382 K383 V386 E779 D785 F786 C787 I795Y379-F783 AromaticContact CD2-CE1 3.81Å; Y379-F783 HydrophobicContact CD2-CE1 3.81Å; Y379-F783 HydrophobicContact CD2-CZ 4.12Å; Y379-F783 HydrophobicContact CE2-CE1 4.31Å; Y379-F783 HydrophobicContact CE2-CZ 4.27Å; L382-F783 HydrophobicContact CB-CD1 3.99Å; L382-F783 HydrophobicContact CB-CE1 3.56Å; L382-F783 HydrophobicContact CB-CE2 4.37Å; L382-F783 HydrophobicContact CB-CZ 3.79Å; L382-F783 HydrophobicContact CD1-CD1 3.92Å; L382-F783 HydrophobicContact CD1-CE1 4.1Å; K383-F783 HydrophobicContact CB-CZ 4.12Å; V386-F783 HydrophobicContact CG2-CD2 3.86Å; V386-F783 HydrophobicContact CG2-CE2 3.68Å; E779-F783 HydrophobicContact CG-CD2 3.66Å; E779-F783 HydrophobicContact CG-CE2 4.07Å; E779-F783 WeakPolarHBondContact O-CB 3.47Å; E779-F783 PolarHBondContact O-N 3.27Å; F783-D785 PolarHBondContact O-N 3.44Å; F783-F786 HydrophobicContact CD1-CB 4.1Å; F783-F786 AromaticContact CD1-CD1 3.67Å; F783-F786 HydrophobicContact CD1-CD1 3.67Å; F783-F786 HydrophobicContact CD1-CE1 4.47Å; F783-F786 HydrophobicContact CD1-CG 4.16Å; F783-F786 HydrophobicContact CE1-CD1 4.02Å; F783-F786 HydrophobicContact CE1-CE1 4.43Å; F783-F786 CarbonylContact O-C 3.53Å; F783-F786 PolarHBondContact O-N 2.84Å; F783-C787 WeakPolarHBondContact O-CB 3.44Å; F783-C787 PolarHBondContact O-N 2.96Å; F783-C787 PolarHBondContact O-SG 2.86Å; F783-I795 HydrophobicContact CB-CB 4.3Å; F783-I795 HydrophobicContact CB-CG2 4.5Å; F783-I795 HydrophobicContact CD1-CB 4.26Å; F783-I795 HydrophobicContact CD1-CD1 4.11Å; F783-I795 HydrophobicContact CD1-CG1 4.08Å; F783-I795 HydrophobicContact CD2-CB 4.29Å; F783-I795 HydrophobicContact CD2-CG2 3.94Å; F783-I795 HydrophobicContact CE1-CD1 4.12Å; F783-I795 HydrophobicContact CE1-CG1 4.06Å; F783-I795 HydrophobicContact CE2-CG1 4.47Å; F783-I795 HydrophobicContact CE2-CG2 4.3Å; F783-I795 HydrophobicContact CG-CB 4.05Å; F783-I795 HydrophobicContact CG-CG1 4.31Å; F783-I795 HydrophobicContact CG-CG2 4.18Å; F783-I795 HydrophobicContact CZ-CG1 4.25Å
784H79.8Confident76.7Confident116 Ų11663.2 Ų63.254%0.53735%0.347SS..Hα-helixtrans-48.3-54.6-176-171.965.7000113.1D780 F786 C787 V788D780-H784 WeakPolarHBondContact O-CA 3.38Å; D780-H784 WeakPolarHBondContact O-CB 3.23Å; D780-H784 PolarHBondContact O-N 3.15Å; H784-F786 VanDerWaalsContact C-N 3.32Å; H784-F786 PolarHBondContact O-N 3.27Å; H784-C787 PolarHBondContact O-N 3.43Å; H784-V788 VanDerWaalsContact O-CG2 3.28Å; H784-V788 WeakPolarHBondContact O-CG2 3.34Å; H784-V788 PolarHBondContact O-N 3.25Å; H784-V788 VanDerWaalsContact O-N 3.07Å
785D78Confident76.2Confident130 Ų13058.1 Ų58.170%0.69533%0.325SS*.Hα-helixtrans-65.8-34.9-178.4-63.5-24.5000112.2F783 Q789F783-D785 PolarHBondContact O-N 3.44Å; D785-Q789 PolarHBondContact O-N 3.4Å
786F77.7Confident75.9Confident4 Ų459.2 Ų59.22%0.01833%0.327CS..Hα-helixtrans-72.1-44.1177.8-174.1-103000111.8L371 Q375 E378 Y379 L382 F783 H784 V788 Q789 I790 I795L371-F786 HydrophobicContact CD2-CZ 3.87Å; Q375-F786 HydrophobicContact CB-CE2 4.24Å; Q375-F786 HydrophobicContact CB-CZ 4.42Å; Q375-F786 WeakPolarHBondContact O-CE2 3.28Å; Q375-F786 WeakPolarHBondContact O-CZ 3.38Å; E378-F786 HydrophobicContact CB-CD2 4.43Å; E378-F786 HydrophobicContact CB-CE2 4.21Å; E378-F786 HydrophobicContact CG-CD2 4.09Å; E378-F786 HydrophobicContact CG-CE2 4.38Å; Y379-F786 HydrophobicContact CD2-CE1 4.09Å; L382-F786 HydrophobicContact CD1-CB 3.36Å; L382-F786 HydrophobicContact CD1-CD1 4.49Å; L382-F786 HydrophobicContact CD1-CD2 3.97Å; L382-F786 HydrophobicContact CD1-CG 3.71Å; F783-F786 HydrophobicContact CD1-CB 4.1Å; F783-F786 AromaticContact CD1-CD1 3.67Å; F783-F786 HydrophobicContact CD1-CD1 3.67Å; F783-F786 HydrophobicContact CD1-CE1 4.47Å; F783-F786 HydrophobicContact CD1-CG 4.16Å; F783-F786 HydrophobicContact CE1-CD1 4.02Å; F783-F786 HydrophobicContact CE1-CE1 4.43Å; F783-F786 CarbonylContact O-C 3.53Å; F783-F786 PolarHBondContact O-N 2.84Å; H784-F786 VanDerWaalsContact C-N 3.32Å; H784-F786 PolarHBondContact O-N 3.27Å; F786-V788 VanDerWaalsContact C-N 3.28Å; F786-V788 PolarHBondContact O-N 3.3Å; F786-Q789 WeakPolarHBondContact O-CA 3.49Å; F786-Q789 VanDerWaalsContact O-CB 3.3Å; F786-Q789 WeakPolarHBondContact O-CB 3.44Å; F786-Q789 PolarHBondContact O-N 3.08Å; F786-I790 HydrophobicContact CD1-CD1 3.55Å; F786-I790 HydrophobicContact CD1-CG1 3.98Å; F786-I790 HydrophobicContact CE1-CD1 3.27Å; F786-I790 HydrophobicContact CE1-CG1 3.97Å; F786-I790 HydrophobicContact CZ-CD1 4.06Å; F786-I790 HydrophobicContact CZ-CG1 4.49Å; F786-I790 WeakPolarHBondContact O-CG1 3.3Å; F786-I790 PolarHBondContact O-N 3.49Å; F786-I795 HydrophobicContact CD1-CD1 4.17Å; F786-I795 HydrophobicContact CE1-CD1 4.04Å
787C71.5Confident75.4Confident5 Ų561.2 Ų61.23%0.03434%0.336CS..Hα-helixtrans-56.8-42.8175-71.80000111.2F783 H784 Q789 I790 G791 V792 I795F783-C787 WeakPolarHBondContact O-CB 3.44Å; F783-C787 PolarHBondContact O-N 2.96Å; F783-C787 PolarHBondContact O-SG 2.86Å; H784-C787 PolarHBondContact O-N 3.43Å; C787-Q789 PolarHBondContact O-N 3.08Å; C787-I790 PolarHBondContact O-N 3.46Å; C787-G791 PolarHBondContact O-N 3.09Å; C787-V792 CarbonylContact C-O 3.58Å; C787-V792 VanDerWaalsContact CB-O 3.26Å; C787-V792 WeakPolarHBondContact CB-O 3.39Å; C787-V792 PolarHBondContact O-N 2.97Å; C787-V792 VanDerWaalsContact O-O 3.08Å; C787-I795 PolarHBondContact SG-N 2.85Å
788V77.3Confident74.6Confident105 Ų10560.4 Ų60.464%0.63632%0.323SS*.Hα-helixtrans-61-34172.8172.50000111.8H784 F786H784-V788 VanDerWaalsContact O-CG2 3.28Å; H784-V788 WeakPolarHBondContact O-CG2 3.34Å; H784-V788 PolarHBondContact O-N 3.25Å; H784-V788 VanDerWaalsContact O-N 3.07Å; F786-V788 VanDerWaalsContact C-N 3.28Å; F786-V788 PolarHBondContact O-N 3.3Å
789Q73.1Confident74Confident135 Ų13561.8 Ų61.863%0.63133%0.327SS*.Hα-helixtrans-77.4-36.8-178.6-1521785.900113.9D785 F786 C787D785-Q789 PolarHBondContact O-N 3.4Å; F786-Q789 WeakPolarHBondContact O-CA 3.49Å; F786-Q789 VanDerWaalsContact O-CB 3.3Å; F786-Q789 WeakPolarHBondContact O-CB 3.44Å; F786-Q789 PolarHBondContact O-N 3.08Å; C787-Q789 PolarHBondContact O-N 3.08Å
790I70.7Confident73.2Confident31 Ų3165.3 Ų65.316%0.15935%0.347CS..Hα-helixtrans-89.1-10.6175.828.3167.1000114.3L371 F786 C787 V792 I795L371-I790 HydrophobicContact CD2-CG2 3.53Å; F786-I790 HydrophobicContact CD1-CD1 3.55Å; F786-I790 HydrophobicContact CD1-CG1 3.98Å; F786-I790 HydrophobicContact CE1-CD1 3.27Å; F786-I790 HydrophobicContact CE1-CG1 3.97Å; F786-I790 HydrophobicContact CZ-CD1 4.06Å; F786-I790 HydrophobicContact CZ-CG1 4.49Å; F786-I790 WeakPolarHBondContact O-CG1 3.3Å; F786-I790 PolarHBondContact O-N 3.49Å; C787-I790 PolarHBondContact O-N 3.46Å; I790-V792 HydrophobicContact CB-CG2 4.19Å; I790-V792 HydrophobicContact CD1-CG2 3.43Å; I790-V792 VanDerWaalsContact CD1-CG2 3.43Å; I790-V792 HydrophobicContact CG1-CG2 3.7Å; I790-I795 HydrophobicContact CD1-CD1 4.19Å
791G69.2Low72.4Confident70 Ų7071.8 Ų71.872%0.72237%0.366SS*.THydrogen-bonded Turntrans78.230177.500000114.4C787C787-G791 PolarHBondContact O-N 3.09Å
792V68.4Low71.4Confident32 Ų3273.4 Ų73.419%0.19437%0.367CS..  trans-111.9145.4170.1-940000109.4C787 I790 N794 Q797C787-V792 CarbonylContact C-O 3.58Å; C787-V792 VanDerWaalsContact CB-O 3.26Å; C787-V792 WeakPolarHBondContact CB-O 3.39Å; C787-V792 PolarHBondContact O-N 2.97Å; C787-V792 VanDerWaalsContact O-O 3.08Å; I790-V792 HydrophobicContact CB-CG2 4.19Å; I790-V792 HydrophobicContact CD1-CG2 3.43Å; I790-V792 VanDerWaalsContact CD1-CG2 3.43Å; I790-V792 HydrophobicContact CG1-CG2 3.7Å; V792-N794 VanDerWaalsContact C-N 3.3Å; V792-N794 PolarHBondContact O-N 2.96Å; V792-Q797 HydrophobicContact CB-CB 4.38Å; V792-Q797 HydrophobicContact CG1-CB 3.95Å
793E71Confident70.3Confident162 Ų16277.7 Ų77.776%0.75739%0.39SS*.SBendtrans-67.4-34.7-178.4-72.7178.4148.500112.3Q797E793-Q797 PolarHBondContact OE2-NE2 3.4Å
794N69.3Low69.6Low40 Ų4085.8 Ų85.821%0.21442%0.42CS..SBendtrans-152.1155.5177.349.129.3000109.3V792 R796 Q797V792-N794 VanDerWaalsContact C-N 3.3Å; V792-N794 PolarHBondContact O-N 2.96Å; N794-R796 PolarHBondContact O-N 3.11Å; N794-R796 VanDerWaalsContact O-N 3.13Å; N794-Q797 PolarHBondContact O-N 2.73Å; N794-Q797 VanDerWaalsContact O-N 3.07Å; N794-Q797 PolarHBondContact OD1-N 2.96Å
795I72.7Confident68.7Low0 Ų083.9 Ų83.90%042%0.417CS..Hα-helixtrans-62.9-25.5-175.8-16562.7000112.3Y379 E779 F783 F786 C787 I790 Q797 Y798 E799Y379-I795 HydrophobicContact CD2-CD1 3.94Å; Y379-I795 HydrophobicContact CD2-CG1 4.43Å; Y379-I795 HydrophobicContact CE2-CD1 3.85Å; Y379-I795 HydrophobicContact CE2-CG1 3.96Å; E779-I795 HydrophobicContact CG-CG2 3.65Å; E779-I795 WeakPolarHBondContact OE1-CG2 3.47Å; F783-I795 HydrophobicContact CB-CB 4.3Å; F783-I795 HydrophobicContact CB-CG2 4.5Å; F783-I795 HydrophobicContact CD1-CB 4.26Å; F783-I795 HydrophobicContact CD1-CD1 4.11Å; F783-I795 HydrophobicContact CD1-CG1 4.08Å; F783-I795 HydrophobicContact CD2-CB 4.29Å; F783-I795 HydrophobicContact CD2-CG2 3.94Å; F783-I795 HydrophobicContact CE1-CD1 4.12Å; F783-I795 HydrophobicContact CE1-CG1 4.06Å; F783-I795 HydrophobicContact CE2-CG1 4.47Å; F783-I795 HydrophobicContact CE2-CG2 4.3Å; F783-I795 HydrophobicContact CG-CB 4.05Å; F783-I795 HydrophobicContact CG-CG1 4.31Å; F783-I795 HydrophobicContact CG-CG2 4.18Å; F783-I795 HydrophobicContact CZ-CG1 4.25Å; F786-I795 HydrophobicContact CD1-CD1 4.17Å; F786-I795 HydrophobicContact CE1-CD1 4.04Å; C787-I795 PolarHBondContact SG-N 2.85Å; I790-I795 HydrophobicContact CD1-CD1 4.19Å; I795-Q797 VanDerWaalsContact C-N 3.31Å; I795-Q797 PolarHBondContact O-N 3.5Å; I795-Y798 WeakPolarHBondContact O-CB 3.29Å; I795-Y798 PolarHBondContact O-N 2.95Å; I795-Y798 VanDerWaalsContact O-N 3.07Å; I795-E799 PolarHBondContact O-N 3.13Å; I795-E799 VanDerWaalsContact O-N 3.16Å
796R72.8Confident67.9Low62 Ų6280.3 Ų80.323%0.23441%0.405CS..Hα-helixtrans-60.4-34.6174.9-76.3170.7-87.5156.52113D776 E779 D780 N794 Y798 E799 D800D776-R796 VanDerWaalsContact CB-CZ 3.41Å; D776-R796 PolarHBondContact O-NH2 3.06Å; D776-R796 IonicContact OD1-CZ 3.79Å; D776-R796 IonicContact OD1-NE 2.86Å; D776-R796 IonicContact OD1-NH1 2.79Å; D776-R796 PolarHBondContact OD1-NH1 2.94Å; D776-R796 IonicContact OD2-CZ 2.84Å; D776-R796 IonicContact OD2-NH1 3.1Å; D776-R796 PolarHBondContact OD2-NH1 3.35Å; E779-R796 IonicContact OE2-NE 3.61Å; D780-R796 IonicContact OD1-CZ 2.85Å; D780-R796 IonicContact OD1-NH2 3.33Å; D780-R796 PolarHBondContact OD1-NH2 2.89Å; D780-R796 IonicContact OD2-NH2 2.75Å; D780-R796 PolarHBondContact OD2-NH2 2.93Å; N794-R796 PolarHBondContact O-N 3.11Å; N794-R796 VanDerWaalsContact O-N 3.13Å; R796-Y798 PolarHBondContact O-N 3.46Å; R796-E799 PolarHBondContact O-N 2.96Å; R796-D800 WeakPolarHBondContact O-CB 3.24Å; R796-D800 PolarHBondContact O-N 3.1Å
797Q69.6Low67.4Low82 Ų8288.7 Ų88.738%0.38344%0.436SS..Hα-helixtrans-61.4-33.2173.8-93.4-179.83.500112.9V792 E793 N794 I795V792-Q797 HydrophobicContact CB-CB 4.38Å; V792-Q797 HydrophobicContact CG1-CB 3.95Å; E793-Q797 PolarHBondContact OE2-NE2 3.4Å; N794-Q797 PolarHBondContact O-N 2.73Å; N794-Q797 VanDerWaalsContact O-N 3.07Å; N794-Q797 PolarHBondContact OD1-N 2.96Å; I795-Q797 VanDerWaalsContact C-N 3.31Å; I795-Q797 PolarHBondContact O-N 3.5Å
798Y67Low67.3Low71 Ų7194.1 Ų94.128%0.27846%0.461SS..Hα-helixtrans-75.3-44.8176.3178.5-99.8000111.1L371 I795 R796L371-Y798 HydrophobicContact CD1-CE1 3.81Å; L371-Y798 HydrophobicContact CD1-CE2 4.34Å; L371-Y798 WeakPolarHBondContact CD1-OH 3.39Å; I795-Y798 WeakPolarHBondContact O-CB 3.29Å; I795-Y798 PolarHBondContact O-N 2.95Å; I795-Y798 VanDerWaalsContact O-N 3.07Å; R796-Y798 PolarHBondContact O-N 3.46Å
799E66.3Low66.9Low62 Ų6292.7 Ų92.729%0.2944%0.444SS..Hα-helixtrans-71.6-38-177.5-64.8-166.2159.900113.9Y379 K383 I795 R796 R801Y379-E799 PolarHBondContact OH-OE1 3.39Å; K383-E799 IonicContact NZ-OE1 3.47Å; K383-E799 PolarHBondContact NZ-OE1 3.34Å; I795-E799 PolarHBondContact O-N 3.13Å; I795-E799 VanDerWaalsContact O-N 3.16Å; R796-E799 PolarHBondContact O-N 2.96Å; E799-R801 PolarHBondContact O-N 3.11Å
800D63.6Low66.8Low93 Ų9391.2 Ų91.250%0.49744%0.441SS..Hα-helixtrans-73.1-26.1-176.6-104.1-20.6000113.6R796R796-D800 WeakPolarHBondContact O-CB 3.24Å; R796-D800 PolarHBondContact O-N 3.1Å
801R63.4Low67Low197 Ų19796.3 Ų96.374%0.74346%0.458SS*.Hα-helixtrans-73.3-45.4-173.3-112-178.6173.6-173.6-1.4113.4E799 V805E799-R801 PolarHBondContact O-N 3.11Å; R801-V805 WeakPolarHBondContact O-CG2 3.46Å
802E59.7Low67.4Low128 Ų12896.9 Ų96.960%0.59844%0.441SS*.Hα-helixtrans-87.9-45-170.6-75.5-64.9123.300112.8
803L56.3Low67.8Low106 Ų106100.7 Ų100.756%0.55545%0.451SS*.Hα-helixtrans-80.8-29.3-167.7-105.1142.7000114.6
804R63.5Low68Low170 Ų17098.1 Ų98.164%0.64244%0.442SS*.Hα-helixtrans-79-41-174.8-125.2179.3-171.9-169.23.8112.7A806 R807 E808R804-A806 VanDerWaalsContact C-N 3.35Å; R804-A806 PolarHBondContact O-N 3.11Å; R804-R807 PolarHBondContact O-N 3.06Å; R804-E808 PolarHBondContact O-N 3.01Å
805V62Low68.5Low77 Ų77100.4 Ų100.447%0.46745%0.452SS..Hα-helixtrans-65.4-39.3-175.8179.80000111.2R801 R809R801-V805 WeakPolarHBondContact O-CG2 3.46Å; V805-R809 PolarHBondContact O-N 3.5Å
806A61.6Low69.1Low54 Ų54101.7 Ų101.745%0.44646%0.457SS..Hα-helixtrans-62.8-46.6177.400000112.4R804 E808 R809 D810R804-A806 VanDerWaalsContact C-N 3.35Å; R804-A806 PolarHBondContact O-N 3.11Å; A806-E808 PolarHBondContact O-N 3.18Å; A806-R809 WeakPolarHBondContact O-CB 3.49Å; A806-R809 PolarHBondContact O-N 3.32Å; A806-D810 PolarHBondContact O-N 3.18Å
807R66.1Low69.4Low181 Ų181101.7 Ų101.768%0.68346%0.464SS*.Hα-helixtrans-66.4-38.6-177.2-69-176.8-171177.24.5113.3R804 R809 R811R804-R807 PolarHBondContact O-N 3.06Å; R807-R809 VanDerWaalsContact C-N 3.33Å; R807-R811 PolarHBondContact O-N 3.18Å
808E70.2Confident69.9Low119 Ų119102 Ų10256%0.55647%0.469SS*.Hα-helixtrans-67.2-35.3177.2-80.3-161.8138.200112.6R804 A806 R811 K812R804-E808 PolarHBondContact O-N 3.01Å; A806-E808 PolarHBondContact O-N 3.18Å; E808-R811 PolarHBondContact O-N 3.24Å; E808-K812 PolarHBondContact O-N 2.98Å
809R69.5Low70.7Confident74 Ų74103 Ų10328%0.27948%0.476SS..Hα-helixtrans-61-47.8178-163.8-178.1-155.1152.36.7111.3Q358 S362 V805 A806 R807 R813Q358-R809 PolarHBondContact O-NH2 2.78Å; S362-R809 PolarHBondContact OG-NH1 2.85Å; S362-R809 PolarHBondContact OG-NH2 3.31Å; V805-R809 PolarHBondContact O-N 3.5Å; A806-R809 WeakPolarHBondContact O-CB 3.49Å; A806-R809 PolarHBondContact O-N 3.32Å; R807-R809 VanDerWaalsContact C-N 3.33Å; R809-R813 PolarHBondContact O-N 3.3Å
810D69.5Low71.6Confident104 Ų104100.9 Ų100.956%0.55647%0.467SS*.Hα-helixtrans-68.7-38.8-178.5-71.5-17.9000112.3A806 K812 R813 L814A806-D810 PolarHBondContact O-N 3.18Å; D810-K812 PolarHBondContact O-N 2.94Å; D810-R813 PolarHBondContact O-N 3.23Å; D810-L814 PolarHBondContact O-N 3.05Å
811R76.2Confident72.5Confident138 Ų138102 Ų10252%0.52147%0.469SS..Hα-helixtrans-58.1-50.4177.2-173.2-179.170.2129.8-6.8112R807 E808 R813 L814 E815R807-R811 PolarHBondContact O-N 3.18Å; E808-R811 PolarHBondContact O-N 3.24Å; R811-R813 PolarHBondContact O-N 3.34Å; R811-L814 PolarHBondContact O-N 3.29Å; R811-E815 IonicContact NH1-OE1 3.85Å; R811-E815 PolarHBondContact O-N 2.78Å; R811-E815 VanDerWaalsContact O-N 3.12Å
812K77.1Confident73.5Confident83 Ų83101.1 Ų101.136%0.36147%0.466SS..Hα-helixtrans-66.7-36.5-179.7-76.9-144.5-178-177.50112.8Y354 E808 D810 L814 E815 F816Y354-K812 HydrophobicContact CD2-CD 4.39Å; Y354-K812 HydrophobicContact CE1-CB 3.79Å; Y354-K812 HydrophobicContact CE1-CD 4.37Å; Y354-K812 HydrophobicContact CE2-CD 3.7Å; E808-K812 PolarHBondContact O-N 2.98Å; D810-K812 PolarHBondContact O-N 2.94Å; K812-L814 VanDerWaalsContact C-N 3.3Å; K812-L814 PolarHBondContact O-N 3.08Å; K812-E815 PolarHBondContact O-N 3.01Å; K812-F816 HydrophobicContact CB-CE2 4.41Å; K812-F816 WeakPolarHBondContact O-CD2 3.49Å; K812-F816 PolarHBondContact O-N 3.32Å; K812-F816 VanDerWaalsContact O-N 3.14Å
813R75.7Confident74.7Confident111 Ų11195.5 Ų95.542%0.41944%0.44SS..Hα-helixtrans-60.1-41.5174.3-93.6-175.8163.3176.8-4.6112E355 R809 D810 R811 T817E355-R813 IonicContact OE1-CZ 2.94Å; E355-R813 VanDerWaalsContact OE1-CZ 3.28Å; E355-R813 IonicContact OE1-NE 3.66Å; E355-R813 PolarHBondContact OE1-NE 2.78Å; E355-R813 IonicContact OE1-NH2 3.72Å; E355-R813 PolarHBondContact OE1-NH2 3.44Å; R809-R813 PolarHBondContact O-N 3.3Å; D810-R813 PolarHBondContact O-N 3.23Å; R811-R813 PolarHBondContact O-N 3.34Å; R813-T817 WeakPolarHBondContact O-CB 3.42Å; R813-T817 PolarHBondContact O-N 3.49Å; R813-T817 VanDerWaalsContact O-N 3.08Å; R813-T817 PolarHBondContact O-OG1 3.48Å
814L75.4Confident76.1Confident108 Ų10893 Ų9357%0.56543%0.426SS*.Hα-helixtrans-67.5-38.9178.6-166.769.8000111.9D810 R811 K812 T817 N818D810-L814 PolarHBondContact O-N 3.05Å; R811-L814 PolarHBondContact O-N 3.29Å; K812-L814 VanDerWaalsContact C-N 3.3Å; K812-L814 PolarHBondContact O-N 3.08Å; L814-T817 PolarHBondContact O-N 3.42Å; L814-N818 WeakPolarHBondContact O-CB 3.42Å; L814-N818 VanDerWaalsContact O-CG 3.28Å; L814-N818 PolarHBondContact O-N 3.14Å; L814-N818 PolarHBondContact O-ND2 3.32Å
815E81.4Confident76.9Confident89 Ų8989.6 Ų89.642%0.41642%0.421SS..Hα-helixtrans-60-49.2175.5-75.3172.6-174.200112.2R811 K812 T817 N818 Q819R811-E815 IonicContact NH1-OE1 3.85Å; R811-E815 PolarHBondContact O-N 2.78Å; R811-E815 VanDerWaalsContact O-N 3.12Å; K812-E815 PolarHBondContact O-N 3.01Å; E815-T817 PolarHBondContact O-N 3.26Å; E815-N818 PolarHBondContact O-N 3.48Å; E815-Q819 WeakPolarHBondContact O-CG 3.39Å; E815-Q819 PolarHBondContact O-N 3.06Å; E815-Q819 VanDerWaalsContact O-N 3.11Å
816F84.5Confident77.9Confident26 Ų2690 Ų9011%0.11442%0.418CS..Hα-helixtrans-62.4-43.2177-67.3-52.7000112.2I347 I350 Q351 Y354 K812 N818 Q819 L820I347-F816 HydrophobicContact CG2-CD1 4.35Å; I350-F816 HydrophobicContact CG2-CE1 3.6Å; I350-F816 HydrophobicContact CG2-CZ 3.75Å; Q351-F816 HydrophobicContact CB-CB 4.25Å; Q351-F816 HydrophobicContact CB-CD2 4.27Å; Q351-F816 HydrophobicContact CB-CG 4.14Å; Q351-F816 HydrophobicContact CG-CB 4.18Å; Q351-F816 HydrophobicContact CG-CD2 4.23Å; Q351-F816 HydrophobicContact CG-CG 4.34Å; Y354-F816 AromaticContact CD1-CE2 3.92Å; Y354-F816 HydrophobicContact CD1-CE2 3.92Å; Y354-F816 AromaticContact CG-CE2 4Å; Y354-F816 HydrophobicContact CG-CE2 4Å; K812-F816 HydrophobicContact CB-CE2 4.41Å; K812-F816 WeakPolarHBondContact O-CD2 3.49Å; K812-F816 PolarHBondContact O-N 3.32Å; K812-F816 VanDerWaalsContact O-N 3.14Å; F816-N818 VanDerWaalsContact C-N 3.33Å; F816-N818 PolarHBondContact O-N 2.99Å; F816-Q819 PolarHBondContact O-N 3.49Å; F816-L820 WeakPolarHBondContact O-CG 3.36Å; F816-L820 PolarHBondContact O-N 2.94Å
817T79.1Confident79.1Confident62 Ų6287.7 Ų87.738%0.3840%0.398SS..Hα-helixtrans-60-43.2178.9-55.40000111.7R813 L814 E815 Q821R813-T817 WeakPolarHBondContact O-CB 3.42Å; R813-T817 PolarHBondContact O-N 3.49Å; R813-T817 VanDerWaalsContact O-N 3.08Å; R813-T817 PolarHBondContact O-OG1 3.48Å; L814-T817 PolarHBondContact O-N 3.42Å; E815-T817 PolarHBondContact O-N 3.26Å; T817-Q821 PolarHBondContact O-N 3.39Å
818N79.7Confident79.8Confident89 Ų8984.6 Ų84.648%0.47639%0.391SS..Hα-helixtrans-67.4-38.7179-73.9-26.5000112.5L814 E815 F816 R822L814-N818 WeakPolarHBondContact O-CB 3.42Å; L814-N818 VanDerWaalsContact O-CG 3.28Å; L814-N818 PolarHBondContact O-N 3.14Å; L814-N818 PolarHBondContact O-ND2 3.32Å; E815-N818 PolarHBondContact O-N 3.48Å; F816-N818 VanDerWaalsContact C-N 3.33Å; F816-N818 PolarHBondContact O-N 2.99Å; N818-R822 PolarHBondContact O-N 3.47Å; N818-R822 VanDerWaalsContact O-N 3.09Å
819Q84Confident80.4Confident92 Ų9285.7 Ų85.743%0.4339%0.391SS..Hα-helixtrans-65.1-46.4176.2-74.4-179.6-11.600111.4I347 E815 F816 Q821 R822 I823I347-Q819 HydrophobicContact CG2-CB 4.26Å; E815-Q819 WeakPolarHBondContact O-CG 3.39Å; E815-Q819 PolarHBondContact O-N 3.06Å; E815-Q819 VanDerWaalsContact O-N 3.11Å; F816-Q819 PolarHBondContact O-N 3.49Å; Q819-Q821 PolarHBondContact O-N 3.5Å; Q819-R822 PolarHBondContact O-N 3.43Å; Q819-I823 WeakPolarHBondContact O-CG1 3.36Å; Q819-I823 PolarHBondContact O-N 3.47Å; Q819-I823 VanDerWaalsContact O-N 3.08Å
820L85.6Confident81Confident18 Ų1883.5 Ų83.59%0.09438%0.384CS..Hα-helixtrans-62.6-41.6177.6-71.3173.3000112.2Y344 I347 F816 R822 I823 N824Y344-L820 HydrophobicContact CD1-CD2 4.4Å; Y344-L820 HydrophobicContact CD2-CD2 3.71Å; Y344-L820 HydrophobicContact CE1-CD2 4.32Å; Y344-L820 HydrophobicContact CE2-CB 4.05Å; Y344-L820 HydrophobicContact CE2-CD2 3.63Å; Y344-L820 HydrophobicContact CE2-CG 4.4Å; Y344-L820 HydrophobicContact CG-CD2 4.1Å; I347-L820 HydrophobicContact CB-CD2 3.94Å; I347-L820 HydrophobicContact CG2-CD2 3.76Å; I347-L820 HydrophobicContact CG2-CG 3.85Å; F816-L820 WeakPolarHBondContact O-CG 3.36Å; F816-L820 PolarHBondContact O-N 2.94Å; L820-R822 PolarHBondContact O-N 3.42Å; L820-I823 PolarHBondContact O-N 2.83Å; L820-N824 VanDerWaalsContact O-CB 3.24Å; L820-N824 WeakPolarHBondContact O-CB 3.34Å; L820-N824 PolarHBondContact O-N 3.02Å
821Q82Confident81.7Confident117 Ų11785.8 Ų85.855%0.54739%0.385SS..Hα-helixtrans-62.7-40.3175.1-85.4-167.8-19.700112.5T817 Q819 N824 N825T817-Q821 PolarHBondContact O-N 3.39Å; Q819-Q821 PolarHBondContact O-N 3.5Å; Q821-N824 PolarHBondContact O-N 3.11Å; Q821-N825 PolarHBondContact O-N 3.4Å; Q821-N825 PolarHBondContact O-OD1 3.27Å
822R84.8Confident82Confident178 Ų17883.3 Ų83.367%0.67239%0.389SS*.Hα-helixtrans-62.6-47.9178.3-179-178.2172.4-171.6-2.6111.7N818 Q819 L820 N824 N825 Q826N818-R822 PolarHBondContact O-N 3.47Å; N818-R822 VanDerWaalsContact O-N 3.09Å; Q819-R822 PolarHBondContact O-N 3.43Å; L820-R822 PolarHBondContact O-N 3.42Å; R822-N824 VanDerWaalsContact C-N 3.34Å; R822-N825 PolarHBondContact O-N 3.1Å; R822-Q826 PolarHBondContact O-N 3.49Å
823I84.7Confident82.2Confident10 Ų1084.5 Ų84.55%0.05139%0.391CS..Hα-helixtrans-65.7-40.6178.4-61.7166.9000109.9L340 E343 Y344 I347 Q819 L820 N825 Q826 L827L340-I823 HydrophobicContact CB-CG2 4.44Å; L340-I823 HydrophobicContact CD2-CG2 4.41Å; L340-I823 WeakPolarHBondContact O-CG2 3.29Å; E343-I823 HydrophobicContact CB-CD1 4.38Å; E343-I823 HydrophobicContact CG-CD1 3.88Å; Y344-I823 HydrophobicContact CD2-CB 4.35Å; Y344-I823 HydrophobicContact CD2-CG2 4.17Å; I347-I823 HydrophobicContact CG1-CD1 4.22Å; Q819-I823 WeakPolarHBondContact O-CG1 3.36Å; Q819-I823 PolarHBondContact O-N 3.47Å; Q819-I823 VanDerWaalsContact O-N 3.08Å; L820-I823 PolarHBondContact O-N 2.83Å; I823-N825 PolarHBondContact O-N 3.12Å; I823-Q826 PolarHBondContact O-N 3.25Å; I823-L827 HydrophobicContact CG2-CD1 4.07Å; I823-L827 WeakPolarHBondContact O-CB 3.28Å; I823-L827 PolarHBondContact O-N 3.02Å
824N85Confident82.4Confident52 Ų5284.7 Ų84.728%0.27840%0.4SS..Hα-helixtrans-61.6-42.2177-170.267000112.7Y344 L820 Q821 R822 Q826 L827 E828Y344-N824 HydrophobicContact CE2-CB 4.26Å; L820-N824 VanDerWaalsContact O-CB 3.24Å; L820-N824 WeakPolarHBondContact O-CB 3.34Å; L820-N824 PolarHBondContact O-N 3.02Å; Q821-N824 PolarHBondContact O-N 3.11Å; R822-N824 VanDerWaalsContact C-N 3.34Å; N824-Q826 VanDerWaalsContact C-N 3.31Å; N824-Q826 PolarHBondContact O-N 3.09Å; N824-L827 WeakPolarHBondContact O-CB 3.26Å; N824-L827 PolarHBondContact O-N 3.36Å; N824-E828 PolarHBondContact ND2-OE1 3.23Å; N824-E828 WeakPolarHBondContact O-CG 3.42Å; N824-E828 PolarHBondContact O-N 3.38Å
825N80.9Confident82.8Confident99 Ų9980.5 Ų80.553%0.52938%0.379SS..Hα-helixtrans-65.1-34.8176.8-69.1-8.5000112.1Q821 R822 I823 Y829Q821-N825 PolarHBondContact O-N 3.4Å; Q821-N825 PolarHBondContact O-OD1 3.27Å; R822-N825 PolarHBondContact O-N 3.1Å; I823-N825 PolarHBondContact O-N 3.12Å; N825-Y829 PolarHBondContact O-N 3.02Å; N825-Y829 VanDerWaalsContact O-N 3.1Å
826Q83.2Confident83Confident85 Ų8580.6 Ų80.640%0.39738%0.38SS..Hα-helixtrans-69.3-41.3173.2-72.7179.7-42.700111.7L340 R822 I823 N824 Y829 E830L340-Q826 HydrophobicContact CD1-CB 4.21Å; L340-Q826 HydrophobicContact CD2-CB 4.36Å; R822-Q826 PolarHBondContact O-N 3.49Å; I823-Q826 PolarHBondContact O-N 3.25Å; N824-Q826 VanDerWaalsContact C-N 3.31Å; N824-Q826 PolarHBondContact O-N 3.09Å; Q826-Y829 PolarHBondContact O-N 3.44Å; Q826-E830 PolarHBondContact O-N 3.43Å
827L85.8Confident83Confident6 Ų681.4 Ų81.43%0.03139%0.392CS..Hα-helixtrans-59.7-44.5172.8-97.2157.6000112.1I337 L340 E341 I823 N824 Y829 R831I337-L827 HydrophobicContact CG2-CD2 4.14Å; L340-L827 HydrophobicContact CB-CD1 4.25Å; L340-L827 HydrophobicContact CB-CD2 4.26Å; L340-L827 HydrophobicContact CB-CG 3.87Å; E341-L827 HydrophobicContact CG-CD1 4.33Å; E341-L827 HydrophobicContact CG-CD2 3.68Å; I823-L827 HydrophobicContact CG2-CD1 4.07Å; I823-L827 WeakPolarHBondContact O-CB 3.28Å; I823-L827 PolarHBondContact O-N 3.02Å; N824-L827 WeakPolarHBondContact O-CB 3.26Å; N824-L827 PolarHBondContact O-N 3.36Å; L827-Y829 VanDerWaalsContact C-N 3.34Å; L827-R831 WeakPolarHBondContact O-CB 3.4Å; L827-R831 WeakPolarHBondContact O-CG 3.27Å; L827-R831 PolarHBondContact O-N 3.48Å
828E82.4Confident83.3Confident116 Ų11681.9 Ų81.954%0.54239%0.392SS..Hα-helixtrans-62.8-40.8176.1-78.3179.8-17100111.9N824 S832N824-E828 PolarHBondContact ND2-OE1 3.23Å; N824-E828 WeakPolarHBondContact O-CG 3.42Å; N824-E828 PolarHBondContact O-N 3.38Å; E828-S832 WeakPolarHBondContact O-CB 3.43Å; E828-S832 PolarHBondContact O-N 3.37Å; E828-S832 VanDerWaalsContact O-N 3.08Å
829Y81.9Confident83.6Confident143 Ų14378.1 Ų78.156%0.56137%0.372SS*.Hα-helixtrans-64-50.8176.2178.4-99.6000112.1N825 Q826 L827 S832N825-Y829 PolarHBondContact O-N 3.02Å; N825-Y829 VanDerWaalsContact O-N 3.1Å; Q826-Y829 PolarHBondContact O-N 3.44Å; L827-Y829 VanDerWaalsContact C-N 3.34Å; Y829-S832 WeakPolarHBondContact O-CB 3.47Å; Y829-S832 PolarHBondContact O-N 2.97Å; Y829-S832 VanDerWaalsContact O-N 3.16Å; Y829-S832 PolarHBondContact O-OG 2.95Å
830E83.3Confident83.8Confident27 Ų2778.4 Ų78.413%0.12637%0.372CS..Hα-helixtrans-66.5-42.3179.7-69.9-55144.700111.1H333 I337 L340 Q826 S832 R833H333-E830 PolarHBondContact CE1-O 3.01Å; H333-E830 IonicContact CE1-OE2 3.58Å; H333-E830 PolarHBondContact CE1-OE2 3.05Å; H333-E830 IonicContact ND1-OE2 2.78Å; H333-E830 PolarHBondContact ND1-OE2 3.43Å; H333-E830 VanDerWaalsContact ND1-OE2 3.14Å; H333-E830 PolarHBondContact NE2-O 2.67Å; I337-E830 HydrophobicContact CG1-CB 4.09Å; L340-E830 HydrophobicContact CD1-CG 4.4Å; Q826-E830 PolarHBondContact O-N 3.43Å; E830-S832 PolarHBondContact O-N 3.37Å; E830-S832 VanDerWaalsContact O-N 3.09Å; E830-R833 PolarHBondContact O-N 3.5Å; E830-R833 IonicContact OE1-NH1 3.35Å; E830-R833 WeakPolarHBondContact OE2-CD 3.47Å; E830-R833 IonicContact OE2-CZ 3.83Å; E830-R833 IonicContact OE2-NH1 2.98Å; E830-R833 PolarHBondContact OE2-NH1 3Å; E830-R833 VanDerWaalsContact OE2-NH1 3.07Å
831R84Confident83.9Confident152 Ų15285.7 Ų85.757%0.57440%0.398SS*.Hα-helixtrans-60.1-23.6174.4-73.9173.4171.5-176.8-1.7113.6I337 E341 L827 R833I337-R831 HydrophobicContact CD1-CG 4.49Å; E341-R831 IonicContact OE1-CZ 2.91Å; E341-R831 IonicContact OE1-NE 3.56Å; E341-R831 IonicContact OE1-NH2 3.49Å; E341-R831 PolarHBondContact OE1-NH2 2.98Å; L827-R831 WeakPolarHBondContact O-CB 3.4Å; L827-R831 WeakPolarHBondContact O-CG 3.27Å; L827-R831 PolarHBondContact O-N 3.48Å; R831-R833 VanDerWaalsContact C-N 3.33Å
832S81.1Confident84.3Confident87 Ų8783.7 Ų83.761%0.60839%0.386SS*.THydrogen-bonded Turntrans-77.2-15.3176.279.50000114.1E828 Y829 E830 D834E828-S832 WeakPolarHBondContact O-CB 3.43Å; E828-S832 PolarHBondContact O-N 3.37Å; E828-S832 VanDerWaalsContact O-N 3.08Å; Y829-S832 WeakPolarHBondContact O-CB 3.47Å; Y829-S832 PolarHBondContact O-N 2.97Å; Y829-S832 VanDerWaalsContact O-N 3.16Å; Y829-S832 PolarHBondContact O-OG 2.95Å; E830-S832 PolarHBondContact O-N 3.37Å; E830-S832 VanDerWaalsContact O-N 3.09Å; S832-D834 PolarHBondContact O-N 3.07Å
833R81.8Confident84.5Confident108 Ų10878.8 Ų78.841%0.40837%0.37SS..  trans-85106.9-178.9-71.3175.473.1-164.35.6111.2H333 E830 R831 T835H333-R833 PolarHBondContact NE2-O 3.24Å; E830-R833 PolarHBondContact O-N 3.5Å; E830-R833 IonicContact OE1-NH1 3.35Å; E830-R833 WeakPolarHBondContact OE2-CD 3.47Å; E830-R833 IonicContact OE2-CZ 3.83Å; E830-R833 IonicContact OE2-NH1 2.98Å; E830-R833 PolarHBondContact OE2-NH1 3Å; E830-R833 VanDerWaalsContact OE2-NH1 3.07Å; R831-R833 VanDerWaalsContact C-N 3.33Å; R833-T835 VanDerWaalsContact C-N 3.33Å; R833-T835 PolarHBondContact O-N 2.8Å
834D80.3Confident84.7Confident114 Ų11484.7 Ų84.761%0.6140%0.398SS*.  trans-77.579.4176.9-169.5-1.5000112.3S832 E836 A837S832-D834 PolarHBondContact O-N 3.07Å; D834-E836 VanDerWaalsContact C-N 3.34Å; D834-E836 PolarHBondContact OD1-N 3.03Å; D834-A837 VanDerWaalsContact CG-CB 3.46Å; D834-A837 WeakPolarHBondContact OD1-CB 3.33Å; D834-A837 PolarHBondContact OD1-N 2.97Å; D834-A837 WeakPolarHBondContact OD2-CB 3.47Å
835T83.3Confident84.8Confident20 Ų2084.4 Ų84.412%0.12340%0.398CS..  trans-77.8-21.7171.654.90000112.4H330 H333 R833 N838 V839H330-T835 PolarHBondContact ND1-OG1 3.16Å; H333-T835 HydrophobicContact CB-CG2 4.31Å; H333-T835 PolarHBondContact CD2-OG1 3.16Å; R833-T835 VanDerWaalsContact C-N 3.33Å; R833-T835 PolarHBondContact O-N 2.8Å; T835-N838 PolarHBondContact O-N 3.07Å; T835-V839 PolarHBondContact O-N 3.38Å
836E86.6Confident85.2Confident91 Ų9180.4 Ų80.443%0.42538%0.377SS..Hα-helixtrans-70.4-38.4-178.6-164.4-167.8167.700111.7D834 N838 V839 K840D834-E836 VanDerWaalsContact C-N 3.34Å; D834-E836 PolarHBondContact OD1-N 3.03Å; E836-N838 PolarHBondContact O-N 3.11Å; E836-V839 WeakPolarHBondContact O-CA 3.48Å; E836-V839 WeakPolarHBondContact O-CB 3.47Å; E836-V839 PolarHBondContact O-N 3.17Å; E836-K840 HydrophobicContact CG-CD 4.49Å; E836-K840 PolarHBondContact O-N 2.79Å; E836-K840 WeakPolarHBondContact OE1-CE 3.19Å; E836-K840 IonicContact OE1-NZ 3.89Å; E836-K840 PolarHBondContact OE1-NZ 3.49Å; E836-K840 IonicContact OE2-NZ 2.86Å; E836-K840 PolarHBondContact OE2-NZ 2.78Å
837A84.5Confident85.6Confident44 Ų4480 Ų8036%0.36438%0.384SS..Hα-helixtrans-58.1-36.3176.500000112.9D834 K840 R841D834-A837 VanDerWaalsContact CG-CB 3.46Å; D834-A837 WeakPolarHBondContact OD1-CB 3.33Å; D834-A837 PolarHBondContact OD1-N 2.97Å; D834-A837 WeakPolarHBondContact OD2-CB 3.47Å; A837-K840 PolarHBondContact O-N 3.28Å; A837-R841 WeakPolarHBondContact O-CB 3.21Å; A837-R841 PolarHBondContact O-N 3.2Å
838N83.8Confident85.7Confident71 Ų7184.3 Ų84.338%0.3841%0.41SS..Hα-helixtrans-70.3-37.8176.7-160.124.2000111.3T835 E836 W842T835-N838 PolarHBondContact O-N 3.07Å; E836-N838 PolarHBondContact O-N 3.11Å; N838-W842 PolarHBondContact O-N 3.32Å; N838-W842 VanDerWaalsContact O-N 3.16Å; N838-W842 PolarHBondContact OD1-NE1 3.02Å
839V87.1Confident86Confident11 Ų1180.1 Ų80.17%0.06739%0.391CS..Hα-helixtrans-61.5-51.6171.9177.90000110.2L323 A326 R327 H330 T835 E836 R841 W842 E843L323-V839 HydrophobicContact CD1-CG1 4.15Å; A326-V839 HydrophobicContact CB-CG2 4.12Å; R327-V839 HydrophobicContact CG-CG1 4.11Å; H330-V839 HydrophobicContact CB-CG2 3.78Å; T835-V839 PolarHBondContact O-N 3.38Å; E836-V839 WeakPolarHBondContact O-CA 3.48Å; E836-V839 WeakPolarHBondContact O-CB 3.47Å; E836-V839 PolarHBondContact O-N 3.17Å; V839-R841 VanDerWaalsContact C-N 3.32Å; V839-R841 PolarHBondContact O-N 2.83Å; V839-W842 PolarHBondContact O-N 3.47Å; V839-W842 VanDerWaalsContact O-N 3.12Å; V839-E843 HydrophobicContact CG1-CG 4.13Å; V839-E843 WeakPolarHBondContact O-CG 3.46Å; V839-E843 PolarHBondContact O-N 2.88Å
840K88Confident86.4Confident98 Ų9879.9 Ų79.943%0.42639%0.388SS..Hα-helixtrans-54.6-45.1177.9-76.9174.2179.1154.90112.3E836 A837 W842 E843 E844E836-K840 HydrophobicContact CG-CD 4.49Å; E836-K840 PolarHBondContact O-N 2.79Å; E836-K840 WeakPolarHBondContact OE1-CE 3.19Å; E836-K840 IonicContact OE1-NZ 3.89Å; E836-K840 PolarHBondContact OE1-NZ 3.49Å; E836-K840 IonicContact OE2-NZ 2.86Å; E836-K840 PolarHBondContact OE2-NZ 2.78Å; A837-K840 PolarHBondContact O-N 3.28Å; K840-W842 PolarHBondContact O-N 2.82Å; K840-E843 PolarHBondContact O-N 3.28Å; K840-E844 WeakPolarHBondContact O-CG 3.15Å; K840-E844 PolarHBondContact O-N 3.45Å
841R87.6Confident86.7Confident171 Ų17181.4 Ų81.465%0.64541%0.406SS*.Hα-helixtrans-59.9-44.5177.4-175.8-179.4-178.9172.71.9112.8A837 V839 T845A837-R841 WeakPolarHBondContact O-CB 3.21Å; A837-R841 PolarHBondContact O-N 3.2Å; V839-R841 VanDerWaalsContact C-N 3.32Å; V839-R841 PolarHBondContact O-N 2.83Å; R841-T845 WeakPolarHBondContact O-CB 3.47Å; R841-T845 PolarHBondContact O-N 3.02Å; R841-T845 PolarHBondContact O-OG1 2.98Å
842W89.6Confident86.9Confident75 Ų7578.5 Ų78.528%0.28440%0.399SS..Hα-helixtrans-73.1-33177.4-74.8115.3000112.1L323 N838 V839 K840 T845 V846L323-W842 HydrophobicContact CB-CB 4.04Å; L323-W842 HydrophobicContact CD1-CB 3.96Å; N838-W842 PolarHBondContact O-N 3.32Å; N838-W842 VanDerWaalsContact O-N 3.16Å; N838-W842 PolarHBondContact OD1-NE1 3.02Å; V839-W842 PolarHBondContact O-N 3.47Å; V839-W842 VanDerWaalsContact O-N 3.12Å; K840-W842 PolarHBondContact O-N 2.82Å; W842-T845 HydrophobicContact CE3-CG2 4.38Å; W842-T845 HydrophobicContact CZ3-CG2 4.38Å; W842-T845 PolarHBondContact O-N 3.23Å; W842-V846 VanDerWaalsContact O-CB 3.32Å; W842-V846 WeakPolarHBondContact O-CB 3.33Å; W842-V846 WeakPolarHBondContact O-CG2 3.24Å; W842-V846 PolarHBondContact O-N 3.49Å
843E89Confident87.2Confident75 Ų7575.1 Ų75.135%0.3537%0.374SS..Hα-helixtrans-63.4-44.7172.6-72.8-173.5156.500111.8L323 R327 V839 K840 V846 S847L323-E843 HydrophobicContact CD1-CG 3.47Å; L323-E843 VanDerWaalsContact CD1-CG 3.47Å; L323-E843 HydrophobicContact CD2-CG 4.07Å; L323-E843 HydrophobicContact CG-CG 4.43Å; R327-E843 IonicContact CZ-OE1 2.68Å; R327-E843 IonicContact NE-OE1 3.28Å; R327-E843 PolarHBondContact NE-OE1 3.4Å; R327-E843 IonicContact NH2-OE1 2.88Å; R327-E843 PolarHBondContact NH2-OE1 3.16Å; V839-E843 HydrophobicContact CG1-CG 4.13Å; V839-E843 WeakPolarHBondContact O-CG 3.46Å; V839-E843 PolarHBondContact O-N 2.88Å; K840-E843 PolarHBondContact O-N 3.28Å; E843-V846 PolarHBondContact O-N 3.3Å; E843-S847 WeakPolarHBondContact O-CB 3.36Å; E843-S847 PolarHBondContact O-N 3.17Å
844E88.8Confident87.6Confident133 Ų13373.2 Ų73.262%0.62137%0.371SS*.Hα-helixtrans-60.1-46.9173.1-75.1176.9-179.700111.2K840 V846 S847 V848K840-E844 WeakPolarHBondContact O-CG 3.15Å; K840-E844 PolarHBondContact O-N 3.45Å; E844-V846 PolarHBondContact O-N 3.23Å; E844-S847 WeakPolarHBondContact O-CB 3.37Å; E844-S847 PolarHBondContact O-N 2.93Å; E844-V848 VanDerWaalsContact O-CG2 3.3Å; E844-V848 WeakPolarHBondContact O-CG2 3.21Å; E844-V848 PolarHBondContact O-N 3.46Å
845T87.5Confident88Confident46 Ų4674 Ų7428%0.28237%0.37SS..Hα-helixtrans-61.1-47.7179-55.70000111.3R841 W842 S847 V848 E849R841-T845 WeakPolarHBondContact O-CB 3.47Å; R841-T845 PolarHBondContact O-N 3.02Å; R841-T845 PolarHBondContact O-OG1 2.98Å; W842-T845 HydrophobicContact CE3-CG2 4.38Å; W842-T845 HydrophobicContact CZ3-CG2 4.38Å; W842-T845 PolarHBondContact O-N 3.23Å; T845-S847 VanDerWaalsContact C-N 3.3Å; T845-S847 PolarHBondContact O-N 3.46Å; T845-V848 PolarHBondContact O-N 2.98Å; T845-E849 WeakPolarHBondContact O-CB 3.28Å; T845-E849 WeakPolarHBondContact O-CG 3.49Å; T845-E849 PolarHBondContact O-N 3.45Å
846V90.3Very high88.2Confident16 Ų1673.3 Ų73.310%0.09737%0.365CS..Hα-helixtrans-63.3-36.8177.3168.80000111.4L323 W842 E843 E844 R850L323-V846 HydrophobicContact CB-CG2 4.18Å; L323-V846 HydrophobicContact CD2-CB 4.34Å; L323-V846 HydrophobicContact CD2-CG1 4.39Å; L323-V846 HydrophobicContact CD2-CG2 4.07Å; W842-V846 VanDerWaalsContact O-CB 3.32Å; W842-V846 WeakPolarHBondContact O-CB 3.33Å; W842-V846 WeakPolarHBondContact O-CG2 3.24Å; W842-V846 PolarHBondContact O-N 3.49Å; E843-V846 PolarHBondContact O-N 3.3Å; E844-V846 PolarHBondContact O-N 3.23Å; V846-R850 WeakPolarHBondContact O-CB 3.32Å; V846-R850 PolarHBondContact O-N 3.47Å
847S90.3Very high88.2Confident77 Ų7773.5 Ų73.554%0.53837%0.365SS..Hα-helixtrans-66.8-46.5176.5-174.70000111.9E843 E844 T845 R850 A851E843-S847 WeakPolarHBondContact O-CB 3.36Å; E843-S847 PolarHBondContact O-N 3.17Å; E844-S847 WeakPolarHBondContact O-CB 3.37Å; E844-S847 PolarHBondContact O-N 2.93Å; T845-S847 VanDerWaalsContact C-N 3.3Å; T845-S847 PolarHBondContact O-N 3.46Å; S847-R850 PolarHBondContact O-N 3.36Å; S847-A851 WeakPolarHBondContact O-CB 3.33Å; S847-A851 PolarHBondContact O-N 3.04Å
848V89.1Confident88.4Confident96 Ų9679.2 Ų79.258%0.58238%0.381SS*.Hα-helixtrans-62.5-48.4177171.30000110.8E844 T845 R850 A851 E852E844-V848 VanDerWaalsContact O-CG2 3.3Å; E844-V848 WeakPolarHBondContact O-CG2 3.21Å; E844-V848 PolarHBondContact O-N 3.46Å; T845-V848 PolarHBondContact O-N 2.98Å; V848-R850 VanDerWaalsContact C-N 3.33Å; V848-R850 PolarHBondContact O-N 3.5Å; V848-A851 PolarHBondContact O-N 2.99Å; V848-E852 PolarHBondContact O-N 3.42Å
849E88.8Confident88.6Confident28 Ų2879.8 Ų79.813%0.13138%0.382CS..Hα-helixtrans-65.9-35.2178.4-70.7-179.3159.800112.2H316 S319 T845 E852 M853H316-E849 WeakPolarHBondContact CA-OE2 3.28Å; H316-E849 HydrophobicContact CB-CB 4.39Å; S319-E849 WeakPolarHBondContact CB-OE2 3.34Å; S319-E849 VanDerWaalsContact OG-CD 3.3Å; S319-E849 PolarHBondContact OG-OE1 2.94Å; S319-E849 PolarHBondContact OG-OE2 3.41Å; T845-E849 WeakPolarHBondContact O-CB 3.28Å; T845-E849 WeakPolarHBondContact O-CG 3.49Å; T845-E849 PolarHBondContact O-N 3.45Å; E849-E852 PolarHBondContact O-N 2.88Å; E849-M853 VanDerWaalsContact O-CB 3.31Å; E849-M853 WeakPolarHBondContact O-CB 3.41Å; E849-M853 PolarHBondContact O-N 3.43Å
850R90.1Very high88.8Confident137 Ų13781.8 Ų81.852%0.51739%0.39SS..Hα-helixtrans-64.2-45.3172.1176.5178.2-82-165.1-4.4111.1V846 S847 V848 E852 M853 D854V846-R850 WeakPolarHBondContact O-CB 3.32Å; V846-R850 PolarHBondContact O-N 3.47Å; S847-R850 PolarHBondContact O-N 3.36Å; V848-R850 VanDerWaalsContact C-N 3.33Å; V848-R850 PolarHBondContact O-N 3.5Å; R850-E852 VanDerWaalsContact C-N 3.29Å; R850-E852 PolarHBondContact O-N 3.29Å; R850-M853 HydrophobicContact CG-CE 4.24Å; R850-M853 WeakPolarHBondContact O-CB 3.44Å; R850-M853 PolarHBondContact O-N 3.17Å; R850-D854 WeakPolarHBondContact O-CB 3.32Å; R850-D854 PolarHBondContact O-N 3.2Å
851A89.9Confident88.8Confident60 Ų6083.5 Ų83.550%0.49640%0.398SS..Hα-helixtrans-61.8-39.2177.700000111.6S847 V848 K855S847-A851 WeakPolarHBondContact O-CB 3.33Å; S847-A851 PolarHBondContact O-N 3.04Å; V848-A851 PolarHBondContact O-N 2.99Å; A851-K855 WeakPolarHBondContact O-CB 3.47Å; A851-K855 PolarHBondContact O-N 2.96Å
852E88.1Confident88.9Confident91 Ų9181.4 Ų81.443%0.42539%0.393SS..Hα-helixtrans-67.7-41.5174.3-169.8170-161.100112.1V312 V848 E849 R850 K855 C856V312-E852 HydrophobicContact CG1-CB 4.19Å; V312-E852 HydrophobicContact CG1-CG 4.23Å; V312-E852 HydrophobicContact CG2-CG 4.2Å; V848-E852 PolarHBondContact O-N 3.42Å; E849-E852 PolarHBondContact O-N 2.88Å; R850-E852 VanDerWaalsContact C-N 3.29Å; R850-E852 PolarHBondContact O-N 3.29Å; E852-K855 WeakPolarHBondContact O-CB 3.31Å; E852-K855 PolarHBondContact O-N 3.35Å; E852-C856 PolarHBondContact O-N 3.11Å; E852-C856 PolarHBondContact O-SG 3.46Å
853M87.7Confident88.8Confident16 Ų1678.7 Ų78.78%0.07938%0.384CS..Hα-helixtrans-60.3-46.8173.9-177-17054.300111L309 V312 E849 R850 K855 C856 K857L309-M853 HydrophobicContact CD1-CG 3.82Å; V312-M853 HydrophobicContact CG1-CB 3.88Å; E849-M853 VanDerWaalsContact O-CB 3.31Å; E849-M853 WeakPolarHBondContact O-CB 3.41Å; E849-M853 PolarHBondContact O-N 3.43Å; R850-M853 HydrophobicContact CG-CE 4.24Å; R850-M853 WeakPolarHBondContact O-CB 3.44Å; R850-M853 PolarHBondContact O-N 3.17Å; M853-K855 VanDerWaalsContact C-N 3.32Å; M853-K855 PolarHBondContact O-N 3.23Å; M853-C856 PolarHBondContact O-N 3.49Å; M853-K857 HydrophobicContact CG-CD 4.37Å; M853-K857 WeakPolarHBondContact O-CG 3.47Å; M853-K857 PolarHBondContact O-N 2.88Å
854D88.8Confident88.8Confident67 Ų6780.3 Ų80.336%0.35839%0.39SS..Hα-helixtrans-67.1-34.7179.5-73.3-18.7000111.6R850 K857 K858R850-D854 WeakPolarHBondContact O-CB 3.32Å; R850-D854 PolarHBondContact O-N 3.2Å; D854-K857 PolarHBondContact O-N 3.24Å; D854-K858 WeakPolarHBondContact O-CB 3.17Å; D854-K858 VanDerWaalsContact O-CG 3.28Å; D854-K858 WeakPolarHBondContact O-CG 3.41Å; D854-K858 PolarHBondContact O-N 2.93Å
855K88.9Confident88.8Confident132 Ų13278.1 Ų78.157%0.57438%0.38SS*.Hα-helixtrans-62.6-46.8171.1-174.4-177.6179.8-176.60111.1A851 E852 M853 K858 Q859A851-K855 WeakPolarHBondContact O-CB 3.47Å; A851-K855 PolarHBondContact O-N 2.96Å; E852-K855 WeakPolarHBondContact O-CB 3.31Å; E852-K855 PolarHBondContact O-N 3.35Å; M853-K855 VanDerWaalsContact C-N 3.32Å; M853-K855 PolarHBondContact O-N 3.23Å; K855-K858 PolarHBondContact O-N 3.32Å; K855-Q859 WeakPolarHBondContact O-CB 3.42Å; K855-Q859 WeakPolarHBondContact O-CG 3.25Å; K855-Q859 PolarHBondContact O-N 2.87Å
856C87.6Confident88.9Confident4 Ų478.4 Ų78.43%0.02738%0.378CS..Hα-helixtrans-63.4-42.8176.7-660000111.6V305 L309 E852 M853 Q859 E860V305-C856 WeakPolarHBondContact CG1-O 3.25Å; L309-C856 HydrophobicContact CB-CB 4.19Å; L309-C856 HydrophobicContact CD1-CB 4.04Å; E852-C856 PolarHBondContact O-N 3.11Å; E852-C856 PolarHBondContact O-SG 3.46Å; M853-C856 PolarHBondContact O-N 3.49Å; C856-Q859 PolarHBondContact O-N 2.74Å; C856-E860 WeakPolarHBondContact O-CB 3.42Å; C856-E860 PolarHBondContact O-N 3.45Å
857K87Confident88.7Confident96 Ų9679.4 Ų79.442%0.41738%0.382SS..Hα-helixtrans-61.5-43.5174.7-76.4178.6179.81710112.6L309 M853 D854 Q859 E860 K861L309-K857 HydrophobicContact CD1-CG 3.66Å; L309-K857 HydrophobicContact CD2-CG 3.95Å; L309-K857 HydrophobicContact CG-CG 4.49Å; M853-K857 HydrophobicContact CG-CD 4.37Å; M853-K857 WeakPolarHBondContact O-CG 3.47Å; M853-K857 PolarHBondContact O-N 2.88Å; D854-K857 PolarHBondContact O-N 3.24Å; K857-Q859 VanDerWaalsContact C-N 3.33Å; K857-E860 PolarHBondContact O-N 3.1Å; K857-K861 VanDerWaalsContact O-CB 3.3Å; K857-K861 WeakPolarHBondContact O-CB 3.45Å; K857-K861 PolarHBondContact O-N 3.33Å
858K89.3Confident88.6Confident164 Ų16480.3 Ų80.371%0.71338%0.378SS*.Hα-helixtrans-63-40.8175.7-77.1175.6-178.4177.50111.3D854 K855 K862D854-K858 WeakPolarHBondContact O-CB 3.17Å; D854-K858 VanDerWaalsContact O-CG 3.28Å; D854-K858 WeakPolarHBondContact O-CG 3.41Å; D854-K858 PolarHBondContact O-N 2.93Å; K855-K858 PolarHBondContact O-N 3.32Å; K858-K862 VanDerWaalsContact O-CB 3.29Å; K858-K862 WeakPolarHBondContact O-CB 3.32Å; K858-K862 PolarHBondContact O-N 3.47Å
859Q88.1Confident88.6Confident83 Ų8381 Ų8139%0.38838%0.375SS..Hα-helixtrans-66.3-46176.1-74.7179.5-17.300112.1V305 K855 C856 K857 K861 K862 I863V305-Q859 HydrophobicContact CG1-CB 4.05Å; K855-Q859 WeakPolarHBondContact O-CB 3.42Å; K855-Q859 WeakPolarHBondContact O-CG 3.25Å; K855-Q859 PolarHBondContact O-N 2.87Å; C856-Q859 PolarHBondContact O-N 2.74Å; K857-Q859 VanDerWaalsContact C-N 3.33Å; Q859-K861 PolarHBondContact O-N 3.07Å; Q859-K862 PolarHBondContact O-N 3.32Å; Q859-I863 VanDerWaalsContact O-CG1 3.28Å; Q859-I863 WeakPolarHBondContact O-CG1 3.19Å; Q859-I863 PolarHBondContact O-N 3.27Å
860E89.4Confident88.6Confident52 Ų5281 Ų8124%0.24338%0.375CS..Hα-helixtrans-58.3-48.8175.9-174.9-169.5-155.100110.9F302 V305 L309 C856 K857 K862 I863 K864F302-E860 HydrophobicContact CD2-CG 4.2Å; F302-E860 HydrophobicContact CE2-CG 3.58Å; F302-E860 HydrophobicContact CZ-CG 4.27Å; V305-E860 HydrophobicContact CG1-CB 3.99Å; L309-E860 WeakPolarHBondContact CD2-OE2 3.12Å; C856-E860 WeakPolarHBondContact O-CB 3.42Å; C856-E860 PolarHBondContact O-N 3.45Å; K857-E860 PolarHBondContact O-N 3.1Å; E860-K862 PolarHBondContact O-N 3.37Å; E860-I863 PolarHBondContact O-N 3.18Å; E860-K864 VanDerWaalsContact O-CB 3.31Å; E860-K864 WeakPolarHBondContact O-CB 3.34Å; E860-K864 PolarHBondContact O-N 3.13Å
861K89.1Confident88.4Confident134 Ų13479 Ų7958%0.58337%0.371SS*.Hα-helixtrans-60.9-45.2177.7-172.9177.7176.3-173.90111.8K857 Q859 K864 E865K857-K861 VanDerWaalsContact O-CB 3.3Å; K857-K861 WeakPolarHBondContact O-CB 3.45Å; K857-K861 PolarHBondContact O-N 3.33Å; Q859-K861 PolarHBondContact O-N 3.07Å; K861-K864 PolarHBondContact O-N 3.49Å; K861-E865 WeakPolarHBondContact CE-OE1 3.28Å; K861-E865 HydrophobicContact CG-CG 4.48Å; K861-E865 IonicContact NZ-OE1 3.04Å; K861-E865 WeakPolarHBondContact O-CB 3.39Å; K861-E865 WeakPolarHBondContact O-CG 3.3Å; K861-E865 PolarHBondContact O-N 3.46Å
862K90Very high88.3Confident128 Ų12882.8 Ų82.856%0.55738%0.377SS*.Hα-helixtrans-60.8-47.2177.4-176.9-179.1176.6-177.50111.8K858 Q859 E860 K864 E865 E866K858-K862 VanDerWaalsContact O-CB 3.29Å; K858-K862 WeakPolarHBondContact O-CB 3.32Å; K858-K862 PolarHBondContact O-N 3.47Å; Q859-K862 PolarHBondContact O-N 3.32Å; E860-K862 PolarHBondContact O-N 3.37Å; K862-K864 VanDerWaalsContact C-N 3.29Å; K862-K864 PolarHBondContact O-N 3.16Å; K862-E865 PolarHBondContact O-N 2.93Å; K862-E866 WeakPolarHBondContact CE-OE1 3.31Å; K862-E866 WeakPolarHBondContact O-CG 3.33Å; K862-E866 PolarHBondContact O-N 3.38Å
863I87.7Confident88.3Confident17 Ų1783.1 Ų83.19%0.08738%0.377CS..Hα-helixtrans-63.6-39.4178.6-66166.1000110.3R298 E301 F302 V305 Q859 E860 E866 M867R298-I863 HydrophobicContact CB-CG2 4.29Å; E301-I863 HydrophobicContact CB-CD1 4.29Å; F302-I863 HydrophobicContact CB-CG2 3.86Å; F302-I863 HydrophobicContact CD2-CG2 4.28Å; V305-I863 HydrophobicContact CG2-CD1 3.95Å; Q859-I863 VanDerWaalsContact O-CG1 3.28Å; Q859-I863 WeakPolarHBondContact O-CG1 3.19Å; Q859-I863 PolarHBondContact O-N 3.27Å; E860-I863 PolarHBondContact O-N 3.18Å; I863-E866 PolarHBondContact O-N 3.21Å; I863-M867 HydrophobicContact CG2-SD 4.28Å; I863-M867 WeakPolarHBondContact O-CG 3.49Å; I863-M867 PolarHBondContact O-N 3.07Å
864K88.2Confident88.4Confident110 Ų11084.1 Ų84.148%0.47838%0.38SS..Hα-helixtrans-64.3-45.4176.2-173.1178.3177.3-176.70112.3F302 E860 K861 K862 M867 E868F302-K864 HydrophobicContact CE2-CB 4.22Å; E860-K864 VanDerWaalsContact O-CB 3.31Å; E860-K864 WeakPolarHBondContact O-CB 3.34Å; E860-K864 PolarHBondContact O-N 3.13Å; K861-K864 PolarHBondContact O-N 3.49Å; K862-K864 VanDerWaalsContact C-N 3.29Å; K862-K864 PolarHBondContact O-N 3.16Å; K864-M867 WeakPolarHBondContact O-CB 3.33Å; K864-M867 PolarHBondContact O-N 3.33Å; K864-E868 WeakPolarHBondContact CE-OE1 3.45Å; K864-E868 WeakPolarHBondContact O-CG 3.41Å; K864-E868 PolarHBondContact O-N 3.36Å
865E89.4Confident88.2Confident87 Ų8784.7 Ų84.741%0.40739%0.386SS..Hα-helixtrans-61.9-42175.5-74.9172.6174.400111.7K861 K862 M867 E868 Q869K861-E865 WeakPolarHBondContact CE-OE1 3.28Å; K861-E865 HydrophobicContact CG-CG 4.48Å; K861-E865 IonicContact NZ-OE1 3.04Å; K861-E865 WeakPolarHBondContact O-CB 3.39Å; K861-E865 WeakPolarHBondContact O-CG 3.3Å; K861-E865 PolarHBondContact O-N 3.46Å; K862-E865 PolarHBondContact O-N 2.93Å; E865-M867 VanDerWaalsContact C-N 3.33Å; E865-M867 PolarHBondContact O-N 3.32Å; E865-E868 PolarHBondContact O-N 3.28Å; E865-Q869 WeakPolarHBondContact O-CB 3.42Å; E865-Q869 VanDerWaalsContact O-CG 3.28Å; E865-Q869 WeakPolarHBondContact O-CG 3.37Å; E865-Q869 PolarHBondContact O-N 2.79Å
866E89.4Confident88.2Confident52 Ų5284.7 Ų84.724%0.24339%0.389CS..Hα-helixtrans-61.1-41.3174.4-74.3178.6-163.700111.6R298 K862 I863 E870R298-E866 IonicContact CZ-OE2 3.43Å; R298-E866 IonicContact NE-OE2 3.77Å; R298-E866 PolarHBondContact NE-OE2 2.78Å; R298-E866 IonicContact NH2-OE1 2.92Å; R298-E866 IonicContact NH2-OE2 3.25Å; R298-E866 PolarHBondContact NH2-OE2 2.7Å; K862-E866 WeakPolarHBondContact CE-OE1 3.31Å; K862-E866 WeakPolarHBondContact O-CG 3.33Å; K862-E866 PolarHBondContact O-N 3.38Å; I863-E866 PolarHBondContact O-N 3.21Å; E866-E870 WeakPolarHBondContact O-CG 3.02Å; E866-E870 PolarHBondContact O-N 3.17Å; E866-E870 VanDerWaalsContact O-N 3.16Å
867M86.7Confident88.2Confident37 Ų3785.1 Ų85.118%0.18239%0.391CS..Hα-helixtrans-65-47.5175.2-74.7177.552.900111.7R298 F302 I863 K864 E865 Q869 E870 E871R298-M867 HydrophobicContact CB-CG 3.9Å; R298-M867 HydrophobicContact CB-SD 4.23Å; F302-M867 HydrophobicContact CB-SD 4.28Å; I863-M867 HydrophobicContact CG2-SD 4.28Å; I863-M867 WeakPolarHBondContact O-CG 3.49Å; I863-M867 PolarHBondContact O-N 3.07Å; K864-M867 WeakPolarHBondContact O-CB 3.33Å; K864-M867 PolarHBondContact O-N 3.33Å; E865-M867 VanDerWaalsContact C-N 3.33Å; E865-M867 PolarHBondContact O-N 3.32Å; M867-Q869 VanDerWaalsContact C-N 3.32Å; M867-Q869 PolarHBondContact O-N 3.37Å; M867-E870 PolarHBondContact O-N 3.34Å; M867-E871 WeakPolarHBondContact O-CB 3.42Å; M867-E871 PolarHBondContact O-N 3.28Å
868E88Confident88.2Confident95 Ų9584.6 Ų84.644%0.44439%0.39SS..Hα-helixtrans-62.9-35.8178.7-73.7176-173.700112.5K864 E865 E871 K872K864-E868 WeakPolarHBondContact CE-OE1 3.45Å; K864-E868 WeakPolarHBondContact O-CG 3.41Å; K864-E868 PolarHBondContact O-N 3.36Å; E865-E868 PolarHBondContact O-N 3.28Å; E868-E871 PolarHBondContact O-N 3.41Å; E868-K872 WeakPolarHBondContact O-CG 3.43Å; E868-K872 PolarHBondContact O-N 2.8Å
869Q88.9Confident88.1Confident111 Ų11180.4 Ų80.452%0.51938%0.381SS..Hα-helixtrans-66-43.6174.7-76.5178.69.700112.4E865 M867 E871 K872 K873E865-Q869 WeakPolarHBondContact O-CB 3.42Å; E865-Q869 VanDerWaalsContact O-CG 3.28Å; E865-Q869 WeakPolarHBondContact O-CG 3.37Å; E865-Q869 PolarHBondContact O-N 2.79Å; M867-Q869 VanDerWaalsContact C-N 3.32Å; M867-Q869 PolarHBondContact O-N 3.37Å; Q869-E871 VanDerWaalsContact C-N 3.33Å; Q869-K872 PolarHBondContact O-N 2.73Å; Q869-K873 WeakPolarHBondContact O-CG 3.49Å; Q869-K873 PolarHBondContact O-N 3.25Å
870E88.2Confident88Confident28 Ų2883.3 Ų83.313%0.13139%0.389CS..Hα-helixtrans-70.4-31.2176.4-67-71.2152.500111.6K294 I295 E866 M867 K873 K874K294-E870 VanDerWaalsContact CD-CD 3.46Å; K294-E870 HydrophobicContact CD-CG 4.19Å; K294-E870 WeakPolarHBondContact CD-OE2 3.3Å; K294-E870 VanDerWaalsContact NZ-CD 3.28Å; K294-E870 IonicContact NZ-OE1 2.67Å; K294-E870 PolarHBondContact NZ-OE1 3.35Å; K294-E870 IonicContact NZ-OE2 3.44Å; K294-E870 PolarHBondContact NZ-OE2 3.15Å; I295-E870 HydrophobicContact CD1-CB 4.36Å; I295-E870 HydrophobicContact CG1-CB 4.06Å; E866-E870 WeakPolarHBondContact O-CG 3.02Å; E866-E870 PolarHBondContact O-N 3.17Å; E866-E870 VanDerWaalsContact O-N 3.16Å; M867-E870 PolarHBondContact O-N 3.34Å; E870-K873 IonicContact OE1-NZ 2.87Å; E870-K874 WeakPolarHBondContact O-CB 3.47Å; E870-K874 PolarHBondContact O-N 2.88Å
871E86.6Confident87.9Confident95 Ų9581.2 Ų81.244%0.44438%0.379SS..Hα-helixtrans-64.1-45.6172.1-154.296.9-146.900111.3M867 E868 Q869 K874 T875M867-E871 WeakPolarHBondContact O-CB 3.42Å; M867-E871 PolarHBondContact O-N 3.28Å; E868-E871 PolarHBondContact O-N 3.41Å; Q869-E871 VanDerWaalsContact C-N 3.33Å; E871-K874 WeakPolarHBondContact O-CB 3.35Å; E871-K874 PolarHBondContact O-N 3.47Å; E871-T875 PolarHBondContact O-N 3.44Å
872K88.1Confident87.7Confident140 Ų14076.7 Ų76.761%0.60937%0.371SS*.Hα-helixtrans-60.5-47.4174.8-75.8178.3-178.5-179.70112E868 Q869 K874 T875 E876E868-K872 WeakPolarHBondContact O-CG 3.43Å; E868-K872 PolarHBondContact O-N 2.8Å; Q869-K872 PolarHBondContact O-N 2.73Å; K872-K874 VanDerWaalsContact C-N 3.29Å; K872-K874 PolarHBondContact O-N 3.27Å; K872-T875 PolarHBondContact O-N 3.02Å; K872-T875 VanDerWaalsContact O-N 3.14Å; K872-T875 PolarHBondContact O-OG1 2.81Å; K872-E876 PolarHBondContact O-N 3.44Å
873K88.1Confident87.5Confident98 Ų9876.6 Ų76.643%0.42637%0.373SS..Hα-helixtrans-58.1-42.7175.3-73.4177.7-173.8173.50111.8Q869 E870 T875 E876 V877Q869-K873 WeakPolarHBondContact O-CG 3.49Å; Q869-K873 PolarHBondContact O-N 3.25Å; E870-K873 IonicContact OE1-NZ 2.87Å; K873-T875 VanDerWaalsContact C-N 3.34Å; K873-T875 PolarHBondContact O-N 3.01Å; K873-E876 PolarHBondContact O-N 3.31Å; K873-V877 VanDerWaalsContact O-CG2 3.29Å; K873-V877 WeakPolarHBondContact O-CG2 3.38Å; K873-V877 PolarHBondContact O-N 3.19Å
874K88Confident87.6Confident37 Ų3777 Ų7716%0.16138%0.375CS..Hα-helixtrans-56.4-48.5175.1175.8178.6166.8172.30110.9C291 E292 E870 E871 K872 E876 V877 E878C291-K874 HydrophobicContact CB-CB 4.26Å; E292-K874 HydrophobicContact CG-CD 4.26Å; E292-K874 IonicContact OE1-NZ 3.56Å; E292-K874 PolarHBondContact OE1-NZ 3.11Å; E870-K874 WeakPolarHBondContact O-CB 3.47Å; E870-K874 PolarHBondContact O-N 2.88Å; E871-K874 WeakPolarHBondContact O-CB 3.35Å; E871-K874 PolarHBondContact O-N 3.47Å; K872-K874 VanDerWaalsContact C-N 3.29Å; K872-K874 PolarHBondContact O-N 3.27Å; K874-E876 PolarHBondContact O-N 2.79Å; K874-V877 PolarHBondContact O-N 3.47Å; K874-E878 WeakPolarHBondContact CE-OE1 3.39Å; K874-E878 HydrophobicContact CG-CG 4.39Å; K874-E878 IonicContact NZ-OE1 3.64Å; K874-E878 WeakPolarHBondContact O-CB 3.48Å; K874-E878 WeakPolarHBondContact O-CG 3.46Å; K874-E878 PolarHBondContact O-N 2.89Å
875T85.6Confident87.4Confident79 Ų7976.4 Ų76.449%0.48537%0.372SS..Hα-helixtrans-63.1-37.6179.757.70000113.5E871 K872 K873 S879E871-T875 PolarHBondContact O-N 3.44Å; K872-T875 PolarHBondContact O-N 3.02Å; K872-T875 VanDerWaalsContact O-N 3.14Å; K872-T875 PolarHBondContact O-OG1 2.81Å; K873-T875 VanDerWaalsContact C-N 3.34Å; K873-T875 PolarHBondContact O-N 3.01Å; T875-S879 PolarHBondContact O-N 2.67Å
876E88.5Confident87.2Confident132 Ų13279.4 Ų79.462%0.61738%0.381SS*.Hα-helixtrans-65.7-42.6175.6-71.4174.8-177.200111.9K872 K873 K874 S879 R880K872-E876 PolarHBondContact O-N 3.44Å; K873-E876 PolarHBondContact O-N 3.31Å; K874-E876 PolarHBondContact O-N 2.79Å; E876-S879 PolarHBondContact O-N 2.86Å; E876-R880 PolarHBondContact O-N 2.82Å
877V87.8Confident87.1Confident12 Ų1284.5 Ų84.57%0.07340%0.398CS..Hα-helixtrans-68.4-38.9178.2178.60000111.1L284 E287 I288 K873 K874 S879 R880 V881L284-V877 HydrophobicContact CB-CG1 4Å; L284-V877 HydrophobicContact CD2-CG1 4.23Å; E287-V877 HydrophobicContact CB-CG1 4.48Å; E287-V877 HydrophobicContact CG-CG2 4.45Å; I288-V877 HydrophobicContact CD1-CG1 4.07Å; I288-V877 HydrophobicContact CG1-CB 4.16Å; I288-V877 HydrophobicContact CG1-CG1 3.54Å; K873-V877 VanDerWaalsContact O-CG2 3.29Å; K873-V877 WeakPolarHBondContact O-CG2 3.38Å; K873-V877 PolarHBondContact O-N 3.19Å; K874-V877 PolarHBondContact O-N 3.47Å; V877-S879 VanDerWaalsContact C-N 3.31Å; V877-S879 PolarHBondContact O-N 2.81Å; V877-R880 PolarHBondContact O-N 3.13Å; V877-V881 WeakPolarHBondContact O-CG2 3.44Å; V877-V881 PolarHBondContact O-N 3.45Å
878E86.6Confident87Confident86 Ų8683.3 Ų83.340%0.40239%0.394SS..Hα-helixtrans-58.9-40.8174.7-77.3174.4163.100112.2I288 K874 R880 V881 G882I288-E878 HydrophobicContact CD1-CG 3.87Å; I288-E878 HydrophobicContact CG1-CG 4.48Å; K874-E878 WeakPolarHBondContact CE-OE1 3.39Å; K874-E878 HydrophobicContact CG-CG 4.39Å; K874-E878 IonicContact NZ-OE1 3.64Å; K874-E878 WeakPolarHBondContact O-CB 3.48Å; K874-E878 WeakPolarHBondContact O-CG 3.46Å; K874-E878 PolarHBondContact O-N 2.89Å; E878-R880 PolarHBondContact O-N 2.87Å; E878-V881 PolarHBondContact O-N 3.37Å; E878-G882 PolarHBondContact O-N 3.01Å
879S86.9Confident86.9Confident76 Ų7685 Ų8553%0.53140%0.402SS..Hα-helixtrans-60.6-44.8175-170.40000112T875 E876 V877 G882 E883T875-S879 PolarHBondContact O-N 2.67Å; E876-S879 PolarHBondContact O-N 2.86Å; V877-S879 VanDerWaalsContact C-N 3.31Å; V877-S879 PolarHBondContact O-N 2.81Å; S879-G882 WeakPolarHBondContact O-CA 3.45Å; S879-G882 PolarHBondContact O-N 2.77Å; S879-G882 VanDerWaalsContact O-N 3.12Å; S879-E883 PolarHBondContact O-N 2.97Å
880R87.7Confident86.7Confident144 Ų14485.1 Ų85.154%0.54340%0.404SS..Hα-helixtrans-66.7-36.3178.6-67.8177.969.4-171.40.3112.7L284 E876 V877 E878 G882 E883 L884L284-R880 HydrophobicContact CD1-CB 3.97Å; E876-R880 PolarHBondContact O-N 2.82Å; V877-R880 PolarHBondContact O-N 3.13Å; E878-R880 PolarHBondContact O-N 2.87Å; R880-G882 VanDerWaalsContact C-N 3.26Å; R880-G882 PolarHBondContact O-N 3.13Å; R880-E883 PolarHBondContact O-N 3.35Å; R880-L884 PolarHBondContact O-N 2.69Å; R880-L884 VanDerWaalsContact O-N 3.13Å
881V87.4Confident86.5Confident7 Ų784.9 Ų84.94%0.04240%0.403CS..Hα-helixtrans-62-37.9171.9169.40000110.5Q281 L284 E285 I288 V877 E878 L884 K885Q281-V881 HydrophobicContact CG-CG1 4.48Å; L284-V881 HydrophobicContact CB-CG2 3.65Å; L284-V881 HydrophobicContact CD1-CG2 4.27Å; E285-V881 HydrophobicContact CG-CG2 4.48Å; I288-V881 HydrophobicContact CD1-CG2 3.98Å; V877-V881 WeakPolarHBondContact O-CG2 3.44Å; V877-V881 PolarHBondContact O-N 3.45Å; E878-V881 PolarHBondContact O-N 3.37Å; V881-L884 PolarHBondContact O-N 3.13Å; V881-K885 HydrophobicContact CG1-CD 4.09Å; V881-K885 HydrophobicContact CG1-CG 4.4Å; V881-K885 WeakPolarHBondContact O-CB 3.5Å; V881-K885 VanDerWaalsContact O-CG 3.3Å; V881-K885 WeakPolarHBondContact O-CG 3.12Å; V881-K885 PolarHBondContact O-N 2.85Å
882G83.6Confident86.4Confident40 Ų4085.1 Ų85.141%0.41241%0.407SS..Hα-helixtrans-58.8-45.9173.300000113.4E878 S879 R880 K885 Y886E878-G882 PolarHBondContact O-N 3.01Å; S879-G882 WeakPolarHBondContact O-CA 3.45Å; S879-G882 PolarHBondContact O-N 2.77Å; S879-G882 VanDerWaalsContact O-N 3.12Å; R880-G882 VanDerWaalsContact C-N 3.26Å; R880-G882 PolarHBondContact O-N 3.13Å; G882-K885 PolarHBondContact O-N 3.42Å; G882-Y886 PolarHBondContact O-N 3.05Å
883E87.2Confident86.1Confident126 Ų12680.5 Ų80.559%0.58940%0.399SS*.Hα-helixtrans-63.8-42.4177.8-67.3178.6179.400113S879 R880 Y886 R887S879-E883 PolarHBondContact O-N 2.97Å; R880-E883 PolarHBondContact O-N 3.35Å; E883-Y886 PolarHBondContact O-N 3.37Å; E883-R887 PolarHBondContact O-N 3.17Å
884L88.1Confident85.9Confident26 Ų2679.8 Ų79.814%0.13640%0.398CS..Hα-helixtrans-68.3-37.3177.8-71.3179.7000112.3I277 D280 Q281 L284 R880 V881 Y886 R887 A888I277-L884 HydrophobicContact CG2-CB 4.47Å; I277-L884 HydrophobicContact CG2-CD2 4.46Å; D280-L884 HydrophobicContact CB-CD1 3.9Å; Q281-L884 HydrophobicContact CB-CD1 4.44Å; L284-L884 HydrophobicContact CD1-CD1 3.71Å; R880-L884 PolarHBondContact O-N 2.69Å; R880-L884 VanDerWaalsContact O-N 3.13Å; V881-L884 PolarHBondContact O-N 3.13Å; L884-Y886 VanDerWaalsContact C-N 3.35Å; L884-Y886 PolarHBondContact O-N 3.13Å; L884-R887 PolarHBondContact O-N 3.11Å; L884-A888 PolarHBondContact O-N 2.92Å
885K85.1Confident85.7Confident96 Ų9678.7 Ų78.742%0.41739%0.393SS..Hα-helixtrans-58.9-45.8174.4-80.8176.8177.8179.10111.7V881 G882 R887 A888 E889V881-K885 HydrophobicContact CG1-CD 4.09Å; V881-K885 HydrophobicContact CG1-CG 4.4Å; V881-K885 WeakPolarHBondContact O-CB 3.5Å; V881-K885 VanDerWaalsContact O-CG 3.3Å; V881-K885 WeakPolarHBondContact O-CG 3.12Å; V881-K885 PolarHBondContact O-N 2.85Å; G882-K885 PolarHBondContact O-N 3.42Å; K885-R887 VanDerWaalsContact C-N 3.32Å; K885-R887 PolarHBondContact O-N 3.47Å; K885-A888 WeakPolarHBondContact O-CB 3.19Å; K885-A888 PolarHBondContact O-N 3.47Å; K885-A888 VanDerWaalsContact O-N 3.15Å; K885-E889 WeakPolarHBondContact O-CG 3.2Å; K885-E889 PolarHBondContact O-N 3.02Å
886Y85.3Confident85.6Confident150 Ų15076 Ų7659%0.58838%0.382SS*.Hα-helixtrans-59.2-42176.9-179.6-104.8000112.5G882 E883 L884 E889 M890G882-Y886 PolarHBondContact O-N 3.05Å; E883-Y886 PolarHBondContact O-N 3.37Å; L884-Y886 VanDerWaalsContact C-N 3.35Å; L884-Y886 PolarHBondContact O-N 3.13Å; Y886-E889 PolarHBondContact O-N 2.97Å; Y886-M890 PolarHBondContact O-N 3.45Å
887R86.5Confident85.2Confident160 Ų16075.7 Ų75.760%0.60438%0.38SS*.Hα-helixtrans-66.5-37.8175.1-72.4-176177.5172.41.6113.1I277 E883 L884 K885 M890 L891I277-R887 HydrophobicContact CD1-CB 4.31Å; E883-R887 PolarHBondContact O-N 3.17Å; L884-R887 PolarHBondContact O-N 3.11Å; K885-R887 VanDerWaalsContact C-N 3.32Å; K885-R887 PolarHBondContact O-N 3.47Å; R887-M890 PolarHBondContact O-N 2.88Å; R887-L891 PolarHBondContact O-N 3.4Å
888A86Confident85Confident12 Ų1275.6 Ų75.610%0.09938%0.379CS..Hα-helixtrans-64.3-41.7176.400000111.5L274 I277 L884 K885 M890 L891 D892L274-A888 HydrophobicContact CD1-CB 4.24Å; I277-A888 HydrophobicContact CG2-CB 4.02Å; L884-A888 PolarHBondContact O-N 2.92Å; K885-A888 WeakPolarHBondContact O-CB 3.19Å; K885-A888 PolarHBondContact O-N 3.47Å; K885-A888 VanDerWaalsContact O-N 3.15Å; A888-M890 PolarHBondContact O-N 3.46Å; A888-L891 PolarHBondContact O-N 2.91Å; A888-D892 WeakPolarHBondContact O-CB 3.39Å; A888-D892 PolarHBondContact O-N 3.26Å
889E84.6Confident84.7Confident131 Ų13178.5 Ų78.561%0.61239%0.387SS*.Hα-helixtrans-59.6-42.7176.8-74.8171.9-175.500112.4K885 Y886 L891 D892 G893K885-E889 WeakPolarHBondContact O-CG 3.2Å; K885-E889 PolarHBondContact O-N 3.02Å; Y886-E889 PolarHBondContact O-N 2.97Å; E889-L891 PolarHBondContact O-N 3.5Å; E889-D892 PolarHBondContact O-N 3.05Å; E889-G893 PolarHBondContact O-N 3.41Å
890M84.3Confident84.5Confident113 Ų11382.4 Ų82.456%0.55739%0.39SS*.Hα-helixtrans-60.8-45.6177.2-70.8-62.3-58.900112.4Y886 R887 A888 G893 E894Y886-M890 PolarHBondContact O-N 3.45Å; R887-M890 PolarHBondContact O-N 2.88Å; A888-M890 PolarHBondContact O-N 3.46Å; M890-G893 PolarHBondContact O-N 3.28Å; M890-E894 PolarHBondContact O-N 3.44Å
891L85.6Confident84.2Confident22 Ų2281 Ų8112%0.11539%0.385CS..Hα-helixtrans-71-33.2178-82.2162.2000113K270 E273 L274 I277 R887 A888 E889 G893 E894 L895K270-L891 HydrophobicContact CD-CD2 4.28Å; E273-L891 HydrophobicContact CB-CD1 4.35Å; E273-L891 HydrophobicContact CB-CD2 4.49Å; L274-L891 HydrophobicContact CD1-CB 4.31Å; I277-L891 HydrophobicContact CD1-CD1 3.38Å; R887-L891 PolarHBondContact O-N 3.4Å; A888-L891 PolarHBondContact O-N 2.91Å; E889-L891 PolarHBondContact O-N 3.5Å; L891-G893 VanDerWaalsContact C-N 3.28Å; L891-E894 PolarHBondContact O-N 3.36Å; L891-L895 PolarHBondContact O-N 2.94Å
892D82.9Confident84Confident100 Ų10082 Ų8254%0.53539%0.389SS..Hα-helixtrans-67.9-31.8175.4-152.933.1000111.2A888 E889 L895 G896A888-D892 WeakPolarHBondContact O-CB 3.39Å; A888-D892 PolarHBondContact O-N 3.26Å; E889-D892 PolarHBondContact O-N 3.05Å; D892-L895 PolarHBondContact O-N 3.18Å; D892-G896 PolarHBondContact O-N 3.06Å
893G82.5Confident83.5Confident43 Ų4382.2 Ų82.244%0.44338%0.382SS..Hα-helixtrans-57.1-50.6169.100000112.8E889 M890 L891 G896 E897E889-G893 PolarHBondContact O-N 3.41Å; M890-G893 PolarHBondContact O-N 3.28Å; L891-G893 VanDerWaalsContact C-N 3.28Å; G893-G896 PolarHBondContact O-N 2.89Å; G893-E897 PolarHBondContact O-N 3.21Å
894E84Confident83.2Confident84 Ų8480.2 Ų80.239%0.39338%0.376SS..Hα-helixtrans-62.6-43.9176.6-63.5179.8177.800112K270 M890 L891 G896 E897 I898K270-E894 WeakPolarHBondContact CD-OE2 3.45Å; K270-E894 WeakPolarHBondContact CE-OE2 3.44Å; K270-E894 IonicContact NZ-OE2 2.77Å; K270-E894 PolarHBondContact NZ-OE2 3.49Å; M890-E894 PolarHBondContact O-N 3.44Å; L891-E894 PolarHBondContact O-N 3.36Å; E894-G896 PolarHBondContact O-N 2.93Å; E894-E897 PolarHBondContact O-N 3.34Å; E894-I898 PolarHBondContact O-N 2.84Å
895L84.7Confident82.8Confident13 Ų1381.4 Ų81.47%0.06838%0.38CS..Hα-helixtrans-62.4-31.5174.5-84.5165.4000112.6M267 K270 R271 L274 L891 D892 E897 I898 R899M267-L895 HydrophobicContact CG-CD2 4.27Å; K270-L895 HydrophobicContact CB-CD2 3.75Å; K270-L895 HydrophobicContact CB-CG 3.93Å; R271-L895 HydrophobicContact CG-CD2 4.06Å; L274-L895 HydrophobicContact CB-CD1 4.21Å; L274-L895 HydrophobicContact CD2-CD1 3.61Å; L274-L895 HydrophobicContact CG-CD1 4.47Å; L891-L895 PolarHBondContact O-N 2.94Å; D892-L895 PolarHBondContact O-N 3.18Å; L895-E897 VanDerWaalsContact C-N 3.3Å; L895-E897 PolarHBondContact O-N 2.89Å; L895-I898 PolarHBondContact O-N 3.46Å; L895-R899 WeakPolarHBondContact O-CB 3.12Å; L895-R899 PolarHBondContact O-N 3.28Å
896G81.5Confident82.4Confident24 Ų2478.6 Ų78.625%0.24737%0.369CS..Hα-helixtrans-62.5-33.6175.700000113.3D892 G893 E894 R900D892-G896 PolarHBondContact O-N 3.06Å; G893-G896 PolarHBondContact O-N 2.89Å; E894-G896 PolarHBondContact O-N 2.93Å; G896-R900 WeakPolarHBondContact O-CB 3.4Å; G896-R900 WeakPolarHBondContact O-CG 3.4Å; G896-R900 PolarHBondContact O-N 3.4Å; G896-R900 VanDerWaalsContact O-N 3.12Å; G896-R900 PolarHBondContact O-NE 3.05Å
897E81.3Confident81.8Confident124 Ų12477.3 Ų77.358%0.57936%0.362SS*.Hα-helixtrans-73.1-44.8176.8-64.1-170.8162.200112.2G893 E894 L895 R900 R901G893-E897 PolarHBondContact O-N 3.21Å; E894-E897 PolarHBondContact O-N 3.34Å; L895-E897 VanDerWaalsContact C-N 3.3Å; L895-E897 PolarHBondContact O-N 2.89Å; E897-R900 WeakPolarHBondContact O-CB 3.42Å; E897-R900 PolarHBondContact O-N 3.07Å; E897-R901 PolarHBondContact O-N 3.37Å
898I83.8Confident81.3Confident10 Ų1071.8 Ų71.85%0.05135%0.345CS..Hα-helixtrans-66.5-43.4177.7-58.7167.4000110.4I263 E266 M267 K270 E894 L895 R900 R901 L902I263-I898 HydrophobicContact CG2-CG2 4.39Å; E266-I898 HydrophobicContact CB-CG2 4.35Å; E266-I898 HydrophobicContact CG-CD1 3.98Å; E266-I898 HydrophobicContact CG-CG1 4.4Å; M267-I898 HydrophobicContact CB-CG2 3.92Å; M267-I898 HydrophobicContact CE-CG2 4.44Å; K270-I898 HydrophobicContact CG-CD1 4.26Å; E894-I898 PolarHBondContact O-N 2.84Å; L895-I898 PolarHBondContact O-N 3.46Å; I898-R900 VanDerWaalsContact C-N 3.31Å; I898-R900 PolarHBondContact O-N 2.98Å; I898-R901 WeakPolarHBondContact O-CB 3.06Å; I898-R901 PolarHBondContact O-N 3.39Å; I898-R901 VanDerWaalsContact O-N 3.17Å; I898-L902 PolarHBondContact O-N 3.04Å
899R80.3Confident80.9Confident147 Ų14771.2 Ų71.256%0.55534%0.34SS*.Hα-helixtrans-61.6-36.9177-173.5-175.8-105.1-126.93.5112M267 L895 R901 L902 V903M267-R899 HydrophobicContact CE-CB 3.83Å; M267-R899 HydrophobicContact CE-CG 4.17Å; L895-R899 WeakPolarHBondContact O-CB 3.12Å; L895-R899 PolarHBondContact O-N 3.28Å; R899-R901 VanDerWaalsContact C-N 3.31Å; R899-R901 PolarHBondContact O-N 3.24Å; R899-L902 PolarHBondContact O-N 2.86Å; R899-V903 HydrophobicContact CG-CG2 3.88Å; R899-V903 WeakPolarHBondContact O-CB 3.47Å; R899-V903 WeakPolarHBondContact O-CG2 3.26Å; R899-V903 PolarHBondContact O-N 3.17Å
900R81.5Confident80Confident159 Ų15969.4 Ų69.460%0.633%0.332SS*.Hα-helixtrans-57.2-44.2174.3-90.5-177.7-89.6178-4.8111.8G896 E897 I898 N904G896-R900 WeakPolarHBondContact O-CB 3.4Å; G896-R900 WeakPolarHBondContact O-CG 3.4Å; G896-R900 PolarHBondContact O-N 3.4Å; G896-R900 VanDerWaalsContact O-N 3.12Å; G896-R900 PolarHBondContact O-NE 3.05Å; E897-R900 WeakPolarHBondContact O-CB 3.42Å; E897-R900 PolarHBondContact O-N 3.07Å; I898-R900 VanDerWaalsContact C-N 3.31Å; I898-R900 PolarHBondContact O-N 2.98Å; R900-N904 VanDerWaalsContact O-CG 3.25Å; R900-N904 PolarHBondContact O-N 3.37Å; R900-N904 PolarHBondContact O-ND2 2.88Å
901R81.6Confident79.6Confident115 Ų11569.5 Ų69.543%0.43433%0.329SS..Hα-helixtrans-61.6-47.9176.2-70.2-172.3-85.2148.2-4.1111.8I263 E266 E897 I898 R899 N904I263-R901 HydrophobicContact CD1-CB 4.13Å; I263-R901 HydrophobicContact CG2-CB 3.92Å; E266-R901 IonicContact OE1-CZ 2.8Å; E266-R901 IonicContact OE1-NH1 3.5Å; E266-R901 IonicContact OE1-NH2 2.67Å; E266-R901 PolarHBondContact OE1-NH2 2.63Å; E266-R901 IonicContact OE2-CZ 3.25Å; E266-R901 VanDerWaalsContact OE2-CZ 3.29Å; E266-R901 IonicContact OE2-NH1 2.74Å; E266-R901 PolarHBondContact OE2-NH1 2.76Å; E266-R901 IonicContact OE2-NH2 2.79Å; E266-R901 PolarHBondContact OE2-NH2 2.75Å; E897-R901 PolarHBondContact O-N 3.37Å; I898-R901 WeakPolarHBondContact O-CB 3.06Å; I898-R901 PolarHBondContact O-N 3.39Å; I898-R901 VanDerWaalsContact O-N 3.17Å; R899-R901 VanDerWaalsContact C-N 3.31Å; R899-R901 PolarHBondContact O-N 3.24Å; R901-N904 PolarHBondContact O-N 3.27Å
902L83Confident79.1Confident26 Ų2670.9 Ų70.914%0.13634%0.336CS..Hα-helixtrans-67.2-42.6-177.6-17467.1000112.5R260 I263 E264 M267 I898 R899 N904 K905 Q906R260-L902 HydrophobicContact CG-CD1 3.84Å; I263-L902 HydrophobicContact CB-CB 4.35Å; I263-L902 HydrophobicContact CB-CD1 3.93Å; I263-L902 HydrophobicContact CG2-CB 3.7Å; I263-L902 HydrophobicContact CG2-CD1 4.19Å; E264-L902 HydrophobicContact CG-CD1 3.57Å; E264-L902 HydrophobicContact CG-CD2 4.3Å; M267-L902 HydrophobicContact CE-CB 4.12Å; M267-L902 HydrophobicContact CE-CD2 3.52Å; M267-L902 HydrophobicContact CE-CG 4.48Å; M267-L902 HydrophobicContact SD-CD2 3.96Å; I898-L902 PolarHBondContact O-N 3.04Å; R899-L902 PolarHBondContact O-N 2.86Å; L902-N904 VanDerWaalsContact C-N 3.3Å; L902-N904 PolarHBondContact O-N 3.26Å; L902-K905 PolarHBondContact O-N 2.83Å; L902-Q906 WeakPolarHBondContact O-CB 3.15Å; L902-Q906 PolarHBondContact O-N 2.74Å
903V73.9Confident78.8Confident45 Ų4568.9 Ų68.927%0.27332%0.324SS..Hα-helixtrans-62.6-38.8-179.4163.80000111R899 K905 R907R899-V903 HydrophobicContact CG-CG2 3.88Å; R899-V903 WeakPolarHBondContact O-CB 3.47Å; R899-V903 WeakPolarHBondContact O-CG2 3.26Å; R899-V903 PolarHBondContact O-N 3.17Å; V903-K905 VanDerWaalsContact C-N 3.29Å; V903-K905 PolarHBondContact O-N 2.89Å; V903-R907 HydrophobicContact CG1-CG 4.12Å; V903-R907 WeakPolarHBondContact O-CB 3.48Å; V903-R907 WeakPolarHBondContact O-CD 3.27Å; V903-R907 WeakPolarHBondContact O-CG 3.36Å; V903-R907 PolarHBondContact O-N 3.05Å
904N80.5Confident78.1Confident85 Ų8572.6 Ų72.646%0.45533%0.328SS..Hα-helixtrans-60.1-42.7177.3-72.9-15.7000111.3R900 R901 L902 R907 D908R900-N904 VanDerWaalsContact O-CG 3.25Å; R900-N904 PolarHBondContact O-N 3.37Å; R900-N904 PolarHBondContact O-ND2 2.88Å; R901-N904 PolarHBondContact O-N 3.27Å; L902-N904 VanDerWaalsContact C-N 3.3Å; L902-N904 PolarHBondContact O-N 3.26Å; N904-R907 WeakPolarHBondContact O-CB 3.35Å; N904-R907 PolarHBondContact OD1-NH1 2.8Å; N904-D908 VanDerWaalsContact O-OD2 3.14Å
905K79.2Confident77.6Confident50 Ų5071.2 Ų71.222%0.21732%0.323CS..Hα-helixtrans-74.4-44.3179-79.4-71.3151.5-159.50114.4E256 Q259 I263 L902 V903 R907 D908 I909E256-K905 IonicContact OE2-NZ 2.82Å; E256-K905 PolarHBondContact OE2-NZ 3.43Å; Q259-K905 HydrophobicContact CB-CD 3.67Å; Q259-K905 HydrophobicContact CB-CG 4.45Å; I263-K905 HydrophobicContact CD1-CG 4.37Å; L902-K905 PolarHBondContact O-N 2.83Å; V903-K905 VanDerWaalsContact C-N 3.29Å; V903-K905 PolarHBondContact O-N 2.89Å; K905-R907 PolarHBondContact O-N 3.33Å; K905-D908 PolarHBondContact O-N 3.04Å; K905-D908 VanDerWaalsContact O-N 3.14Å; K905-I909 PolarHBondContact O-N 3.28Å
906Q77.2Confident77.2Confident38 Ų3871.6 Ų71.618%0.17833%0.325CS..Hα-helixtrans-61.2-32.2175.4-177.763.411.400112L902 D908 Q910L902-Q906 WeakPolarHBondContact O-CB 3.15Å; L902-Q906 PolarHBondContact O-N 2.74Å; Q906-D908 VanDerWaalsContact C-N 3.26Å; Q906-D908 PolarHBondContact O-N 2.86Å; Q906-Q910 HydrophobicContact CG-CG 4.08Å; Q906-Q910 VanDerWaalsContact NE2-CG 3.28Å; Q906-Q910 VanDerWaalsContact O-CB 3.23Å; Q906-Q910 WeakPolarHBondContact O-CB 3.43Å; Q906-Q910 VanDerWaalsContact O-CG 3.29Å; Q906-Q910 WeakPolarHBondContact O-CG 3.22Å; Q906-Q910 PolarHBondContact O-N 2.7Å
907R73.4Confident76.8Confident122 Ų12274.4 Ų74.446%0.4634%0.335SS..Hα-helixtrans-61.2-36.6176.3-85.9168.6178.2171.61.6112.4V903 N904 K905 K911V903-R907 HydrophobicContact CG1-CG 4.12Å; V903-R907 WeakPolarHBondContact O-CB 3.48Å; V903-R907 WeakPolarHBondContact O-CD 3.27Å; V903-R907 WeakPolarHBondContact O-CG 3.36Å; V903-R907 PolarHBondContact O-N 3.05Å; N904-R907 WeakPolarHBondContact O-CB 3.35Å; N904-R907 PolarHBondContact OD1-NH1 2.8Å; K905-R907 PolarHBondContact O-N 3.33Å; R907-K911 WeakPolarHBondContact O-CB 3.41Å; R907-K911 WeakPolarHBondContact O-CD 3.47Å; R907-K911 WeakPolarHBondContact O-CG 3.47Å; R907-K911 PolarHBondContact O-N 2.79Å
908D75.3Confident76.4Confident44 Ų4472.1 Ų72.124%0.23532%0.324CS..Hα-helixtrans-75.4-43.3-174.4-62-27.8000110.3E256 N904 K905 Q906 Q910 K911E256-D908 HydrophobicContact CB-CB 4.42Å; E256-D908 HydrophobicContact CG-CB 3.79Å; E256-D908 WeakPolarHBondContact OE2-CB 3.34Å; N904-D908 VanDerWaalsContact O-OD2 3.14Å; K905-D908 PolarHBondContact O-N 3.04Å; K905-D908 VanDerWaalsContact O-N 3.14Å; Q906-D908 VanDerWaalsContact C-N 3.26Å; Q906-D908 PolarHBondContact O-N 2.86Å; D908-Q910 PolarHBondContact O-N 3.31Å; D908-K911 PolarHBondContact O-N 3.25Å; D908-K911 IonicContact OD1-NZ 3.43Å; D908-K911 PolarHBondContact OD1-NZ 3.06Å
909I78.3Confident75.9Confident0 Ų071.6 Ų71.60%032%0.321CS..Hα-helixtrans-58.2-53171.6-55.1163.2000111.3E256 H257 R260 K905 K911 L912 Q913E256-I909 HydrophobicContact CB-CB 4Å; E256-I909 HydrophobicContact CB-CG1 3.29Å; E256-I909 WeakPolarHBondContact O-CD1 3.38Å; E256-I909 WeakPolarHBondContact O-CG1 2.98Å; H257-I909 VanDerWaalsContact CA-CD1 3.5Å; H257-I909 HydrophobicContact CB-CD1 4.43Å; R260-I909 HydrophobicContact CB-CD1 4.08Å; K905-I909 PolarHBondContact O-N 3.28Å; I909-K911 VanDerWaalsContact C-N 3.31Å; I909-K911 PolarHBondContact O-N 3.28Å; I909-L912 PolarHBondContact O-N 3.04Å; I909-L912 VanDerWaalsContact O-N 3.17Å; I909-Q913 PolarHBondContact O-N 3.23Å
910Q64.6Low75.9Confident93 Ų9368.8 Ų68.844%0.43531%0.314SS..Hα-helixtrans-66.4-36.4-172.6-78.3-175.9-3000111.3Q906 D908 L912 Q913 K914Q906-Q910 HydrophobicContact CG-CG 4.08Å; Q906-Q910 VanDerWaalsContact NE2-CG 3.28Å; Q906-Q910 VanDerWaalsContact O-CB 3.23Å; Q906-Q910 WeakPolarHBondContact O-CB 3.43Å; Q906-Q910 VanDerWaalsContact O-CG 3.29Å; Q906-Q910 WeakPolarHBondContact O-CG 3.22Å; Q906-Q910 PolarHBondContact O-N 2.7Å; D908-Q910 PolarHBondContact O-N 3.31Å; Q910-L912 PolarHBondContact O-N 3.04Å; Q910-L912 VanDerWaalsContact O-N 3.11Å; Q910-Q913 PolarHBondContact O-N 2.8Å; Q910-K914 WeakPolarHBondContact O-CA 3.4Å; Q910-K914 WeakPolarHBondContact O-CB 3.38Å; Q910-K914 PolarHBondContact O-N 3.16Å
911K77.1Confident75.2Confident115 Ų11563.9 Ų63.950%0.531%0.308SS..Hα-helixtrans-50-41.5176.6-82.5162.9-166.9162.90111.3R907 D908 I909 D915R907-K911 WeakPolarHBondContact O-CB 3.41Å; R907-K911 WeakPolarHBondContact O-CD 3.47Å; R907-K911 WeakPolarHBondContact O-CG 3.47Å; R907-K911 PolarHBondContact O-N 2.79Å; D908-K911 PolarHBondContact O-N 3.25Å; D908-K911 IonicContact OD1-NZ 3.43Å; D908-K911 PolarHBondContact OD1-NZ 3.06Å; I909-K911 VanDerWaalsContact C-N 3.31Å; I909-K911 PolarHBondContact O-N 3.28Å; K911-D915 VanDerWaalsContact O-CB 3.23Å; K911-D915 WeakPolarHBondContact O-CB 3.42Å; K911-D915 PolarHBondContact O-N 3.03Å; K911-D915 VanDerWaalsContact O-OD1 3.06Å
912L74.1Confident75.2Confident51 Ų5161 Ų6127%0.26730%0.298SS..Hα-helixtrans-83.7-47.7-171.6-55.3167.9000110.4A252 V253 E256 I909 Q910 K914 D915 L916A252-L912 HydrophobicContact CB-CB 4.09Å; A252-L912 HydrophobicContact CB-CD1 4.45Å; A252-L912 HydrophobicContact CB-CD2 3.66Å; A252-L912 HydrophobicContact CB-CG 4.23Å; A252-L912 WeakPolarHBondContact O-CD1 3.25Å; V253-L912 HydrophobicContact CG2-CB 4.31Å; V253-L912 WeakPolarHBondContact CG2-O 3.42Å; E256-L912 HydrophobicContact CG-CD1 4.2Å; I909-L912 PolarHBondContact O-N 3.04Å; I909-L912 VanDerWaalsContact O-N 3.17Å; Q910-L912 PolarHBondContact O-N 3.04Å; Q910-L912 VanDerWaalsContact O-N 3.11Å; L912-K914 VanDerWaalsContact C-N 3.27Å; L912-K914 PolarHBondContact O-N 2.86Å; L912-D915 WeakPolarHBondContact O-CB 3.46Å; L912-D915 PolarHBondContact O-N 3.19Å; L912-L916 PolarHBondContact O-N 2.79Å
913Q77.6Confident75.1Confident59 Ų5960.9 Ų60.928%0.27630%0.298SS..Hα-helixtrans-64.7-36.2-179.7-146.7154.541.900112.5V253 H257 I909 Q910 N917V253-Q913 HydrophobicContact CB-CB 4.43Å; V253-Q913 HydrophobicContact CB-CG 4.42Å; V253-Q913 HydrophobicContact CG1-CB 3.59Å; V253-Q913 HydrophobicContact CG1-CG 3.29Å; V253-Q913 HydrophobicContact CG2-CB 4.16Å; V253-Q913 HydrophobicContact CG2-CG 4.32Å; H257-Q913 PolarHBondContact NE2-NE2 3.05Å; H257-Q913 PolarHBondContact NE2-OE1 3.15Å; I909-Q913 PolarHBondContact O-N 3.23Å; Q910-Q913 PolarHBondContact O-N 2.8Å; Q913-N917 WeakPolarHBondContact O-CB 3.44Å; Q913-N917 VanDerWaalsContact O-CG 3.22Å; Q913-N917 PolarHBondContact O-N 3.45Å; Q913-N917 VanDerWaalsContact O-N 3.1Å
914K66.7Low75.5Confident121 Ų12162.9 Ų62.953%0.52630%0.304SS..Hα-helixtrans-68.9-41.4176.9-174.6-177.9-175.7-171.10110.6Q910 L912 L916 N917 Q918Q910-K914 WeakPolarHBondContact O-CA 3.4Å; Q910-K914 WeakPolarHBondContact O-CB 3.38Å; Q910-K914 PolarHBondContact O-N 3.16Å; L912-K914 VanDerWaalsContact C-N 3.27Å; L912-K914 PolarHBondContact O-N 2.86Å; K914-L916 VanDerWaalsContact C-N 3.29Å; K914-L916 PolarHBondContact O-N 3.42Å; K914-N917 PolarHBondContact O-N 3.25Å; K914-Q918 VanDerWaalsContact CE-NE2 3.32Å; K914-Q918 HydrophobicContact CG-CG 3.99Å; K914-Q918 WeakPolarHBondContact O-CA 3.38Å; K914-Q918 WeakPolarHBondContact O-CB 3.41Å; K914-Q918 WeakPolarHBondContact O-CG 3.23Å; K914-Q918 PolarHBondContact O-N 3.43Å
915D73.7Confident75.5Confident54 Ų5462 Ų6229%0.28930%0.304SS..Hα-helixtrans-57.7-44.3179.7-95.430.6000111.4R249 K911 L912 Q918R249-D915 HydrophobicContact CB-CB 4.05Å; R249-D915 VanDerWaalsContact CD-C 3.47Å; R249-D915 WeakPolarHBondContact CD-O 3.45Å; R249-D915 HydrophobicContact CG-CB 3.83Å; R249-D915 VanDerWaalsContact CZ-CG 3.46Å; R249-D915 IonicContact CZ-OD1 3.28Å; R249-D915 IonicContact CZ-OD2 3.92Å; R249-D915 PolarHBondContact NE-O 3.41Å; R249-D915 IonicContact NE-OD1 3.92Å; R249-D915 IonicContact NE-OD2 2.78Å; R249-D915 PolarHBondContact NE-OD2 3.31Å; R249-D915 PolarHBondContact NH1-O 2.68Å; R249-D915 VanDerWaalsContact NH2-CG 3.27Å; R249-D915 IonicContact NH2-OD1 2.94Å; R249-D915 PolarHBondContact NH2-OD1 2.97Å; R249-D915 IonicContact NH2-OD2 3.73Å; R249-D915 PolarHBondContact NH2-OD2 3.04Å; K911-D915 VanDerWaalsContact O-CB 3.23Å; K911-D915 WeakPolarHBondContact O-CB 3.42Å; K911-D915 PolarHBondContact O-N 3.03Å; K911-D915 VanDerWaalsContact O-OD1 3.06Å; L912-D915 WeakPolarHBondContact O-CB 3.46Å; L912-D915 PolarHBondContact O-N 3.19Å; D915-Q918 WeakPolarHBondContact O-CB 3.34Å
916L76.5Confident75.7Confident21 Ų2161.4 Ų61.411%0.1130%0.301CS..Hα-helixtrans-62.9-62.1173.8169.861000112.2R249 E250 L912 K914 Q918 A919 E920R249-L916 HydrophobicContact CB-CB 4.07Å; E250-L916 HydrophobicContact CB-CD1 3.77Å; E250-L916 HydrophobicContact CB-CD2 4.35Å; E250-L916 HydrophobicContact CG-CD1 3.33Å; E250-L916 HydrophobicContact CG-CD2 3.7Å; E250-L916 HydrophobicContact CG-CG 4.05Å; E250-L916 WeakPolarHBondContact OE1-CD1 3.42Å; L912-L916 PolarHBondContact O-N 2.79Å; K914-L916 VanDerWaalsContact C-N 3.29Å; K914-L916 PolarHBondContact O-N 3.42Å; L916-Q918 PolarHBondContact O-N 3.45Å; L916-A919 PolarHBondContact O-N 3.35Å; L916-E920 HydrophobicContact CD1-CG 4.47Å; L916-E920 PolarHBondContact O-N 3.43Å
917N74.2Confident76.1Confident84 Ų8463.1 Ų63.145%0.44931%0.306SS..Hα-helixtrans-60-26.5-174.4-68.3-2.1000110.3Q913 K914 A919 A921Q913-N917 WeakPolarHBondContact O-CB 3.44Å; Q913-N917 VanDerWaalsContact O-CG 3.22Å; Q913-N917 PolarHBondContact O-N 3.45Å; Q913-N917 VanDerWaalsContact O-N 3.1Å; K914-N917 PolarHBondContact O-N 3.25Å; N917-A919 VanDerWaalsContact C-N 3.34Å; N917-A921 WeakPolarHBondContact O-CA 3.4Å; N917-A921 WeakPolarHBondContact O-CB 3.44Å; N917-A921 PolarHBondContact O-N 3.25Å
918Q71.7Confident76.5Confident75 Ų7559.2 Ų59.235%0.3530%0.3SS..Hα-helixtrans-62.1-42.4175.2-90.7173.9-11.800112K914 D915 L916 K922K914-Q918 VanDerWaalsContact CE-NE2 3.32Å; K914-Q918 HydrophobicContact CG-CG 3.99Å; K914-Q918 WeakPolarHBondContact O-CA 3.38Å; K914-Q918 WeakPolarHBondContact O-CB 3.41Å; K914-Q918 WeakPolarHBondContact O-CG 3.23Å; K914-Q918 PolarHBondContact O-N 3.43Å; D915-Q918 WeakPolarHBondContact O-CB 3.34Å; L916-Q918 PolarHBondContact O-N 3.45Å; Q918-K922 WeakPolarHBondContact O-CA 3.48Å; Q918-K922 WeakPolarHBondContact O-CB 3.33Å; Q918-K922 PolarHBondContact O-N 2.82Å
919A73Confident76.9Confident0 Ų060.2 Ų60.20%030%0.303CS..Hα-helixtrans-80.1-37.7-174.800000111.3V242 E245 L246 L916 N917 K922 L923V242-A919 WeakPolarHBondContact CG1-O 3.37Å; E245-A919 HydrophobicContact CB-CB 4.24Å; E245-A919 HydrophobicContact CG-CB 4.11Å; L246-A919 HydrophobicContact CB-CB 3.69Å; L246-A919 HydrophobicContact CG-CB 4.14Å; L916-A919 PolarHBondContact O-N 3.35Å; N917-A919 VanDerWaalsContact C-N 3.34Å; A919-K922 PolarHBondContact O-N 2.92Å; A919-L923 PolarHBondContact O-N 3.22Å; A919-L923 VanDerWaalsContact O-N 3.13Å
920E80Confident77.2Confident87 Ų8761.6 Ų61.641%0.40731%0.308SS..Hα-helixtrans-59.7-54169.6-70.2-170.2135.600111.6L246 L916 K922 L923 E924L246-E920 HydrophobicContact CD1-CB 4.05Å; L246-E920 HydrophobicContact CD1-CG 3.6Å; L246-E920 HydrophobicContact CD2-CG 3.52Å; L246-E920 HydrophobicContact CG-CB 4.18Å; L246-E920 HydrophobicContact CG-CG 3.4Å; L916-E920 HydrophobicContact CD1-CG 4.47Å; L916-E920 PolarHBondContact O-N 3.43Å; E920-K922 PolarHBondContact O-N 3.21Å; E920-L923 PolarHBondContact O-N 3.48Å; E920-L923 VanDerWaalsContact O-N 3.14Å; E920-E924 PolarHBondContact O-N 2.87Å; E920-E924 VanDerWaalsContact O-N 3.12Å
921A68.3Low78.3Confident57 Ų5758.1 Ų58.147%0.47129%0.292SS..Hα-helixtrans-63.1-34.8178.800000111.2N917 L923 S925N917-A921 WeakPolarHBondContact O-CA 3.4Å; N917-A921 WeakPolarHBondContact O-CB 3.44Å; N917-A921 PolarHBondContact O-N 3.25Å; A921-L923 VanDerWaalsContact C-N 3.3Å; A921-L923 PolarHBondContact O-N 3Å; A921-S925 WeakPolarHBondContact O-CA 3.38Å; A921-S925 WeakPolarHBondContact O-CB 3.43Å; A921-S925 PolarHBondContact O-N 2.84Å
922K80.1Confident78.6Confident53 Ų5355.8 Ų55.823%0.2329%0.29CS..Hα-helixtrans-67.1-33.3179-171.6-171.6177.2-168.50110.6V242 E245 Q918 A919 E920 R926V242-K922 HydrophobicContact CB-CD 4.29Å; V242-K922 HydrophobicContact CB-CG 4.25Å; V242-K922 HydrophobicContact CG1-CB 3.54Å; V242-K922 HydrophobicContact CG1-CD 3.83Å; V242-K922 HydrophobicContact CG1-CG 3.7Å; V242-K922 HydrophobicContact CG2-CB 4.29Å; V242-K922 HydrophobicContact CG2-CD 3.49Å; V242-K922 VanDerWaalsContact CG2-CD 3.49Å; V242-K922 VanDerWaalsContact CG2-CE 3.47Å; V242-K922 HydrophobicContact CG2-CG 3.48Å; V242-K922 VanDerWaalsContact CG2-CG 3.48Å; E245-K922 IonicContact OE2-NZ 3.32Å; E245-K922 PolarHBondContact OE2-NZ 3.04Å; Q918-K922 WeakPolarHBondContact O-CA 3.48Å; Q918-K922 WeakPolarHBondContact O-CB 3.33Å; Q918-K922 PolarHBondContact O-N 2.82Å; A919-K922 PolarHBondContact O-N 2.92Å; E920-K922 PolarHBondContact O-N 3.21Å; K922-R926 WeakPolarHBondContact O-CB 3.44Å; K922-R926 WeakPolarHBondContact O-CG 3.27Å; K922-R926 PolarHBondContact O-N 3.36Å; K922-R926 VanDerWaalsContact O-N 3.1Å
923L81.6Confident79.1Confident24 Ų2454 Ų5413%0.12628%0.28CS..Hα-helixtrans-70.8-50.417717458.6000111.2I239 V242 R243 L246 A919 E920 A921 S925 R926 R927I239-L923 HydrophobicContact CG2-CD1 4.39Å; V242-L923 HydrophobicContact CB-CB 4.49Å; V242-L923 HydrophobicContact CG1-CB 3.92Å; V242-L923 VanDerWaalsContact CG1-N 3.3Å; R243-L923 HydrophobicContact CG-CD1 3.41Å; R243-L923 VanDerWaalsContact CG-CD1 3.41Å; R243-L923 HydrophobicContact CG-CD2 3.88Å; R243-L923 HydrophobicContact CG-CG 4.26Å; L246-L923 HydrophobicContact CD1-CD2 4.41Å; A919-L923 PolarHBondContact O-N 3.22Å; A919-L923 VanDerWaalsContact O-N 3.13Å; E920-L923 PolarHBondContact O-N 3.48Å; E920-L923 VanDerWaalsContact O-N 3.14Å; A921-L923 VanDerWaalsContact C-N 3.3Å; A921-L923 PolarHBondContact O-N 3Å; L923-S925 VanDerWaalsContact C-N 3.3Å; L923-S925 PolarHBondContact O-N 2.84Å; L923-R926 PolarHBondContact O-N 3.47Å; L923-R927 PolarHBondContact O-N 3.44Å
924E83.2Confident79.4Confident87 Ų8751.5 Ų51.541%0.40727%0.269SS..Hα-helixtrans-64.6-39.9-179.5-167.553.3-143.400110.7E920 R926 R927 A928 Y977E920-E924 PolarHBondContact O-N 2.87Å; E920-E924 VanDerWaalsContact O-N 3.12Å; E924-R926 VanDerWaalsContact C-N 3.33Å; E924-R926 PolarHBondContact O-N 3.4Å; E924-R927 PolarHBondContact O-N 2.87Å; E924-A928 VanDerWaalsContact O-CB 3.3Å; E924-A928 WeakPolarHBondContact O-CB 3.46Å; E924-A928 PolarHBondContact O-N 3.37Å; E924-Y977 VanDerWaalsContact OE1-CE2 3.25Å; E924-Y977 WeakPolarHBondContact OE1-CE2 3.49Å; E924-Y977 PolarHBondContact OE1-OH 3.18Å
925S79.4Confident80.1Confident66 Ų6648.5 Ų48.546%0.46226%0.257SS..Hα-helixtrans-59.3-41.3173.5176.50000112.2A921 L923 E929A921-S925 WeakPolarHBondContact O-CA 3.38Å; A921-S925 WeakPolarHBondContact O-CB 3.43Å; A921-S925 PolarHBondContact O-N 2.84Å; L923-S925 VanDerWaalsContact C-N 3.3Å; L923-S925 PolarHBondContact O-N 2.84Å; S925-E929 WeakPolarHBondContact O-CB 3.5Å; S925-E929 PolarHBondContact O-N 3.24Å
926R83.9Confident80.5Confident38 Ų3847.2 Ų47.214%0.14325%0.254CS..Hα-helixtrans-71.6-35.9-178.4-68.3-65.6-171.2-161.84111.7N235 E238 I239 K922 L923 E924 E929 R930 E1000N235-R926 PolarHBondContact ND2-O 3.48Å; N235-R926 PolarHBondContact OD1-O 2.9Å; E238-R926 HydrophobicContact CB-CG 4.1Å; E238-R926 IonicContact OE2-CZ 3.96Å; E238-R926 IonicContact OE2-NE 2.82Å; E238-R926 PolarHBondContact OE2-NE 2.95Å; E238-R926 IonicContact OE2-NH2 2.84Å; E238-R926 PolarHBondContact OE2-NH2 3.46Å; I239-R926 HydrophobicContact CB-CB 4.45Å; I239-R926 HydrophobicContact CD1-CB 4.37Å; I239-R926 HydrophobicContact CG1-CB 3.41Å; I239-R926 VanDerWaalsContact CG1-CB 3.41Å; K922-R926 WeakPolarHBondContact O-CB 3.44Å; K922-R926 WeakPolarHBondContact O-CG 3.27Å; K922-R926 PolarHBondContact O-N 3.36Å; K922-R926 VanDerWaalsContact O-N 3.1Å; L923-R926 PolarHBondContact O-N 3.47Å; E924-R926 VanDerWaalsContact C-N 3.33Å; E924-R926 PolarHBondContact O-N 3.4Å; R926-E929 VanDerWaalsContact CD-OE2 3.31Å; R926-E929 WeakPolarHBondContact CD-OE2 3.25Å; R926-E929 IonicContact CZ-OE2 3.29Å; R926-E929 IonicContact NE-OE2 3.98Å; R926-E929 IonicContact NH1-OE1 3.82Å; R926-E929 IonicContact NH1-OE2 2.93Å; R926-E929 PolarHBondContact NH1-OE2 3.35Å; R926-E929 PolarHBondContact O-N 2.99Å; R926-R930 PolarHBondContact O-N 3.42Å; R926-E1000 IonicContact NH2-OE1 2.87Å; R926-E1000 PolarHBondContact NH2-OE1 3.03Å
927R84.8Confident80.7Confident75 Ų7546.3 Ų46.328%0.28325%0.249SC..Hα-helixtrans-65.5-47.9171.7-73.7172.4161.3164.4-5112.2I239 L923 E924 E929 R930 H931 Y977I239-R927 HydrophobicContact CD1-CG 4.43Å; L923-R927 PolarHBondContact O-N 3.44Å; E924-R927 PolarHBondContact O-N 2.87Å; R927-E929 VanDerWaalsContact C-N 3.25Å; R927-E929 PolarHBondContact O-N 3.11Å; R927-R930 WeakPolarHBondContact O-CB 3.22Å; R927-R930 PolarHBondContact O-N 3.43Å; R927-R930 VanDerWaalsContact O-N 3.13Å; R927-H931 PolarHBondContact O-N 3.27Å; R927-Y977 HydrophobicContact CB-CD1 4.15Å; R927-Y977 HydrophobicContact CB-CD2 4.11Å; R927-Y977 HydrophobicContact CB-CE1 4.02Å; R927-Y977 HydrophobicContact CB-CE2 3.98Å; R927-Y977 HydrophobicContact CB-CG 4.19Å
928A82.7Confident81Confident40 Ų4047.6 Ų47.633%0.33125%0.251SS..Hα-helixtrans-60-37.6175.600000111.7E924 H931 S932E924-A928 VanDerWaalsContact O-CB 3.3Å; E924-A928 WeakPolarHBondContact O-CB 3.46Å; E924-A928 PolarHBondContact O-N 3.37Å; A928-H931 PolarHBondContact O-N 2.74Å; A928-S932 VanDerWaalsContact O-CB 3.29Å; A928-S932 WeakPolarHBondContact O-CB 3.39Å; A928-S932 PolarHBondContact O-N 2.93Å
929E84Confident81.3Confident64 Ų6450 Ų5030%0.29926%0.264SS..Hα-helixtrans-64.8-42.2174.8177.6178.7-150.600111.3N235 S925 R926 R927 H931 S932 L933N235-E929 WeakPolarHBondContact ND2-CB 3.37Å; N235-E929 WeakPolarHBondContact ND2-CG 3.16Å; N235-E929 PolarHBondContact ND2-OE2 3.31Å; S925-E929 WeakPolarHBondContact O-CB 3.5Å; S925-E929 PolarHBondContact O-N 3.24Å; R926-E929 VanDerWaalsContact CD-OE2 3.31Å; R926-E929 WeakPolarHBondContact CD-OE2 3.25Å; R926-E929 IonicContact CZ-OE2 3.29Å; R926-E929 IonicContact NE-OE2 3.98Å; R926-E929 IonicContact NH1-OE1 3.82Å; R926-E929 IonicContact NH1-OE2 2.93Å; R926-E929 PolarHBondContact NH1-OE2 3.35Å; R926-E929 PolarHBondContact O-N 2.99Å; R927-E929 VanDerWaalsContact C-N 3.25Å; R927-E929 PolarHBondContact O-N 3.11Å; E929-H931 PolarHBondContact O-N 2.91Å; E929-S932 PolarHBondContact O-N 2.73Å; E929-L933 HydrophobicContact CG-CD1 3.99Å; E929-L933 HydrophobicContact CG-CG 4.37Å; E929-L933 WeakPolarHBondContact O-CB 3.47Å; E929-L933 WeakPolarHBondContact O-CG 3.37Å; E929-L933 PolarHBondContact O-N 3.38Å
930R84.9Confident81.3Confident29 Ų2953.3 Ų53.311%0.10928%0.279CS..Hα-helixtrans-58.1-49.1174.2-169.1177.5169127.91.9111.9N235 D236 I239 R926 R927 L933 L934 E980N235-R930 WeakPolarHBondContact OD1-CB 3.42Å; D236-R930 IonicContact OD1-CZ 2.68Å; D236-R930 IonicContact OD1-NE 3.95Å; D236-R930 IonicContact OD1-NH1 2.69Å; D236-R930 PolarHBondContact OD1-NH1 3.47Å; D236-R930 IonicContact OD2-CZ 3.62Å; D236-R930 IonicContact OD2-NH1 2.64Å; D236-R930 PolarHBondContact OD2-NH1 3.08Å; D236-R930 IonicContact OD2-NH2 3.55Å; I239-R930 HydrophobicContact CD1-CB 4.44Å; R926-R930 PolarHBondContact O-N 3.42Å; R927-R930 WeakPolarHBondContact O-CB 3.22Å; R927-R930 PolarHBondContact O-N 3.43Å; R927-R930 VanDerWaalsContact O-N 3.13Å; R930-L933 PolarHBondContact O-N 3.38Å; R930-L934 WeakPolarHBondContact O-CG 3.31Å; R930-L934 PolarHBondContact O-N 3.01Å; R930-L934 VanDerWaalsContact O-N 3.14Å; R930-E980 PolarHBondContact NH2-O 3.03Å
931H86.6Confident81.3Confident21 Ų2156 Ų5610%0.09730%0.296CS..Hα-helixtrans-60-47.9178.6179.664.3000111.4R927 A928 E929 L933 L934 Q935 Y977 E980R927-H931 PolarHBondContact O-N 3.27Å; A928-H931 PolarHBondContact O-N 2.74Å; E929-H931 PolarHBondContact O-N 2.91Å; H931-L933 VanDerWaalsContact C-N 3.31Å; H931-L933 PolarHBondContact O-N 2.76Å; H931-L934 PolarHBondContact O-N 3.24Å; H931-Q935 WeakPolarHBondContact O-CB 3.32Å; H931-Q935 PolarHBondContact O-N 2.92Å; H931-Y977 HydrophobicContact CB-CD1 4.33Å; H931-Y977 HydrophobicContact CB-CE1 3.85Å; H931-E980 VanDerWaalsContact CA-OE1 3.25Å; H931-E980 WeakPolarHBondContact CA-OE1 3.49Å; H931-E980 WeakPolarHBondContact CA-OE2 3.39Å; H931-E980 WeakPolarHBondContact CB-OE1 3.24Å; H931-E980 IonicContact CE1-OE1 3.13Å; H931-E980 IonicContact CG-OE1 2.92Å; H931-E980 IonicContact ND1-OE1 3.37Å; H931-E980 PolarHBondContact ND1-OE1 3.43Å
932S83.6Confident81.7Confident65 Ų6554 Ų5446%0.45528%0.278SS..Hα-helixtrans-61.4-38177.6-176.20000112.5A928 E929 Q935 A936A928-S932 VanDerWaalsContact O-CB 3.29Å; A928-S932 WeakPolarHBondContact O-CB 3.39Å; A928-S932 PolarHBondContact O-N 2.93Å; E929-S932 PolarHBondContact O-N 2.73Å; S932-Q935 PolarHBondContact O-N 3.45Å; S932-A936 WeakPolarHBondContact O-CB 3.49Å; S932-A936 PolarHBondContact O-N 2.84Å
933L84.7Confident81.7Confident13 Ų1360 Ų607%0.06831%0.307CS..Hα-helixtrans-66.7-36.8177.7-72169.5000112.7K231 L232 N235 E929 R930 H931 A937K231-L933 HydrophobicContact CB-CD1 3.71Å; K231-L933 HydrophobicContact CB-CD2 3.56Å; K231-L933 HydrophobicContact CB-CG 4.29Å; K231-L933 HydrophobicContact CD-CD2 3.5Å; K231-L933 VanDerWaalsContact CD-CD2 3.5Å; K231-L933 HydrophobicContact CG-CD2 4.17Å; L232-L933 HydrophobicContact CD2-CB 3.55Å; L232-L933 HydrophobicContact CD2-CD1 4.07Å; L232-L933 HydrophobicContact CD2-CG 4.47Å; L232-L933 HydrophobicContact CG-CB 3.97Å; L232-L933 HydrophobicContact CG-CD1 4.26Å; N235-L933 HydrophobicContact CB-CD1 4.32Å; E929-L933 HydrophobicContact CG-CD1 3.99Å; E929-L933 HydrophobicContact CG-CG 4.37Å; E929-L933 WeakPolarHBondContact O-CB 3.47Å; E929-L933 WeakPolarHBondContact O-CG 3.37Å; E929-L933 PolarHBondContact O-N 3.38Å; R930-L933 PolarHBondContact O-N 3.38Å; H931-L933 VanDerWaalsContact C-N 3.31Å; H931-L933 PolarHBondContact O-N 2.76Å; L933-A937 WeakPolarHBondContact O-CB 3.44Å; L933-A937 PolarHBondContact O-N 2.88Å
934L84Confident81.6Confident7 Ų760.9 Ų60.94%0.03731%0.311CS..Hα-helixtrans-72.9-42.1176.3-68172.9000111.6L232 R930 H931 A937 K938 L944 L960 E980 L983 I985L232-L934 HydrophobicContact CD1-CD2 4.16Å; L232-L934 HydrophobicContact CD2-CD2 3.99Å; L232-L934 HydrophobicContact CD2-CG 4.08Å; R930-L934 WeakPolarHBondContact O-CG 3.31Å; R930-L934 PolarHBondContact O-N 3.01Å; R930-L934 VanDerWaalsContact O-N 3.14Å; H931-L934 PolarHBondContact O-N 3.24Å; L934-A937 PolarHBondContact O-N 3.18Å; L934-K938 PolarHBondContact O-N 3.33Å; L934-K938 VanDerWaalsContact O-N 3.1Å; L934-L944 HydrophobicContact CD2-CD1 4.14Å; L934-L960 HydrophobicContact CB-CD2 4.28Å; L934-E980 HydrophobicContact CD1-CB 4.16Å; L934-E980 HydrophobicContact CD1-CG 3.78Å; L934-L983 HydrophobicContact CD1-CD2 4.3Å; L934-L983 HydrophobicContact CD2-CD2 3.83Å; L934-I985 HydrophobicContact CD2-CD1 4.16Å
935Q81.7Confident81.5Confident58 Ų5857.5 Ų57.527%0.27130%0.297SS..Hα-helixtrans-64-42.7175-166.3-17739.900111.3H931 S932 A937 K938 M939 S963H931-Q935 WeakPolarHBondContact O-CB 3.32Å; H931-Q935 PolarHBondContact O-N 2.92Å; S932-Q935 PolarHBondContact O-N 3.45Å; Q935-A937 PolarHBondContact O-N 3.41Å; Q935-K938 WeakPolarHBondContact O-CB 3.38Å; Q935-K938 PolarHBondContact O-N 3.45Å; Q935-K938 VanDerWaalsContact O-N 3.16Å; Q935-M939 VanDerWaalsContact O-CG 3.3Å; Q935-M939 WeakPolarHBondContact O-CG 3.37Å; Q935-M939 PolarHBondContact O-N 3.09Å; Q935-S963 PolarHBondContact NE2-OG 3.2Å
936A81.8Confident81.7Confident28 Ų2857 Ų5723%0.23129%0.288CS..Hα-helixtrans-62.6-43.217600000111.7S932 K938 M939 E940S932-A936 WeakPolarHBondContact O-CB 3.49Å; S932-A936 PolarHBondContact O-N 2.84Å; A936-K938 PolarHBondContact O-N 3.4Å; A936-M939 PolarHBondContact O-N 2.81Å; A936-E940 WeakPolarHBondContact O-CB 3.41Å; A936-E940 WeakPolarHBondContact O-CG 3.39Å; A936-E940 PolarHBondContact O-N 3.22Å
937A81.5Confident81.4Confident1 Ų160.2 Ų60.21%0.00830%0.304CS..Hα-helixtrans-59.2-38.1175.100000111.8L933 L934 Q935 L942 L944L933-A937 WeakPolarHBondContact O-CB 3.44Å; L933-A937 PolarHBondContact O-N 2.88Å; L934-A937 PolarHBondContact O-N 3.18Å; Q935-A937 PolarHBondContact O-N 3.41Å; A937-L942 WeakPolarHBondContact O-CB 3.37Å; A937-L942 PolarHBondContact O-N 2.83Å; A937-L944 HydrophobicContact CB-CD1 3.88Å; A937-L944 HydrophobicContact CB-CD2 4.1Å; A937-L944 HydrophobicContact CB-CG 4.05Å
938K79Confident80.4Confident111 Ų11166.2 Ų66.248%0.48334%0.335SS..Hα-helixtrans-70.3-42.8176.9-172.261.5178176.50112.7L934 Q935 A936 E940 D941L934-K938 PolarHBondContact O-N 3.33Å; L934-K938 VanDerWaalsContact O-N 3.1Å; Q935-K938 WeakPolarHBondContact O-CB 3.38Å; Q935-K938 PolarHBondContact O-N 3.45Å; Q935-K938 VanDerWaalsContact O-N 3.16Å; A936-K938 PolarHBondContact O-N 3.4Å; K938-E940 VanDerWaalsContact C-N 3.3Å; K938-E940 PolarHBondContact O-N 2.78Å; K938-D941 PolarHBondContact O-N 3.07Å
939M78.1Confident79.5Confident127 Ų12768.4 Ų68.463%0.62636%0.361SS*.Hα-helixtrans-67.1-30.6178-72.4-66.9-88.600113Q935 A936 D941Q935-M939 VanDerWaalsContact O-CG 3.3Å; Q935-M939 WeakPolarHBondContact O-CG 3.37Å; Q935-M939 PolarHBondContact O-N 3.09Å; A936-M939 PolarHBondContact O-N 2.81Å; M939-D941 PolarHBondContact O-N 2.91Å
940E74Confident78.6Confident69 Ų6967.7 Ų67.732%0.32236%0.363SS..THydrogen-bonded Turntrans-84.25177-69.5-172.2-170.900113.5R224 H228 A936 K938 L942R224-E940 WeakPolarHBondContact CD-OE2 3.23Å; R224-E940 IonicContact NE-OE2 3.42Å; H228-E940 VanDerWaalsContact CE1-CD 3.45Å; H228-E940 IonicContact CE1-OE1 3.4Å; H228-E940 IonicContact CE1-OE2 2.68Å; H228-E940 PolarHBondContact CE1-OE2 3Å; H228-E940 IonicContact ND1-OE2 3.87Å; A936-E940 WeakPolarHBondContact O-CB 3.41Å; A936-E940 WeakPolarHBondContact O-CG 3.39Å; A936-E940 PolarHBondContact O-N 3.22Å; K938-E940 VanDerWaalsContact C-N 3.3Å; K938-E940 PolarHBondContact O-N 2.78Å; E940-L942 HydrophobicContact CB-CD1 3.87Å; E940-L942 HydrophobicContact CB-CG 3.74Å; E940-L942 PolarHBondContact O-N 3.03Å; E940-L942 WeakPolarHBondContact OE2-CD1 3.3Å
941D78.5Confident77.5Confident142 Ų14273.4 Ų73.476%0.75940%0.395SS*.THydrogen-bonded Turntrans52.839.2-176.7-15325.3000111.8K938 M939K938-D941 PolarHBondContact O-N 3.07Å; M939-D941 PolarHBondContact O-N 2.91Å
942L78Confident76.3Confident17 Ų1775.4 Ų75.49%0.08941%0.41CS..  trans-89.6117.4179.8-64.5174.1000110.4T221 R224 L225 H228 A937 E940 L944T221-L942 HydrophobicContact CG2-CD2 4.38Å; R224-L942 HydrophobicContact CB-CD1 4.16Å; R224-L942 HydrophobicContact CB-CD2 4.06Å; L225-L942 HydrophobicContact CB-CD2 4.3Å; L225-L942 HydrophobicContact CD1-CB 4.41Å; H228-L942 HydrophobicContact CB-CD1 4.39Å; H228-L942 VanDerWaalsContact ND1-CD1 3.29Å; H228-L942 WeakPolarHBondContact ND1-CD1 3.1Å; A937-L942 WeakPolarHBondContact O-CB 3.37Å; A937-L942 PolarHBondContact O-N 2.83Å; E940-L942 HydrophobicContact CB-CD1 3.87Å; E940-L942 HydrophobicContact CB-CG 3.74Å; E940-L942 PolarHBondContact O-N 3.03Å; E940-L942 WeakPolarHBondContact OE2-CD1 3.3Å; L942-L944 PolarHBondContact O-N 3.42Å; L942-L944 VanDerWaalsContact O-N 3.07Å
943E79.3Confident75.5Confident179 Ų17974.4 Ų74.484%0.83640%0.399SS*.  trans-73.696.6172.2-66.5-175.4163.800110.8
944L80.7Confident74.6Confident41 Ų4178.7 Ų78.722%0.21543%0.428CS..PPolyproline II helixtrans-69130.2177-67.9176.4000111.3L225 L229 L232 L934 A937 L942 L946L225-L944 HydrophobicContact CD1-CD2 4.38Å; L229-L944 HydrophobicContact CD2-CD2 4.39Å; L232-L944 HydrophobicContact CD1-CD1 4.48Å; L934-L944 HydrophobicContact CD2-CD1 4.14Å; A937-L944 HydrophobicContact CB-CD1 3.88Å; A937-L944 HydrophobicContact CB-CD2 4.1Å; A937-L944 HydrophobicContact CB-CG 4.05Å; L942-L944 PolarHBondContact O-N 3.42Å; L942-L944 VanDerWaalsContact O-N 3.07Å; L944-L946 PolarHBondContact O-N 2.97Å
945P81.2Confident73.9Confident16 Ų1684.5 Ų84.510%0.10446%0.455CS..PPolyproline II helixtrans-69.9119.2177.726.2-33.1000111.8L229 D986 Y989L229-P945 HydrophobicContact CD1-CG 3.9Å; L229-P945 HydrophobicContact CD2-CG 3.97Å; P945-D986 PolarHBondContact O-N 3.49Å; P945-Y989 HydrophobicContact CB-CD1 4.16Å; P945-Y989 HydrophobicContact CB-CD2 3.28Å; P945-Y989 HydrophobicContact CB-CE1 4.29Å; P945-Y989 HydrophobicContact CB-CE2 3.46Å; P945-Y989 VanDerWaalsContact CB-CE2 3.46Å; P945-Y989 HydrophobicContact CB-CG 3.67Å; P945-Y989 HydrophobicContact CG-CD1 4.4Å; P945-Y989 HydrophobicContact CG-CD2 3.7Å; P945-Y989 HydrophobicContact CG-CE2 4.37Å; P945-Y989 HydrophobicContact CG-CG 3.72Å
946L82.1Confident73.2Confident55 Ų5582 Ų8229%0.28844%0.443SS..BIsolated β-bridgetrans-92.8153.2174.5-60.9175.3000111L944 Q948 P952L944-L946 PolarHBondContact O-N 2.97Å; L946-Q948 PolarHBondContact O-N 3.16Å; L946-P952 HydrophobicContact CD1-CB 4.48Å; L946-P952 HydrophobicContact CD1-CG 4.06Å
947K78.2Confident72.4Confident107 Ų10784.1 Ų84.147%0.46545%0.451SS..PPolyproline II helixtrans-63.2135.4175.3-70179.7-176.4170.80110.4G949 C950 P984 I985 D986K947-G949 PolarHBondContact O-N 3.27Å; K947-C950 WeakPolarHBondContact O-CB 3.31Å; K947-C950 PolarHBondContact O-N 3.09Å; K947-P984 HydrophobicContact CD-CB 4.34Å; K947-P984 PolarHBondContact N-O 3.22Å; K947-I985 WeakPolarHBondContact CE-O 3.4Å; K947-D986 HydrophobicContact CG-CB 3.89Å
948Q63.4Low71.8Confident200 Ų20086.8 Ų86.894%0.93547%0.47SS*.THydrogen-bonded Turntrans-48.9122.8177.5-82.3-178.7-17.800111.5L946L946-Q948 PolarHBondContact O-N 3.16Å
949G64.8Low71.1Confident86 Ų8684.1 Ų84.189%0.88746%0.459SS*.THydrogen-bonded Turntrans93.25.6-179.500000115.8K947K947-G949 PolarHBondContact O-N 3.27Å
950C64.5Low70.5Confident50 Ų5078.9 Ų78.934%0.33843%0.433SS..  trans-105.5121.2173.3-59.50000109.9K947 P984K947-C950 WeakPolarHBondContact O-CB 3.31Å; K947-C950 PolarHBondContact O-N 3.09Å; C950-P984 HydrophobicContact CB-CG 3.81Å
951D61.4Low69.9Low148 Ų14878 Ų7879%0.79144%0.438SS*.  trans-77.9151.4168.6-71.5-36.1000110.4I953D951-I953 PolarHBondContact O-N 3.32Å
952P61.4Low69.1Low63 Ų6376.1 Ų76.141%0.40943%0.428SS..  trans-55.9134.5170.6-17.528.7000109.9L946 P954 N957L946-P952 HydrophobicContact CD1-CB 4.48Å; L946-P952 HydrophobicContact CD1-CG 4.06Å; P952-P954 WeakPolarHBondContact O-CD 3.35Å; P952-P954 VanDerWaalsContact O-N 3.11Å; P952-N957 WeakPolarHBondContact CB-ND2 3.48Å
953I67.7Low68.1Low44 Ų4476.3 Ų76.323%0.22643%0.431CS..  trans-65.5109.6174.1-56.6172.9000107.2D951 E955 L956 N957 L983D951-I953 PolarHBondContact O-N 3.32Å; I953-E955 VanDerWaalsContact C-N 3.26Å; I953-E955 HydrophobicContact CG2-CB 4.23Å; I953-E955 PolarHBondContact O-N 3.04Å; I953-L956 HydrophobicContact CB-CB 3.84Å; I953-L956 HydrophobicContact CG2-CB 3.95Å; I953-L956 PolarHBondContact O-N 3.25Å; I953-N957 PolarHBondContact O-N 3.22Å; I953-L983 HydrophobicContact CD1-CD1 4.27Å
954P65.5Low66.9Low103 Ų10373.4 Ų73.467%0.66942%0.417SS*.Hα-helixtrans-63.2-35.2-173.5-21.934.6000112.1P952 L956 N957 S958P952-P954 WeakPolarHBondContact O-CD 3.35Å; P952-P954 VanDerWaalsContact O-N 3.11Å; P954-L956 VanDerWaalsContact C-N 3.32Å; P954-L956 PolarHBondContact O-N 2.86Å; P954-N957 PolarHBondContact O-N 2.78Å; P954-S958 PolarHBondContact O-N 2.89Å
955E68.5Low65.6Low130 Ų13078.2 Ų78.261%0.60744%0.443SS*.Hα-helixtrans-61.8-37.8174.9-68.6170.4175.100111.9I953 Q959I953-E955 VanDerWaalsContact C-N 3.26Å; I953-E955 HydrophobicContact CG2-CB 4.23Å; I953-E955 PolarHBondContact O-N 3.04Å; E955-Q959 WeakPolarHBondContact O-CB 3.5Å; E955-Q959 VanDerWaalsContact O-CG 3.23Å; E955-Q959 WeakPolarHBondContact O-CG 3.43Å; E955-Q959 PolarHBondContact O-N 2.74Å
956L67.7Low64.5Low4 Ų484.4 Ų84.42%0.02147%0.472CS..Hα-helixtrans-74.8-36.7176.5-168.672.8000111.5I953 P954 S958 Q959 L960 L979 E980 L983I953-L956 HydrophobicContact CB-CB 3.84Å; I953-L956 HydrophobicContact CG2-CB 3.95Å; I953-L956 PolarHBondContact O-N 3.25Å; P954-L956 VanDerWaalsContact C-N 3.32Å; P954-L956 PolarHBondContact O-N 2.86Å; L956-S958 VanDerWaalsContact C-N 3.34Å; L956-Q959 PolarHBondContact O-N 3.49Å; L956-L960 HydrophobicContact CD1-CD1 4.45Å; L956-L960 HydrophobicContact CD1-CG 4.41Å; L956-L960 HydrophobicContact CD2-CD1 4.18Å; L956-L960 HydrophobicContact CG-CD1 3.79Å; L956-L960 HydrophobicContact CG-CG 4.16Å; L956-L960 VanDerWaalsContact O-CB 3.24Å; L956-L960 WeakPolarHBondContact O-CB 3.17Å; L956-L960 WeakPolarHBondContact O-CG 3.4Å; L956-L960 PolarHBondContact O-N 2.87Å; L956-L979 HydrophobicContact CD1-CB 4.08Å; L956-E980 HydrophobicContact CD1-CG 4.15Å; L956-L983 HydrophobicContact CD2-CB 4.28Å; L956-L983 HydrophobicContact CD2-CD1 3.7Å; L956-L983 HydrophobicContact CD2-CD2 3.98Å; L956-L983 HydrophobicContact CD2-CG 4.2Å
957N65.5Low63.4Low73 Ų7389.6 Ų89.639%0.3950%0.5SS..Hα-helixtrans-65.6-36.2174.7-90.4-17.9000112.4P952 I953 P954 A961P952-N957 WeakPolarHBondContact CB-ND2 3.48Å; I953-N957 PolarHBondContact O-N 3.22Å; P954-N957 PolarHBondContact O-N 2.78Å; N957-A961 VanDerWaalsContact O-CB 3.31Å; N957-A961 WeakPolarHBondContact O-CB 3.34Å; N957-A961 PolarHBondContact O-N 3.2Å
958S67.4Low62.7Low58 Ų5886.1 Ų86.141%0.40649%0.488SS..Hα-helixtrans-66.8-51.2170.6157.10000110.1P954 L956 L960 A961 D962P954-S958 PolarHBondContact O-N 2.89Å; L956-S958 VanDerWaalsContact C-N 3.34Å; S958-L960 PolarHBondContact O-N 3.2Å; S958-A961 CarbonylContact O-C 3.58Å; S958-A961 PolarHBondContact O-N 3.08Å; S958-D962 VanDerWaalsContact O-CB 3.25Å; S958-D962 WeakPolarHBondContact O-CB 3.32Å; S958-D962 PolarHBondContact O-N 3.04Å; S958-D962 VanDerWaalsContact O-OD2 3.09Å; S958-D962 PolarHBondContact OG-OD2 3.25Å
959Q65.9Low63.1Low55 Ų5578.8 Ų78.826%0.25746%0.46SS..Hα-helixtrans-67.4-33-176.7-72176.54.600114.3E955 L956 A961 S963E955-Q959 WeakPolarHBondContact O-CB 3.5Å; E955-Q959 VanDerWaalsContact O-CG 3.23Å; E955-Q959 WeakPolarHBondContact O-CG 3.43Å; E955-Q959 PolarHBondContact O-N 2.74Å; L956-Q959 PolarHBondContact O-N 3.49Å; Q959-A961 VanDerWaalsContact C-N 3.3Å; Q959-S963 VanDerWaalsContact O-CB 3.32Å; Q959-S963 WeakPolarHBondContact O-CB 3.35Å; Q959-S963 PolarHBondContact O-N 3.36Å
960L64.2Low63.3Low17 Ų1781 Ų819%0.08946%0.456CS..Hα-helixtrans-71.8-24.1173.1-72.8169.3000112.7L934 L956 S958L934-L960 HydrophobicContact CB-CD2 4.28Å; L956-L960 HydrophobicContact CD1-CD1 4.45Å; L956-L960 HydrophobicContact CD1-CG 4.41Å; L956-L960 HydrophobicContact CD2-CD1 4.18Å; L956-L960 HydrophobicContact CG-CD1 3.79Å; L956-L960 HydrophobicContact CG-CG 4.16Å; L956-L960 VanDerWaalsContact O-CB 3.24Å; L956-L960 WeakPolarHBondContact O-CB 3.17Å; L956-L960 WeakPolarHBondContact O-CG 3.4Å; L956-L960 PolarHBondContact O-N 2.87Å; S958-L960 PolarHBondContact O-N 3.2Å
961A61.9Low63.6Low50 Ų5086.3 Ų86.341%0.41348%0.476SS..Hα-helixtrans-87.7-34.2173.800000112.1N957 S958 Q959N957-A961 VanDerWaalsContact O-CB 3.31Å; N957-A961 WeakPolarHBondContact O-CB 3.34Å; N957-A961 PolarHBondContact O-N 3.2Å; S958-A961 CarbonylContact O-C 3.58Å; S958-A961 PolarHBondContact O-N 3.08Å; Q959-A961 VanDerWaalsContact C-N 3.3Å
962D61.7Low64.2Low103 Ų10383.9 Ų83.955%0.55146%0.46SS*.Hα-helixtrans-84-20.2-177.4-69-37.7000112.5S958 E964 N965S958-D962 VanDerWaalsContact O-CB 3.25Å; S958-D962 WeakPolarHBondContact O-CB 3.32Å; S958-D962 PolarHBondContact O-N 3.04Å; S958-D962 VanDerWaalsContact O-OD2 3.09Å; S958-D962 PolarHBondContact OG-OD2 3.25Å; D962-E964 PolarHBondContact O-N 2.8Å; D962-E964 VanDerWaalsContact O-N 3.14Å; D962-N965 PolarHBondContact O-N 2.99Å
963S57.1Low64.9Low21 Ų2182.6 Ų82.615%0.14745%0.449CS..THydrogen-bonded Turntrans-70.1-2174.690.60000114.2Q935 Q959 N965Q935-S963 PolarHBondContact NE2-OG 3.2Å; Q959-S963 VanDerWaalsContact O-CB 3.32Å; Q959-S963 WeakPolarHBondContact O-CB 3.35Å; Q959-S963 PolarHBondContact O-N 3.36Å; S963-N965 VanDerWaalsContact C-N 3.26Å; S963-N965 PolarHBondContact O-N 3.47Å
964E53.3Low65.3Low117 Ų11783.2 Ų83.255%0.54746%0.46SS..THydrogen-bonded Turntrans-67.1-22.1171-79.1-164.4151.400113.6D962D962-E964 PolarHBondContact O-N 2.8Å; D962-E964 VanDerWaalsContact O-N 3.14Å
965N54.9Low66Low142 Ų14282.5 Ų82.576%0.75945%0.448SS*.SBendtrans-130.31.1-167.4-71.8-53.6000116D962 S963D962-N965 PolarHBondContact O-N 2.99Å; S963-N965 VanDerWaalsContact C-N 3.26Å; S963-N965 PolarHBondContact O-N 3.47Å
966M57.5Low66.5Low146 Ų14676.9 Ų76.972%0.71942%0.422SS*.SBendtrans-138.5121.1178.1-70.2-72.3-94.500109.2P968M966-P968 WeakPolarHBondContact O-CD 3.28Å
967D59.7Low67.3Low164 Ų16478.2 Ų78.288%0.87743%0.427SS*.  trans-58.8105.9167-86.5-33000106.8S969D967-S969 PolarHBondContact O-N 2.99Å
968P63.2Low68Low34 Ų3479.5 Ų79.522%0.22143%0.43CS..  trans-64.7132.5-175.3-13.328.7000106.7M966 E972 M973 I976M966-P968 WeakPolarHBondContact O-CD 3.28Å; P968-E972 WeakPolarHBondContact CA-OE2 3.45Å; P968-E972 HydrophobicContact CB-CB 3.67Å; P968-M973 HydrophobicContact CB-CG 3.85Å; P968-M973 HydrophobicContact CB-SD 3.78Å; P968-M973 HydrophobicContact CG-CG 4.2Å; P968-M973 HydrophobicContact CG-SD 3.56Å; P968-M973 VanDerWaalsContact CG-SD 3.56Å; P968-I976 HydrophobicContact CB-CD1 3.85Å; P968-I976 HydrophobicContact CG-CD1 3.88Å
969S71Confident68.6Low47 Ų4777.1 Ų77.133%0.32941%0.413SS..  trans-52155.8174.168.40000110.1D967 E971 E972 M973D967-S969 PolarHBondContact O-N 2.99Å; S969-E971 PolarHBondContact O-N 3.41Å; S969-E972 PolarHBondContact N-OE2 2.87Å; S969-E972 CarbonylContact O-C 3.52Å; S969-E972 WeakPolarHBondContact O-CA 3.22Å; S969-E972 WeakPolarHBondContact O-CB 3.45Å; S969-E972 PolarHBondContact O-N 3Å; S969-E972 WeakPolarHBondContact OG-CB 3.43Å; S969-E972 WeakPolarHBondContact OG-CG 3.36Å; S969-E972 PolarHBondContact OG-N 3.12Å; S969-E972 VanDerWaalsContact OG-N 3.13Å; S969-E972 PolarHBondContact OG-OE1 3.11Å; S969-M973 PolarHBondContact O-N 3.47Å
970T69.4Low69.4Low131 Ų13174.6 Ų74.680%0.80440%0.401SS*.Hα-helixtrans-54.5-29.2178.9-47.40000111.8A974T970-A974 WeakPolarHBondContact O-CB 3.49Å; T970-A974 PolarHBondContact O-N 3.38Å; T970-A974 VanDerWaalsContact O-N 3.13Å
971E70.5Confident70.2Confident163 Ų16376.9 Ų76.976%0.76242%0.423SS*.Hα-helixtrans-73.9-39.4172.6-64.2-178.3170.100112.9S969 A974 H975S969-E971 PolarHBondContact O-N 3.41Å; E971-A974 PolarHBondContact O-N 2.74Å; E971-H975 PolarHBondContact O-N 3.05Å
972E74.1Confident71Confident97 Ų9781.8 Ų81.845%0.45343%0.43SS..Hα-helixtrans-67.6-41.2173.3-72.9153.5-144.400112.2P968 S969 A974 H975 I976P968-E972 WeakPolarHBondContact CA-OE2 3.45Å; P968-E972 HydrophobicContact CB-CB 3.67Å; S969-E972 PolarHBondContact N-OE2 2.87Å; S969-E972 CarbonylContact O-C 3.52Å; S969-E972 WeakPolarHBondContact O-CA 3.22Å; S969-E972 WeakPolarHBondContact O-CB 3.45Å; S969-E972 PolarHBondContact O-N 3Å; S969-E972 WeakPolarHBondContact OG-CB 3.43Å; S969-E972 WeakPolarHBondContact OG-CG 3.36Å; S969-E972 PolarHBondContact OG-N 3.12Å; S969-E972 VanDerWaalsContact OG-N 3.13Å; S969-E972 PolarHBondContact OG-OE1 3.11Å; E972-A974 VanDerWaalsContact C-N 3.31Å; E972-A974 PolarHBondContact O-N 3.19Å; E972-H975 CarbonylContact O-C 3.55Å; E972-H975 WeakPolarHBondContact O-CA 3.17Å; E972-H975 WeakPolarHBondContact O-CB 3.47Å; E972-H975 PolarHBondContact O-N 3.25Å; E972-H975 VanDerWaalsContact O-N 3.09Å; E972-I976 VanDerWaalsContact O-CG1 3.3Å; E972-I976 WeakPolarHBondContact O-CG1 3.3Å; E972-I976 PolarHBondContact O-N 3.37Å
973M76.1Confident71.9Confident35 Ų3578.3 Ų78.317%0.17241%0.412CS..Hα-helixtrans-62.1-41.1173.1-81.7-51.4-63.600111.4P968 S969 H975 I976 Y977P968-M973 HydrophobicContact CB-CG 3.85Å; P968-M973 HydrophobicContact CB-SD 3.78Å; P968-M973 HydrophobicContact CG-CG 4.2Å; P968-M973 HydrophobicContact CG-SD 3.56Å; P968-M973 VanDerWaalsContact CG-SD 3.56Å; S969-M973 PolarHBondContact O-N 3.47Å; M973-H975 PolarHBondContact O-N 2.87Å; M973-I976 PolarHBondContact O-N 3.1Å; M973-I976 HydrophobicContact SD-CD1 4.04Å; M973-Y977 HydrophobicContact CB-CE2 4.42Å; M973-Y977 HydrophobicContact CE-CD1 4.12Å; M973-Y977 HydrophobicContact CE-CE1 3.31Å; M973-Y977 HydrophobicContact CE-CE2 4.08Å; M973-Y977 WeakPolarHBondContact CE-OH 3.48Å; M973-Y977 WeakPolarHBondContact O-CB 3.46Å; M973-Y977 VanDerWaalsContact O-CD2 3.22Å; M973-Y977 WeakPolarHBondContact O-CD2 3.24Å; M973-Y977 PolarHBondContact O-N 2.74Å
974A76.3Confident72.8Confident57 Ų5779.1 Ų79.147%0.47142%0.417SS..Hα-helixtrans-60.4-37.8173.500000111.6T970 E971 E972 E978T970-A974 WeakPolarHBondContact O-CB 3.49Å; T970-A974 PolarHBondContact O-N 3.38Å; T970-A974 VanDerWaalsContact O-N 3.13Å; E971-A974 PolarHBondContact O-N 2.74Å; E972-A974 VanDerWaalsContact C-N 3.31Å; E972-A974 PolarHBondContact O-N 3.19Å; A974-E978 PolarHBondContact O-N 3.21Å; A974-E978 VanDerWaalsContact O-N 3.16Å
975H79.3Confident74.2Confident88 Ų8874 Ų7441%0.40739%0.393SS..Hα-helixtrans-70.2-42.1175.9-170.358.7000113.2E971 E972 M973 E978 L979E971-H975 PolarHBondContact O-N 3.05Å; E972-H975 CarbonylContact O-C 3.55Å; E972-H975 WeakPolarHBondContact O-CA 3.17Å; E972-H975 WeakPolarHBondContact O-CB 3.47Å; E972-H975 PolarHBondContact O-N 3.25Å; E972-H975 VanDerWaalsContact O-N 3.09Å; M973-H975 PolarHBondContact O-N 2.87Å; H975-E978 WeakPolarHBondContact O-CA 3.4Å; H975-E978 VanDerWaalsContact O-CB 3.29Å; H975-E978 WeakPolarHBondContact O-CB 3.38Å; H975-E978 PolarHBondContact O-N 3.04Å; H975-E978 VanDerWaalsContact O-N 3.08Å; H975-L979 PolarHBondContact O-N 2.87Å
976I80.6Confident75.6Confident13 Ų1368.1 Ų68.17%0.06736%0.362CS..Hα-helixtrans-60.4-49.3174.6-69.5164000109.9P968 E972 M973 E978 L979 E980P968-I976 HydrophobicContact CB-CD1 3.85Å; P968-I976 HydrophobicContact CG-CD1 3.88Å; E972-I976 VanDerWaalsContact O-CG1 3.3Å; E972-I976 WeakPolarHBondContact O-CG1 3.3Å; E972-I976 PolarHBondContact O-N 3.37Å; M973-I976 PolarHBondContact O-N 3.1Å; M973-I976 HydrophobicContact SD-CD1 4.04Å; I976-E978 PolarHBondContact O-N 3.23Å; I976-E978 VanDerWaalsContact O-N 3.16Å; I976-L979 PolarHBondContact O-N 3.3Å; I976-E980 HydrophobicContact CG2-CG 4.23Å; I976-E980 WeakPolarHBondContact O-CB 3.4Å; I976-E980 VanDerWaalsContact O-CG 3.31Å; I976-E980 WeakPolarHBondContact O-CG 3.43Å; I976-E980 PolarHBondContact O-N 3.4Å
977Y83.6Confident76.9Confident32 Ų3263 Ų6313%0.12534%0.335CS..Hα-helixtrans-58.9-28.8175.5-65.2-29.4000112.4E924 R927 H931 M973 A981E924-Y977 VanDerWaalsContact OE1-CE2 3.25Å; E924-Y977 WeakPolarHBondContact OE1-CE2 3.49Å; E924-Y977 PolarHBondContact OE1-OH 3.18Å; R927-Y977 HydrophobicContact CB-CD1 4.15Å; R927-Y977 HydrophobicContact CB-CD2 4.11Å; R927-Y977 HydrophobicContact CB-CE1 4.02Å; R927-Y977 HydrophobicContact CB-CE2 3.98Å; R927-Y977 HydrophobicContact CB-CG 4.19Å; H931-Y977 HydrophobicContact CB-CD1 4.33Å; H931-Y977 HydrophobicContact CB-CE1 3.85Å; M973-Y977 HydrophobicContact CB-CE2 4.42Å; M973-Y977 HydrophobicContact CE-CD1 4.12Å; M973-Y977 HydrophobicContact CE-CE1 3.31Å; M973-Y977 HydrophobicContact CE-CE2 4.08Å; M973-Y977 WeakPolarHBondContact CE-OH 3.48Å; M973-Y977 WeakPolarHBondContact O-CB 3.46Å; M973-Y977 VanDerWaalsContact O-CD2 3.22Å; M973-Y977 WeakPolarHBondContact O-CD2 3.24Å; M973-Y977 PolarHBondContact O-N 2.74Å; Y977-A981 WeakPolarHBondContact O-CB 3.48Å; Y977-A981 PolarHBondContact O-N 3.28Å
978E79.5Confident78Confident99 Ų9962.5 Ų62.546%0.46333%0.325SS..Hα-helixtrans-74.8-38.3175.2-157.7-169155.700112.8A974 H975 I976 R982A974-E978 PolarHBondContact O-N 3.21Å; A974-E978 VanDerWaalsContact O-N 3.16Å; H975-E978 WeakPolarHBondContact O-CA 3.4Å; H975-E978 VanDerWaalsContact O-CB 3.29Å; H975-E978 WeakPolarHBondContact O-CB 3.38Å; H975-E978 PolarHBondContact O-N 3.04Å; H975-E978 VanDerWaalsContact O-N 3.08Å; I976-E978 PolarHBondContact O-N 3.23Å; I976-E978 VanDerWaalsContact O-N 3.16Å; E978-R982 IonicContact OE1-CZ 3.65Å; E978-R982 IonicContact OE1-NH2 2.75Å; E978-R982 PolarHBondContact OE1-NH2 3.17Å
979L81.8Confident78.8Confident9 Ų968.7 Ų68.75%0.04735%0.346CS..Hα-helixtrans-72-41.4176-72.6169.5000111.9L956 H975 I976 A981 R982L956-L979 HydrophobicContact CD1-CB 4.08Å; H975-L979 PolarHBondContact O-N 2.87Å; I976-L979 PolarHBondContact O-N 3.3Å; L979-A981 PolarHBondContact O-N 2.73Å; L979-R982 WeakPolarHBondContact O-CB 3.11Å; L979-R982 PolarHBondContact O-N 2.89Å
980E82.5Confident79.3Confident1 Ų166.6 Ų66.61%0.00533%0.33CS..Hα-helixtrans-59.1-38.8175.2-73.7-177.8163.400112R930 H931 L934 L956 I976 R982 L983R930-E980 PolarHBondContact NH2-O 3.03Å; H931-E980 VanDerWaalsContact CA-OE1 3.25Å; H931-E980 WeakPolarHBondContact CA-OE1 3.49Å; H931-E980 WeakPolarHBondContact CA-OE2 3.39Å; H931-E980 WeakPolarHBondContact CB-OE1 3.24Å; H931-E980 IonicContact CE1-OE1 3.13Å; H931-E980 IonicContact CG-OE1 2.92Å; H931-E980 IonicContact ND1-OE1 3.37Å; H931-E980 PolarHBondContact ND1-OE1 3.43Å; L934-E980 HydrophobicContact CD1-CB 4.16Å; L934-E980 HydrophobicContact CD1-CG 3.78Å; L956-E980 HydrophobicContact CD1-CG 4.15Å; I976-E980 HydrophobicContact CG2-CG 4.23Å; I976-E980 WeakPolarHBondContact O-CB 3.4Å; I976-E980 VanDerWaalsContact O-CG 3.31Å; I976-E980 WeakPolarHBondContact O-CG 3.43Å; I976-E980 PolarHBondContact O-N 3.4Å; E980-R982 PolarHBondContact O-N 3.46Å; E980-L983 PolarHBondContact O-N 3.49Å
981A79.9Confident79.9Confident65 Ų6565.5 Ų65.554%0.53732%0.32SS..THydrogen-bonded Turntrans-59.3-16.2175.100000113.3Y977 L979Y977-A981 WeakPolarHBondContact O-CB 3.48Å; Y977-A981 PolarHBondContact O-N 3.28Å; L979-A981 PolarHBondContact O-N 2.73Å
982R80.2Confident80.3Confident153 Ų15365 Ų6558%0.57732%0.315SS*.THydrogen-bonded Turntrans-97.8-4.8-179-58.1175-172-174.42.5115E978 L979 E980E978-R982 IonicContact OE1-CZ 3.65Å; E978-R982 IonicContact OE1-NH2 2.75Å; E978-R982 PolarHBondContact OE1-NH2 3.17Å; L979-R982 WeakPolarHBondContact O-CB 3.11Å; L979-R982 PolarHBondContact O-N 2.89Å; E980-R982 PolarHBondContact O-N 3.46Å
983L79.5Confident80.6Confident30 Ų3065 Ų6516%0.15732%0.324CS..  trans-75.7123.2-174.5-172.467.8000113.8L934 I953 L956 E980 I985L934-L983 HydrophobicContact CD1-CD2 4.3Å; L934-L983 HydrophobicContact CD2-CD2 3.83Å; I953-L983 HydrophobicContact CD1-CD1 4.27Å; L956-L983 HydrophobicContact CD2-CB 4.28Å; L956-L983 HydrophobicContact CD2-CD1 3.7Å; L956-L983 HydrophobicContact CD2-CD2 3.98Å; L956-L983 HydrophobicContact CD2-CG 4.2Å; E980-L983 PolarHBondContact O-N 3.49Å; L983-I985 HydrophobicContact CD2-CD1 4.17Å; L983-I985 HydrophobicContact CD2-CG1 4.05Å; L983-I985 HydrophobicContact CG-CG1 4.15Å; L983-I985 PolarHBondContact O-N 3.43Å
984P76.6Confident80.8Confident39 Ų3964.1 Ų64.125%0.25332%0.319SS..  trans-91.476.3-174.935.6-34.6000114.1K947 C950K947-P984 HydrophobicContact CD-CB 4.34Å; K947-P984 PolarHBondContact N-O 3.22Å; C950-P984 HydrophobicContact CB-CG 3.81Å
985I81.9Confident81.1Confident10 Ų1064.6 Ų64.65%0.05131%0.309CS..BIsolated β-bridgetrans-69.3135.6177.6-55.8178.1000111.7L229 L232 L934 K947 L983 F987L229-I985 HydrophobicContact CD2-CG2 4.02Å; L232-I985 HydrophobicContact CD1-CD1 3.99Å; L934-I985 HydrophobicContact CD2-CD1 4.16Å; K947-I985 WeakPolarHBondContact CE-O 3.4Å; L983-I985 HydrophobicContact CD2-CD1 4.17Å; L983-I985 HydrophobicContact CD2-CG1 4.05Å; L983-I985 HydrophobicContact CG-CG1 4.15Å; L983-I985 PolarHBondContact O-N 3.43Å; I985-F987 HydrophobicContact CB-CE1 4.41Å; I985-F987 HydrophobicContact CB-CE2 4Å; I985-F987 HydrophobicContact CB-CZ 3.93Å; I985-F987 HydrophobicContact CD1-CZ 4.33Å; I985-F987 HydrophobicContact CG2-CD1 4.13Å; I985-F987 HydrophobicContact CG2-CD2 4.48Å; I985-F987 HydrophobicContact CG2-CE1 3.81Å; I985-F987 HydrophobicContact CG2-CE2 4.19Å; I985-F987 HydrophobicContact CG2-CG 4.46Å; I985-F987 HydrophobicContact CG2-CZ 3.85Å; I985-F987 PolarHBondContact O-N 3.15Å
986D84.1Confident81.1Confident18 Ų1867.7 Ų67.710%0.09632%0.324CS..  trans-91.388.7175-165.70.5000112.6P945 K947 K988 Y989P945-D986 PolarHBondContact O-N 3.49Å; K947-D986 HydrophobicContact CG-CB 3.89Å; D986-K988 PolarHBondContact O-N 3.15Å; D986-K988 WeakPolarHBondContact OD1-CB 3.41Å; D986-K988 WeakPolarHBondContact OD1-CG 3.46Å; D986-K988 PolarHBondContact OD1-N 3.28Å; D986-Y989 HydrophobicContact CB-CD2 4.29Å; D986-Y989 HydrophobicContact CB-CE2 4.42Å
987F85.7Confident81Confident37 Ų3768.5 Ų68.516%0.16233%0.327CS..G310 helixtrans-68.26.9173.7-57.8-73.5000114.2L232 Y233 I985 Y989 L990 R995L232-F987 HydrophobicContact CB-CE1 4.04Å; L232-F987 HydrophobicContact CB-CZ 4.35Å; Y233-F987 HydrophobicContact CD2-CB 4.33Å; Y233-F987 HydrophobicContact CD2-CD1 4.1Å; Y233-F987 HydrophobicContact CD2-CD2 4.13Å; Y233-F987 HydrophobicContact CD2-CE1 4.44Å; Y233-F987 HydrophobicContact CD2-CE2 4.46Å; Y233-F987 AromaticContact CD2-CG 3.93Å; Y233-F987 HydrophobicContact CD2-CG 3.93Å; Y233-F987 HydrophobicContact CG-CD1 4.45Å; I985-F987 HydrophobicContact CB-CE1 4.41Å; I985-F987 HydrophobicContact CB-CE2 4Å; I985-F987 HydrophobicContact CB-CZ 3.93Å; I985-F987 HydrophobicContact CD1-CZ 4.33Å; I985-F987 HydrophobicContact CG2-CD1 4.13Å; I985-F987 HydrophobicContact CG2-CD2 4.48Å; I985-F987 HydrophobicContact CG2-CE1 3.81Å; I985-F987 HydrophobicContact CG2-CE2 4.19Å; I985-F987 HydrophobicContact CG2-CG 4.46Å; I985-F987 HydrophobicContact CG2-CZ 3.85Å; I985-F987 PolarHBondContact O-N 3.15Å; F987-Y989 VanDerWaalsContact C-N 3.27Å; F987-Y989 PolarHBondContact O-N 3.21Å; F987-L990 WeakPolarHBondContact O-CB 3.49Å; F987-L990 PolarHBondContact O-N 3.39Å; F987-R995 WeakPolarHBondContact O-CD 3Å; F987-R995 PolarHBondContact O-NE 3.09Å; F987-R995 PolarHBondContact O-NH1 2.83Å
988K82.6Confident80.6Confident155 Ų15573.5 Ų73.567%0.67436%0.362SS*.G310 helixtrans-66.8-26.9171.5-73174.7-174.3173.50113.5D986 L990D986-K988 PolarHBondContact O-N 3.15Å; D986-K988 WeakPolarHBondContact OD1-CB 3.41Å; D986-K988 WeakPolarHBondContact OD1-CG 3.46Å; D986-K988 PolarHBondContact OD1-N 3.28Å; K988-L990 PolarHBondContact O-N 3.25Å
989Y79.2Confident80.6Confident164 Ų16472.2 Ų72.264%0.64336%0.358SS*.G310 helixtrans-71.3-8.4174.7-70.9-100.5000112.9P945 D986 F987P945-Y989 HydrophobicContact CB-CD1 4.16Å; P945-Y989 HydrophobicContact CB-CD2 3.28Å; P945-Y989 HydrophobicContact CB-CE1 4.29Å; P945-Y989 HydrophobicContact CB-CE2 3.46Å; P945-Y989 VanDerWaalsContact CB-CE2 3.46Å; P945-Y989 HydrophobicContact CB-CG 3.67Å; P945-Y989 HydrophobicContact CG-CD1 4.4Å; P945-Y989 HydrophobicContact CG-CD2 3.7Å; P945-Y989 HydrophobicContact CG-CE2 4.37Å; P945-Y989 HydrophobicContact CG-CG 3.72Å; D986-Y989 HydrophobicContact CB-CD2 4.29Å; D986-Y989 HydrophobicContact CB-CE2 4.42Å; F987-Y989 VanDerWaalsContact C-N 3.27Å; F987-Y989 PolarHBondContact O-N 3.21Å
990L82.3Confident80.3Confident2 Ų276 Ų761%0.0138%0.375CS..SBendtrans-92.1123169.2-166.169.8000109.4L229 F230 F987 K988 K992 L994 R995L229-L990 HydrophobicContact CB-CD1 4.24Å; F230-L990 HydrophobicContact CB-CD1 4.16Å; F230-L990 HydrophobicContact CD2-CD2 4.44Å; F987-L990 WeakPolarHBondContact O-CB 3.49Å; F987-L990 PolarHBondContact O-N 3.39Å; K988-L990 PolarHBondContact O-N 3.25Å; L990-K992 PolarHBondContact O-N 3.22Å; L990-L994 HydrophobicContact CD1-CB 4.16Å; L990-L994 HydrophobicContact CD1-CD1 3.58Å; L990-L994 HydrophobicContact CD2-CB 4.1Å; L990-L994 HydrophobicContact CG-CB 3.81Å; L990-L994 HydrophobicContact CG-CD1 4Å; L990-R995 HydrophobicContact CB-CG 4.44Å; L990-R995 HydrophobicContact CD2-CG 3.83Å; L990-R995 HydrophobicContact CG-CG 4.36Å; L990-R995 PolarHBondContact O-NE 2.85Å; L990-R995 PolarHBondContact O-NH2 3.08Å
991D81.7Confident80Confident108 Ų10882.6 Ų82.658%0.57840%0.404SS*.  trans-50.7139-178.9-82.7-15.3000111.7P993 L994D991-P993 VanDerWaalsContact C-N 3.34Å; D991-L994 HydrophobicContact CB-CD1 3.96Å; D991-L994 HydrophobicContact CB-CG 4.25Å; D991-L994 VanDerWaalsContact O-CB 3.3Å; D991-L994 WeakPolarHBondContact O-CB 2.84Å; D991-L994 PolarHBondContact O-N 3.42Å
992K79.8Confident80Confident154 Ų15483.3 Ų83.367%0.6740%0.396SS*.G310 helixtrans-50.6-42-174.7-69.4-179.3179.6177.60114.7L990 L994 R995L990-K992 PolarHBondContact O-N 3.22Å; K992-L994 PolarHBondContact O-N 3.27Å; K992-R995 PolarHBondContact O-N 3.18Å; K992-R995 VanDerWaalsContact O-N 3.16Å
993P79.7Confident80.2Confident97 Ų9776.6 Ų76.663%0.6337%0.372SS*.G310 helixtrans-59.6-30.4177.4-23.134.7000113.4D991 R995D991-P993 VanDerWaalsContact C-N 3.34Å; P993-R995 VanDerWaalsContact C-N 3.28Å; P993-R995 PolarHBondContact O-N 3.23Å
994L80.4Confident80.3Confident15 Ų1578.7 Ų78.78%0.07938%0.383CS..G310 helixtrans-74.7-17.8-178.6-59.7173.1000112.8F230 Y234 L990 D991 K992 K1006 M1010F230-L994 HydrophobicContact CD2-CB 4.22Å; F230-L994 HydrophobicContact CD2-CD2 4.45Å; F230-L994 HydrophobicContact CE2-CB 4.42Å; F230-L994 HydrophobicContact CE2-CD2 4.43Å; Y234-L994 WeakPolarHBondContact CE2-O 3.5Å; Y234-L994 PolarHBondContact OH-O 3.29Å; L990-L994 HydrophobicContact CD1-CB 4.16Å; L990-L994 HydrophobicContact CD1-CD1 3.58Å; L990-L994 HydrophobicContact CD2-CB 4.1Å; L990-L994 HydrophobicContact CG-CB 3.81Å; L990-L994 HydrophobicContact CG-CD1 4Å; D991-L994 HydrophobicContact CB-CD1 3.96Å; D991-L994 HydrophobicContact CB-CG 4.25Å; D991-L994 VanDerWaalsContact O-CB 3.3Å; D991-L994 WeakPolarHBondContact O-CB 2.84Å; D991-L994 PolarHBondContact O-N 3.42Å; K992-L994 PolarHBondContact O-N 3.27Å; L994-K1006 HydrophobicContact CD2-CD 4.11Å; L994-K1006 HydrophobicContact CD2-CG 3.88Å; L994-M1010 HydrophobicContact CD1-CE 3.72Å; L994-M1010 HydrophobicContact CD2-CE 3.64Å; L994-M1010 HydrophobicContact CG-CE 4.33Å
995R81.7Confident80.6Confident68 Ų6881.5 Ų81.526%0.25739%0.389SS..G310 helixtrans-96.2-9.7179.4-73.1-176.8-80.7172-10.7114.7Y233 F987 L990 K992 P993Y233-R995 HydrophobicContact CE1-CB 4.2Å; Y233-R995 HydrophobicContact CE1-CG 4.28Å; Y233-R995 HydrophobicContact CE2-CG 4.36Å; Y233-R995 PolarHBondContact OH-O 3.19Å; F987-R995 WeakPolarHBondContact O-CD 3Å; F987-R995 PolarHBondContact O-NE 3.09Å; F987-R995 PolarHBondContact O-NH1 2.83Å; L990-R995 HydrophobicContact CB-CG 4.44Å; L990-R995 HydrophobicContact CD2-CG 3.83Å; L990-R995 HydrophobicContact CG-CG 4.36Å; L990-R995 PolarHBondContact O-NE 2.85Å; L990-R995 PolarHBondContact O-NH2 3.08Å; K992-R995 PolarHBondContact O-N 3.18Å; K992-R995 VanDerWaalsContact O-N 3.16Å; P993-R995 VanDerWaalsContact C-N 3.28Å; P993-R995 PolarHBondContact O-N 3.23Å
996Q80.1Confident80.7Confident153 Ų15383.7 Ų83.772%0.71540%0.398SS*.  trans-102.914.5-171.5-70.5-177.4-19.600113.5
997M78.9Confident80.8Confident29 Ų2983.7 Ų83.714%0.14340%0.4CS..  trans-84.6132.1-175.2-38.8173.165.500108.5F230 Y234 E1002 V1003 K1006F230-M997 HydrophobicContact CE2-SD 3.85Å; F230-M997 HydrophobicContact CZ-SD 4.12Å; Y234-M997 HydrophobicContact CE1-CB 4.38Å; Y234-M997 HydrophobicContact CE2-SD 4.44Å; Y234-M997 WeakPolarHBondContact OH-CB 3.39Å; Y234-M997 WeakPolarHBondContact OH-CG 3.3Å; Y234-M997 PolarHBondContact OH-N 3.46Å; M997-E1002 HydrophobicContact CE-CB 3.53Å; M997-E1002 WeakPolarHBondContact CE-O 3.4Å; M997-V1003 HydrophobicContact CB-CG2 3.99Å; M997-K1006 HydrophobicContact CE-CB 3.96Å; M997-K1006 HydrophobicContact CE-CG 4.46Å; M997-K1006 HydrophobicContact SD-CB 4.32Å; M997-K1006 HydrophobicContact SD-CG 4.42Å
998T75.4Confident80.6Confident138 Ų13888 Ų8885%0.84742%0.421SS*.  trans-110.9-21-176.349.80000112.9
999D78.1Confident80.8Confident71 Ų7183.1 Ų83.138%0.3840%0.401SS..  trans-92.8122.6178.7-178.78.1000110.5K1001 E1002 V1003D999-K1001 PolarHBondContact O-N 3.5Å; D999-K1001 PolarHBondContact OD1-N 3.03Å; D999-E1002 HydrophobicContact CB-CB 4.21Å; D999-E1002 HydrophobicContact CB-CG 3.9Å; D999-E1002 WeakPolarHBondContact O-CB 3.48Å; D999-E1002 PolarHBondContact O-N 2.71Å; D999-V1003 WeakPolarHBondContact O-CG2 3.38Å; D999-V1003 PolarHBondContact O-N 3.38Å; D999-V1003 VanDerWaalsContact O-N 3.09Å
1000E76.6Confident81.2Confident89 Ų8975.7 Ų75.742%0.41637%0.372SS..Hα-helixtrans-52.7-30.2175.5-166.1-171.9172.600111.5R926 V1003 N1004R926-E1000 IonicContact NH2-OE1 2.87Å; R926-E1000 PolarHBondContact NH2-OE1 3.03Å; E1000-V1003 PolarHBondContact O-N 2.9Å; E1000-N1004 WeakPolarHBondContact O-CB 3.49Å; E1000-N1004 PolarHBondContact O-N 3.42Å; E1000-N1004 PolarHBondContact O-ND2 3.49Å
1001K76.1Confident81.4Confident139 Ų13978.3 Ų78.360%0.60438%0.384SS*.Hα-helixtrans-72.3-38.4176.5-65.3178-179.21710113.1D999 V1003 R1005D999-K1001 PolarHBondContact O-N 3.5Å; D999-K1001 PolarHBondContact OD1-N 3.03Å; K1001-V1003 VanDerWaalsContact C-N 3.28Å; K1001-R1005 VanDerWaalsContact O-CB 3.27Å; K1001-R1005 WeakPolarHBondContact O-CB 3.32Å; K1001-R1005 PolarHBondContact O-N 2.79Å
1002E80.1Confident81.5Confident81 Ų8178 Ų7838%0.37938%0.383SS..Hα-helixtrans-65.5-40.3175.2-68.9-173.1150.100110M997 D999 R1005 K1006M997-E1002 HydrophobicContact CE-CB 3.53Å; M997-E1002 WeakPolarHBondContact CE-O 3.4Å; D999-E1002 HydrophobicContact CB-CB 4.21Å; D999-E1002 HydrophobicContact CB-CG 3.9Å; D999-E1002 WeakPolarHBondContact O-CB 3.48Å; D999-E1002 PolarHBondContact O-N 2.71Å; E1002-R1005 PolarHBondContact O-N 2.95Å; E1002-K1006 WeakPolarHBondContact O-CB 3.34Å; E1002-K1006 PolarHBondContact O-N 2.97Å
1003V83.2Confident81.8Confident11 Ų1174.3 Ų74.37%0.06737%0.368CS..Hα-helixtrans-60.4-53.9176.7173.20000111.6F230 Y234 M997 D999 E1000 K1001 R1005 K1006 A1007F230-V1003 HydrophobicContact CE1-CG1 4.12Å; F230-V1003 VanDerWaalsContact CE1-O 3.29Å; F230-V1003 WeakPolarHBondContact CE1-O 3.41Å; F230-V1003 HydrophobicContact CZ-CG1 4.07Å; F230-V1003 WeakPolarHBondContact CZ-O 3.37Å; Y234-V1003 HydrophobicContact CD1-CB 4.18Å; Y234-V1003 HydrophobicContact CD1-CG1 3.7Å; Y234-V1003 HydrophobicContact CD1-CG2 3.39Å; Y234-V1003 HydrophobicContact CD2-CB 4.34Å; Y234-V1003 HydrophobicContact CD2-CG1 3.41Å; Y234-V1003 VanDerWaalsContact CD2-CG1 3.41Å; Y234-V1003 HydrophobicContact CD2-CG2 4.07Å; Y234-V1003 HydrophobicContact CE1-CB 4.35Å; Y234-V1003 HydrophobicContact CE1-CG1 4.26Å; Y234-V1003 HydrophobicContact CE1-CG2 3.19Å; Y234-V1003 HydrophobicContact CE2-CB 4.48Å; Y234-V1003 HydrophobicContact CE2-CG1 3.99Å; Y234-V1003 HydrophobicContact CE2-CG2 3.89Å; Y234-V1003 HydrophobicContact CG-CB 4.19Å; Y234-V1003 HydrophobicContact CG-CG1 3.25Å; Y234-V1003 HydrophobicContact CG-CG2 3.84Å; Y234-V1003 VanDerWaalsContact CZ-CG2 3.49Å; M997-V1003 HydrophobicContact CB-CG2 3.99Å; D999-V1003 WeakPolarHBondContact O-CG2 3.38Å; D999-V1003 PolarHBondContact O-N 3.38Å; D999-V1003 VanDerWaalsContact O-N 3.09Å; E1000-V1003 PolarHBondContact O-N 2.9Å; K1001-V1003 VanDerWaalsContact C-N 3.28Å; V1003-R1005 VanDerWaalsContact C-N 3.34Å; V1003-R1005 PolarHBondContact O-N 3.37Å; V1003-K1006 PolarHBondContact O-N 2.68Å; V1003-K1006 VanDerWaalsContact O-N 3.16Å; V1003-A1007 PolarHBondContact O-N 2.88Å
1004N81.7Confident82.1Confident74 Ų7469.9 Ų69.940%0.39634%0.339SS..Hα-helixtrans-63.2-39.8-179.8-73-25.9000111.9E1000 K1006 A1007 E1008E1000-N1004 WeakPolarHBondContact O-CB 3.49Å; E1000-N1004 PolarHBondContact O-N 3.42Å; E1000-N1004 PolarHBondContact O-ND2 3.49Å; N1004-K1006 VanDerWaalsContact C-N 3.28Å; N1004-K1006 PolarHBondContact O-N 3.28Å; N1004-A1007 PolarHBondContact O-N 2.84Å; N1004-E1008 PolarHBondContact O-N 3.22Å
1005R82.6Confident82.3Confident98 Ų9872 Ų7237%0.3735%0.351SS..Hα-helixtrans-59.5-42.4175.6-169.7-176.281-159.5-4.5111.1H496 K1001 E1002 V1003 E1008 E1009H496-R1005 PolarHBondContact ND1-NH1 3.04Å; K1001-R1005 VanDerWaalsContact O-CB 3.27Å; K1001-R1005 WeakPolarHBondContact O-CB 3.32Å; K1001-R1005 PolarHBondContact O-N 2.79Å; E1002-R1005 PolarHBondContact O-N 2.95Å; V1003-R1005 VanDerWaalsContact C-N 3.34Å; V1003-R1005 PolarHBondContact O-N 3.37Å; R1005-E1008 PolarHBondContact O-N 3.04Å; R1005-E1009 IonicContact NE-OE1 2.67Å; R1005-E1009 PolarHBondContact NE-OE1 2.92Å; R1005-E1009 WeakPolarHBondContact O-CB 3.09Å; R1005-E1009 VanDerWaalsContact O-CG 3.26Å; R1005-E1009 WeakPolarHBondContact O-CG 3.47Å; R1005-E1009 PolarHBondContact O-N 3.35Å
1006K84.8Confident82.4Confident56 Ų5671.8 Ų71.824%0.24336%0.359CS..Hα-helixtrans-70.9-37.3180-16374.8-160.5159.40112.2F230 L994 M997 E1002 V1003 N1004 E1009 M1010F230-K1006 HydrophobicContact CE1-CB 4.22Å; F230-K1006 HydrophobicContact CE2-CB 4.03Å; F230-K1006 HydrophobicContact CE2-CG 3.84Å; F230-K1006 HydrophobicContact CZ-CB 3.59Å; F230-K1006 HydrophobicContact CZ-CG 3.93Å; L994-K1006 HydrophobicContact CD2-CD 4.11Å; L994-K1006 HydrophobicContact CD2-CG 3.88Å; M997-K1006 HydrophobicContact CE-CB 3.96Å; M997-K1006 HydrophobicContact CE-CG 4.46Å; M997-K1006 HydrophobicContact SD-CB 4.32Å; M997-K1006 HydrophobicContact SD-CG 4.42Å; E1002-K1006 WeakPolarHBondContact O-CB 3.34Å; E1002-K1006 PolarHBondContact O-N 2.97Å; V1003-K1006 PolarHBondContact O-N 2.68Å; V1003-K1006 VanDerWaalsContact O-N 3.16Å; N1004-K1006 VanDerWaalsContact C-N 3.28Å; N1004-K1006 PolarHBondContact O-N 3.28Å; K1006-E1009 WeakPolarHBondContact CD-OE2 3.4Å; K1006-E1009 IonicContact NZ-OE2 2.7Å; K1006-E1009 PolarHBondContact NZ-OE2 3.2Å; K1006-E1009 PolarHBondContact O-N 3.18Å; K1006-M1010 HydrophobicContact CG-CE 4.16Å; K1006-M1010 WeakPolarHBondContact O-CG 3.48Å; K1006-M1010 PolarHBondContact O-N 2.98Å
1007A85.6Confident82.6Confident18 Ų1865.6 Ų65.615%0.14933%0.33CS..Hα-helixtrans-60.4-45.5172.700000111.6F230 V1003 N1004 M1010 Q1011F230-A1007 HydrophobicContact CD1-CB 4.08Å; F230-A1007 HydrophobicContact CE1-CB 3.75Å; V1003-A1007 PolarHBondContact O-N 2.88Å; N1004-A1007 PolarHBondContact O-N 2.84Å; A1007-M1010 PolarHBondContact O-N 2.67Å; A1007-Q1011 WeakPolarHBondContact O-CB 3.27Å; A1007-Q1011 PolarHBondContact O-N 2.93Å
1008E83.1Confident82.8Confident127 Ų12767.2 Ų67.259%0.59334%0.34SS*.Hα-helixtrans-67.5-40.4177.1-77.5-175.9174.800112.5N1004 R1005 M1010 Q1011 N1012N1004-E1008 PolarHBondContact O-N 3.22Å; R1005-E1008 PolarHBondContact O-N 3.04Å; E1008-M1010 VanDerWaalsContact C-N 3.29Å; E1008-M1010 PolarHBondContact O-N 2.91Å; E1008-Q1011 PolarHBondContact O-N 2.96Å; E1008-N1012 VanDerWaalsContact O-CB 3.29Å; E1008-N1012 WeakPolarHBondContact O-CB 3.4Å; E1008-N1012 VanDerWaalsContact O-CG 3.27Å; E1008-N1012 PolarHBondContact O-N 2.9Å; E1008-N1012 PolarHBondContact O-ND2 3.38Å
1009E85.5Confident83.1Confident54 Ų5465.2 Ų65.225%0.25232%0.324SS..Hα-helixtrans-57.2-45.6174-79.4171.4-161.200110.9R1005 K1006 Q1013R1005-E1009 IonicContact NE-OE1 2.67Å; R1005-E1009 PolarHBondContact NE-OE1 2.92Å; R1005-E1009 WeakPolarHBondContact O-CB 3.09Å; R1005-E1009 VanDerWaalsContact O-CG 3.26Å; R1005-E1009 WeakPolarHBondContact O-CG 3.47Å; R1005-E1009 PolarHBondContact O-N 3.35Å; K1006-E1009 WeakPolarHBondContact CD-OE2 3.4Å; K1006-E1009 IonicContact NZ-OE2 2.7Å; K1006-E1009 PolarHBondContact NZ-OE2 3.2Å; K1006-E1009 PolarHBondContact O-N 3.18Å; E1009-Q1013 VanDerWaalsContact O-CG 3.26Å; E1009-Q1013 WeakPolarHBondContact O-CG 3.13Å; E1009-Q1013 PolarHBondContact O-N 3.39Å
1010M87.2Confident83.1Confident7 Ų764.4 Ų64.43%0.03432%0.324CS..Hα-helixtrans-70.6-39.2178-69.2177.3174.700112.4E226 L227 F230 L994 K1006 A1007 E1008 Q1013 V1014E226-M1010 HydrophobicContact CG-CE 4.04Å; E226-M1010 HydrophobicContact CG-SD 4.44Å; L227-M1010 HydrophobicContact CB-CB 4.42Å; L227-M1010 HydrophobicContact CD1-CB 3.57Å; F230-M1010 HydrophobicContact CB-SD 4.02Å; F230-M1010 HydrophobicContact CD1-SD 4.47Å; F230-M1010 HydrophobicContact CD2-CE 4.34Å; F230-M1010 HydrophobicContact CD2-SD 4.4Å; F230-M1010 HydrophobicContact CG-SD 4.03Å; L994-M1010 HydrophobicContact CD1-CE 3.72Å; L994-M1010 HydrophobicContact CD2-CE 3.64Å; L994-M1010 HydrophobicContact CG-CE 4.33Å; K1006-M1010 HydrophobicContact CG-CE 4.16Å; K1006-M1010 WeakPolarHBondContact O-CG 3.48Å; K1006-M1010 PolarHBondContact O-N 2.98Å; A1007-M1010 PolarHBondContact O-N 2.67Å; E1008-M1010 VanDerWaalsContact C-N 3.29Å; E1008-M1010 PolarHBondContact O-N 2.91Å; M1010-Q1013 WeakPolarHBondContact O-CB 3.34Å; M1010-Q1013 PolarHBondContact O-N 3.49Å; M1010-V1014 WeakPolarHBondContact O-CG2 3.12Å; M1010-V1014 PolarHBondContact O-N 3.46Å; M1010-V1014 VanDerWaalsContact O-N 3.1Å
1011Q87.8Confident83.2Confident58 Ų5861.6 Ų61.627%0.27131%0.311SS..Hα-helixtrans-65.1-43.5176-173.769.558.400111.7A1007 E1008 Q1013 V1014 D1015A1007-Q1011 WeakPolarHBondContact O-CB 3.27Å; A1007-Q1011 PolarHBondContact O-N 2.93Å; E1008-Q1011 PolarHBondContact O-N 2.96Å; Q1011-Q1013 VanDerWaalsContact C-N 3.27Å; Q1011-Q1013 PolarHBondContact O-N 3.22Å; Q1011-V1014 CarbonylContact O-C 3.51Å; Q1011-V1014 WeakPolarHBondContact O-CA 3.29Å; Q1011-V1014 WeakPolarHBondContact O-CB 3.4Å; Q1011-V1014 PolarHBondContact O-N 2.9Å; Q1011-V1014 VanDerWaalsContact O-N 3.08Å; Q1011-D1015 PolarHBondContact NE2-OD1 3.49Å; Q1011-D1015 PolarHBondContact O-N 3.38Å
1012N84.1Confident83.3Confident101 Ų10159 Ų5954%0.5432%0.316SS..Hα-helixtrans-63.6-34.6176.8-76.9-48.7000112.1E1008 S1016E1008-N1012 VanDerWaalsContact O-CB 3.29Å; E1008-N1012 WeakPolarHBondContact O-CB 3.4Å; E1008-N1012 VanDerWaalsContact O-CG 3.27Å; E1008-N1012 PolarHBondContact O-N 2.9Å; E1008-N1012 PolarHBondContact O-ND2 3.38Å; N1012-S1016 WeakPolarHBondContact O-CB 3.14Å; N1012-S1016 PolarHBondContact O-N 2.93Å; N1012-S1016 PolarHBondContact O-OG 2.76Å
1013Q85.3Confident83Confident76 Ų7665.2 Ų65.236%0.35534%0.336SS..Hα-helixtrans-60.7-50.1171.1-73.4170.920.300110E1009 M1010 Q1011 D1015 S1016 M1017E1009-Q1013 VanDerWaalsContact O-CG 3.26Å; E1009-Q1013 WeakPolarHBondContact O-CG 3.13Å; E1009-Q1013 PolarHBondContact O-N 3.39Å; M1010-Q1013 WeakPolarHBondContact O-CB 3.34Å; M1010-Q1013 PolarHBondContact O-N 3.49Å; Q1011-Q1013 VanDerWaalsContact C-N 3.27Å; Q1011-Q1013 PolarHBondContact O-N 3.22Å; Q1013-D1015 PolarHBondContact O-N 3.48Å; Q1013-S1016 PolarHBondContact O-N 3.18Å; Q1013-S1016 PolarHBondContact O-OG 3.32Å; Q1013-M1017 WeakPolarHBondContact O-CG 3.19Å; Q1013-M1017 PolarHBondContact O-N 3.31Å; Q1013-M1017 VanDerWaalsContact O-N 3.14Å
1014V86.2Confident82.3Confident5 Ų567.1 Ų67.13%0.0335%0.345CS..Hα-helixtrans-59.8-46.4176.8172.20000112.3L220 K223 R224 L227 M1010 Q1011 S1016 M1017 L1018L220-V1014 HydrophobicContact CD1-CG1 3.97Å; K223-V1014 HydrophobicContact CB-CG2 4.1Å; R224-V1014 HydrophobicContact CG-CG1 4.06Å; R224-V1014 HydrophobicContact CG-CG2 4.26Å; L227-V1014 HydrophobicContact CD2-CG2 4.05Å; M1010-V1014 WeakPolarHBondContact O-CG2 3.12Å; M1010-V1014 PolarHBondContact O-N 3.46Å; M1010-V1014 VanDerWaalsContact O-N 3.1Å; Q1011-V1014 CarbonylContact O-C 3.51Å; Q1011-V1014 WeakPolarHBondContact O-CA 3.29Å; Q1011-V1014 WeakPolarHBondContact O-CB 3.4Å; Q1011-V1014 PolarHBondContact O-N 2.9Å; Q1011-V1014 VanDerWaalsContact O-N 3.08Å; V1014-S1016 PolarHBondContact O-N 2.92Å; V1014-M1017 PolarHBondContact O-N 3.49Å; V1014-L1018 HydrophobicContact CG1-CD1 4.1Å; V1014-L1018 WeakPolarHBondContact O-CB 3.42Å; V1014-L1018 PolarHBondContact O-N 3.31Å
1015D84.7Confident81.4Confident60 Ų6072 Ų7232%0.32137%0.365SS..Hα-helixtrans-68.2-36.1-178.7-68-9000112.3Q1011 Q1013 M1017 L1018 N1019Q1011-D1015 PolarHBondContact NE2-OD1 3.49Å; Q1011-D1015 PolarHBondContact O-N 3.38Å; Q1013-D1015 PolarHBondContact O-N 3.48Å; D1015-M1017 VanDerWaalsContact C-N 3.3Å; D1015-M1017 PolarHBondContact O-N 3.18Å; D1015-L1018 PolarHBondContact O-N 2.92Å; D1015-N1019 WeakPolarHBondContact O-CB 3.45Å; D1015-N1019 PolarHBondContact O-N 3.04Å; D1015-N1019 PolarHBondContact O-ND2 3.48Å
1016S84.1Confident80.5Confident63 Ų6371.6 Ų71.644%0.44138%0.383SS..Hα-helixtrans-64.8-37.6174.778.10000111.6N1012 Q1013 V1014 S1020N1012-S1016 WeakPolarHBondContact O-CB 3.14Å; N1012-S1016 PolarHBondContact O-N 2.93Å; N1012-S1016 PolarHBondContact O-OG 2.76Å; Q1013-S1016 PolarHBondContact O-N 3.18Å; Q1013-S1016 PolarHBondContact O-OG 3.32Å; V1014-S1016 PolarHBondContact O-N 2.92Å; S1016-S1020 VanDerWaalsContact O-CB 3.32Å; S1016-S1020 WeakPolarHBondContact O-CB 3.23Å; S1016-S1020 PolarHBondContact O-N 3.34Å; S1016-S1020 PolarHBondContact O-OG 3.38Å
1017M83.6Confident79.6Confident22 Ų2269.8 Ų69.811%0.10838%0.377CS..Hα-helixtrans-73.8-40.2178.2-66.3170.184.500110.8L216 E219 L220 K223 Q1013 V1014 D1015 S1020 L1021L216-M1017 HydrophobicContact CD1-CB 4.19Å; L216-M1017 HydrophobicContact CD1-CE 4.25Å; L216-M1017 HydrophobicContact CD1-CG 4.2Å; E219-M1017 VanDerWaalsContact C-CE 3.4Å; E219-M1017 HydrophobicContact CB-CE 3.25Å; L220-M1017 HydrophobicContact CB-CE 4.3Å; L220-M1017 HydrophobicContact CD1-CB 3.91Å; L220-M1017 VanDerWaalsContact N-CE 3.33Å; K223-M1017 HydrophobicContact CG-SD 4.36Å; Q1013-M1017 WeakPolarHBondContact O-CG 3.19Å; Q1013-M1017 PolarHBondContact O-N 3.31Å; Q1013-M1017 VanDerWaalsContact O-N 3.14Å; V1014-M1017 PolarHBondContact O-N 3.49Å; D1015-M1017 VanDerWaalsContact C-N 3.3Å; D1015-M1017 PolarHBondContact O-N 3.18Å; M1017-S1020 PolarHBondContact O-N 2.94Å; M1017-L1021 WeakPolarHBondContact O-CB 3.23Å; M1017-L1021 PolarHBondContact O-N 2.99Å
1018L83.2Confident78.7Confident64 Ų6472.9 Ų72.934%0.33539%0.391SS..Hα-helixtrans-60-47.4171.8-86.6173.5000112.6L220 V1014 D1015 S1020 L1021 A1022L220-L1018 HydrophobicContact CD1-CG 4.15Å; L220-L1018 HydrophobicContact CD2-CD2 4.03Å; L220-L1018 HydrophobicContact CD2-CG 4.4Å; V1014-L1018 HydrophobicContact CG1-CD1 4.1Å; V1014-L1018 WeakPolarHBondContact O-CB 3.42Å; V1014-L1018 PolarHBondContact O-N 3.31Å; D1015-L1018 PolarHBondContact O-N 2.92Å; L1018-S1020 VanDerWaalsContact C-N 3.29Å; L1018-S1020 PolarHBondContact O-N 3.4Å; L1018-L1021 PolarHBondContact O-N 2.94Å; L1018-L1021 VanDerWaalsContact O-N 3.16Å; L1018-A1022 WeakPolarHBondContact O-CB 3.08Å; L1018-A1022 PolarHBondContact O-N 3.34Å
1019N81.1Confident77.9Confident96 Ų9673 Ų7351%0.51340%0.395SS..Hα-helixtrans-64.8-35.2176.6-79.4-52.2000112.4D1015 L1021 R1023D1015-N1019 WeakPolarHBondContact O-CB 3.45Å; D1015-N1019 PolarHBondContact O-N 3.04Å; D1015-N1019 PolarHBondContact O-ND2 3.48Å; N1019-L1021 VanDerWaalsContact C-N 3.33Å; N1019-R1023 VanDerWaalsContact O-CG 3.26Å; N1019-R1023 WeakPolarHBondContact O-CG 3.46Å; N1019-R1023 PolarHBondContact O-N 3.46Å
1020S78.3Confident77Confident54 Ų5479.8 Ų79.838%0.37842%0.418SS..Hα-helixtrans-67.1-37.8174.2-61.60000111.1S1016 M1017 L1018 I1024S1016-S1020 VanDerWaalsContact O-CB 3.32Å; S1016-S1020 WeakPolarHBondContact O-CB 3.23Å; S1016-S1020 PolarHBondContact O-N 3.34Å; S1016-S1020 PolarHBondContact O-OG 3.38Å; M1017-S1020 PolarHBondContact O-N 2.94Å; L1018-S1020 VanDerWaalsContact C-N 3.29Å; L1018-S1020 PolarHBondContact O-N 3.4Å; S1020-I1024 WeakPolarHBondContact O-CG1 3.19Å
1021L79.7Confident76Confident30 Ų3079.5 Ų79.516%0.15742%0.417CS..Hα-helixtrans-73.7-38.5179.1-155.3145.4000111.8Y213 L216 Q217 L220 M1017 L1018 N1019 R1023 I1024Y213-L1021 HydrophobicContact CD2-CD2 4.45Å; Y213-L1021 HydrophobicContact CD2-CG 4.31Å; Y213-L1021 HydrophobicContact CE2-CD2 3.58Å; Y213-L1021 HydrophobicContact CE2-CG 3.91Å; L216-L1021 HydrophobicContact CD2-CB 3.85Å; L216-L1021 HydrophobicContact CD2-CD1 4.34Å; L216-L1021 HydrophobicContact CD2-CG 4.31Å; L216-L1021 HydrophobicContact CG-CD1 4.31Å; Q217-L1021 HydrophobicContact CB-CD1 4.27Å; L220-L1021 HydrophobicContact CD2-CD1 4.18Å; M1017-L1021 WeakPolarHBondContact O-CB 3.23Å; M1017-L1021 PolarHBondContact O-N 2.99Å; L1018-L1021 PolarHBondContact O-N 2.94Å; L1018-L1021 VanDerWaalsContact O-N 3.16Å; N1019-L1021 VanDerWaalsContact C-N 3.33Å; L1021-R1023 VanDerWaalsContact C-N 3.28Å; L1021-R1023 PolarHBondContact O-N 2.93Å; L1021-I1024 PolarHBondContact O-N 2.91Å; L1021-I1024 VanDerWaalsContact O-O 3.12Å
1022A76.7Confident75Confident84 Ų8479 Ų7969%0.69443%0.428SS*.Hα-helixtrans-67.9-23176.200000114.1L1018L1018-A1022 WeakPolarHBondContact O-CB 3.08Å; L1018-A1022 PolarHBondContact O-N 3.34Å
1023R74.3Confident74.5Confident212 Ų21280.4 Ų80.480%0.844%0.435SS*.Hα-helixtrans-78.4-21.7174.5-74.5172.6-174.2-168.93.3113.1N1019 L1021N1019-R1023 VanDerWaalsContact O-CG 3.26Å; N1019-R1023 WeakPolarHBondContact O-CG 3.46Å; N1019-R1023 PolarHBondContact O-N 3.46Å; L1021-R1023 VanDerWaalsContact C-N 3.28Å; L1021-R1023 PolarHBondContact O-N 2.93Å
1024I68.4Low73.8Confident50 Ų5080.6 Ų80.626%0.25644%0.435SS..SBendtrans-89.2109.3177.5-58.7166.6000106.1Y213 L216 S1020 L1021 A1026 P1027Y213-I1024 HydrophobicContact CD2-CB 4.25Å; Y213-I1024 HydrophobicContact CD2-CG2 3.89Å; L216-I1024 HydrophobicContact CD2-CD1 4.28Å; S1020-I1024 WeakPolarHBondContact O-CG1 3.19Å; L1021-I1024 PolarHBondContact O-N 2.91Å; L1021-I1024 VanDerWaalsContact O-O 3.12Å; I1024-A1026 PolarHBondContact O-N 2.94Å; I1024-P1027 HydrophobicContact CG2-CG 4.46Å
1025Q62.5Low73.3Confident178 Ų17882.1 Ų82.183%0.83244%0.442SS*.  trans-54.8134.4169.1-78.6-174.7-19.800108.5P1027Q1025-P1027 WeakPolarHBondContact O-CD 3.42Å
1026A65.3Low73.1Confident89 Ų8981.1 Ų81.174%0.73645%0.446SS*.  trans-46.7104.6-177.400000110.4I1024I1024-A1026 PolarHBondContact O-N 2.94Å
1027P65.1Low72.9Confident18 Ų1880.8 Ų80.812%0.11744%0.444CS..  trans-77.5157.5-167.927.9-31.1000110.7E209 A210 Y213 I1024 Q1025 L1029E209-P1027 HydrophobicContact CB-CB 4.33Å; A210-P1027 HydrophobicContact CB-CB 4.19Å; A210-P1027 HydrophobicContact CB-CG 4.3Å; Y213-P1027 HydrophobicContact CD1-CG 4.25Å; Y213-P1027 HydrophobicContact CD2-CG 4.09Å; Y213-P1027 HydrophobicContact CG-CG 3.72Å; I1024-P1027 HydrophobicContact CG2-CG 4.46Å; Q1025-P1027 WeakPolarHBondContact O-CD 3.42Å; P1027-L1029 PolarHBondContact O-N 3.48Å
1028N65.5Low72.9Confident83 Ų8380 Ų8044%0.44444%0.44SS..  trans-68.296.8176.4-176.38.1000110.4R1030 A1031N1028-R1030 PolarHBondContact O-N 3.3Å; N1028-R1030 PolarHBondContact OD1-N 2.9Å; N1028-A1031 VanDerWaalsContact O-CB 3.27Å; N1028-A1031 WeakPolarHBondContact O-CB 3.43Å; N1028-A1031 PolarHBondContact O-N 3.48Å
1029L66.8Low72.9Confident129 Ų12981.5 Ų81.568%0.67545%0.445SS*.THydrogen-bonded Turntrans-60.9-9.3179.3-67.3166.6000113.9P1027P1027-L1029 PolarHBondContact O-N 3.48Å
1030R67.9Low73.2Confident197 Ų19783.8 Ų83.874%0.74345%0.453SS*.THydrogen-bonded Turntrans-96.310.8173.2-64-175.1174.3173.4-1.5114.2N1028 G1032 D1033N1028-R1030 PolarHBondContact O-N 3.3Å; N1028-R1030 PolarHBondContact OD1-N 2.9Å; R1030-G1032 PolarHBondContact O-N 3.28Å; R1030-D1033 PolarHBondContact O-N 3.3Å
1031A64.5Low73.6Confident1 Ų186.5 Ų86.51%0.00846%0.455CS..Hα-helixtrans-63.1-26.7-177.700000114E206 I207 N1028 K1034 L1035E206-A1031 HydrophobicContact CB-CB 3.76Å; I207-A1031 HydrophobicContact CG1-CB 3.7Å; N1028-A1031 VanDerWaalsContact O-CB 3.27Å; N1028-A1031 WeakPolarHBondContact O-CB 3.43Å; N1028-A1031 PolarHBondContact O-N 3.48Å; A1031-K1034 WeakPolarHBondContact O-CB 3.44Å; A1031-K1034 PolarHBondContact O-N 2.93Å; A1031-L1035 PolarHBondContact O-N 2.91Å
1032G67Low74Confident48 Ų4885.8 Ų85.850%0.49545%0.451SS..Hα-helixtrans-60.2-46.3177.600000113.8R1030 K1034 L1035 G1036R1030-G1032 PolarHBondContact O-N 3.28Å; G1032-K1034 VanDerWaalsContact C-N 3.27Å; G1032-K1034 PolarHBondContact O-N 2.85Å; G1032-L1035 PolarHBondContact O-N 2.96Å; G1032-G1036 PolarHBondContact O-N 3.02Å
1033D73.9Confident74.6Confident130 Ų13091 Ų9170%0.69545%0.453SS*.Hα-helixtrans-65.7-33.7179.1-60.3-29.7000111.5R1030 S1037R1030-D1033 PolarHBondContact O-N 3.3Å; D1033-S1037 PolarHBondContact O-N 3.26Å
1034K70.2Confident75.3Confident80 Ų8083.7 Ų83.735%0.34843%0.434SS..Hα-helixtrans-65.1-43178-167177.1171.6-168.80111.2E206 A1031 G1032 S1037 V1038E206-K1034 IonicContact OE1-NZ 3.4Å; E206-K1034 PolarHBondContact OE1-NZ 3.02Å; E206-K1034 IonicContact OE2-NZ 3.12Å; E206-K1034 PolarHBondContact OE2-NZ 3.4Å; A1031-K1034 WeakPolarHBondContact O-CB 3.44Å; A1031-K1034 PolarHBondContact O-N 2.93Å; G1032-K1034 VanDerWaalsContact C-N 3.27Å; G1032-K1034 PolarHBondContact O-N 2.85Å; K1034-S1037 PolarHBondContact O-N 2.9Å; K1034-S1037 PolarHBondContact O-OG 3.49Å; K1034-V1038 VanDerWaalsContact O-CG2 3.27Å; K1034-V1038 WeakPolarHBondContact O-CG2 3.49Å; K1034-V1038 PolarHBondContact O-N 3.44Å; K1034-V1038 VanDerWaalsContact O-N 3.1Å
1035L77Confident76.2Confident36 Ų3681.4 Ų81.419%0.18842%0.423CS..Hα-helixtrans-63.4-45177.5-178.771.5000112.1R200 A203 I207 A1031 G1032 S1037 V1038 E1039R200-L1035 HydrophobicContact CG-CD1 4.15Å; A203-L1035 HydrophobicContact CB-CD1 4.37Å; I207-L1035 HydrophobicContact CD1-CB 3.38Å; I207-L1035 HydrophobicContact CD1-CD2 3.52Å; I207-L1035 HydrophobicContact CD1-CG 3.99Å; A1031-L1035 PolarHBondContact O-N 2.91Å; G1032-L1035 PolarHBondContact O-N 2.96Å; L1035-S1037 VanDerWaalsContact C-N 3.32Å; L1035-S1037 PolarHBondContact O-N 2.93Å; L1035-V1038 PolarHBondContact O-N 3.43Å; L1035-V1038 VanDerWaalsContact O-N 3.17Å; L1035-E1039 HydrophobicContact CD1-CG 4.18Å; L1035-E1039 HydrophobicContact CG-CG 4.24Å; L1035-E1039 WeakPolarHBondContact O-CG 3.35Å; L1035-E1039 PolarHBondContact O-N 3.39Å
1036G78.9Confident77.4Confident39 Ų3976.9 Ų76.940%0.40240%0.402SS..Hα-helixtrans-56.3-46.2177.900000112.2G1032 V1038 E1039 E1040G1032-G1036 PolarHBondContact O-N 3.02Å; G1036-V1038 PolarHBondContact O-N 2.82Å; G1036-E1039 PolarHBondContact O-N 2.85Å; G1036-E1040 PolarHBondContact O-N 3Å; G1036-E1040 VanDerWaalsContact O-N 3.08Å
1037S80.9Confident78.6Confident57 Ų5775.7 Ų75.740%0.39939%0.392SS..Hα-helixtrans-64.8-37.2177.873.80000113.6D1033 K1034 L1035 R1041D1033-S1037 PolarHBondContact O-N 3.26Å; K1034-S1037 PolarHBondContact O-N 2.9Å; K1034-S1037 PolarHBondContact O-OG 3.49Å; L1035-S1037 VanDerWaalsContact C-N 3.32Å; L1035-S1037 PolarHBondContact O-N 2.93Å; S1037-R1041 WeakPolarHBondContact O-CB 3.4Å; S1037-R1041 VanDerWaalsContact O-CG 3.31Å; S1037-R1041 WeakPolarHBondContact O-CG 3.26Å; S1037-R1041 PolarHBondContact O-N 3.2Å; S1037-R1041 VanDerWaalsContact O-N 3.08Å
1038V84.4Confident79.7Confident5 Ų578.8 Ų78.83%0.0341%0.405CS..Hα-helixtrans-73-37.8179.3172.60000111.2I196 E199 R200 K1034 L1035 G1036 R1041 L1042I196-V1038 HydrophobicContact CG2-CG1 4.03Å; E199-V1038 HydrophobicContact CB-CG1 4.21Å; E199-V1038 HydrophobicContact CB-CG2 4.45Å; R200-V1038 HydrophobicContact CB-CG1 3.74Å; R200-V1038 HydrophobicContact CG-CG1 4.28Å; K1034-V1038 VanDerWaalsContact O-CG2 3.27Å; K1034-V1038 WeakPolarHBondContact O-CG2 3.49Å; K1034-V1038 PolarHBondContact O-N 3.44Å; K1034-V1038 VanDerWaalsContact O-N 3.1Å; L1035-V1038 PolarHBondContact O-N 3.43Å; L1035-V1038 VanDerWaalsContact O-N 3.17Å; G1036-V1038 PolarHBondContact O-N 2.82Å; V1038-R1041 PolarHBondContact O-N 3.27Å; V1038-L1042 WeakPolarHBondContact O-CB 3.33Å; V1038-L1042 PolarHBondContact O-N 3.27Å
1039E83.2Confident80.9Confident95 Ų9576.1 Ų76.144%0.44439%0.389SS..Hα-helixtrans-66.1-40.5175.6-73.9-173.7164.400112.4L1035 G1036 L1042 R1043L1035-E1039 HydrophobicContact CD1-CG 4.18Å; L1035-E1039 HydrophobicContact CG-CG 4.24Å; L1035-E1039 WeakPolarHBondContact O-CG 3.35Å; L1035-E1039 PolarHBondContact O-N 3.39Å; G1036-E1039 PolarHBondContact O-N 2.85Å; E1039-L1042 PolarHBondContact O-N 3.41Å; E1039-R1043 WeakPolarHBondContact O-CB 3.06Å; E1039-R1043 PolarHBondContact O-N 3.44Å
1040E86.9Confident81.9Confident145 Ų14573.2 Ų73.268%0.67837%0.372SS*.Hα-helixtrans-63.5-46.8174.3-173.2174.9-168.100111.5G1036 L1042 R1043 S1044G1036-E1040 PolarHBondContact O-N 3Å; G1036-E1040 VanDerWaalsContact O-N 3.08Å; E1040-L1042 VanDerWaalsContact C-N 3.3Å; E1040-L1042 PolarHBondContact O-N 2.89Å; E1040-R1043 PolarHBondContact O-N 3.5Å; E1040-S1044 PolarHBondContact O-N 3.34Å; E1040-S1044 PolarHBondContact O-OG 2.74Å
1041R86.5Confident83Confident110 Ų11066.9 Ų66.942%0.41535%0.353SS..Hα-helixtrans-60.1-37.6174.3-77.3175.962.1-150.7-8.7112.9I196 E199 S1037 V1038 S1044 T1045I196-R1041 HydrophobicContact CD1-CB 4.32Å; I196-R1041 HydrophobicContact CG2-CB 4.37Å; E199-R1041 IonicContact OE1-NH2 2.67Å; E199-R1041 PolarHBondContact OE1-NH2 3.09Å; E199-R1041 IonicContact OE2-CZ 2.77Å; E199-R1041 IonicContact OE2-NH1 2.84Å; E199-R1041 PolarHBondContact OE2-NH1 3.14Å; E199-R1041 IonicContact OE2-NH2 3.58Å; E199-R1041 PolarHBondContact OE2-NH2 2.65Å; S1037-R1041 WeakPolarHBondContact O-CB 3.4Å; S1037-R1041 VanDerWaalsContact O-CG 3.31Å; S1037-R1041 WeakPolarHBondContact O-CG 3.26Å; S1037-R1041 PolarHBondContact O-N 3.2Å; S1037-R1041 VanDerWaalsContact O-N 3.08Å; V1038-R1041 PolarHBondContact O-N 3.27Å; R1041-S1044 WeakPolarHBondContact CA-OG 3.35Å; R1041-S1044 PolarHBondContact O-OG 3.13Å; R1041-T1045 VanDerWaalsContact O-CB 3.29Å; R1041-T1045 WeakPolarHBondContact O-CB 3.3Å; R1041-T1045 PolarHBondContact O-N 3.49Å; R1041-T1045 PolarHBondContact O-OG1 2.71Å
1042L88.9Confident84.2Confident15 Ų1567.8 Ų67.88%0.07936%0.358CS..Hα-helixtrans-66.5-45.8177.3-178.761.7000110.6K193 I196 V197 V1038 E1039 E1040 T1045 E1046K193-L1042 HydrophobicContact CG-CD1 4.43Å; I196-L1042 HydrophobicContact CB-CD1 4.46Å; I196-L1042 HydrophobicContact CG2-CB 3.81Å; I196-L1042 HydrophobicContact CG2-CD1 4.17Å; V197-L1042 HydrophobicContact CG2-CD1 3.71Å; V1038-L1042 WeakPolarHBondContact O-CB 3.33Å; V1038-L1042 PolarHBondContact O-N 3.27Å; E1039-L1042 PolarHBondContact O-N 3.41Å; E1040-L1042 VanDerWaalsContact C-N 3.3Å; E1040-L1042 PolarHBondContact O-N 2.89Å; L1042-T1045 PolarHBondContact O-N 3.01Å; L1042-E1046 VanDerWaalsContact O-CB 3.24Å; L1042-E1046 WeakPolarHBondContact O-CB 3.32Å; L1042-E1046 PolarHBondContact O-N 3.33Å
1043R88.5Confident85.3Confident195 Ų19572.2 Ų72.274%0.73636%0.36SS*.Hα-helixtrans-63.3-43.7179.7-168.6-177.1-65.8-174.51.3111.7E1039 E1040 A1047E1039-R1043 WeakPolarHBondContact O-CB 3.06Å; E1039-R1043 PolarHBondContact O-N 3.44Å; E1040-R1043 PolarHBondContact O-N 3.5Å; R1043-A1047 PolarHBondContact O-N 3.31Å; R1043-A1047 VanDerWaalsContact O-N 3.12Å
1044S89.1Confident86.1Confident57 Ų5773.7 Ų73.740%0.39936%0.356SS..Hα-helixtrans-65.4-46177.362.90000112E1040 R1041 E1046 A1047 E1048E1040-S1044 PolarHBondContact O-N 3.34Å; E1040-S1044 PolarHBondContact O-OG 2.74Å; R1041-S1044 WeakPolarHBondContact CA-OG 3.35Å; R1041-S1044 PolarHBondContact O-OG 3.13Å; S1044-E1046 VanDerWaalsContact C-N 3.34Å; S1044-E1046 PolarHBondContact O-N 2.86Å; S1044-A1047 PolarHBondContact O-N 3.21Å; S1044-E1048 WeakPolarHBondContact O-CG 3.47Å; S1044-E1048 PolarHBondContact O-N 3.28Å
1045T87.7Confident87.2Confident2 Ų276.3 Ų76.31%0.01236%0.364CS..Hα-helixtrans-66.6-34.3179.2-55.40000112.3K192 K193 I196 R1041 L1042 F1049K192-T1045 HydrophobicContact CB-CG2 4.1Å; K192-T1045 HydrophobicContact CD-CG2 3.88Å; K192-T1045 HydrophobicContact CG-CG2 3.84Å; K193-T1045 HydrophobicContact CB-CG2 4.14Å; I196-T1045 HydrophobicContact CD1-CG2 4.11Å; I196-T1045 WeakPolarHBondContact CD1-OG1 3.19Å; R1041-T1045 VanDerWaalsContact O-CB 3.29Å; R1041-T1045 WeakPolarHBondContact O-CB 3.3Å; R1041-T1045 PolarHBondContact O-N 3.49Å; R1041-T1045 PolarHBondContact O-OG1 2.71Å; L1042-T1045 PolarHBondContact O-N 3.01Å; T1045-F1049 WeakPolarHBondContact O-CB 3.42Å; T1045-F1049 PolarHBondContact O-N 3.15Å
1046E87.8Confident87.9Confident84 Ų8475 Ų7539%0.39336%0.358SS..Hα-helixtrans-67.8-39.7175.5-176.5155.5-132.900112.2K193 L1042 S1044 F1049 E1050K193-E1046 IonicContact NZ-OE1 2.91Å; K193-E1046 PolarHBondContact NZ-OE1 3.03Å; L1042-E1046 VanDerWaalsContact O-CB 3.24Å; L1042-E1046 WeakPolarHBondContact O-CB 3.32Å; L1042-E1046 PolarHBondContact O-N 3.33Å; S1044-E1046 VanDerWaalsContact C-N 3.34Å; S1044-E1046 PolarHBondContact O-N 2.86Å; E1046-F1049 PolarHBondContact O-N 2.95Å; E1046-E1050 PolarHBondContact O-N 2.87Å
1047A89.6Confident88.4Confident64 Ų6481 Ų8153%0.52937%0.373SS..Hα-helixtrans-65.1-44.317300000112.1R1043 S1044 F1049 E1050 D1051R1043-A1047 PolarHBondContact O-N 3.31Å; R1043-A1047 VanDerWaalsContact O-N 3.12Å; S1044-A1047 PolarHBondContact O-N 3.21Å; A1047-F1049 VanDerWaalsContact C-N 3.34Å; A1047-F1049 PolarHBondContact O-N 3.15Å; A1047-E1050 PolarHBondContact O-N 3.16Å; A1047-D1051 PolarHBondContact O-N 3.35Å
1048E88.4Confident89Confident83 Ų8387.5 Ų87.539%0.38839%0.389SS..Hα-helixtrans-58.5-43.9174.4-74.9175.7177.400111.9K192 S1044 T1052K192-E1048 IonicContact NZ-OE2 2.79Å; K192-E1048 PolarHBondContact NZ-OE2 2.87Å; S1044-E1048 WeakPolarHBondContact O-CG 3.47Å; S1044-E1048 PolarHBondContact O-N 3.28Å; E1048-T1052 WeakPolarHBondContact O-CB 3.49Å; E1048-T1052 WeakPolarHBondContact O-CG2 3.41Å; E1048-T1052 PolarHBondContact O-N 3.34Å; E1048-T1052 PolarHBondContact O-OG1 2.91Å
1049F90.1Very high89.4Confident27 Ų2787.5 Ų87.512%0.11839%0.39CS..Hα-helixtrans-63.3-47.5178171.1-104.7000112.3N189 L190 T1045 E1046 A1047 D1051 T1052 R1053N189-F1049 HydrophobicContact CB-CB 4.09Å; N189-F1049 HydrophobicContact CB-CD2 4.19Å; L190-F1049 HydrophobicContact CB-CD2 4.12Å; L190-F1049 HydrophobicContact CB-CE2 3.8Å; L190-F1049 HydrophobicContact CD1-CE2 4.09Å; L190-F1049 HydrophobicContact CD1-CZ 4.13Å; L190-F1049 HydrophobicContact CG-CE2 4.43Å; T1045-F1049 WeakPolarHBondContact O-CB 3.42Å; T1045-F1049 PolarHBondContact O-N 3.15Å; E1046-F1049 PolarHBondContact O-N 2.95Å; A1047-F1049 VanDerWaalsContact C-N 3.34Å; A1047-F1049 PolarHBondContact O-N 3.15Å; F1049-D1051 PolarHBondContact O-N 3.32Å; F1049-T1052 WeakPolarHBondContact CA-OG1 3.38Å; F1049-T1052 PolarHBondContact O-OG1 3.48Å; F1049-T1052 VanDerWaalsContact O-OG1 3.06Å; F1049-R1053 WeakPolarHBondContact O-CB 3.09Å; F1049-R1053 PolarHBondContact O-N 2.95Å
1050E89Confident89.8Confident68 Ų6887.5 Ų87.532%0.31839%0.388SS..Hα-helixtrans-65.7-38179.3-81.7-65.2143.200112.4E1046 A1047 R1053 R1054E1046-E1050 PolarHBondContact O-N 2.87Å; A1047-E1050 PolarHBondContact O-N 3.16Å; E1050-R1053 IonicContact OE1-NH1 3.78Å; E1050-R1053 PolarHBondContact OE1-NH1 3.3Å; E1050-R1054 VanDerWaalsContact O-CG 3.28Å; E1050-R1054 WeakPolarHBondContact O-CG 3.13Å; E1050-R1054 PolarHBondContact O-N 2.98Å
1051D91Very high90.1Very high64 Ų6483.7 Ų83.734%0.34238%0.381SS..Hα-helixtrans-65.7-50.2174.9-177.551.2000112A1047 F1049 R1053 R1054 R1055A1047-D1051 PolarHBondContact O-N 3.35Å; F1049-D1051 PolarHBondContact O-N 3.32Å; D1051-R1053 VanDerWaalsContact C-N 3.31Å; D1051-R1053 PolarHBondContact O-N 2.72Å; D1051-R1054 PolarHBondContact O-N 3.43Å; D1051-R1054 VanDerWaalsContact O-N 3.11Å; D1051-R1055 WeakPolarHBondContact O-CG 3.42Å; D1051-R1055 PolarHBondContact O-N 2.86Å; D1051-R1055 IonicContact OD1-NE 3.6Å; D1051-R1055 PolarHBondContact OD1-NE 2.81Å; D1051-R1055 IonicContact OD1-NH2 3.17Å; D1051-R1055 IonicContact OD2-CZ 2.73Å; D1051-R1055 IonicContact OD2-NE 3.77Å; D1051-R1055 PolarHBondContact OD2-NE 3.43Å; D1051-R1055 IonicContact OD2-NH2 2.59Å; D1051-R1055 PolarHBondContact OD2-NH2 3.34Å
1052T89.7Confident90.3Very high19 Ų1983.8 Ų83.812%0.11738%0.382CS..Hα-helixtrans-60.4-39.7178470000112.4N185 N189 E1048 F1049 R1054 R1055 A1056N185-T1052 HydrophobicContact CB-CG2 4.45Å; N189-T1052 VanDerWaalsContact ND2-CG2 3.35Å; N189-T1052 WeakPolarHBondContact ND2-CG2 3.16Å; N189-T1052 PolarHBondContact ND2-OG1 3.45Å; N189-T1052 VanDerWaalsContact ND2-OG1 3.09Å; E1048-T1052 WeakPolarHBondContact O-CB 3.49Å; E1048-T1052 WeakPolarHBondContact O-CG2 3.41Å; E1048-T1052 PolarHBondContact O-N 3.34Å; E1048-T1052 PolarHBondContact O-OG1 2.91Å; F1049-T1052 WeakPolarHBondContact CA-OG1 3.38Å; F1049-T1052 PolarHBondContact O-OG1 3.48Å; F1049-T1052 VanDerWaalsContact O-OG1 3.06Å; T1052-R1054 PolarHBondContact O-N 3.26Å; T1052-R1055 PolarHBondContact O-N 3.5Å; T1052-A1056 WeakPolarHBondContact O-CB 3.45Å; T1052-A1056 PolarHBondContact O-N 3.02Å
1053R89.4Confident90.6Very high142 Ų14283.7 Ų83.754%0.53638%0.381SS..Hα-helixtrans-61.4-42.3173.5-176.7-176.9178.3-161.41.1112.7F1049 E1050 D1051 K1057F1049-R1053 WeakPolarHBondContact O-CB 3.09Å; F1049-R1053 PolarHBondContact O-N 2.95Å; E1050-R1053 IonicContact OE1-NH1 3.78Å; E1050-R1053 PolarHBondContact OE1-NH1 3.3Å; D1051-R1053 VanDerWaalsContact C-N 3.31Å; D1051-R1053 PolarHBondContact O-N 2.72Å; R1053-K1057 PolarHBondContact O-N 3.06Å; R1053-K1057 VanDerWaalsContact O-N 3.11Å
1054R91.5Very high90.8Very high161 Ų16177.6 Ų77.661%0.60836%0.36SS*.Hα-helixtrans-66-43176.6-74.4173-172.1-168.81.8111.6E1050 D1051 T1052 K1057 R1058E1050-R1054 VanDerWaalsContact O-CG 3.28Å; E1050-R1054 WeakPolarHBondContact O-CG 3.13Å; E1050-R1054 PolarHBondContact O-N 2.98Å; D1051-R1054 PolarHBondContact O-N 3.43Å; D1051-R1054 VanDerWaalsContact O-N 3.11Å; T1052-R1054 PolarHBondContact O-N 3.26Å; R1054-K1057 PolarHBondContact O-N 2.98Å; R1054-R1058 WeakPolarHBondContact O-CG 3.28Å; R1054-R1058 PolarHBondContact O-N 3.34Å; R1054-R1058 VanDerWaalsContact O-N 3.1Å
1055R92.2Very high91.1Very high134 Ų13483.4 Ų83.451%0.50637%0.373SS..Hα-helixtrans-63.1-46.6176.4-67.6-177.5-166.3-162.68.2111.6L182 D1051 T1052 K1057 R1058 A1059L182-R1055 HydrophobicContact CD1-CB 4.02Å; L182-R1055 HydrophobicContact CD2-CB 3.98Å; D1051-R1055 WeakPolarHBondContact O-CG 3.42Å; D1051-R1055 PolarHBondContact O-N 2.86Å; D1051-R1055 IonicContact OD1-NE 3.6Å; D1051-R1055 PolarHBondContact OD1-NE 2.81Å; D1051-R1055 IonicContact OD1-NH2 3.17Å; D1051-R1055 IonicContact OD2-CZ 2.73Å; D1051-R1055 IonicContact OD2-NE 3.77Å; D1051-R1055 PolarHBondContact OD2-NE 3.43Å; D1051-R1055 IonicContact OD2-NH2 2.59Å; D1051-R1055 PolarHBondContact OD2-NH2 3.34Å; T1052-R1055 PolarHBondContact O-N 3.5Å; R1055-K1057 VanDerWaalsContact C-N 3.3Å; R1055-K1057 PolarHBondContact O-N 3.43Å; R1055-R1058 PolarHBondContact O-N 3.4Å; R1055-R1058 VanDerWaalsContact O-N 3.1Å; R1055-A1059 PolarHBondContact O-N 2.79Å
1056A91.5Very high91.3Very high9 Ų983.5 Ų83.57%0.07437%0.374CS..Hα-helixtrans-56.5-43.5175.900000111.8L182 E183 T1052 R1058 A1059 K1060L182-A1056 HydrophobicContact CB-CB 3.93Å; E183-A1056 HydrophobicContact CG-CB 4.31Å; T1052-A1056 WeakPolarHBondContact O-CB 3.45Å; T1052-A1056 PolarHBondContact O-N 3.02Å; A1056-R1058 PolarHBondContact O-N 3.49Å; A1056-A1059 PolarHBondContact O-N 3.27Å; A1056-K1060 WeakPolarHBondContact O-CB 3.13Å; A1056-K1060 PolarHBondContact O-N 3.28Å
1057K90.7Very high91.6Very high166 Ų16682.1 Ų82.172%0.72237%0.365SS*.Hα-helixtrans-62.7-40.1176.2-170.7178.6179.9-177.10112.8R1053 R1054 R1055 A1061R1053-K1057 PolarHBondContact O-N 3.06Å; R1053-K1057 VanDerWaalsContact O-N 3.11Å; R1054-K1057 PolarHBondContact O-N 2.98Å; R1055-K1057 VanDerWaalsContact C-N 3.3Å; R1055-K1057 PolarHBondContact O-N 3.43Å; K1057-A1061 PolarHBondContact O-N 2.71Å; K1057-A1061 VanDerWaalsContact O-N 3.11Å
1058R92.5Very high91.8Very high193 Ų19386.6 Ų86.673%0.72837%0.369SS*.Hα-helixtrans-68.3-45.5176.9-72178.6-178.1175.40.4111.7R1054 R1055 A1056 K1060 A1061 R1062R1054-R1058 WeakPolarHBondContact O-CG 3.28Å; R1054-R1058 PolarHBondContact O-N 3.34Å; R1054-R1058 VanDerWaalsContact O-N 3.1Å; R1055-R1058 PolarHBondContact O-N 3.4Å; R1055-R1058 VanDerWaalsContact O-N 3.1Å; A1056-R1058 PolarHBondContact O-N 3.49Å; R1058-K1060 VanDerWaalsContact C-N 3.33Å; R1058-K1060 PolarHBondContact O-N 3.11Å; R1058-A1061 PolarHBondContact O-N 3.44Å; R1058-R1062 PolarHBondContact O-N 3.03Å
1059A92.5Very high92Very high5 Ų586.8 Ų86.84%0.04137%0.371CS..Hα-helixtrans-60.6-42.7177.100000111.5E178 M179 L182 R1055 A1056 A1061 R1062 F1063E178-A1059 HydrophobicContact CG-CB 4.3Å; M179-A1059 HydrophobicContact CB-CB 4.25Å; L182-A1059 HydrophobicContact CD1-CB 3.65Å; R1055-A1059 PolarHBondContact O-N 2.79Å; A1056-A1059 PolarHBondContact O-N 3.27Å; A1059-A1061 PolarHBondContact O-N 3.39Å; A1059-R1062 WeakPolarHBondContact O-CB 3.16Å; A1059-R1062 PolarHBondContact O-N 3.23Å; A1059-F1063 WeakPolarHBondContact O-CB 3.38Å; A1059-F1063 PolarHBondContact O-N 3.43Å
1060K92.5Very high92.2Very high95 Ų9585.6 Ų85.641%0.41337%0.366SS..Hα-helixtrans-59.8-45.6173.5-174.6165.1-168.5153.70112.9M179 E183 A1056 R1058 R1062 F1063 E1064M179-K1060 HydrophobicContact CG-CB 4.07Å; M179-K1060 HydrophobicContact SD-CB 4.03Å; M179-K1060 HydrophobicContact SD-CG 3.95Å; E183-K1060 IonicContact OE1-NZ 3.71Å; A1056-K1060 WeakPolarHBondContact O-CB 3.13Å; A1056-K1060 PolarHBondContact O-N 3.28Å; R1058-K1060 VanDerWaalsContact C-N 3.33Å; R1058-K1060 PolarHBondContact O-N 3.11Å; K1060-R1062 VanDerWaalsContact C-N 3.31Å; K1060-R1062 PolarHBondContact O-N 3.42Å; K1060-F1063 PolarHBondContact O-N 3.07Å; K1060-E1064 WeakPolarHBondContact O-CG 3.16Å; K1060-E1064 PolarHBondContact O-N 3.27Å
1061A92.5Very high92.5Very high64 Ų6486 Ų8653%0.52937%0.365SS..Hα-helixtrans-63.7-36.6177.100000112.6K1057 R1058 A1059 R1065K1057-A1061 PolarHBondContact O-N 2.71Å; K1057-A1061 VanDerWaalsContact O-N 3.11Å; R1058-A1061 PolarHBondContact O-N 3.44Å; A1059-A1061 PolarHBondContact O-N 3.39Å; A1061-R1065 PolarHBondContact O-N 3.4Å
1062R92.3Very high92.5Very high113 Ų11386.2 Ų86.243%0.42637%0.367SS..Hα-helixtrans-65.1-49.3173.9-175.9-176.2-179-1720.6111.3E171 E178 R1058 A1059 K1060 E1064 R1065 V1066E171-R1062 IonicContact OE1-CZ 2.68Å; E171-R1062 IonicContact OE1-NE 2.61Å; E171-R1062 PolarHBondContact OE1-NE 3.41Å; E171-R1062 IonicContact OE1-NH2 3.32Å; E171-R1062 PolarHBondContact OE1-NH2 3.44Å; E178-R1062 IonicContact OE2-NH1 3.11Å; R1058-R1062 PolarHBondContact O-N 3.03Å; A1059-R1062 WeakPolarHBondContact O-CB 3.16Å; A1059-R1062 PolarHBondContact O-N 3.23Å; K1060-R1062 VanDerWaalsContact C-N 3.31Å; K1060-R1062 PolarHBondContact O-N 3.42Å; R1062-E1064 PolarHBondContact O-N 3.3Å; R1062-R1065 WeakPolarHBondContact O-CB 3.32Å; R1062-R1065 PolarHBondContact O-N 3.45Å; R1062-R1065 VanDerWaalsContact O-N 3.17Å; R1062-V1066 WeakPolarHBondContact O-CG2 3.36Å; R1062-V1066 PolarHBondContact O-N 3.32Å
1063F94.9Very high92.6Very high13 Ų1386.6 Ų86.66%0.05737%0.372CS..Hα-helixtrans-56.5-48.9177.7170.2-106.2000111.9Y172 K176 M179 A1059 K1060 R1065 V1066 R1067Y172-F1063 AromaticContact CD2-CE2 3.93Å; Y172-F1063 HydrophobicContact CD2-CE2 3.93Å; Y172-F1063 HydrophobicContact CE1-CE2 4.33Å; Y172-F1063 AromaticContact CE2-CE2 3.52Å; Y172-F1063 HydrophobicContact CE2-CE2 3.52Å; Y172-F1063 AromaticContact CE2-CZ 3.9Å; Y172-F1063 HydrophobicContact CE2-CZ 3.9Å; Y172-F1063 HydrophobicContact CG-CE2 4.5Å; Y172-F1063 AromaticContact CZ-CE2 3.73Å; K176-F1063 HydrophobicContact CB-CD2 3.81Å; K176-F1063 HydrophobicContact CB-CE2 3.64Å; K176-F1063 HydrophobicContact CD-CE2 4.08Å; K176-F1063 HydrophobicContact CD-CZ 4.37Å; K176-F1063 HydrophobicContact CG-CD2 4.4Å; K176-F1063 HydrophobicContact CG-CE2 3.89Å; K176-F1063 HydrophobicContact CG-CZ 4.31Å; M179-F1063 HydrophobicContact CE-CD1 4.16Å; M179-F1063 HydrophobicContact CE-CE1 4.39Å; M179-F1063 HydrophobicContact SD-CB 4.22Å; M179-F1063 HydrophobicContact SD-CD1 3.75Å; M179-F1063 HydrophobicContact SD-CE1 4.5Å; M179-F1063 HydrophobicContact SD-CG 4.16Å; A1059-F1063 WeakPolarHBondContact O-CB 3.38Å; A1059-F1063 PolarHBondContact O-N 3.43Å; K1060-F1063 PolarHBondContact O-N 3.07Å; F1063-R1065 VanDerWaalsContact C-N 3.27Å; F1063-R1065 PolarHBondContact O-N 3.03Å; F1063-V1066 PolarHBondContact O-N 3.27Å; F1063-R1067 VanDerWaalsContact O-CB 3.31Å; F1063-R1067 WeakPolarHBondContact O-CB 3.05Å; F1063-R1067 PolarHBondContact O-N 2.93Å
1064E92.7Very high92.8Very high66 Ų6679.9 Ų79.931%0.30835%0.346SS..Hα-helixtrans-61.1-34.4178.1-72-62155.700112.9K1060 R1062 R1068K1060-E1064 WeakPolarHBondContact O-CG 3.16Å; K1060-E1064 PolarHBondContact O-N 3.27Å; R1062-E1064 PolarHBondContact O-N 3.3Å; E1064-R1068 WeakPolarHBondContact O-CB 3.38Å; E1064-R1068 PolarHBondContact O-N 3.13Å
1065R94Very high92.8Very high179 Ų17973.4 Ų73.468%0.67532%0.323SS*.Hα-helixtrans-65.3-49.1174.5-177.8-176.4176.9-170.5-1.5111.3A1061 R1062 F1063 R1068 L1069A1061-R1065 PolarHBondContact O-N 3.4Å; R1062-R1065 WeakPolarHBondContact O-CB 3.32Å; R1062-R1065 PolarHBondContact O-N 3.45Å; R1062-R1065 VanDerWaalsContact O-N 3.17Å; F1063-R1065 VanDerWaalsContact C-N 3.27Å; F1063-R1065 PolarHBondContact O-N 3.03Å; R1065-R1068 PolarHBondContact O-N 2.82Å; R1065-L1069 HydrophobicContact CG-CD1 4.34Å; R1065-L1069 WeakPolarHBondContact O-CG 3.48Å; R1065-L1069 PolarHBondContact O-N 3.34Å
1066V93.1Very high92.8Very high4 Ų472 Ų722%0.02433%0.326CS..Hα-helixtrans-66-43-179.31790000110.6E171 R1062 F1063 R1068 L1069 R1070E171-V1066 HydrophobicContact CB-CG1 4.21Å; E171-V1066 HydrophobicContact CG-CG1 4.3Å; E171-V1066 HydrophobicContact CG-CG2 3.9Å; R1062-V1066 WeakPolarHBondContact O-CG2 3.36Å; R1062-V1066 PolarHBondContact O-N 3.32Å; F1063-V1066 PolarHBondContact O-N 3.27Å; V1066-R1068 VanDerWaalsContact C-N 3.34Å; V1066-R1068 PolarHBondContact O-N 2.94Å; V1066-L1069 PolarHBondContact O-N 3.26Å; V1066-R1070 WeakPolarHBondContact O-CB 3.45Å; V1066-R1070 PolarHBondContact O-N 3.38Å
1067R93.8Very high92.8Very high55 Ų5571.5 Ų71.521%0.20832%0.322CS..Hα-helixtrans-53.1-49.5173-177-178.8-179.6-156.1-2.8111.4Y172 F1063 R1070 Y1071 E1108 E1109 Y1111Y172-R1067 HydrophobicContact CD2-CB 4.36Å; Y172-R1067 HydrophobicContact CE2-CB 4.14Å; Y172-R1067 HydrophobicContact CE2-CG 4.14Å; F1063-R1067 VanDerWaalsContact O-CB 3.31Å; F1063-R1067 WeakPolarHBondContact O-CB 3.05Å; F1063-R1067 PolarHBondContact O-N 2.93Å; R1067-R1070 PolarHBondContact O-N 3.26Å; R1067-Y1071 VanDerWaalsContact O-CB 3.28Å; R1067-Y1071 WeakPolarHBondContact O-CB 3.19Å; R1067-Y1071 PolarHBondContact O-N 3.07Å; R1067-E1108 IonicContact NH2-OE2 2.91Å; R1067-E1108 PolarHBondContact NH2-OE2 3.42Å; R1067-E1109 IonicContact CZ-OE1 3.34Å; R1067-E1109 IonicContact NE-OE1 3.82Å; R1067-E1109 PolarHBondContact NE-OE1 3.02Å; R1067-E1109 VanDerWaalsContact NE-OE1 3.13Å; R1067-Y1111 WeakPolarHBondContact CG-OH 3.24Å
1068R93.5Very high92.9Very high159 Ų15964 Ų6460%0.629%0.289SS*.Hα-helixtrans-64.4-42.1179.2-170.9-179-61.4156.13113E1064 R1065 V1066 N1072E1064-R1068 WeakPolarHBondContact O-CB 3.38Å; E1064-R1068 PolarHBondContact O-N 3.13Å; R1065-R1068 PolarHBondContact O-N 2.82Å; V1066-R1068 VanDerWaalsContact C-N 3.34Å; V1066-R1068 PolarHBondContact O-N 2.94Å; R1068-N1072 WeakPolarHBondContact O-CB 3.4Å; R1068-N1072 PolarHBondContact O-N 3.02Å
1069L93.1Very high92.9Very high86 Ų8658.1 Ų58.145%0.4527%0.273SS..Hα-helixtrans-62.7-45.5177.2-71.5171.8000111.2L168 R1065 V1066 N1072 A1073L168-L1069 HydrophobicContact CD1-CB 3.85Å; R1065-L1069 HydrophobicContact CG-CD1 4.34Å; R1065-L1069 WeakPolarHBondContact O-CG 3.48Å; R1065-L1069 PolarHBondContact O-N 3.34Å; V1066-L1069 PolarHBondContact O-N 3.26Å; L1069-N1072 PolarHBondContact O-N 3.44Å; L1069-A1073 WeakPolarHBondContact O-CB 3.26Å; L1069-A1073 PolarHBondContact O-N 2.86Å
1070R94.4Very high92.8Very high3 Ų359.7 Ų59.71%0.01128%0.283CS..Hα-helixtrans-64-44.6178-170178.1177.2-162.4-5.4111.8E160 L168 V1066 R1067 F1074 Y1111E160-R1070 IonicContact OE1-CZ 3.4Å; E160-R1070 IonicContact OE1-NE 2.66Å; E160-R1070 PolarHBondContact OE1-NE 3.04Å; E160-R1070 IonicContact OE1-NH2 2.81Å; E160-R1070 PolarHBondContact OE1-NH2 3.35Å; E160-R1070 IonicContact OE2-NH2 3.91Å; L168-R1070 HydrophobicContact CB-CB 4.09Å; L168-R1070 HydrophobicContact CB-CG 4.25Å; L168-R1070 HydrophobicContact CD1-CB 4.05Å; V1066-R1070 WeakPolarHBondContact O-CB 3.45Å; V1066-R1070 PolarHBondContact O-N 3.38Å; R1067-R1070 PolarHBondContact O-N 3.26Å; R1070-F1074 WeakPolarHBondContact O-CB 3.46Å; R1070-F1074 PolarHBondContact O-N 3.24Å; R1070-F1074 VanDerWaalsContact O-N 3.08Å; R1070-Y1111 HydrophobicContact CB-CE1 4.39Å; R1070-Y1111 HydrophobicContact CG-CD1 4.02Å; R1070-Y1111 HydrophobicContact CG-CD2 4.46Å; R1070-Y1111 HydrophobicContact CG-CE1 4.13Å; R1070-Y1111 HydrophobicContact CG-CG 4.2Å
1071Y93.9Very high92.8Very high75 Ų7555.1 Ų55.129%0.29426%0.263SS..Hα-helixtrans-59.2-51.9175.5176.4-92.2000112.1R1067 A1073 F1074 M1075 A1107 E1108 P1110R1067-Y1071 VanDerWaalsContact O-CB 3.28Å; R1067-Y1071 WeakPolarHBondContact O-CB 3.19Å; R1067-Y1071 PolarHBondContact O-N 3.07Å; Y1071-A1073 PolarHBondContact O-N 3.36Å; Y1071-F1074 PolarHBondContact O-N 2.84Å; Y1071-M1075 HydrophobicContact CD1-CG 4.41Å; Y1071-M1075 HydrophobicContact CD2-CG 4.13Å; Y1071-M1075 HydrophobicContact CE1-CB 4.34Å; Y1071-M1075 HydrophobicContact CE1-CG 3.97Å; Y1071-M1075 HydrophobicContact CE2-CG 3.64Å; Y1071-M1075 HydrophobicContact CG-CG 4.48Å; Y1071-M1075 WeakPolarHBondContact O-CB 3.25Å; Y1071-M1075 PolarHBondContact O-N 2.89Å; Y1071-A1107 WeakPolarHBondContact CE2-O 3.42Å; Y1071-E1108 VanDerWaalsContact CD2-O 3.31Å; Y1071-E1108 WeakPolarHBondContact CD2-O 3.33Å; Y1071-P1110 HydrophobicContact CD2-CG 4.36Å; Y1071-P1110 HydrophobicContact CE2-CG 4.35Å
1072N92.9Very high92.8Very high70 Ų7053.2 Ų53.237%0.37425%0.248SC..Hα-helixtrans-62.1-43.8-178.4-72.8-8.7000111.5R1068 L1069 F1074 N1076R1068-N1072 WeakPolarHBondContact O-CB 3.4Å; R1068-N1072 PolarHBondContact O-N 3.02Å; L1069-N1072 PolarHBondContact O-N 3.44Å; N1072-F1074 VanDerWaalsContact C-N 3.35Å; N1072-F1074 PolarHBondContact O-N 3.28Å; N1072-N1076 VanDerWaalsContact O-CB 3.23Å; N1072-N1076 WeakPolarHBondContact O-CB 3.23Å; N1072-N1076 PolarHBondContact O-N 3.09Å; N1072-N1076 PolarHBondContact O-ND2 3.14Å; N1072-N1076 PolarHBondContact O-OD1 2.82Å
1073A90.4Very high92.8Very high27 Ų2753.5 Ų53.522%0.22326%0.258CS..Hα-helixtrans-58.6-47.6177.100000111.4S163 L1069 Y1071 C1077S163-A1073 WeakPolarHBondContact CB-O 3.46Å; L1069-A1073 WeakPolarHBondContact O-CB 3.26Å; L1069-A1073 PolarHBondContact O-N 2.86Å; Y1071-A1073 PolarHBondContact O-N 3.36Å; A1073-C1077 PolarHBondContact O-N 3.27Å
1074F93.7Very high92.7Very high0 Ų054 Ų540%026%0.261CS..Hα-helixtrans-65.8-51179.7-172.9-82.7000112.5F159 E160 R1070 Y1071 N1072 N1076 C1077 F1078 P1110 Y1111 I1115F159-F1074 HydrophobicContact CB-CE2 3.93Å; F159-F1074 HydrophobicContact CB-CZ 4.22Å; E160-F1074 HydrophobicContact CG-CD2 3.93Å; E160-F1074 HydrophobicContact CG-CE2 3.82Å; R1070-F1074 WeakPolarHBondContact O-CB 3.46Å; R1070-F1074 PolarHBondContact O-N 3.24Å; R1070-F1074 VanDerWaalsContact O-N 3.08Å; Y1071-F1074 PolarHBondContact O-N 2.84Å; N1072-F1074 VanDerWaalsContact C-N 3.35Å; N1072-F1074 PolarHBondContact O-N 3.28Å; F1074-N1076 PolarHBondContact O-N 3.46Å; F1074-C1077 WeakPolarHBondContact O-CB 3.46Å; F1074-C1077 PolarHBondContact O-N 3.2Å; F1074-F1078 HydrophobicContact CD1-CB 4.27Å; F1074-F1078 HydrophobicContact CE1-CB 4.18Å; F1074-F1078 HydrophobicContact CE1-CG 4.48Å; F1074-F1078 WeakPolarHBondContact O-CB 2.85Å; F1074-F1078 PolarHBondContact O-N 3.2Å; F1074-P1110 HydrophobicContact CD1-CB 3.95Å; F1074-P1110 HydrophobicContact CD1-CG 3.54Å; F1074-P1110 HydrophobicContact CE1-CB 3.55Å; F1074-P1110 HydrophobicContact CE1-CG 3.72Å; F1074-P1110 HydrophobicContact CG-CG 4.42Å; F1074-P1110 HydrophobicContact CZ-CB 4.28Å; F1074-Y1111 HydrophobicContact CB-CD1 4.36Å; F1074-I1115 HydrophobicContact CE1-CD1 4.46Å; F1074-I1115 HydrophobicContact CZ-CD1 3.78Å; F1074-I1115 HydrophobicContact CZ-CG1 4.3Å
1075M92.6Very high92.7Very high25 Ų2550.9 Ų50.912%0.12325%0.246CC..Hα-helixtrans-68.6-34.2-175.1-79.6-59.4-67.200113.2Y1071 C1077 F1078 N1079 P1110Y1071-M1075 HydrophobicContact CD1-CG 4.41Å; Y1071-M1075 HydrophobicContact CD2-CG 4.13Å; Y1071-M1075 HydrophobicContact CE1-CB 4.34Å; Y1071-M1075 HydrophobicContact CE1-CG 3.97Å; Y1071-M1075 HydrophobicContact CE2-CG 3.64Å; Y1071-M1075 HydrophobicContact CG-CG 4.48Å; Y1071-M1075 WeakPolarHBondContact O-CB 3.25Å; Y1071-M1075 PolarHBondContact O-N 2.89Å; M1075-C1077 VanDerWaalsContact C-N 3.31Å; M1075-C1077 PolarHBondContact O-N 2.62Å; M1075-F1078 HydrophobicContact CE-CD1 4.26Å; M1075-F1078 PolarHBondContact O-N 2.78Å; M1075-F1078 HydrophobicContact SD-CB 4.45Å; M1075-F1078 HydrophobicContact SD-CD1 4.16Å; M1075-N1079 VanDerWaalsContact CE-OD1 3.25Å; M1075-N1079 WeakPolarHBondContact CE-OD1 3.31Å; M1075-N1079 VanDerWaalsContact O-CB 3.3Å; M1075-N1079 WeakPolarHBondContact O-CB 3.13Å; M1075-N1079 VanDerWaalsContact O-CG 3.23Å; M1075-N1079 PolarHBondContact O-N 3Å; M1075-N1079 PolarHBondContact O-ND2 2.64Å; M1075-P1110 HydrophobicContact CG-CG 4.08Å; M1075-P1110 HydrophobicContact SD-CB 4.45Å; M1075-P1110 HydrophobicContact SD-CG 3.83Å
1076N91Very high92.6Very high104 Ų10444.3 Ų44.356%0.55622%0.224SC*.Hα-helixtrans-61.4-42.1173.8-71.7-10.8000111.4N1072 F1074 S1080N1072-N1076 VanDerWaalsContact O-CB 3.23Å; N1072-N1076 WeakPolarHBondContact O-CB 3.23Å; N1072-N1076 PolarHBondContact O-N 3.09Å; N1072-N1076 PolarHBondContact O-ND2 3.14Å; N1072-N1076 PolarHBondContact O-OD1 2.82Å; F1074-N1076 PolarHBondContact O-N 3.46Å; N1076-S1080 WeakPolarHBondContact O-CB 3.44Å; N1076-S1080 PolarHBondContact O-N 3.2Å
1077C91.2Very high92.6Very high0 Ų046.9 Ų46.90%024%0.241CC..Hα-helixtrans-66.5-49.9174.1179.70000111.6A1073 F1074 M1075 S1080 I1081 Y1151A1073-C1077 PolarHBondContact O-N 3.27Å; F1074-C1077 WeakPolarHBondContact O-CB 3.46Å; F1074-C1077 PolarHBondContact O-N 3.2Å; M1075-C1077 VanDerWaalsContact C-N 3.31Å; M1075-C1077 PolarHBondContact O-N 2.62Å; C1077-S1080 PolarHBondContact O-N 2.77Å; C1077-I1081 WeakPolarHBondContact O-CG1 3.39Å; C1077-I1081 PolarHBondContact O-N 2.67Å; C1077-I1081 VanDerWaalsContact SG-CD1 3.54Å; C1077-Y1151 VanDerWaalsContact CA-CE2 3.49Å; C1077-Y1151 HydrophobicContact CB-CD1 4.38Å; C1077-Y1151 HydrophobicContact CB-CE1 3.79Å; C1077-Y1151 HydrophobicContact CB-CE2 4.02Å; C1077-Y1151 VanDerWaalsContact SG-CE1 3.55Å
1078F92.9Very high92.5Very high7 Ų744.7 Ų44.73%0.03123%0.233CC..Hα-helixtrans-58.7-52.4-178.1178.2-95.2000112.4F159 F1074 M1075 S1080 I1081 A1082 L1102 P1104 I1115F159-F1078 HydrophobicContact CD1-CB 4.37Å; F159-F1078 HydrophobicContact CD1-CD2 4.07Å; F159-F1078 AromaticContact CE1-CD2 3.88Å; F159-F1078 HydrophobicContact CE1-CD2 3.88Å; F1074-F1078 HydrophobicContact CD1-CB 4.27Å; F1074-F1078 HydrophobicContact CE1-CB 4.18Å; F1074-F1078 HydrophobicContact CE1-CG 4.48Å; F1074-F1078 WeakPolarHBondContact O-CB 2.85Å; F1074-F1078 PolarHBondContact O-N 3.2Å; M1075-F1078 HydrophobicContact CE-CD1 4.26Å; M1075-F1078 PolarHBondContact O-N 2.78Å; M1075-F1078 HydrophobicContact SD-CB 4.45Å; M1075-F1078 HydrophobicContact SD-CD1 4.16Å; F1078-S1080 VanDerWaalsContact C-N 3.34Å; F1078-S1080 PolarHBondContact O-N 2.94Å; F1078-I1081 PolarHBondContact O-N 3.41Å; F1078-A1082 HydrophobicContact CE1-CB 4.24Å; F1078-A1082 HydrophobicContact CZ-CB 4.37Å; F1078-A1082 VanDerWaalsContact O-CB 3.27Å; F1078-A1082 WeakPolarHBondContact O-CB 3.35Å; F1078-A1082 PolarHBondContact O-N 3.17Å; F1078-L1102 HydrophobicContact CE2-CB 3.95Å; F1078-L1102 HydrophobicContact CZ-CB 4.03Å; F1078-P1104 HydrophobicContact CE1-CG 3.9Å; F1078-P1104 HydrophobicContact CZ-CB 4.36Å; F1078-P1104 VanDerWaalsContact CZ-CD 3.47Å; F1078-P1104 HydrophobicContact CZ-CG 3.99Å; F1078-I1115 HydrophobicContact CD2-CD1 4.09Å; F1078-I1115 HydrophobicContact CE2-CD1 4.3Å; F1078-I1115 HydrophobicContact CE2-CG1 4.46Å; F1078-I1115 HydrophobicContact CE2-CG2 3.84Å
1079N92.4Very high92.4Very high71 Ų7137.2 Ų37.238%0.3821%0.205SC..Hα-helixtrans-60.5-45.3-179.7-69.9-12.8000110.9M1075 I1081 A1082 D1083M1075-N1079 VanDerWaalsContact CE-OD1 3.25Å; M1075-N1079 WeakPolarHBondContact CE-OD1 3.31Å; M1075-N1079 VanDerWaalsContact O-CB 3.3Å; M1075-N1079 WeakPolarHBondContact O-CB 3.13Å; M1075-N1079 VanDerWaalsContact O-CG 3.23Å; M1075-N1079 PolarHBondContact O-N 3Å; M1075-N1079 PolarHBondContact O-ND2 2.64Å; N1079-I1081 VanDerWaalsContact C-N 3.33Å; N1079-I1081 PolarHBondContact O-N 2.85Å; N1079-A1082 PolarHBondContact O-N 3.38Å; N1079-D1083 WeakPolarHBondContact O-CB 3.38Å; N1079-D1083 PolarHBondContact O-N 2.9Å
1080S91.8Very high92.3Very high37 Ų3736.2 Ų36.226%0.25920%0.197SC..Hα-helixtrans-59.6-42.6177.6-175.20000112.3N1076 C1077 F1078 N1084N1076-S1080 WeakPolarHBondContact O-CB 3.44Å; N1076-S1080 PolarHBondContact O-N 3.2Å; C1077-S1080 PolarHBondContact O-N 2.77Å; F1078-S1080 VanDerWaalsContact C-N 3.34Å; F1078-S1080 PolarHBondContact O-N 2.94Å; S1080-N1084 WeakPolarHBondContact O-CB 3.3Å; S1080-N1084 PolarHBondContact O-N 2.85Å; S1080-N1084 PolarHBondContact O-ND2 2.83Å
1081I92.8Very high92.1Very high0 Ų038.8 Ų38.80%022%0.216CC..Hα-helixtrans-70.9-42.1177.8-65.7166.5000110.9F159 C1077 F1078 N1079 D1083 N1084 I1085 L1102 L1144 A1147 M1148F159-I1081 HydrophobicContact CD1-CD1 3.92Å; F159-I1081 HydrophobicContact CE1-CB 3.88Å; F159-I1081 HydrophobicContact CE1-CD1 3.49Å; F159-I1081 VanDerWaalsContact CE1-CD1 3.49Å; F159-I1081 HydrophobicContact CE1-CG1 4.28Å; F159-I1081 HydrophobicContact CE1-CG2 3.9Å; F159-I1081 HydrophobicContact CZ-CB 4.29Å; F159-I1081 HydrophobicContact CZ-CD1 4.07Å; F159-I1081 HydrophobicContact CZ-CG2 3.77Å; C1077-I1081 WeakPolarHBondContact O-CG1 3.39Å; C1077-I1081 PolarHBondContact O-N 2.67Å; C1077-I1081 VanDerWaalsContact SG-CD1 3.54Å; F1078-I1081 PolarHBondContact O-N 3.41Å; N1079-I1081 VanDerWaalsContact C-N 3.33Å; N1079-I1081 PolarHBondContact O-N 2.85Å; I1081-D1083 PolarHBondContact O-N 2.9Å; I1081-N1084 PolarHBondContact O-N 2.79Å; I1081-I1085 WeakPolarHBondContact O-CB 3.46Å; I1081-I1085 PolarHBondContact O-N 2.88Å; I1081-L1102 HydrophobicContact CG2-CD1 3.73Å; I1081-L1144 HydrophobicContact CG2-CD1 4.25Å; I1081-A1147 HydrophobicContact CG2-CB 3.88Å; I1081-M1148 HydrophobicContact CD1-CG 3.84Å; I1081-M1148 HydrophobicContact CG1-CG 4.47Å; I1081-M1148 HydrophobicContact CG2-CG 4.47Å
1082A92.2Very high91.9Very high24 Ų2435.2 Ų35.220%0.19820%0.202CC..Hα-helixtrans-63.4-38.2179.500000112.6F1078 N1079 N1084 I1085 L1102F1078-A1082 HydrophobicContact CE1-CB 4.24Å; F1078-A1082 HydrophobicContact CZ-CB 4.37Å; F1078-A1082 VanDerWaalsContact O-CB 3.27Å; F1078-A1082 WeakPolarHBondContact O-CB 3.35Å; F1078-A1082 PolarHBondContact O-N 3.17Å; N1079-A1082 PolarHBondContact O-N 3.38Å; A1082-N1084 VanDerWaalsContact C-N 3.29Å; A1082-N1084 PolarHBondContact O-N 3.09Å; A1082-I1085 WeakPolarHBondContact O-CG2 3.48Å; A1082-L1102 HydrophobicContact CB-CB 4.28Å
1083D92Very high91.7Very high119 Ų11932.1 Ų32.164%0.63619%0.185SC*.Hα-helixtrans-70.4-28.1176.8-66.9-19.7000112.1N1079 I1081 P1087N1079-D1083 WeakPolarHBondContact O-CB 3.38Å; N1079-D1083 PolarHBondContact O-N 2.9Å; I1081-D1083 PolarHBondContact O-N 2.9Å; D1083-P1087 WeakPolarHBondContact O-CD 3.5Å
1084N91.9Very high91.4Very high24 Ų2436.9 Ų36.913%0.12820%0.198CC..Hα-helixtrans-96.2-20.6-175.1-75.2-61.3000114.4S1080 I1081 A1082 P1087 I1088 A1147 R1150S1080-N1084 WeakPolarHBondContact O-CB 3.3Å; S1080-N1084 PolarHBondContact O-N 2.85Å; S1080-N1084 PolarHBondContact O-ND2 2.83Å; I1081-N1084 PolarHBondContact O-N 2.79Å; A1082-N1084 VanDerWaalsContact C-N 3.29Å; A1082-N1084 PolarHBondContact O-N 3.09Å; N1084-P1087 WeakPolarHBondContact O-CD 3.34Å; N1084-I1088 HydrophobicContact CB-CD1 4.34Å; N1084-I1088 WeakPolarHBondContact O-CB 3.17Å; N1084-I1088 VanDerWaalsContact O-CD1 3.32Å; N1084-I1088 WeakPolarHBondContact O-CD1 3.35Å; N1084-I1088 WeakPolarHBondContact O-CG1 3.42Å; N1084-I1088 PolarHBondContact O-N 2.94Å; N1084-A1147 HydrophobicContact CB-CB 4.48Å; N1084-R1150 WeakPolarHBondContact OD1-CD 3.12Å; N1084-R1150 PolarHBondContact OD1-NE 3.34Å; N1084-R1150 VanDerWaalsContact OD1-NE 3.11Å; N1084-R1150 PolarHBondContact OD1-NH1 3.27Å
1085I93.6Very high91Very high0 Ų039.8 Ų39.80%021%0.213CC..Hα-helixtrans-67.3-41.8-175.4-164.9169.5000112.9I1081 A1082 I1088 Y1089 A1100 L1102 F1117 A1143 L1144 A1147I1081-I1085 WeakPolarHBondContact O-CB 3.46Å; I1081-I1085 PolarHBondContact O-N 2.88Å; A1082-I1085 WeakPolarHBondContact O-CG2 3.48Å; I1085-I1088 PolarHBondContact O-N 3.35Å; I1085-Y1089 VanDerWaalsContact O-CB 3.3Å; I1085-Y1089 WeakPolarHBondContact O-CB 3.47Å; I1085-Y1089 PolarHBondContact O-N 3.34Å; I1085-A1100 HydrophobicContact CG1-CB 4.22Å; I1085-L1102 HydrophobicContact CD1-CD1 3.81Å; I1085-L1102 HydrophobicContact CD1-CD2 4.47Å; I1085-L1102 HydrophobicContact CD1-CG 3.98Å; I1085-L1102 HydrophobicContact CG2-CD1 4.25Å; I1085-L1102 HydrophobicContact CG2-CG 4.41Å; I1085-F1117 HydrophobicContact CD1-CD2 4.1Å; I1085-F1117 HydrophobicContact CD1-CE2 3.39Å; I1085-F1117 HydrophobicContact CD1-CZ 3.91Å; I1085-F1117 HydrophobicContact CG1-CE2 4.44Å; I1085-A1143 HydrophobicContact CG1-CB 4.49Å; I1085-L1144 HydrophobicContact CD1-CB 4.12Å; I1085-L1144 HydrophobicContact CD1-CD1 3.71Å; I1085-A1147 HydrophobicContact CB-CB 4.05Å; I1085-A1147 HydrophobicContact CG1-CB 4.38Å
1086D91.7Very high90.6Very high40 Ų4044 Ų4421%0.21424%0.242CC..Hα-helixtrans-66-49.5-178.9-174.970.7000112.6I1088 Y1089 K1090 Q1099 A1100D1086-I1088 VanDerWaalsContact C-N 3.28Å; D1086-I1088 PolarHBondContact O-N 3.13Å; D1086-Y1089 PolarHBondContact O-N 3.34Å; D1086-K1090 WeakPolarHBondContact O-CG 3.49Å; D1086-K1090 PolarHBondContact O-N 2.98Å; D1086-K1090 IonicContact OD1-NZ 2.85Å; D1086-K1090 VanDerWaalsContact OD2-CE 3.22Å; D1086-K1090 WeakPolarHBondContact OD2-CE 3.29Å; D1086-K1090 IonicContact OD2-NZ 2.97Å; D1086-K1090 PolarHBondContact OD2-NZ 2.94Å; D1086-Q1099 VanDerWaalsContact OD1-CA 3.26Å; D1086-Q1099 WeakPolarHBondContact OD1-CA 3.01Å; D1086-A1100 WeakPolarHBondContact CB-O 3.46Å; D1086-A1100 PolarHBondContact OD1-N 2.98Å
1087P92Very high90.2Very high59 Ų5940.9 Ų40.938%0.38324%0.235SC..Hα-helixtrans-57.8-38.8174.1-25.133.9000113.4D1083 N1084 S1091D1083-P1087 WeakPolarHBondContact O-CD 3.5Å; N1084-P1087 WeakPolarHBondContact O-CD 3.34Å; P1087-S1091 WeakPolarHBondContact O-CB 3.08Å; P1087-S1091 PolarHBondContact O-N 3.25Å; P1087-S1091 PolarHBondContact O-OG 2.94Å
1088I92.1Very high90Very high8 Ų840.9 Ų40.94%0.04124%0.235CC..Hα-helixtrans-69.7-43.6179.5-71.1171.2000110.4N1084 I1085 D1086 K1090 S1091 L1092 A1143 F1146 A1147 F1177N1084-I1088 HydrophobicContact CB-CD1 4.34Å; N1084-I1088 WeakPolarHBondContact O-CB 3.17Å; N1084-I1088 VanDerWaalsContact O-CD1 3.32Å; N1084-I1088 WeakPolarHBondContact O-CD1 3.35Å; N1084-I1088 WeakPolarHBondContact O-CG1 3.42Å; N1084-I1088 PolarHBondContact O-N 2.94Å; I1085-I1088 PolarHBondContact O-N 3.35Å; D1086-I1088 VanDerWaalsContact C-N 3.28Å; D1086-I1088 PolarHBondContact O-N 3.13Å; I1088-K1090 PolarHBondContact O-N 2.94Å; I1088-S1091 WeakPolarHBondContact O-CB 3.33Å; I1088-S1091 PolarHBondContact O-N 2.86Å; I1088-L1092 HydrophobicContact CG2-CD1 3.82Å; I1088-L1092 HydrophobicContact CG2-CG 4.45Å; I1088-L1092 WeakPolarHBondContact O-CB 3.03Å; I1088-L1092 PolarHBondContact O-N 3.04Å; I1088-A1143 HydrophobicContact CG2-CB 4.12Å; I1088-F1146 HydrophobicContact CD1-CB 4.24Å; I1088-F1146 HydrophobicContact CG2-CB 3.86Å; I1088-A1147 HydrophobicContact CD1-CB 4.05Å; I1088-F1177 HydrophobicContact CG2-CZ 4.03Å
1089Y92.8Very high89.9Confident3 Ų344.4 Ų44.41%0.01225%0.251CS..Hα-helixtrans-63.6-40178.6-171.9-112000112.2I1085 D1086 L1092 S1093 A1098 Q1099 A1100 C1119 V1120 I1139 A1140 A1143I1085-Y1089 VanDerWaalsContact O-CB 3.3Å; I1085-Y1089 WeakPolarHBondContact O-CB 3.47Å; I1085-Y1089 PolarHBondContact O-N 3.34Å; D1086-Y1089 PolarHBondContact O-N 3.34Å; Y1089-L1092 PolarHBondContact O-N 3Å; Y1089-S1093 WeakPolarHBondContact O-CB 3.08Å; Y1089-S1093 PolarHBondContact O-N 3.42Å; Y1089-S1093 PolarHBondContact O-OG 2.92Å; Y1089-A1098 HydrophobicContact CD1-CB 3.84Å; Y1089-A1098 HydrophobicContact CE1-CB 3.67Å; Y1089-Q1099 WeakPolarHBondContact CE1-O 3.39Å; Y1089-A1100 HydrophobicContact CD1-CB 3.71Å; Y1089-A1100 HydrophobicContact CD2-CB 4.38Å; Y1089-A1100 HydrophobicContact CE1-CB 4.43Å; Y1089-A1100 HydrophobicContact CG-CB 3.67Å; Y1089-C1119 HydrophobicContact CE1-CB 4.17Å; Y1089-V1120 WeakPolarHBondContact CE1-O 3.34Å; Y1089-I1139 HydrophobicContact CD2-CG2 4.07Å; Y1089-I1139 HydrophobicContact CE2-CB 4.44Å; Y1089-I1139 HydrophobicContact CE2-CG2 3.74Å; Y1089-A1140 HydrophobicContact CE2-CB 4.04Å; Y1089-A1143 HydrophobicContact CD2-CB 3.7Å; Y1089-A1143 HydrophobicContact CG-CB 4.26Å
1090K91.1Very high89.9Confident65 Ų6541.2 Ų41.228%0.28324%0.235SC..Hα-helixtrans-61.8-41.7171.7-76.3171176164.10112.4D1086 I1088 S1093 R1094 N1095 A1098D1086-K1090 WeakPolarHBondContact O-CG 3.49Å; D1086-K1090 PolarHBondContact O-N 2.98Å; D1086-K1090 IonicContact OD1-NZ 2.85Å; D1086-K1090 VanDerWaalsContact OD2-CE 3.22Å; D1086-K1090 WeakPolarHBondContact OD2-CE 3.29Å; D1086-K1090 IonicContact OD2-NZ 2.97Å; D1086-K1090 PolarHBondContact OD2-NZ 2.94Å; I1088-K1090 PolarHBondContact O-N 2.94Å; K1090-S1093 PolarHBondContact O-OG 3.18Å; K1090-R1094 WeakPolarHBondContact O-CA 3.38Å; K1090-R1094 PolarHBondContact O-N 3.17Å; K1090-N1095 PolarHBondContact O-N 3.46Å; K1090-A1098 WeakPolarHBondContact CE-O 3.39Å; K1090-A1098 WeakPolarHBondContact CG-O 3.39Å
1091S89.6Confident89.8Confident57 Ų5741.3 Ų41.340%0.39924%0.235SC..Hα-helixtrans-66.7-43.7178.1-56.90000112P1087 I1088 R1094P1087-S1091 WeakPolarHBondContact O-CB 3.08Å; P1087-S1091 PolarHBondContact O-N 3.25Å; P1087-S1091 PolarHBondContact O-OG 2.94Å; I1088-S1091 WeakPolarHBondContact O-CB 3.33Å; I1088-S1091 PolarHBondContact O-N 2.86Å; S1091-R1094 VanDerWaalsContact O-CG 3.32Å; S1091-R1094 WeakPolarHBondContact O-CG 3.45Å; S1091-R1094 PolarHBondContact O-N 2.83Å
1092L90.4Very high89.8Confident0 Ų041.8 Ų41.80%024%0.238CC..Hα-helixtrans-65.4-42.5178-82164.5000112.7I1088 Y1089 R1094 I1139 L1142 A1143 F1146 V1174 F1177I1088-L1092 HydrophobicContact CG2-CD1 3.82Å; I1088-L1092 HydrophobicContact CG2-CG 4.45Å; I1088-L1092 WeakPolarHBondContact O-CB 3.03Å; I1088-L1092 PolarHBondContact O-N 3.04Å; Y1089-L1092 PolarHBondContact O-N 3Å; L1092-R1094 VanDerWaalsContact C-N 3.27Å; L1092-R1094 PolarHBondContact O-N 3.36Å; L1092-I1139 HydrophobicContact CB-CG2 4.09Å; L1092-L1142 HydrophobicContact CD1-CB 4.17Å; L1092-A1143 HydrophobicContact CD1-CB 3.71Å; L1092-F1146 HydrophobicContact CD1-CD2 4.29Å; L1092-V1174 HydrophobicContact CD2-CG2 4.35Å; L1092-F1177 HydrophobicContact CD2-CB 4.05Å; L1092-F1177 HydrophobicContact CD2-CD1 3.3Å; L1092-F1177 HydrophobicContact CD2-CD2 4.4Å; L1092-F1177 HydrophobicContact CD2-CE1 3.81Å; L1092-F1177 HydrophobicContact CD2-CG 3.64Å; L1092-F1177 HydrophobicContact CG-CD1 3.89Å; L1092-F1177 HydrophobicContact CG-CD2 4.3Å; L1092-F1177 HydrophobicContact CG-CE1 4.03Å; L1092-F1177 HydrophobicContact CG-CE2 4.41Å; L1092-F1177 HydrophobicContact CG-CG 4.03Å; L1092-F1177 HydrophobicContact CG-CZ 4.28Å
1093S86.8Confident89.6Confident4 Ų444.7 Ų44.73%0.02825%0.25CC..Hα-helixtrans-77.3-14.7178.459.70000113.3Y1089 K1090 N1095 A1098 K1173Y1089-S1093 WeakPolarHBondContact O-CB 3.08Å; Y1089-S1093 PolarHBondContact O-N 3.42Å; Y1089-S1093 PolarHBondContact O-OG 2.92Å; K1090-S1093 PolarHBondContact O-OG 3.18Å; S1093-N1095 PolarHBondContact O-N 2.56Å; S1093-A1098 VanDerWaalsContact OG-CB 3.22Å; S1093-A1098 WeakPolarHBondContact OG-CB 3.1Å; S1093-K1173 WeakPolarHBondContact O-CD 3.28Å; S1093-K1173 PolarHBondContact O-NZ 3.47Å
1094R85.8Confident89.5Confident128 Ų12840.9 Ų40.948%0.48323%0.231SC..THydrogen-bonded Turntrans46.939.9-169.9-66.6-170.2166.2-168-12.3112K1090 S1091 L1092 K1173 S1176 E1180K1090-R1094 WeakPolarHBondContact O-CA 3.38Å; K1090-R1094 PolarHBondContact O-N 3.17Å; S1091-R1094 VanDerWaalsContact O-CG 3.32Å; S1091-R1094 WeakPolarHBondContact O-CG 3.45Å; S1091-R1094 PolarHBondContact O-N 2.83Å; L1092-R1094 VanDerWaalsContact C-N 3.27Å; L1092-R1094 PolarHBondContact O-N 3.36Å; R1094-K1173 HydrophobicContact CB-CD 4.27Å; R1094-K1173 HydrophobicContact CB-CG 4.4Å; R1094-K1173 HydrophobicContact CG-CB 4.3Å; R1094-K1173 HydrophobicContact CG-CG 4.32Å; R1094-S1176 VanDerWaalsContact CZ-CB 3.48Å; R1094-E1180 IonicContact NH2-OE1 2.73Å; R1094-E1180 PolarHBondContact NH2-OE1 3.23Å
1095N84.9Confident89.2Confident61 Ų6143.3 Ų43.333%0.32625%0.247SC..  trans-141.2122.2-179.3-165.5-55.5000110.5K1090 S1093 G1097 A1098 P1122K1090-N1095 PolarHBondContact O-N 3.46Å; S1093-N1095 PolarHBondContact O-N 2.56Å; N1095-G1097 PolarHBondContact O-N 2.88Å; N1095-G1097 WeakPolarHBondContact OD1-CA 3.37Å; N1095-G1097 PolarHBondContact OD1-N 3.21Å; N1095-A1098 PolarHBondContact O-N 3.29Å; N1095-P1122 HydrophobicContact CB-CB 4.03Å; N1095-P1122 HydrophobicContact CB-CG 3.81Å
1096P83.4Confident88.8Confident113 Ų11345.3 Ų45.373%0.73426%0.258SS*.THydrogen-bonded Turntrans-67.1-19.6-179.526.6-33.7000113.6A1098P1096-A1098 VanDerWaalsContact C-N 3.33Å
1097G83.1Confident88.4Confident38 Ų3846.9 Ų46.939%0.39228%0.277SS..THydrogen-bonded Turntrans-80.6-6.5176.700000114.8N1095N1095-G1097 PolarHBondContact O-N 2.88Å; N1095-G1097 WeakPolarHBondContact OD1-CA 3.37Å; N1095-G1097 PolarHBondContact OD1-N 3.21Å
1098A86.9Confident88.1Confident0 Ų050.7 Ų50.70%029%0.289CS..  trans-76.9141.2169.900000110.5Y1089 K1090 S1093 N1095 P1096 V1120 P1122Y1089-A1098 HydrophobicContact CD1-CB 3.84Å; Y1089-A1098 HydrophobicContact CE1-CB 3.67Å; K1090-A1098 WeakPolarHBondContact CE-O 3.39Å; K1090-A1098 WeakPolarHBondContact CG-O 3.39Å; S1093-A1098 VanDerWaalsContact OG-CB 3.22Å; S1093-A1098 WeakPolarHBondContact OG-CB 3.1Å; N1095-A1098 PolarHBondContact O-N 3.29Å; P1096-A1098 VanDerWaalsContact C-N 3.33Å; A1098-V1120 VanDerWaalsContact CA-O 3.31Å; A1098-V1120 WeakPolarHBondContact CA-O 3.47Å; A1098-P1122 HydrophobicContact CB-CG 4.06Å
1099Q91.5Very high88Confident81 Ų8151.6 Ų51.638%0.37929%0.293SS..EExtended strand (participates in β ladder)trans-138.5143.8178.7-63.3-179.3-14.300110.6D1086 Y1089 C1119 V1120 F1126D1086-Q1099 VanDerWaalsContact OD1-CA 3.26Å; D1086-Q1099 WeakPolarHBondContact OD1-CA 3.01Å; Y1089-Q1099 WeakPolarHBondContact CE1-O 3.39Å; Q1099-C1119 CarbonylContact O-C 3.49Å; Q1099-C1119 VanDerWaalsContact O-CA 3.24Å; Q1099-C1119 WeakPolarHBondContact O-CA 3.45Å; Q1099-V1120 HydrophobicContact CB-CB 4.1Å; Q1099-V1120 HydrophobicContact CB-CG2 4.11Å; Q1099-V1120 PolarHBondContact N-O 3.23Å; Q1099-V1120 VanDerWaalsContact N-O 3.16Å; Q1099-V1120 PolarHBondContact O-N 3.38Å; Q1099-F1126 VanDerWaalsContact OE1-CZ 3.32Å
1100A91.1Very high87.8Confident5 Ų551.5 Ų51.54%0.04129%0.293CS..EExtended strand (participates in β ladder)trans-138.3130.6174.800000110.4I1085 D1086 Y1089 F1117 Q1118I1085-A1100 HydrophobicContact CG1-CB 4.22Å; D1086-A1100 WeakPolarHBondContact CB-O 3.46Å; D1086-A1100 PolarHBondContact OD1-N 2.98Å; Y1089-A1100 HydrophobicContact CD1-CB 3.71Å; Y1089-A1100 HydrophobicContact CD2-CB 4.38Å; Y1089-A1100 HydrophobicContact CE1-CB 4.43Å; Y1089-A1100 HydrophobicContact CG-CB 3.67Å; A1100-F1117 HydrophobicContact CB-CE2 4.34Å; A1100-Q1118 WeakPolarHBondContact CA-O 3.45Å
1101S91Very high87.8Confident38 Ų3848.7 Ų48.727%0.26628%0.281SS..EExtended strand (participates in β ladder)trans-135.3142.6-178.460.50000111.9Q1118S1101-Q1118 PolarHBondContact N-O 3.35Å; S1101-Q1118 PolarHBondContact O-N 3.39Å
1102L91.1Very high87.6Confident11 Ų1149.7 Ų49.76%0.05828%0.281CS..EExtended strand (participates in β ladder)trans-112.6131171.4-70.4165.9000109.1F159 F1078 I1081 A1082 I1085 I1115 Q1116 F1117 L1144F159-L1102 HydrophobicContact CE1-CD1 4.45Å; F159-L1102 HydrophobicContact CZ-CD1 3.77Å; F1078-L1102 HydrophobicContact CE2-CB 3.95Å; F1078-L1102 HydrophobicContact CZ-CB 4.03Å; I1081-L1102 HydrophobicContact CG2-CD1 3.73Å; A1082-L1102 HydrophobicContact CB-CB 4.28Å; I1085-L1102 HydrophobicContact CD1-CD1 3.81Å; I1085-L1102 HydrophobicContact CD1-CD2 4.47Å; I1085-L1102 HydrophobicContact CD1-CG 3.98Å; I1085-L1102 HydrophobicContact CG2-CD1 4.25Å; I1085-L1102 HydrophobicContact CG2-CG 4.41Å; L1102-I1115 HydrophobicContact CD2-CG2 4.01Å; L1102-Q1116 WeakPolarHBondContact CA-O 3.49Å; L1102-F1117 HydrophobicContact CD2-CB 3.86Å; L1102-F1117 HydrophobicContact CD2-CD2 3.7Å; L1102-F1117 HydrophobicContact CD2-CG 4.01Å; L1102-F1117 HydrophobicContact CG-CD2 4.3Å; L1102-L1144 HydrophobicContact CD1-CD1 4.02Å; L1102-L1144 HydrophobicContact CD2-CD1 4.39Å
1103L89Confident87.3Confident84 Ų8453.5 Ų53.544%0.4430%0.299SS..EExtended strand (participates in β ladder)trans-132.2125.8-177.2-69.1163.9000110.1Q1116L1103-Q1116 PolarHBondContact N-O 2.9Å; L1103-Q1116 PolarHBondContact O-N 2.9Å
1104P88.9Confident87.3Confident39 Ų3958 Ų5825%0.25332%0.32SS..EExtended strand (participates in β ladder)trans-81.5136.3172.332.1-25.4000109.6F1078 N1106 P1110F1078-P1104 HydrophobicContact CE1-CG 3.9Å; F1078-P1104 HydrophobicContact CZ-CB 4.36Å; F1078-P1104 VanDerWaalsContact CZ-CD 3.47Å; F1078-P1104 HydrophobicContact CZ-CG 3.99Å; P1104-N1106 VanDerWaalsContact C-N 3.35Å; P1104-P1110 HydrophobicContact CB-CB 4.08Å
1105T86.7Confident87.5Confident76 Ų7652 Ų5247%0.46630%0.297SS..SBendtrans-71.1-32.3-179.6-51.20000112.1E1114T1105-E1114 WeakPolarHBondContact CB-O 3.34Å; T1105-E1114 PolarHBondContact N-O 2.74Å; T1105-E1114 PolarHBondContact OG1-O 2.91Å
1106N84.9Confident87.6Confident41 Ų4152.9 Ų52.922%0.21930%0.299CS..  trans-123.9116.2177.2178.4-18000110.4P1104 E1108 E1109 P1110 E1113P1104-N1106 VanDerWaalsContact C-N 3.35Å; N1106-E1108 PolarHBondContact OD1-N 3.45Å; N1106-E1109 PolarHBondContact OD1-N 3.32Å; N1106-E1109 VanDerWaalsContact OD1-N 3.13Å; N1106-P1110 WeakPolarHBondContact O-CA 3.27Å; N1106-P1110 WeakPolarHBondContact O-CB 3.35Å; N1106-E1113 HydrophobicContact CB-CB 4.14Å; N1106-E1113 HydrophobicContact CB-CG 4.03Å; N1106-E1113 WeakPolarHBondContact CB-OE1 3.07Å; N1106-E1113 WeakPolarHBondContact CB-OE2 3.4Å; N1106-E1113 PolarHBondContact ND2-OE1 3.13Å
1107A84.3Confident87.9Confident74 Ų7447.9 Ų47.961%0.61227%0.266SS*.SBendtrans-77.3-18.5-177.900000113.9Y1071Y1071-A1107 WeakPolarHBondContact CE2-O 3.42Å
1108E85.3Confident88.2Confident138 Ų13849 Ų4965%0.64526%0.261SS*.SBendtrans-88-40.5-178.7-69.1-160.8179.700113.5R1067 Y1071 N1106R1067-E1108 IonicContact NH2-OE2 2.91Å; R1067-E1108 PolarHBondContact NH2-OE2 3.42Å; Y1071-E1108 VanDerWaalsContact CD2-O 3.31Å; Y1071-E1108 WeakPolarHBondContact CD2-O 3.33Å; N1106-E1108 PolarHBondContact OD1-N 3.45Å
1109E88.7Confident88.3Confident27 Ų2749 Ų4913%0.12626%0.261CS..SBendtrans-134.566.8178.5-62.1-160.2111.500110.2Y172 R1067 N1106 Y1111 L1112Y172-E1109 WeakPolarHBondContact CE2-OE1 3.31Å; Y172-E1109 PolarHBondContact OH-OE1 3.41Å; Y172-E1109 PolarHBondContact OH-OE2 3.04Å; R1067-E1109 IonicContact CZ-OE1 3.34Å; R1067-E1109 IonicContact NE-OE1 3.82Å; R1067-E1109 PolarHBondContact NE-OE1 3.02Å; R1067-E1109 VanDerWaalsContact NE-OE1 3.13Å; N1106-E1109 PolarHBondContact OD1-N 3.32Å; N1106-E1109 VanDerWaalsContact OD1-N 3.13Å; E1109-Y1111 HydrophobicContact CB-CE2 4Å; E1109-Y1111 HydrophobicContact CG-CE2 4.42Å; E1109-Y1111 WeakPolarHBondContact CG-OH 3.47Å; E1109-Y1111 PolarHBondContact O-N 3.12Å; E1109-Y1111 VanDerWaalsContact O-N 3.13Å; E1109-Y1111 PolarHBondContact OE1-OH 2.82Å; E1109-L1112 HydrophobicContact CB-CD1 3.81Å; E1109-L1112 HydrophobicContact CB-CG 4.09Å; E1109-L1112 HydrophobicContact CG-CD1 4.38Å; E1109-L1112 PolarHBondContact O-N 3.26Å; E1109-L1112 VanDerWaalsContact OE2-CD1 3.25Å; E1109-L1112 WeakPolarHBondContact OE2-CD1 3.25Å
1110P89.7Confident88.2Confident2 Ų245.6 Ų45.61%0.01325%0.246CC..G310 helixtrans-63.5-25.2-170.427-37000113.4Y1071 F1074 M1075 P1104 N1106 L1112 E1113Y1071-P1110 HydrophobicContact CD2-CG 4.36Å; Y1071-P1110 HydrophobicContact CE2-CG 4.35Å; F1074-P1110 HydrophobicContact CD1-CB 3.95Å; F1074-P1110 HydrophobicContact CD1-CG 3.54Å; F1074-P1110 HydrophobicContact CE1-CB 3.55Å; F1074-P1110 HydrophobicContact CE1-CG 3.72Å; F1074-P1110 HydrophobicContact CG-CG 4.42Å; F1074-P1110 HydrophobicContact CZ-CB 4.28Å; M1075-P1110 HydrophobicContact CG-CG 4.08Å; M1075-P1110 HydrophobicContact SD-CB 4.45Å; M1075-P1110 HydrophobicContact SD-CG 3.83Å; P1104-P1110 HydrophobicContact CB-CB 4.08Å; N1106-P1110 WeakPolarHBondContact O-CA 3.27Å; N1106-P1110 WeakPolarHBondContact O-CB 3.35Å; P1110-L1112 PolarHBondContact O-N 2.81Å; P1110-E1113 PolarHBondContact O-N 2.91Å
1111Y90.3Very high87.8Confident6 Ų645.4 Ų45.42%0.02424%0.244CC..G310 helixtrans-72.3-6176.250-103.1000114.5Y172 R1067 R1070 F1074 E1109Y172-Y1111 HydrophobicContact CE2-CE2 4.19Å; R1067-Y1111 WeakPolarHBondContact CG-OH 3.24Å; R1070-Y1111 HydrophobicContact CB-CE1 4.39Å; R1070-Y1111 HydrophobicContact CG-CD1 4.02Å; R1070-Y1111 HydrophobicContact CG-CD2 4.46Å; R1070-Y1111 HydrophobicContact CG-CE1 4.13Å; R1070-Y1111 HydrophobicContact CG-CG 4.2Å; F1074-Y1111 HydrophobicContact CB-CD1 4.36Å; E1109-Y1111 HydrophobicContact CB-CE2 4Å; E1109-Y1111 HydrophobicContact CG-CE2 4.42Å; E1109-Y1111 WeakPolarHBondContact CG-OH 3.47Å; E1109-Y1111 PolarHBondContact O-N 3.12Å; E1109-Y1111 VanDerWaalsContact O-N 3.13Å; E1109-Y1111 PolarHBondContact OE1-OH 2.82Å
1112L86.8Confident87.4Confident77 Ų7746.1 Ų46.140%0.40325%0.248SC..G310 helixtrans-96.4-18.2175.5-63.6-178.1000113.1E1109 P1110E1109-L1112 HydrophobicContact CB-CD1 3.81Å; E1109-L1112 HydrophobicContact CB-CG 4.09Å; E1109-L1112 HydrophobicContact CG-CD1 4.38Å; E1109-L1112 PolarHBondContact O-N 3.26Å; E1109-L1112 VanDerWaalsContact OE2-CD1 3.25Å; E1109-L1112 WeakPolarHBondContact OE2-CD1 3.25Å; P1110-L1112 PolarHBondContact O-N 2.81Å
1113E82.4Confident86.7Confident80 Ų8049.8 Ų49.837%0.37429%0.288SS..SBendtrans-124.1-157.1-169.9-68.6-169.6-151.300112.2C156 N1106 P1110C156-E1113 WeakPolarHBondContact CB-O 3.2Å; C156-E1113 PolarHBondContact SG-O 3.24Å; N1106-E1113 HydrophobicContact CB-CB 4.14Å; N1106-E1113 HydrophobicContact CB-CG 4.03Å; N1106-E1113 WeakPolarHBondContact CB-OE1 3.07Å; N1106-E1113 WeakPolarHBondContact CB-OE2 3.4Å; N1106-E1113 PolarHBondContact ND2-OE1 3.13Å; P1110-E1113 PolarHBondContact O-N 2.91Å
1114E87.9Confident86.4Confident100 Ų10050.1 Ų50.147%0.46729%0.286SS..  trans-99137.7-167.9-74.3-173.2-17700112.3A152 T1105A152-E1114 HydrophobicContact CB-CB 3.53Å; A152-E1114 HydrophobicContact CB-CG 3.72Å; T1105-E1114 WeakPolarHBondContact CB-O 3.34Å; T1105-E1114 PolarHBondContact N-O 2.74Å; T1105-E1114 PolarHBondContact OG1-O 2.91Å
1115I89.3Confident85.9Confident0 Ų058.9 Ų58.90%031%0.314CS..EExtended strand (participates in β ladder)trans-98.6115.2166.3-59177.3000108.7A152 R155 C156 F159 F1074 F1078 L1102A152-I1115 WeakPolarHBondContact CB-O 3.2Å; A152-I1115 PolarHBondContact O-N 2.74Å; R155-I1115 HydrophobicContact CG-CB 4.47Å; R155-I1115 PolarHBondContact NH1-O 2.9Å; C156-I1115 HydrophobicContact CB-CD1 4.3Å; C156-I1115 HydrophobicContact CB-CG1 4.11Å; F159-I1115 HydrophobicContact CB-CD1 3.84Å; F159-I1115 HydrophobicContact CD1-CD1 4.03Å; F159-I1115 HydrophobicContact CD2-CD1 3.59Å; F159-I1115 HydrophobicContact CE1-CD1 4.48Å; F159-I1115 HydrophobicContact CE2-CD1 4.08Å; F159-I1115 HydrophobicContact CG-CD1 3.54Å; F1074-I1115 HydrophobicContact CE1-CD1 4.46Å; F1074-I1115 HydrophobicContact CZ-CD1 3.78Å; F1074-I1115 HydrophobicContact CZ-CG1 4.3Å; F1078-I1115 HydrophobicContact CD2-CD1 4.09Å; F1078-I1115 HydrophobicContact CE2-CD1 4.3Å; F1078-I1115 HydrophobicContact CE2-CG1 4.46Å; F1078-I1115 HydrophobicContact CE2-CG2 3.84Å; L1102-I1115 HydrophobicContact CD2-CG2 4.01Å
1116Q88.1Confident85.5Confident80 Ų8061.1 Ų61.137%0.37432%0.318SS..EExtended strand (participates in β ladder)trans-82.7137.6174.5-62.2-169.9-1.100111L1102 L1103L1102-Q1116 WeakPolarHBondContact CA-O 3.49Å; L1103-Q1116 PolarHBondContact N-O 2.9Å; L1103-Q1116 PolarHBondContact O-N 2.9Å
1117F89.9Confident84.8Confident8 Ų862.6 Ų62.64%0.03532%0.324CS..EExtended strand (participates in β ladder)trans-119.8118.1174.9-179.3-146.8000108.9R155 I1085 A1100 L1102 C1119 M1129 A1140 L1144R155-F1117 VanDerWaalsContact CZ-CB 3.44Å; I1085-F1117 HydrophobicContact CD1-CD2 4.1Å; I1085-F1117 HydrophobicContact CD1-CE2 3.39Å; I1085-F1117 HydrophobicContact CD1-CZ 3.91Å; I1085-F1117 HydrophobicContact CG1-CE2 4.44Å; A1100-F1117 HydrophobicContact CB-CE2 4.34Å; L1102-F1117 HydrophobicContact CD2-CB 3.86Å; L1102-F1117 HydrophobicContact CD2-CD2 3.7Å; L1102-F1117 HydrophobicContact CD2-CG 4.01Å; L1102-F1117 HydrophobicContact CG-CD2 4.3Å; F1117-C1119 WeakPolarHBondContact CE2-SG 3.43Å; F1117-C1119 WeakPolarHBondContact CZ-SG 3.38Å; F1117-M1129 HydrophobicContact CD1-CE 3.88Å; F1117-M1129 HydrophobicContact CD1-CG 3.96Å; F1117-M1129 HydrophobicContact CD1-SD 3.66Å; F1117-M1129 HydrophobicContact CD2-CE 4.41Å; F1117-M1129 HydrophobicContact CE1-CE 3.93Å; F1117-M1129 HydrophobicContact CE1-SD 3.73Å; F1117-M1129 HydrophobicContact CE2-CE 4.44Å; F1117-M1129 HydrophobicContact CG-CE 4.13Å; F1117-M1129 HydrophobicContact CG-CG 4.48Å; F1117-M1129 HydrophobicContact CG-SD 4.43Å; F1117-M1129 HydrophobicContact CZ-CE 4.22Å; F1117-A1140 HydrophobicContact CE1-CB 3.96Å; F1117-A1140 HydrophobicContact CZ-CB 3.9Å; F1117-L1144 HydrophobicContact CE1-CB 4.48Å; F1117-L1144 HydrophobicContact CE1-CD2 4.45Å; F1117-L1144 HydrophobicContact CZ-CB 4.39Å
1118Q88.1Confident84.5Confident61 Ų6166 Ų6629%0.28533%0.327SS..EExtended strand (participates in β ladder)trans-125.7136.9-175.8-57.5179.56.700108.9A1100 S1101A1100-Q1118 WeakPolarHBondContact CA-O 3.45Å; S1101-Q1118 PolarHBondContact N-O 3.35Å; S1101-Q1118 PolarHBondContact O-N 3.39Å
1119C89Confident84.3Confident0 Ų059.9 Ų59.90%030%0.298CS..EExtended strand (participates in β ladder)trans-133.7153.1174.7-63.40000111.7Y1089 Q1099 F1117 M1129 L1132Y1089-C1119 HydrophobicContact CE1-CB 4.17Å; Q1099-C1119 CarbonylContact O-C 3.49Å; Q1099-C1119 VanDerWaalsContact O-CA 3.24Å; Q1099-C1119 WeakPolarHBondContact O-CA 3.45Å; F1117-C1119 WeakPolarHBondContact CE2-SG 3.43Å; F1117-C1119 WeakPolarHBondContact CZ-SG 3.38Å; C1119-M1129 HydrophobicContact CB-CE 3.55Å; C1119-M1129 WeakPolarHBondContact SG-CE 3.41Å; C1119-L1132 HydrophobicContact CB-CD1 4.25Å
1120V89Confident84.1Confident10 Ų1063.4 Ų63.46%0.06132%0.318CS..EExtended strand (participates in β ladder)trans-114.7110.3170.5-174.90000107.3Y1089 A1098 Q1099 K1124 F1126Y1089-V1120 WeakPolarHBondContact CE1-O 3.34Å; A1098-V1120 VanDerWaalsContact CA-O 3.31Å; A1098-V1120 WeakPolarHBondContact CA-O 3.47Å; Q1099-V1120 HydrophobicContact CB-CB 4.1Å; Q1099-V1120 HydrophobicContact CB-CG2 4.11Å; Q1099-V1120 PolarHBondContact N-O 3.23Å; Q1099-V1120 VanDerWaalsContact N-O 3.16Å; Q1099-V1120 PolarHBondContact O-N 3.38Å; V1120-K1124 WeakPolarHBondContact CG1-O 3.42Å; V1120-F1126 HydrophobicContact CG2-CB 4.36Å; V1120-F1126 HydrophobicContact CG2-CD1 3.23Å; V1120-F1126 HydrophobicContact CG2-CD2 3.74Å; V1120-F1126 HydrophobicContact CG2-CE1 3.2Å; V1120-F1126 HydrophobicContact CG2-CE2 3.71Å; V1120-F1126 HydrophobicContact CG2-CG 3.5Å; V1120-F1126 HydrophobicContact CG2-CZ 3.44Å; V1120-F1126 VanDerWaalsContact CG2-CZ 3.44Å
1121A84Confident83.7Confident1 Ų167 Ų671%0.00834%0.343CS..  trans-70.4152.3172.800000110.5G1123 K1124 L1132 E1136A1121-G1123 PolarHBondContact O-N 3.02Å; A1121-G1123 VanDerWaalsContact O-N 3.16Å; A1121-K1124 HydrophobicContact CB-CB 4.3Å; A1121-K1124 HydrophobicContact CB-CD 4.13Å; A1121-K1124 HydrophobicContact CB-CG 4.34Å; A1121-K1124 PolarHBondContact O-N 2.96Å; A1121-L1132 HydrophobicContact CB-CD2 4.43Å; A1121-E1136 HydrophobicContact CB-CG 4.05Å; A1121-E1136 VanDerWaalsContact CB-OE1 3.25Å; A1121-E1136 WeakPolarHBondContact CB-OE1 3.47Å
1122P82Confident83.4Confident53 Ų5367.1 Ų67.134%0.34434%0.344SS..THydrogen-bonded Turntrans-51.4121.9178.6-28.136.3000112.7N1095 A1098 K1124N1095-P1122 HydrophobicContact CB-CB 4.03Å; N1095-P1122 HydrophobicContact CB-CG 3.81Å; A1098-P1122 HydrophobicContact CB-CG 4.06Å; P1122-K1124 VanDerWaalsContact C-N 3.3Å; P1122-K1124 PolarHBondContact O-N 2.91Å
1123G77.3Confident83.4Confident88 Ų8866.8 Ų66.891%0.90735%0.348SS*.THydrogen-bonded Turntrans77.25179.600000115.8A1121A1121-G1123 PolarHBondContact O-N 3.02Å; A1121-G1123 VanDerWaalsContact O-N 3.16Å
1124K81.4Confident83.4Confident91 Ų9164.2 Ų64.240%0.39634%0.343SS..  trans-108.2168.1176.2-64-167-171.4170.90112.2V1120 A1121 P1122 E1136V1120-K1124 WeakPolarHBondContact CG1-O 3.42Å; A1121-K1124 HydrophobicContact CB-CB 4.3Å; A1121-K1124 HydrophobicContact CB-CD 4.13Å; A1121-K1124 HydrophobicContact CB-CG 4.34Å; A1121-K1124 PolarHBondContact O-N 2.96Å; P1122-K1124 VanDerWaalsContact C-N 3.3Å; P1122-K1124 PolarHBondContact O-N 2.91Å; K1124-E1136 WeakPolarHBondContact CE-OE1 3.41Å; K1124-E1136 IonicContact NZ-OE1 3.05Å; K1124-E1136 PolarHBondContact NZ-OE1 3.26Å; K1124-E1136 IonicContact NZ-OE2 3.26Å; K1124-E1136 PolarHBondContact NZ-OE2 3.2Å
1125R80.1Confident83.4Confident223 Ų22360 Ų6084%0.84233%0.326SS*.  trans-85.1166.1171.2-62.1-178.2-178.1-176.40.2110.3Q1127R1125-Q1127 PolarHBondContact O-N 3.17Å
1126F76.7Confident83.3Confident123 Ų12361.4 Ų61.454%0.53933%0.333SS..  trans-53.2124.8170.8-78.5-86.5000111.1Q1099 V1120Q1099-F1126 VanDerWaalsContact OE1-CZ 3.32Å; V1120-F1126 HydrophobicContact CG2-CB 4.36Å; V1120-F1126 HydrophobicContact CG2-CD1 3.23Å; V1120-F1126 HydrophobicContact CG2-CD2 3.74Å; V1120-F1126 HydrophobicContact CG2-CE1 3.2Å; V1120-F1126 HydrophobicContact CG2-CE2 3.71Å; V1120-F1126 HydrophobicContact CG2-CG 3.5Å; V1120-F1126 HydrophobicContact CG2-CZ 3.44Å; V1120-F1126 VanDerWaalsContact CG2-CZ 3.44Å
1127Q71Confident83.3Confident73 Ų7359.1 Ų59.134%0.34132%0.322SS..EExtended strand (participates in β ladder)trans-134.7149.3178.4-74.3-176.9-19.900109.8R1125 L1132R1125-Q1127 PolarHBondContact O-N 3.17Å; Q1127-L1132 HydrophobicContact CB-CD2 4.33Å
1128Q77.3Confident83.2Confident144 Ų14458.9 Ų58.967%0.67332%0.321SS*.EExtended strand (participates in β ladder)trans-67.7153.6169.7-68.9-175.8-16.600110D1130 S1131Q1128-D1130 PolarHBondContact O-N 3.36Å; Q1128-D1130 VanDerWaalsContact O-N 3.09Å; Q1128-S1131 PolarHBondContact O-N 2.97Å
1129M82.2Confident83.3Confident10 Ų1056.6 Ų56.65%0.04931%0.311CS..G310 helixtrans-48.7-41.5-178.9-76.2-63.8121.600112.8A148 F1117 C1119 S1131 L1132 K1137 A1140A148-M1129 HydrophobicContact CB-SD 4.26Å; F1117-M1129 HydrophobicContact CD1-CE 3.88Å; F1117-M1129 HydrophobicContact CD1-CG 3.96Å; F1117-M1129 HydrophobicContact CD1-SD 3.66Å; F1117-M1129 HydrophobicContact CD2-CE 4.41Å; F1117-M1129 HydrophobicContact CE1-CE 3.93Å; F1117-M1129 HydrophobicContact CE1-SD 3.73Å; F1117-M1129 HydrophobicContact CE2-CE 4.44Å; F1117-M1129 HydrophobicContact CG-CE 4.13Å; F1117-M1129 HydrophobicContact CG-CG 4.48Å; F1117-M1129 HydrophobicContact CG-SD 4.43Å; F1117-M1129 HydrophobicContact CZ-CE 4.22Å; C1119-M1129 HydrophobicContact CB-CE 3.55Å; C1119-M1129 WeakPolarHBondContact SG-CE 3.41Å; M1129-S1131 PolarHBondContact O-N 2.92Å; M1129-L1132 HydrophobicContact CE-CD1 3.7Å; M1129-L1132 WeakPolarHBondContact O-CB 3.5Å; M1129-L1132 PolarHBondContact O-N 3.38Å; M1129-L1132 HydrophobicContact SD-CD1 3.89Å; M1129-K1137 WeakPolarHBondContact O-CE 3.46Å; M1129-A1140 HydrophobicContact CE-CB 4.42Å; M1129-A1140 HydrophobicContact SD-CB 4.19Å
1130D83Confident83.4Confident102 Ų10256.6 Ų56.655%0.54531%0.311SS..G310 helixtrans-59.9-31.6-177.5-64.7-17.6000113.5M149 Q1128 K1137M149-D1130 WeakPolarHBondContact CE-OD1 3.44Å; Q1128-D1130 PolarHBondContact O-N 3.36Å; Q1128-D1130 VanDerWaalsContact O-N 3.09Å; D1130-K1137 PolarHBondContact O-NZ 3.47Å
1131S82.6Confident83.4Confident78 Ų7856.1 Ų56.155%0.54531%0.308SS..G310 helixtrans-85.1-8.9-176.9-600000114.2Q1128 M1129Q1128-S1131 PolarHBondContact O-N 2.97Å; M1129-S1131 PolarHBondContact O-N 2.92Å
1132L83.5Confident83.7Confident8 Ų856 Ų564%0.04231%0.307CS..SBendtrans-76.3153.3178.3-66.8173.5000111.9C1119 A1121 Q1127 M1129 E1136 K1137C1119-L1132 HydrophobicContact CB-CD1 4.25Å; A1121-L1132 HydrophobicContact CB-CD2 4.43Å; Q1127-L1132 HydrophobicContact CB-CD2 4.33Å; M1129-L1132 HydrophobicContact CE-CD1 3.7Å; M1129-L1132 WeakPolarHBondContact O-CB 3.5Å; M1129-L1132 PolarHBondContact O-N 3.38Å; M1129-L1132 HydrophobicContact SD-CD1 3.89Å; L1132-E1136 HydrophobicContact CB-CB 4.04Å; L1132-E1136 HydrophobicContact CD2-CB 4.42Å; L1132-K1137 HydrophobicContact CB-CG 3.92Å; L1132-K1137 WeakPolarHBondContact O-CE 3.35Å; L1132-K1137 PolarHBondContact O-NZ 3Å
1133S86Confident84.1Confident69 Ų6953.5 Ų53.548%0.48329%0.291SS..  trans-64.3154.9172.41780000111.3G1135 E1136 K1137S1133-G1135 VanDerWaalsContact C-N 3.27Å; S1133-G1135 PolarHBondContact O-N 3.34Å; S1133-E1136 WeakPolarHBondContact CB-OE2 3.46Å; S1133-E1136 PolarHBondContact N-OE2 3.1Å; S1133-E1136 WeakPolarHBondContact O-CB 3.48Å; S1133-E1136 PolarHBondContact O-N 2.95Å; S1133-K1137 WeakPolarHBondContact O-CG 3.3Å; S1133-K1137 PolarHBondContact O-N 3.31Å
1134G84.2Confident84.8Confident26 Ų2649.4 Ų49.427%0.26825%0.248SC..Hα-helixtrans-54.2-41177.300000113.3E1136 K1137 T1138G1134-E1136 PolarHBondContact O-N 2.95Å; G1134-K1137 PolarHBondContact O-N 2.94Å; G1134-T1138 WeakPolarHBondContact O-CB 3.34Å; G1134-T1138 PolarHBondContact O-N 2.86Å; G1134-T1138 PolarHBondContact O-OG1 3.37Å
1135G86.1Confident85.1Confident11 Ų1145.3 Ų45.311%0.11323%0.23CC..Hα-helixtrans-65.6-37.8174.400000113.3S1133 T1138 I1139 A1165S1133-G1135 VanDerWaalsContact C-N 3.27Å; S1133-G1135 PolarHBondContact O-N 3.34Å; G1135-T1138 WeakPolarHBondContact O-CB 3.29Å; G1135-T1138 PolarHBondContact O-N 2.85Å; G1135-I1139 WeakPolarHBondContact O-CG1 3.42Å; G1135-I1139 PolarHBondContact O-N 2.89Å; G1135-A1165 VanDerWaalsContact CA-O 3.26Å; G1135-A1165 WeakPolarHBondContact CA-O 3.16Å
1136E87.3Confident85.6Confident31 Ų3134.7 Ų34.715%0.14519%0.19CC..Hα-helixtrans-70.2-40.2177.3-67.8169161.400111.6A1121 K1124 L1132 S1133 G1134 T1138 I1139 A1140A1121-E1136 HydrophobicContact CB-CG 4.05Å; A1121-E1136 VanDerWaalsContact CB-OE1 3.25Å; A1121-E1136 WeakPolarHBondContact CB-OE1 3.47Å; K1124-E1136 WeakPolarHBondContact CE-OE1 3.41Å; K1124-E1136 IonicContact NZ-OE1 3.05Å; K1124-E1136 PolarHBondContact NZ-OE1 3.26Å; K1124-E1136 IonicContact NZ-OE2 3.26Å; K1124-E1136 PolarHBondContact NZ-OE2 3.2Å; L1132-E1136 HydrophobicContact CB-CB 4.04Å; L1132-E1136 HydrophobicContact CD2-CB 4.42Å; S1133-E1136 WeakPolarHBondContact CB-OE2 3.46Å; S1133-E1136 PolarHBondContact N-OE2 3.1Å; S1133-E1136 WeakPolarHBondContact O-CB 3.48Å; S1133-E1136 PolarHBondContact O-N 2.95Å; G1134-E1136 PolarHBondContact O-N 2.95Å; E1136-T1138 VanDerWaalsContact C-N 3.28Å; E1136-T1138 PolarHBondContact O-N 3.42Å; E1136-I1139 PolarHBondContact O-N 3.28Å; E1136-A1140 WeakPolarHBondContact O-CB 3.35Å; E1136-A1140 PolarHBondContact O-N 2.61Å
1137K88.3Confident86.2Confident32 Ų3228.8 Ų28.814%0.13917%0.165CC..Hα-helixtrans-59-41.9171.7-72.4172.5173.8167.80111A148 M149 M1129 D1130 L1132 S1133 G1134 A1140 A1141A148-K1137 HydrophobicContact CB-CB 4.49Å; M149-K1137 HydrophobicContact CG-CD 4.44Å; M149-K1137 HydrophobicContact SD-CD 3.81Å; M149-K1137 WeakPolarHBondContact SD-CE 3.18Å; M1129-K1137 WeakPolarHBondContact O-CE 3.46Å; D1130-K1137 PolarHBondContact O-NZ 3.47Å; L1132-K1137 HydrophobicContact CB-CG 3.92Å; L1132-K1137 WeakPolarHBondContact O-CE 3.35Å; L1132-K1137 PolarHBondContact O-NZ 3Å; S1133-K1137 WeakPolarHBondContact O-CG 3.3Å; S1133-K1137 PolarHBondContact O-N 3.31Å; G1134-K1137 PolarHBondContact O-N 2.94Å; K1137-A1140 PolarHBondContact O-N 3.17Å; K1137-A1141 WeakPolarHBondContact O-CB 3.38Å; K1137-A1141 PolarHBondContact O-N 3.48Å
1138T88.7Confident87Confident3 Ų325.4 Ų25.42%0.01815%0.149CC..Hα-helixtrans-62.6-47176.8-62.30000111.4V144 G1134 G1135 E1136 A1140 A1141 L1142 I1162 L1166V144-T1138 HydrophobicContact CG1-CG2 3.89Å; G1134-T1138 WeakPolarHBondContact O-CB 3.34Å; G1134-T1138 PolarHBondContact O-N 2.86Å; G1134-T1138 PolarHBondContact O-OG1 3.37Å; G1135-T1138 WeakPolarHBondContact O-CB 3.29Å; G1135-T1138 PolarHBondContact O-N 2.85Å; E1136-T1138 VanDerWaalsContact C-N 3.28Å; E1136-T1138 PolarHBondContact O-N 3.42Å; T1138-A1140 PolarHBondContact O-N 2.73Å; T1138-A1141 PolarHBondContact O-N 2.75Å; T1138-L1142 HydrophobicContact CG2-CD1 4.28Å; T1138-L1142 VanDerWaalsContact O-CG 3.32Å; T1138-L1142 WeakPolarHBondContact O-CG 3.1Å; T1138-L1142 PolarHBondContact O-N 2.86Å; T1138-I1162 WeakPolarHBondContact CG2-O 3.33Å; T1138-L1166 HydrophobicContact CG2-CD1 4.19Å; T1138-L1166 HydrophobicContact CG2-CD2 4.05Å; T1138-L1166 HydrophobicContact CG2-CG 4.04Å
1139I90Very high87.4Confident12 Ų1218.6 Ų18.66%0.06212%0.117CC..Hα-helixtrans-63.6-41.7176.6-64168000111.2Y1089 L1092 G1135 E1136 L1142 A1143 L1166 N1170Y1089-I1139 HydrophobicContact CD2-CG2 4.07Å; Y1089-I1139 HydrophobicContact CE2-CB 4.44Å; Y1089-I1139 HydrophobicContact CE2-CG2 3.74Å; L1092-I1139 HydrophobicContact CB-CG2 4.09Å; G1135-I1139 WeakPolarHBondContact O-CG1 3.42Å; G1135-I1139 PolarHBondContact O-N 2.89Å; E1136-I1139 PolarHBondContact O-N 3.28Å; I1139-L1142 PolarHBondContact O-N 3.3Å; I1139-A1143 PolarHBondContact O-N 2.86Å; I1139-L1166 HydrophobicContact CD1-CD2 4.28Å; I1139-L1166 HydrophobicContact CG1-CD2 3.93Å; I1139-N1170 HydrophobicContact CD1-CB 4.31Å
1140A90.1Very high87.6Confident0 Ų022.8 Ų22.80%013%0.132CC..Hα-helixtrans-64.5-41.9177.600000112.2Y1089 F1117 M1129 E1136 K1137 T1138 A1143 L1144Y1089-A1140 HydrophobicContact CE2-CB 4.04Å; F1117-A1140 HydrophobicContact CE1-CB 3.96Å; F1117-A1140 HydrophobicContact CZ-CB 3.9Å; M1129-A1140 HydrophobicContact CE-CB 4.42Å; M1129-A1140 HydrophobicContact SD-CB 4.19Å; E1136-A1140 WeakPolarHBondContact O-CB 3.35Å; E1136-A1140 PolarHBondContact O-N 2.61Å; K1137-A1140 PolarHBondContact O-N 3.17Å; T1138-A1140 PolarHBondContact O-N 2.73Å; A1140-A1143 PolarHBondContact O-N 2.85Å; A1140-L1144 PolarHBondContact O-N 3.08Å
1141A89.7Confident87.7Confident0 Ų021.6 Ų21.60%012%0.121CC..Hα-helixtrans-63.2-44.1174.700000112.1V144 I147 A148 K1137 T1138 A1143 L1144 L1145V144-A1141 HydrophobicContact CG1-CB 3.75Å; V144-A1141 WeakPolarHBondContact O-CB 3.46Å; I147-A1141 HydrophobicContact CB-CB 4.36Å; A148-A1141 HydrophobicContact CB-CB 3.95Å; K1137-A1141 WeakPolarHBondContact O-CB 3.38Å; K1137-A1141 PolarHBondContact O-N 3.48Å; T1138-A1141 PolarHBondContact O-N 2.75Å; A1141-A1143 VanDerWaalsContact C-N 3.33Å; A1141-A1143 PolarHBondContact O-N 2.68Å; A1141-L1144 PolarHBondContact O-N 3.11Å; A1141-L1145 WeakPolarHBondContact O-CB 3.28Å; A1141-L1145 WeakPolarHBondContact O-CG 3.43Å; A1141-L1145 PolarHBondContact O-N 2.82Å
1142L89.7Confident87.6Confident0 Ų018.9 Ų18.90%010%0.1CC..Hα-helixtrans-60.7-43175.2-72.8172.4000111.1V144 L1092 T1138 I1139 L1144 L1145 F1146 L1159 I1162 V1174V144-L1142 HydrophobicContact CG1-CG 4.33Å; L1092-L1142 HydrophobicContact CD1-CB 4.17Å; T1138-L1142 HydrophobicContact CG2-CD1 4.28Å; T1138-L1142 VanDerWaalsContact O-CG 3.32Å; T1138-L1142 WeakPolarHBondContact O-CG 3.1Å; T1138-L1142 PolarHBondContact O-N 2.86Å; I1139-L1142 PolarHBondContact O-N 3.3Å; L1142-L1144 PolarHBondContact O-N 3.47Å; L1142-L1145 PolarHBondContact O-N 2.82Å; L1142-F1146 HydrophobicContact CB-CD2 4.39Å; L1142-F1146 HydrophobicContact CB-CE2 4.35Å; L1142-F1146 HydrophobicContact CD2-CE2 4.36Å; L1142-F1146 WeakPolarHBondContact O-CD2 3.34Å; L1142-F1146 PolarHBondContact O-N 3.06Å; L1142-L1159 HydrophobicContact CD2-CD2 4.43Å; L1142-I1162 HydrophobicContact CD1-CD1 4.28Å; L1142-I1162 HydrophobicContact CD2-CD1 4.18Å; L1142-V1174 HydrophobicContact CD1-CG1 3.98Å
1143A91.3Very high87.4Confident0 Ų021.4 Ų21.40%012%0.117CC..Hα-helixtrans-61.4-44.1177.400000112.6I1085 I1088 Y1089 L1092 I1139 A1140 A1141 F1146 A1147I1085-A1143 HydrophobicContact CG1-CB 4.49Å; I1088-A1143 HydrophobicContact CG2-CB 4.12Å; Y1089-A1143 HydrophobicContact CD2-CB 3.7Å; Y1089-A1143 HydrophobicContact CG-CB 4.26Å; L1092-A1143 HydrophobicContact CD1-CB 3.71Å; I1139-A1143 PolarHBondContact O-N 2.86Å; A1140-A1143 PolarHBondContact O-N 2.85Å; A1141-A1143 VanDerWaalsContact C-N 3.33Å; A1141-A1143 PolarHBondContact O-N 2.68Å; A1143-F1146 PolarHBondContact O-N 3.33Å; A1143-A1147 WeakPolarHBondContact O-CB 3.41Å; A1143-A1147 PolarHBondContact O-N 2.76Å
1144L90.8Very high87.3Confident1 Ų118.2 Ų18.21%0.00510%0.095CC..Hα-helixtrans-62.1-44.3175.7-178.362.4000111.6I147 F159 I1081 I1085 L1102 F1117 A1140 A1141 L1142 A1147 M1148I147-L1144 HydrophobicContact CG2-CD2 4.16Å; F159-L1144 HydrophobicContact CE2-CD1 4.41Å; F159-L1144 HydrophobicContact CZ-CD1 4.28Å; I1081-L1144 HydrophobicContact CG2-CD1 4.25Å; I1085-L1144 HydrophobicContact CD1-CB 4.12Å; I1085-L1144 HydrophobicContact CD1-CD1 3.71Å; L1102-L1144 HydrophobicContact CD1-CD1 4.02Å; L1102-L1144 HydrophobicContact CD2-CD1 4.39Å; F1117-L1144 HydrophobicContact CE1-CB 4.48Å; F1117-L1144 HydrophobicContact CE1-CD2 4.45Å; F1117-L1144 HydrophobicContact CZ-CB 4.39Å; A1140-L1144 PolarHBondContact O-N 3.08Å; A1141-L1144 PolarHBondContact O-N 3.11Å; L1142-L1144 PolarHBondContact O-N 3.47Å; L1144-A1147 PolarHBondContact O-N 2.68Å; L1144-M1148 HydrophobicContact CD1-CE 3.73Å; L1144-M1148 HydrophobicContact CD2-CE 4.1Å; L1144-M1148 HydrophobicContact CG-CE 3.77Å; L1144-M1148 HydrophobicContact CG-SD 4.25Å; L1144-M1148 WeakPolarHBondContact O-CG 3.47Å; L1144-M1148 PolarHBondContact O-N 3.07Å
1145L88.8Confident87.3Confident5 Ų517.2 Ų17.23%0.0268%0.083CC..Hα-helixtrans-61.9-46.5177.9-83.1171.8000112.6V139 I147 A1141 L1142 A1147 M1148 H1149 F1157V139-L1145 HydrophobicContact CG1-CD1 4.44Å; V139-L1145 HydrophobicContact CG2-CD1 3.53Å; V139-L1145 HydrophobicContact CG2-CD2 4.46Å; I147-L1145 HydrophobicContact CD1-CD1 3.78Å; I147-L1145 HydrophobicContact CD1-CD2 3.96Å; I147-L1145 HydrophobicContact CD1-CG 4.07Å; I147-L1145 HydrophobicContact CG2-CG 4.48Å; A1141-L1145 WeakPolarHBondContact O-CB 3.28Å; A1141-L1145 WeakPolarHBondContact O-CG 3.43Å; A1141-L1145 PolarHBondContact O-N 2.82Å; L1142-L1145 PolarHBondContact O-N 2.82Å; L1145-A1147 VanDerWaalsContact C-N 3.32Å; L1145-A1147 PolarHBondContact O-N 3.32Å; L1145-M1148 PolarHBondContact O-N 3.12Å; L1145-H1149 WeakPolarHBondContact O-CB 3.04Å; L1145-H1149 PolarHBondContact O-N 3.2Å; L1145-F1157 HydrophobicContact CB-CZ 4.15Å
1146F89.5Confident87.4Confident0 Ų017 Ų170%08%0.079CC..Hα-helixtrans-67.2-33.1176.7-76.5-63.2000112.1I1088 L1092 L1142 A1143 H1149 R1150 F1157 L1159 F1177 I1178 Y1181 I1188I1088-F1146 HydrophobicContact CD1-CB 4.24Å; I1088-F1146 HydrophobicContact CG2-CB 3.86Å; L1092-F1146 HydrophobicContact CD1-CD2 4.29Å; L1142-F1146 HydrophobicContact CB-CD2 4.39Å; L1142-F1146 HydrophobicContact CB-CE2 4.35Å; L1142-F1146 HydrophobicContact CD2-CE2 4.36Å; L1142-F1146 WeakPolarHBondContact O-CD2 3.34Å; L1142-F1146 PolarHBondContact O-N 3.06Å; A1143-F1146 PolarHBondContact O-N 3.33Å; F1146-H1149 PolarHBondContact O-N 3.16Å; F1146-R1150 WeakPolarHBondContact O-CB 3.48Å; F1146-R1150 PolarHBondContact O-N 2.98Å; F1146-F1157 HydrophobicContact CE1-CD1 4.12Å; F1146-F1157 HydrophobicContact CE1-CE1 4.01Å; F1146-F1157 HydrophobicContact CZ-CD1 4.37Å; F1146-F1157 HydrophobicContact CZ-CE1 4.1Å; F1146-L1159 HydrophobicContact CZ-CD1 4.5Å; F1146-F1177 HydrophobicContact CD1-CE1 4.29Å; F1146-F1177 HydrophobicContact CD2-CD1 4.49Å; F1146-F1177 AromaticContact CD2-CE1 3.65Å; F1146-F1177 HydrophobicContact CD2-CE1 3.65Å; F1146-F1177 HydrophobicContact CD2-CZ 4.44Å; F1146-F1177 HydrophobicContact CE1-CE1 4.37Å; F1146-F1177 HydrophobicContact CE2-CD1 4.22Å; F1146-F1177 AromaticContact CE2-CE1 3.76Å; F1146-F1177 HydrophobicContact CE2-CE1 3.76Å; F1146-F1177 AromaticContact CG-CE1 3.95Å; F1146-F1177 HydrophobicContact CG-CE1 3.95Å; F1146-F1177 HydrophobicContact CG-CZ 4.47Å; F1146-F1177 HydrophobicContact CZ-CE1 4.13Å; F1146-I1178 HydrophobicContact CZ-CG1 4.03Å; F1146-Y1181 HydrophobicContact CD1-CD1 4.21Å; F1146-Y1181 HydrophobicContact CD1-CD2 4.29Å; F1146-Y1181 AromaticContact CD1-CE1 3.95Å; F1146-Y1181 HydrophobicContact CD1-CE1 3.95Å; F1146-Y1181 HydrophobicContact CD1-CE2 4.05Å; F1146-Y1181 HydrophobicContact CD1-CG 4.36Å; F1146-Y1181 AromaticContact CD1-CZ 3.86Å; F1146-Y1181 HydrophobicContact CE1-CD1 4.03Å; F1146-Y1181 HydrophobicContact CE1-CE1 4.09Å; F1146-Y1181 HydrophobicContact CE1-CG 4.32Å; F1146-I1188 HydrophobicContact CE1-CD1 4.17Å; F1146-I1188 HydrophobicContact CZ-CD1 4.46Å
1147A90.4Very high87.4Confident0 Ų015.5 Ų15.50%07%0.072CC..Hα-helixtrans-65.9-41.7172.900000111.8I1081 N1084 I1085 I1088 A1143 L1144 L1145 R1150 Y1151I1081-A1147 HydrophobicContact CG2-CB 3.88Å; N1084-A1147 HydrophobicContact CB-CB 4.48Å; I1085-A1147 HydrophobicContact CB-CB 4.05Å; I1085-A1147 HydrophobicContact CG1-CB 4.38Å; I1088-A1147 HydrophobicContact CD1-CB 4.05Å; A1143-A1147 WeakPolarHBondContact O-CB 3.41Å; A1143-A1147 PolarHBondContact O-N 2.76Å; L1144-A1147 PolarHBondContact O-N 2.68Å; L1145-A1147 VanDerWaalsContact C-N 3.32Å; L1145-A1147 PolarHBondContact O-N 3.32Å; A1147-R1150 WeakPolarHBondContact O-CB 3.24Å; A1147-R1150 PolarHBondContact O-N 3.28Å; A1147-Y1151 PolarHBondContact O-N 3.1Å
1148M87.8Confident87.5Confident1 Ų114 Ų141%0.0057%0.066CC..Hα-helixtrans-64.3-41.8173.1-73.1172.3175.200112.4M158 F159 I162 I1081 L1144 L1145 R1150 Y1151 N1152M158-M1148 HydrophobicContact CG-CE 4.08Å; M158-M1148 HydrophobicContact CG-SD 4.38Å; M158-M1148 HydrophobicContact SD-CE 3.37Å; M158-M1148 WeakPolarHBondContact SD-CE 3.34Å; M158-M1148 HydrophobicContact SD-SD 3.58Å; F159-M1148 HydrophobicContact CD2-CE 3.88Å; F159-M1148 HydrophobicContact CE2-CE 3.38Å; F159-M1148 HydrophobicContact CZ-CE 3.91Å; I162-M1148 HydrophobicContact CD1-CB 4.11Å; I162-M1148 HydrophobicContact CD1-CE 3.95Å; I162-M1148 HydrophobicContact CD1-CG 3.71Å; I162-M1148 HydrophobicContact CD1-SD 3.47Å; I162-M1148 WeakPolarHBondContact CD1-SD 3.33Å; I1081-M1148 HydrophobicContact CD1-CG 3.84Å; I1081-M1148 HydrophobicContact CG1-CG 4.47Å; I1081-M1148 HydrophobicContact CG2-CG 4.47Å; L1144-M1148 HydrophobicContact CD1-CE 3.73Å; L1144-M1148 HydrophobicContact CD2-CE 4.1Å; L1144-M1148 HydrophobicContact CG-CE 3.77Å; L1144-M1148 HydrophobicContact CG-SD 4.25Å; L1144-M1148 WeakPolarHBondContact O-CG 3.47Å; L1144-M1148 PolarHBondContact O-N 3.07Å; L1145-M1148 PolarHBondContact O-N 3.12Å; M1148-R1150 PolarHBondContact O-N 2.78Å; M1148-Y1151 PolarHBondContact O-N 2.82Å; M1148-N1152 PolarHBondContact O-N 2.61Å
1149H85.6Confident87.6Confident2 Ų213.9 Ų13.91%0.0097%0.065CC..Hα-helixtrans-63.2-32.1174.7-170.2-71000111.7L1145 F1146 Y1151 N1152 P1153 S1154 F1157 Y1181L1145-H1149 WeakPolarHBondContact O-CB 3.04Å; L1145-H1149 PolarHBondContact O-N 3.2Å; F1146-H1149 PolarHBondContact O-N 3.16Å; H1149-Y1151 VanDerWaalsContact C-N 3.34Å; H1149-N1152 CarbonylContact O-C 3.58Å; H1149-P1153 WeakPolarHBondContact O-CA 3.26Å; H1149-P1153 VanDerWaalsContact O-N 3.13Å; H1149-S1154 PolarHBondContact CE1-N 3.47Å; H1149-S1154 PolarHBondContact CE1-O 3.44Å; H1149-S1154 PolarHBondContact NE2-N 2.95Å; H1149-S1154 PolarHBondContact NE2-O 3.1Å; H1149-F1157 HydrophobicContact CB-CE2 4.45Å; H1149-F1157 AromaticContact CD2-CD2 3.42Å; H1149-F1157 VanDerWaalsContact CD2-CD2 3.42Å; H1149-F1157 WeakPolarHBondContact CD2-CD2 3.37Å; H1149-F1157 AromaticContact CD2-CE2 3.78Å; H1149-Y1181 PolarHBondContact ND1-OH 2.82Å
1150R85.5Confident87.5Confident98 Ų9813.4 Ų13.437%0.376%0.062SC..Hα-helixtrans-69.2-33.2176-171.4169.9177.9175.3-3.4112.6N1084 F1146 A1147 M1148N1084-R1150 WeakPolarHBondContact OD1-CD 3.12Å; N1084-R1150 PolarHBondContact OD1-NE 3.34Å; N1084-R1150 VanDerWaalsContact OD1-NE 3.11Å; N1084-R1150 PolarHBondContact OD1-NH1 3.27Å; F1146-R1150 WeakPolarHBondContact O-CB 3.48Å; F1146-R1150 PolarHBondContact O-N 2.98Å; A1147-R1150 WeakPolarHBondContact O-CB 3.24Å; A1147-R1150 PolarHBondContact O-N 3.28Å; M1148-R1150 PolarHBondContact O-N 2.78Å
1151Y85.7Confident87.4Confident77 Ų7714.9 Ų14.930%0.3027%0.069SC..Hα-helixtrans-72-44.3173.8175.2-102.2000112.1I162 C1077 A1147 M1148 H1149I162-Y1151 HydrophobicContact CG2-CD1 3.66Å; I162-Y1151 HydrophobicContact CG2-CE1 3.97Å; C1077-Y1151 VanDerWaalsContact CA-CE2 3.49Å; C1077-Y1151 HydrophobicContact CB-CD1 4.38Å; C1077-Y1151 HydrophobicContact CB-CE1 3.79Å; C1077-Y1151 HydrophobicContact CB-CE2 4.02Å; C1077-Y1151 VanDerWaalsContact SG-CE1 3.55Å; A1147-Y1151 PolarHBondContact O-N 3.1Å; M1148-Y1151 PolarHBondContact O-N 2.82Å; H1149-Y1151 VanDerWaalsContact C-N 3.34Å
1152N80.8Confident87.3Confident20 Ų2015 Ų1511%0.1077%0.07CC..SBendtrans-124.386.5179-170.617.7000110.1F131 N136 M1148 H1149 S1154F131-N1152 WeakPolarHBondContact CD2-ND2 3.5Å; F131-N1152 WeakPolarHBondContact CE2-ND2 3.12Å; F131-N1152 VanDerWaalsContact CE2-OD1 3.29Å; F131-N1152 WeakPolarHBondContact CE2-OD1 3.4Å; N136-N1152 PolarHBondContact ND2-O 2.68Å; M1148-N1152 PolarHBondContact O-N 2.61Å; H1149-N1152 CarbonylContact O-C 3.58Å; N1152-S1154 PolarHBondContact O-N 2.83Å
1153P80Confident87.2Confident62 Ų6215.2 Ų15.240%0.4037%0.071SC..  trans-68.1115-17326.6-33.2000110.7H129 H1149H129-P1153 WeakPolarHBondContact CB-O 3.33Å; H1149-P1153 WeakPolarHBondContact O-CA 3.26Å; H1149-P1153 VanDerWaalsContact O-N 3.13Å
1154S82.2Confident86.8Confident2 Ų219.3 Ų19.31%0.01411%0.105CC..  trans-87147.9167.4-61.50000109.5H129 H1149 N1152 F1156H129-S1154 PolarHBondContact O-OG 2.79Å; H1149-S1154 PolarHBondContact CE1-N 3.47Å; H1149-S1154 PolarHBondContact CE1-O 3.44Å; H1149-S1154 PolarHBondContact NE2-N 2.95Å; H1149-S1154 PolarHBondContact NE2-O 3.1Å; N1152-S1154 PolarHBondContact O-N 2.83Å; S1154-F1156 PolarHBondContact O-N 3.26Å
1155P84.2Confident86.5Confident5 Ų521 Ų213%0.03212%0.119CC..SBendtrans-69.6-24.5-175.426.6-34.5000113Y88 I128 I130 Q1187Y88-P1155 HydrophobicContact CE2-CB 3.68Å; Y88-P1155 HydrophobicContact CE2-CG 3.71Å; Y88-P1155 WeakPolarHBondContact OH-CB 3.4Å; I128-P1155 WeakPolarHBondContact O-CD 3.28Å; I130-P1155 HydrophobicContact CD1-CG 3.89Å; I130-P1155 HydrophobicContact CG1-CG 3.95Å; P1155-Q1187 PolarHBondContact O-N 2.79Å; P1155-Q1187 VanDerWaalsContact O-N 3.09Å
1156F88.1Confident86.4Confident6 Ų621.3 Ų21.33%0.02612%0.121CC..EExtended strand (participates in β ladder)trans-142.7157.5174.261.8-92.9000111.9L8 I49 L53 I130 F137 S1154 V1158 Q1187L8-F1156 HydrophobicContact CB-CD1 3.91Å; L8-F1156 HydrophobicContact CB-CE1 4.27Å; L8-F1156 HydrophobicContact CB-CG 4.29Å; L8-F1156 HydrophobicContact CD2-CE2 4.5Å; L8-F1156 HydrophobicContact CD2-CZ 4.5Å; I49-F1156 HydrophobicContact CG2-CE2 4.31Å; L53-F1156 HydrophobicContact CD1-CE2 4.01Å; L53-F1156 HydrophobicContact CD1-CZ 3.76Å; L53-F1156 HydrophobicContact CD2-CZ 4.38Å; I130-F1156 HydrophobicContact CD1-CD1 4.42Å; I130-F1156 HydrophobicContact CD1-CE1 3.47Å; I130-F1156 VanDerWaalsContact CD1-CE1 3.47Å; I130-F1156 HydrophobicContact CD1-CZ 3.79Å; F137-F1156 HydrophobicContact CD2-CE2 4.22Å; F137-F1156 HydrophobicContact CE2-CE2 4.3Å; S1154-F1156 PolarHBondContact O-N 3.26Å; F1156-V1158 HydrophobicContact CD2-CG2 3.81Å; F1156-V1158 HydrophobicContact CE2-CG2 4.09Å; F1156-Q1187 CarbonylContact C-O 3.56Å; F1156-Q1187 WeakPolarHBondContact CA-O 3.46Å; F1156-Q1187 HydrophobicContact CB-CB 3.91Å; F1156-Q1187 HydrophobicContact CB-CG 4.36Å
1157F89.1Confident86.3Confident0 Ų025.1 Ų25.10%014%0.141CC..EExtended strand (participates in β ladder)trans-130.7127.8-177-156.7-112.8000109.9N136 F137 V139 L1145 F1146 H1149 L1159 Q1187 I1188 I1189N136-F1157 WeakPolarHBondContact O-CE2 3.43Å; F137-F1157 VanDerWaalsContact CA-CD2 3.5Å; F137-F1157 HydrophobicContact CB-CD2 3.84Å; F137-F1157 HydrophobicContact CB-CE2 4.3Å; V139-F1157 HydrophobicContact CG2-CZ 4.4Å; L1145-F1157 HydrophobicContact CB-CZ 4.15Å; F1146-F1157 HydrophobicContact CE1-CD1 4.12Å; F1146-F1157 HydrophobicContact CE1-CE1 4.01Å; F1146-F1157 HydrophobicContact CZ-CD1 4.37Å; F1146-F1157 HydrophobicContact CZ-CE1 4.1Å; H1149-F1157 HydrophobicContact CB-CE2 4.45Å; H1149-F1157 AromaticContact CD2-CD2 3.42Å; H1149-F1157 VanDerWaalsContact CD2-CD2 3.42Å; H1149-F1157 WeakPolarHBondContact CD2-CD2 3.37Å; H1149-F1157 AromaticContact CD2-CE2 3.78Å; F1157-L1159 HydrophobicContact CD1-CD1 3.81Å; F1157-L1159 HydrophobicContact CD1-CD2 3.74Å; F1157-L1159 HydrophobicContact CD1-CG 3.67Å; F1157-L1159 HydrophobicContact CE1-CD1 3.9Å; F1157-L1159 HydrophobicContact CE1-CD2 3.29Å; F1157-L1159 HydrophobicContact CE1-CG 3.76Å; F1157-L1159 HydrophobicContact CZ-CD2 4.19Å; F1157-Q1187 PolarHBondContact N-O 3.33Å; F1157-I1188 HydrophobicContact CB-CG1 4.23Å; F1157-I1188 WeakPolarHBondContact O-CA 3.27Å; F1157-I1189 PolarHBondContact O-N 2.76Å
1158V89.6Confident86Confident1 Ų129 Ų291%0.00616%0.162CC..EExtended strand (participates in β ladder)trans-118.9121.1-175.3-169.80000110.6I49 F137 L138 V139 F1156 I1189I49-V1158 HydrophobicContact CD1-CG1 4.23Å; I49-V1158 HydrophobicContact CD1-CG2 4.27Å; I49-V1158 HydrophobicContact CG2-CG2 4.42Å; F137-V1158 PolarHBondContact O-N 3.39Å; L138-V1158 HydrophobicContact CD2-CB 3.93Å; L138-V1158 HydrophobicContact CD2-CG1 4.49Å; L138-V1158 HydrophobicContact CD2-CG2 4.21Å; V139-V1158 PolarHBondContact N-O 3Å; F1156-V1158 HydrophobicContact CD2-CG2 3.81Å; F1156-V1158 HydrophobicContact CE2-CG2 4.09Å; V1158-I1189 VanDerWaalsContact CA-O 3.3Å; V1158-I1189 WeakPolarHBondContact CA-O 3.27Å; V1158-I1189 HydrophobicContact CG2-CB 4.39Å
1159L89.9Confident85.9Confident0 Ų033.7 Ų33.70%019%0.191CC..EExtended strand (participates in β ladder)trans-120.2121.4-174-64.9174000110.3V139 L1142 F1146 F1157 I1162 I1178 I1188 I1189 V1190 I1191V139-L1159 HydrophobicContact CB-CD2 3.77Å; V139-L1159 HydrophobicContact CG2-CD2 3.54Å; L1142-L1159 HydrophobicContact CD2-CD2 4.43Å; F1146-L1159 HydrophobicContact CZ-CD1 4.5Å; F1157-L1159 HydrophobicContact CD1-CD1 3.81Å; F1157-L1159 HydrophobicContact CD1-CD2 3.74Å; F1157-L1159 HydrophobicContact CD1-CG 3.67Å; F1157-L1159 HydrophobicContact CE1-CD1 3.9Å; F1157-L1159 HydrophobicContact CE1-CD2 3.29Å; F1157-L1159 HydrophobicContact CE1-CG 3.76Å; F1157-L1159 HydrophobicContact CZ-CD2 4.19Å; L1159-I1162 HydrophobicContact CB-CD1 4.13Å; L1159-I1162 HydrophobicContact CB-CG2 3.8Å; L1159-I1162 HydrophobicContact CD1-CD1 3.7Å; L1159-I1162 HydrophobicContact CD2-CG2 4.07Å; L1159-I1162 HydrophobicContact CG-CD1 4.36Å; L1159-I1162 HydrophobicContact CG-CG2 4.42Å; L1159-I1178 HydrophobicContact CD1-CD1 3.91Å; L1159-I1188 HydrophobicContact CD1-CG2 4.25Å; L1159-I1189 PolarHBondContact N-O 3.44Å; L1159-V1190 HydrophobicContact CB-CB 4.48Å; L1159-V1190 HydrophobicContact CB-CG1 4.15Å; L1159-V1190 HydrophobicContact CB-CG2 4.07Å; L1159-V1190 HydrophobicContact CD1-CG2 4.18Å; L1159-V1190 CarbonylContact O-C 3.58Å; L1159-V1190 WeakPolarHBondContact O-CA 3.2Å; L1159-I1191 PolarHBondContact O-N 2.7Å
1160D89.4Confident85.9Confident1 Ų135.2 Ų35.21%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-109.1114-179.5-168.627.2000111.3M46 V139 I1162 I1191M46-D1160 HydrophobicContact CE-CB 4.14Å; M46-D1160 HydrophobicContact SD-CB 3.45Å; M46-D1160 WeakPolarHBondContact SD-CB 3.44Å; V139-D1160 WeakPolarHBondContact O-CB 3.39Å; V139-D1160 PolarHBondContact O-N 3.48Å; D1160-I1162 VanDerWaalsContact C-N 3.3Å; D1160-I1162 PolarHBondContact O-N 3.17Å; D1160-I1191 HydrophobicContact CB-CD1 4.3Å; D1160-I1191 WeakPolarHBondContact OD1-CB 3.36Å; D1160-I1191 WeakPolarHBondContact OD1-CD1 3.12Å; D1160-I1191 WeakPolarHBondContact OD1-CG2 3.19Å
1161E87.5Confident86.1Confident31 Ų3130.6 Ų30.615%0.14518%0.182CC..SBendtrans50.941.5174-63-174.9-177.200114.7Q141 D1163 A1164 I1191Q141-E1161 VanDerWaalsContact CD-OE2 3.28Å; Q141-E1161 HydrophobicContact CG-CB 4.32Å; Q141-E1161 PolarHBondContact NE2-OE2 3.08Å; E1161-D1163 VanDerWaalsContact C-OD1 3.3Å; E1161-D1163 WeakPolarHBondContact CA-OD1 3.5Å; E1161-D1163 PolarHBondContact O-N 2.88Å; E1161-A1164 PolarHBondContact O-N 2.78Å; E1161-I1191 WeakPolarHBondContact CA-O 3.08Å; E1161-I1191 PolarHBondContact N-O 2.96Å
1162I88.5Confident86.2Confident3 Ų328 Ų282%0.01518%0.178CC..THydrogen-bonded Turntrans-68.3-13.4178.869.6177.5000113.4V144 T1138 L1142 L1159 D1160 A1164 V1174 I1178 F1197V144-I1162 HydrophobicContact CG2-CB 4.11Å; V144-I1162 HydrophobicContact CG2-CG2 3.6Å; T1138-I1162 WeakPolarHBondContact CG2-O 3.33Å; L1142-I1162 HydrophobicContact CD1-CD1 4.28Å; L1142-I1162 HydrophobicContact CD2-CD1 4.18Å; L1159-I1162 HydrophobicContact CB-CD1 4.13Å; L1159-I1162 HydrophobicContact CB-CG2 3.8Å; L1159-I1162 HydrophobicContact CD1-CD1 3.7Å; L1159-I1162 HydrophobicContact CD2-CG2 4.07Å; L1159-I1162 HydrophobicContact CG-CD1 4.36Å; L1159-I1162 HydrophobicContact CG-CG2 4.42Å; D1160-I1162 VanDerWaalsContact C-N 3.3Å; D1160-I1162 PolarHBondContact O-N 3.17Å; I1162-A1164 VanDerWaalsContact C-N 3.35Å; I1162-V1174 HydrophobicContact CD1-CG1 4.48Å; I1162-I1178 HydrophobicContact CD1-CD1 4.08Å; I1162-F1197 HydrophobicContact CD1-CE2 3.88Å; I1162-F1197 HydrophobicContact CD1-CZ 3.91Å; I1162-F1197 HydrophobicContact CG1-CE2 4.13Å; I1162-F1197 HydrophobicContact CG1-CZ 4.42Å
1163D87.1Confident86.6Confident5 Ų530 Ų303%0.02719%0.186CC..THydrogen-bonded Turntrans-84.9-4.8-178.556.3-26.1000113.2E1161 A1165 L1166 I1171 S1192 K1194 F1197E1161-D1163 VanDerWaalsContact C-OD1 3.3Å; E1161-D1163 WeakPolarHBondContact CA-OD1 3.5Å; E1161-D1163 PolarHBondContact O-N 2.88Å; D1163-A1165 VanDerWaalsContact C-N 3.32Å; D1163-A1165 PolarHBondContact O-N 2.82Å; D1163-L1166 PolarHBondContact O-N 2.89Å; D1163-I1171 HydrophobicContact CB-CD1 4.14Å; D1163-I1171 HydrophobicContact CB-CG1 4.18Å; D1163-S1192 WeakPolarHBondContact OD2-CB 3.29Å; D1163-S1192 PolarHBondContact OD2-OG 3.35Å; D1163-K1194 HydrophobicContact CB-CG 4.14Å; D1163-K1194 VanDerWaalsContact OD2-CB 3.28Å; D1163-K1194 WeakPolarHBondContact OD2-CB 3.17Å; D1163-K1194 WeakPolarHBondContact OD2-CG 3.19Å; D1163-K1194 PolarHBondContact OD2-N 3.18Å; D1163-F1197 HydrophobicContact CB-CD2 4.43Å
1164A83.3Confident87.1Confident85 Ų8527.1 Ų27.170%0.70217%0.167SC*.THydrogen-bonded Turntrans-58.7-37.9-175.100000114.2E1161 I1162E1161-A1164 PolarHBondContact O-N 2.78Å; I1162-A1164 VanDerWaalsContact C-N 3.35Å
1165A83.2Confident87.4Confident38 Ų3827 Ų2731%0.31417%0.166SC..THydrogen-bonded Turntrans-103.44.3-178.400000113.6E145 G1135 D1163E145-A1165 WeakPolarHBondContact OE1-CB 3.3Å; G1135-A1165 VanDerWaalsContact CA-O 3.26Å; G1135-A1165 WeakPolarHBondContact CA-O 3.16Å; D1163-A1165 VanDerWaalsContact C-N 3.32Å; D1163-A1165 PolarHBondContact O-N 2.82Å
1166L86.7Confident87.6Confident11 Ų1127.4 Ų27.46%0.05817%0.169CC..  trans-98.3139.6-177.8-63.3176.6000110.8T1138 I1139 D1163 N1170 I1171 V1174T1138-L1166 HydrophobicContact CG2-CD1 4.19Å; T1138-L1166 HydrophobicContact CG2-CD2 4.05Å; T1138-L1166 HydrophobicContact CG2-CG 4.04Å; I1139-L1166 HydrophobicContact CD1-CD2 4.28Å; I1139-L1166 HydrophobicContact CG1-CD2 3.93Å; D1163-L1166 PolarHBondContact O-N 2.89Å; L1166-N1170 HydrophobicContact CD2-CB 4.25Å; L1166-I1171 HydrophobicContact CB-CD1 4.28Å; L1166-I1171 HydrophobicContact CB-CG1 3.59Å; L1166-I1171 HydrophobicContact CD1-CG1 4.47Å; L1166-I1171 WeakPolarHBondContact O-CD1 3.49Å; L1166-V1174 HydrophobicContact CD1-CG2 4.12Å
1167D87.5Confident87.7Confident79 Ų7927.8 Ų27.842%0.42217%0.171SC..  trans-76162.6167.960.931.1000111.1T1169 N1170 I1171D1167-T1169 PolarHBondContact O-N 3.05Å; D1167-T1169 VanDerWaalsContact O-N 3.14Å; D1167-T1169 PolarHBondContact OD1-N 2.87Å; D1167-T1169 PolarHBondContact OD1-OG1 2.91Å; D1167-T1169 PolarHBondContact OD2-OG1 2.8Å; D1167-N1170 VanDerWaalsContact CG-ND2 3.34Å; D1167-N1170 PolarHBondContact O-N 2.85Å; D1167-N1170 VanDerWaalsContact O-N 3.13Å; D1167-N1170 WeakPolarHBondContact OD1-CB 3.38Å; D1167-N1170 PolarHBondContact OD1-N 2.74Å; D1167-N1170 PolarHBondContact OD1-ND2 3.43Å; D1167-N1170 PolarHBondContact OD2-ND2 2.91Å; D1167-N1170 VanDerWaalsContact OD2-ND2 3.14Å; D1167-I1171 WeakPolarHBondContact O-CB 3.4Å; D1167-I1171 VanDerWaalsContact O-CG1 3.26Å; D1167-I1171 WeakPolarHBondContact O-CG1 3.41Å; D1167-I1171 PolarHBondContact O-N 2.88Å
1168N85.2Confident87.8Confident82 Ų8227.8 Ų27.844%0.43917%0.171SC..Hα-helixtrans-57.4-33-177-71.49.3000112.7G1172 E1196N1168-G1172 PolarHBondContact O-N 3.02Å; N1168-G1172 VanDerWaalsContact O-N 3.09Å; N1168-E1196 HydrophobicContact CB-CG 4.46Å; N1168-E1196 PolarHBondContact ND2-OE1 2.89Å
1169T84.6Confident87.7Confident99 Ų9933 Ų3361%0.60719%0.19SC*.Hα-helixtrans-65.7-46.9176.331.50000112.9D1167 G1172 K1173D1167-T1169 PolarHBondContact O-N 3.05Å; D1167-T1169 VanDerWaalsContact O-N 3.14Å; D1167-T1169 PolarHBondContact OD1-N 2.87Å; D1167-T1169 PolarHBondContact OD1-OG1 2.91Å; D1167-T1169 PolarHBondContact OD2-OG1 2.8Å; T1169-G1172 PolarHBondContact O-N 2.81Å; T1169-K1173 WeakPolarHBondContact O-CG 3.49Å; T1169-K1173 PolarHBondContact O-N 2.83Å
1170N86.8Confident87.6Confident35 Ų3538 Ų3819%0.18721%0.214CC..Hα-helixtrans-75.3-32.3179.2-69.3-45.6000111.3I1139 L1166 D1167 G1172 K1173 V1174I1139-N1170 HydrophobicContact CD1-CB 4.31Å; L1166-N1170 HydrophobicContact CD2-CB 4.25Å; D1167-N1170 VanDerWaalsContact CG-ND2 3.34Å; D1167-N1170 PolarHBondContact O-N 2.85Å; D1167-N1170 VanDerWaalsContact O-N 3.13Å; D1167-N1170 WeakPolarHBondContact OD1-CB 3.38Å; D1167-N1170 PolarHBondContact OD1-N 2.74Å; D1167-N1170 PolarHBondContact OD1-ND2 3.43Å; D1167-N1170 PolarHBondContact OD2-ND2 2.91Å; D1167-N1170 VanDerWaalsContact OD2-ND2 3.14Å; N1170-G1172 VanDerWaalsContact C-N 3.35Å; N1170-G1172 PolarHBondContact O-N 2.81Å; N1170-K1173 PolarHBondContact O-N 2.91Å; N1170-V1174 WeakPolarHBondContact O-CB 3.5Å; N1170-V1174 VanDerWaalsContact O-CG2 3.3Å; N1170-V1174 WeakPolarHBondContact O-CG2 3.38Å; N1170-V1174 PolarHBondContact O-N 2.96Å
1171I89.5Confident87.5Confident0 Ų038.7 Ų38.70%022%0.217CC..Hα-helixtrans-55.1-50.6169.8-73167.3000110.1D1163 L1166 D1167 K1173 V1174 A1175 K1194 E1196 F1197D1163-I1171 HydrophobicContact CB-CD1 4.14Å; D1163-I1171 HydrophobicContact CB-CG1 4.18Å; L1166-I1171 HydrophobicContact CB-CD1 4.28Å; L1166-I1171 HydrophobicContact CB-CG1 3.59Å; L1166-I1171 HydrophobicContact CD1-CG1 4.47Å; L1166-I1171 WeakPolarHBondContact O-CD1 3.49Å; D1167-I1171 WeakPolarHBondContact O-CB 3.4Å; D1167-I1171 VanDerWaalsContact O-CG1 3.26Å; D1167-I1171 WeakPolarHBondContact O-CG1 3.41Å; D1167-I1171 PolarHBondContact O-N 2.88Å; I1171-K1173 VanDerWaalsContact C-N 3.31Å; I1171-K1173 PolarHBondContact O-N 2.91Å; I1171-V1174 PolarHBondContact O-N 2.6Å; I1171-A1175 VanDerWaalsContact O-CB 3.25Å; I1171-A1175 WeakPolarHBondContact O-CB 3.31Å; I1171-A1175 PolarHBondContact O-N 2.96Å; I1171-K1194 HydrophobicContact CD1-CB 4.19Å; I1171-K1194 HydrophobicContact CD1-CD 4.15Å; I1171-K1194 HydrophobicContact CD1-CG 3.87Å; I1171-E1196 HydrophobicContact CG2-CB 3.77Å; I1171-F1197 HydrophobicContact CG2-CB 3.79Å; I1171-F1197 HydrophobicContact CG2-CD2 4.04Å; I1171-F1197 HydrophobicContact CG2-CG 4.41Å
1172G87.3Confident87.4Confident22 Ų2237.3 Ų37.323%0.22721%0.21CC..Hα-helixtrans-59.7-39.1179.200000113.3N1168 T1169 N1170 S1176N1168-G1172 PolarHBondContact O-N 3.02Å; N1168-G1172 VanDerWaalsContact O-N 3.09Å; T1169-G1172 PolarHBondContact O-N 2.81Å; N1170-G1172 VanDerWaalsContact C-N 3.35Å; N1170-G1172 PolarHBondContact O-N 2.81Å; G1172-S1176 WeakPolarHBondContact O-CB 3.34Å; G1172-S1176 PolarHBondContact O-N 3.09Å; G1172-S1176 PolarHBondContact O-OG 3.17Å
1173K88.8Confident87Confident64 Ų6440.6 Ų40.628%0.27823%0.233SC..Hα-helixtrans-65.9-48.2175.9-63.2173.6-176.8177.30112S1093 R1094 T1169 N1170 I1171 S1176 F1177S1093-K1173 WeakPolarHBondContact O-CD 3.28Å; S1093-K1173 PolarHBondContact O-NZ 3.47Å; R1094-K1173 HydrophobicContact CB-CD 4.27Å; R1094-K1173 HydrophobicContact CB-CG 4.4Å; R1094-K1173 HydrophobicContact CG-CB 4.3Å; R1094-K1173 HydrophobicContact CG-CG 4.32Å; T1169-K1173 WeakPolarHBondContact O-CG 3.49Å; T1169-K1173 PolarHBondContact O-N 2.83Å; N1170-K1173 PolarHBondContact O-N 2.91Å; I1171-K1173 VanDerWaalsContact C-N 3.31Å; I1171-K1173 PolarHBondContact O-N 2.91Å; K1173-S1176 PolarHBondContact O-N 2.83Å; K1173-F1177 PolarHBondContact O-N 3.06Å
1174V90.5Very high86.6Confident0 Ų042.9 Ų42.90%025%0.253CS..Hα-helixtrans-64.2-44.1179.5172.10000110.8L1092 L1142 I1162 L1166 N1170 I1171 S1176 F1177 I1178 F1197L1092-V1174 HydrophobicContact CD2-CG2 4.35Å; L1142-V1174 HydrophobicContact CD1-CG1 3.98Å; I1162-V1174 HydrophobicContact CD1-CG1 4.48Å; L1166-V1174 HydrophobicContact CD1-CG2 4.12Å; N1170-V1174 WeakPolarHBondContact O-CB 3.5Å; N1170-V1174 VanDerWaalsContact O-CG2 3.3Å; N1170-V1174 WeakPolarHBondContact O-CG2 3.38Å; N1170-V1174 PolarHBondContact O-N 2.96Å; I1171-V1174 PolarHBondContact O-N 2.6Å; V1174-S1176 VanDerWaalsContact C-N 3.31Å; V1174-S1176 PolarHBondContact O-N 2.73Å; V1174-F1177 PolarHBondContact O-N 3.42Å; V1174-I1178 HydrophobicContact CG1-CD1 3.81Å; V1174-I1178 HydrophobicContact CG1-CG1 4.47Å; V1174-I1178 WeakPolarHBondContact O-CB 3.43Å; V1174-I1178 WeakPolarHBondContact O-CG1 3.4Å; V1174-I1178 PolarHBondContact O-N 2.71Å; V1174-F1197 HydrophobicContact CG1-CE2 4.13Å
1175A89Confident86.4Confident0 Ų043.3 Ų43.30%024%0.236CC..Hα-helixtrans-61.5-40.3177.200000111.8I1171 I1178 R1179 F1197 R1200I1171-A1175 VanDerWaalsContact O-CB 3.25Å; I1171-A1175 WeakPolarHBondContact O-CB 3.31Å; I1171-A1175 PolarHBondContact O-N 2.96Å; A1175-I1178 PolarHBondContact O-N 3.1Å; A1175-R1179 PolarHBondContact O-N 2.87Å; A1175-F1197 HydrophobicContact CB-CD2 4.24Å; A1175-F1197 HydrophobicContact CB-CG 4.35Å; A1175-R1200 HydrophobicContact CB-CB 4.31Å; A1175-R1200 HydrophobicContact CB-CG 4.19Å
1176S87.6Confident86.5Confident13 Ų1341.5 Ų41.59%0.09122%0.222CC..Hα-helixtrans-66.6-44.5176.3-54.10000112R1094 G1172 K1173 V1174 I1178 R1179 E1180R1094-S1176 VanDerWaalsContact CZ-CB 3.48Å; G1172-S1176 WeakPolarHBondContact O-CB 3.34Å; G1172-S1176 PolarHBondContact O-N 3.09Å; G1172-S1176 PolarHBondContact O-OG 3.17Å; K1173-S1176 PolarHBondContact O-N 2.83Å; V1174-S1176 VanDerWaalsContact C-N 3.31Å; V1174-S1176 PolarHBondContact O-N 2.73Å; S1176-I1178 VanDerWaalsContact C-N 3.32Å; S1176-I1178 PolarHBondContact O-N 3.03Å; S1176-R1179 PolarHBondContact O-N 2.88Å; S1176-E1180 WeakPolarHBondContact O-CG 3.43Å; S1176-E1180 PolarHBondContact O-N 3.22Å
1177F90.7Very high86.7Confident14 Ų1441 Ų416%0.06122%0.219CC..Hα-helixtrans-59.7-42.7173.9174-91000111.9I1088 L1092 F1146 K1173 V1174 R1179 E1180 Y1181I1088-F1177 HydrophobicContact CG2-CZ 4.03Å; L1092-F1177 HydrophobicContact CD2-CB 4.05Å; L1092-F1177 HydrophobicContact CD2-CD1 3.3Å; L1092-F1177 HydrophobicContact CD2-CD2 4.4Å; L1092-F1177 HydrophobicContact CD2-CE1 3.81Å; L1092-F1177 HydrophobicContact CD2-CG 3.64Å; L1092-F1177 HydrophobicContact CG-CD1 3.89Å; L1092-F1177 HydrophobicContact CG-CD2 4.3Å; L1092-F1177 HydrophobicContact CG-CE1 4.03Å; L1092-F1177 HydrophobicContact CG-CE2 4.41Å; L1092-F1177 HydrophobicContact CG-CG 4.03Å; L1092-F1177 HydrophobicContact CG-CZ 4.28Å; F1146-F1177 HydrophobicContact CD1-CE1 4.29Å; F1146-F1177 HydrophobicContact CD2-CD1 4.49Å; F1146-F1177 AromaticContact CD2-CE1 3.65Å; F1146-F1177 HydrophobicContact CD2-CE1 3.65Å; F1146-F1177 HydrophobicContact CD2-CZ 4.44Å; F1146-F1177 HydrophobicContact CE1-CE1 4.37Å; F1146-F1177 HydrophobicContact CE2-CD1 4.22Å; F1146-F1177 AromaticContact CE2-CE1 3.76Å; F1146-F1177 HydrophobicContact CE2-CE1 3.76Å; F1146-F1177 AromaticContact CG-CE1 3.95Å; F1146-F1177 HydrophobicContact CG-CE1 3.95Å; F1146-F1177 HydrophobicContact CG-CZ 4.47Å; F1146-F1177 HydrophobicContact CZ-CE1 4.13Å; K1173-F1177 PolarHBondContact O-N 3.06Å; V1174-F1177 PolarHBondContact O-N 3.42Å; F1177-R1179 VanDerWaalsContact C-N 3.35Å; F1177-R1179 PolarHBondContact O-N 3.1Å; F1177-E1180 PolarHBondContact O-N 3.06Å; F1177-Y1181 HydrophobicContact CE1-CD2 4.24Å; F1177-Y1181 HydrophobicContact CE1-CG 4.44Å; F1177-Y1181 AromaticContact CZ-CD2 3.98Å; F1177-Y1181 HydrophobicContact CZ-CD2 3.98Å; F1177-Y1181 VanDerWaalsContact O-CB 3.28Å; F1177-Y1181 WeakPolarHBondContact O-CB 3.35Å; F1177-Y1181 PolarHBondContact O-N 2.78Å
1178I90.7Very high86.9Confident0 Ų037.2 Ų37.20%020%0.199CC..Hα-helixtrans-62.4-42.8178-80.1172.1000111F31 F1146 L1159 I1162 V1174 A1175 S1176 Y1181 A1182 I1188 F1197F31-I1178 HydrophobicContact CD1-CG2 4.36Å; F31-I1178 HydrophobicContact CD2-CG2 4.01Å; F31-I1178 HydrophobicContact CE1-CG2 4.12Å; F31-I1178 HydrophobicContact CE2-CG2 3.78Å; F31-I1178 HydrophobicContact CG-CG2 4.33Å; F31-I1178 HydrophobicContact CZ-CG2 3.84Å; F1146-I1178 HydrophobicContact CZ-CG1 4.03Å; L1159-I1178 HydrophobicContact CD1-CD1 3.91Å; I1162-I1178 HydrophobicContact CD1-CD1 4.08Å; V1174-I1178 HydrophobicContact CG1-CD1 3.81Å; V1174-I1178 HydrophobicContact CG1-CG1 4.47Å; V1174-I1178 WeakPolarHBondContact O-CB 3.43Å; V1174-I1178 WeakPolarHBondContact O-CG1 3.4Å; V1174-I1178 PolarHBondContact O-N 2.71Å; A1175-I1178 PolarHBondContact O-N 3.1Å; S1176-I1178 VanDerWaalsContact C-N 3.32Å; S1176-I1178 PolarHBondContact O-N 3.03Å; I1178-Y1181 PolarHBondContact O-N 3.23Å; I1178-A1182 WeakPolarHBondContact O-CB 3.38Å; I1178-A1182 PolarHBondContact O-N 2.85Å; I1178-I1188 HydrophobicContact CB-CD1 4.41Å; I1178-I1188 HydrophobicContact CG1-CD1 4.43Å; I1178-I1188 HydrophobicContact CG2-CB 4.22Å; I1178-I1188 HydrophobicContact CG2-CD1 3.83Å; I1178-I1188 HydrophobicContact CG2-CG2 3.86Å; I1178-F1197 HydrophobicContact CD1-CE2 4.1Å; I1178-F1197 HydrophobicContact CD1-CZ 3.5Å
1179R88.2Confident87.2Confident111 Ų11133.3 Ų33.342%0.41918%0.178SC..Hα-helixtrans-61.5-46.5176.1-171.2-179.9-173.6-174.83.3111.7F31 A1175 S1176 F1177 A1182 S1183 R1200F31-R1179 HydrophobicContact CD1-CB 4.14Å; F31-R1179 HydrophobicContact CD1-CG 4.37Å; F31-R1179 HydrophobicContact CE1-CB 4.48Å; A1175-R1179 PolarHBondContact O-N 2.87Å; S1176-R1179 PolarHBondContact O-N 2.88Å; F1177-R1179 VanDerWaalsContact C-N 3.35Å; F1177-R1179 PolarHBondContact O-N 3.1Å; R1179-A1182 PolarHBondContact O-N 3.4Å; R1179-S1183 WeakPolarHBondContact O-CB 3.27Å; R1179-S1183 PolarHBondContact O-N 2.81Å; R1179-S1183 PolarHBondContact O-OG 2.8Å; R1179-R1200 WeakPolarHBondContact CD-O 3.45Å
1180E87.2Confident87.6Confident106 Ų10628.6 Ų28.650%0.49515%0.149SC..Hα-helixtrans-60.4-50176.1-70.8167.7-147.600111R1094 S1176 F1177 A1182 S1183 A1184R1094-E1180 IonicContact NH2-OE1 2.73Å; R1094-E1180 PolarHBondContact NH2-OE1 3.23Å; S1176-E1180 WeakPolarHBondContact O-CG 3.43Å; S1176-E1180 PolarHBondContact O-N 3.22Å; F1177-E1180 PolarHBondContact O-N 3.06Å; E1180-A1182 VanDerWaalsContact C-N 3.34Å; E1180-A1182 PolarHBondContact O-N 3.32Å; E1180-S1183 PolarHBondContact O-N 2.87Å; E1180-S1183 PolarHBondContact O-OG 2.82Å; E1180-A1184 PolarHBondContact O-N 2.84Å
1181Y87.4Confident87.8Confident15 Ų1527 Ų276%0.05914%0.14CC..Hα-helixtrans-62.1-41.4178.9-169.5-83.7000112F1146 H1149 F1177 I1178 A1184 R1185 A1186 I1188F1146-Y1181 HydrophobicContact CD1-CD1 4.21Å; F1146-Y1181 HydrophobicContact CD1-CD2 4.29Å; F1146-Y1181 AromaticContact CD1-CE1 3.95Å; F1146-Y1181 HydrophobicContact CD1-CE1 3.95Å; F1146-Y1181 HydrophobicContact CD1-CE2 4.05Å; F1146-Y1181 HydrophobicContact CD1-CG 4.36Å; F1146-Y1181 AromaticContact CD1-CZ 3.86Å; F1146-Y1181 HydrophobicContact CE1-CD1 4.03Å; F1146-Y1181 HydrophobicContact CE1-CE1 4.09Å; F1146-Y1181 HydrophobicContact CE1-CG 4.32Å; H1149-Y1181 PolarHBondContact ND1-OH 2.82Å; F1177-Y1181 HydrophobicContact CE1-CD2 4.24Å; F1177-Y1181 HydrophobicContact CE1-CG 4.44Å; F1177-Y1181 AromaticContact CZ-CD2 3.98Å; F1177-Y1181 HydrophobicContact CZ-CD2 3.98Å; F1177-Y1181 VanDerWaalsContact O-CB 3.28Å; F1177-Y1181 WeakPolarHBondContact O-CB 3.35Å; F1177-Y1181 PolarHBondContact O-N 2.78Å; I1178-Y1181 PolarHBondContact O-N 3.23Å; Y1181-A1184 PolarHBondContact O-N 3.03Å; Y1181-R1185 HydrophobicContact CD1-CB 4.45Å; Y1181-R1185 HydrophobicContact CE1-CB 4.13Å; Y1181-R1185 PolarHBondContact O-N 3.35Å; Y1181-A1186 HydrophobicContact CE1-CB 4.29Å; Y1181-I1188 HydrophobicContact CD1-CD1 3.88Å
1182A84.9Confident87.8Confident1 Ų127 Ų271%0.00814%0.14CC..Hα-helixtrans-64.7-44.6-179.400000111.5V30 F31 I1178 R1179 E1180 A1184 A1186 I1188V30-A1182 VanDerWaalsContact CG1-C 3.43Å; V30-A1182 HydrophobicContact CG1-CB 3.94Å; V30-A1182 WeakPolarHBondContact CG1-O 3.4Å; F31-A1182 HydrophobicContact CB-CB 4.1Å; I1178-A1182 WeakPolarHBondContact O-CB 3.38Å; I1178-A1182 PolarHBondContact O-N 2.85Å; R1179-A1182 PolarHBondContact O-N 3.4Å; E1180-A1182 VanDerWaalsContact C-N 3.34Å; E1180-A1182 PolarHBondContact O-N 3.32Å; A1182-A1184 PolarHBondContact O-N 2.96Å; A1182-A1186 CarbonylContact C-O 3.38Å; A1182-A1186 WeakPolarHBondContact CA-O 3.32Å; A1182-A1186 VanDerWaalsContact O-O 3.12Å; A1182-I1188 HydrophobicContact CB-CB 4.2Å; A1182-I1188 HydrophobicContact CB-CD1 4.03Å; A1182-I1188 HydrophobicContact CB-CG1 3.89Å
1183S80.7Confident87.8Confident72 Ų7229.5 Ų29.550%0.50315%0.148SC..Hα-helixtrans-59.9-34.8177.772.90000112.6M1 R1179 E1180M1-S1183 PolarHBondContact N-O 3.07Å; R1179-S1183 WeakPolarHBondContact O-CB 3.27Å; R1179-S1183 PolarHBondContact O-N 2.81Å; R1179-S1183 PolarHBondContact O-OG 2.8Å; E1180-S1183 PolarHBondContact O-N 2.87Å; E1180-S1183 PolarHBondContact O-OG 2.82Å
1184A78.3Confident87.8Confident53 Ų5330.3 Ų30.344%0.43815%0.151SC..Hα-helixtrans-84.5-49.9-176.700000113.1M1 D2 E1180 Y1181 A1182M1-A1184 VanDerWaalsContact CA-O 3.23Å; M1-A1184 WeakPolarHBondContact CA-O 3.31Å; D2-A1184 PolarHBondContact N-O 2.81Å; E1180-A1184 PolarHBondContact O-N 2.84Å; Y1181-A1184 PolarHBondContact O-N 3.03Å; A1182-A1184 PolarHBondContact O-N 2.96Å
1185R79.5Confident87.7Confident95 Ų9536.4 Ų36.436%0.35818%0.18SC..THydrogen-bonded Turntrans-123.8-39.4-157.4-73.5-164.4164.1136.32.7117.3Y1181Y1181-R1185 HydrophobicContact CD1-CB 4.45Å; Y1181-R1185 HydrophobicContact CE1-CB 4.13Å; Y1181-R1185 PolarHBondContact O-N 3.35Å
1186A85.1Confident87.7Confident0 Ų039.7 Ų39.70%020%0.195CC..  trans-154.5153.7-169.700000111.6Y1181 A1182Y1181-A1186 HydrophobicContact CE1-CB 4.29Å; A1182-A1186 CarbonylContact C-O 3.38Å; A1182-A1186 WeakPolarHBondContact CA-O 3.32Å; A1182-A1186 VanDerWaalsContact O-O 3.12Å
1187Q90.5Very high87.8Confident0 Ų039.1 Ų39.10%019%0.191CC..EExtended strand (participates in β ladder)trans-71.2132.8171.5-178.5178.838.600110.4L8 F28 S29 V30 P1155 F1156 F1157 I1189L8-Q1187 PolarHBondContact O-NE2 3.48Å; L8-Q1187 PolarHBondContact O-OE1 2.87Å; F28-Q1187 PolarHBondContact O-NE2 3.42Å; S29-Q1187 WeakPolarHBondContact O-CG 3.5Å; S29-Q1187 PolarHBondContact O-NE2 2.96Å; V30-Q1187 CarbonylContact O-C 3.59Å; V30-Q1187 WeakPolarHBondContact O-CA 3.46Å; P1155-Q1187 PolarHBondContact O-N 2.79Å; P1155-Q1187 VanDerWaalsContact O-N 3.09Å; F1156-Q1187 CarbonylContact C-O 3.56Å; F1156-Q1187 WeakPolarHBondContact CA-O 3.46Å; F1156-Q1187 HydrophobicContact CB-CB 3.91Å; F1156-Q1187 HydrophobicContact CB-CG 4.36Å; F1157-Q1187 PolarHBondContact N-O 3.33Å; Q1187-I1189 HydrophobicContact CG-CG1 4.49Å
1188I91.9Very high87.7Confident0 Ų041 Ų410%020%0.198CC..EExtended strand (participates in β ladder)trans-117.1128.5176.7-56.4-172.8000110.1V30 F31 T32 F1146 F1157 L1159 I1178 Y1181 A1182 V1190V30-I1188 PolarHBondContact O-N 3.23Å; F31-I1188 WeakPolarHBondContact CA-O 3.3Å; F31-I1188 HydrophobicContact CD2-CB 4.4Å; T32-I1188 PolarHBondContact N-O 2.85Å; F1146-I1188 HydrophobicContact CE1-CD1 4.17Å; F1146-I1188 HydrophobicContact CZ-CD1 4.46Å; F1157-I1188 HydrophobicContact CB-CG1 4.23Å; F1157-I1188 WeakPolarHBondContact O-CA 3.27Å; L1159-I1188 HydrophobicContact CD1-CG2 4.25Å; I1178-I1188 HydrophobicContact CB-CD1 4.41Å; I1178-I1188 HydrophobicContact CG1-CD1 4.43Å; I1178-I1188 HydrophobicContact CG2-CB 4.22Å; I1178-I1188 HydrophobicContact CG2-CD1 3.83Å; I1178-I1188 HydrophobicContact CG2-CG2 3.86Å; Y1181-I1188 HydrophobicContact CD1-CD1 3.88Å; A1182-I1188 HydrophobicContact CB-CB 4.2Å; A1182-I1188 HydrophobicContact CB-CD1 4.03Å; A1182-I1188 HydrophobicContact CB-CG1 3.89Å; I1188-V1190 HydrophobicContact CG2-CG2 3.62Å
1189I92.3Very high87.6Confident0 Ų044.1 Ų44.10%022%0.22CC..EExtended strand (participates in β ladder)trans-117.7117.6176.6-56.6173.1000107.6L8 F28 T32 I34 F1157 V1158 L1159 Q1187L8-I1189 HydrophobicContact CD2-CD1 4.02Å; F28-I1189 HydrophobicContact CD1-CD1 3.98Å; F28-I1189 HydrophobicContact CD1-CG1 4.36Å; F28-I1189 HydrophobicContact CD2-CD1 4.22Å; F28-I1189 HydrophobicContact CE1-CD1 4.19Å; F28-I1189 HydrophobicContact CE1-CG2 4.44Å; F28-I1189 HydrophobicContact CE2-CD1 4.42Å; F28-I1189 HydrophobicContact CG-CD1 4.01Å; F28-I1189 HydrophobicContact CZ-CD1 4.42Å; T32-I1189 CarbonylContact O-C 3.56Å; T32-I1189 WeakPolarHBondContact O-CA 3.34Å; I34-I1189 HydrophobicContact CD1-CG2 3.4Å; I34-I1189 HydrophobicContact CG1-CG2 4.21Å; F1157-I1189 PolarHBondContact O-N 2.76Å; V1158-I1189 VanDerWaalsContact CA-O 3.3Å; V1158-I1189 WeakPolarHBondContact CA-O 3.27Å; V1158-I1189 HydrophobicContact CG2-CB 4.39Å; L1159-I1189 PolarHBondContact N-O 3.44Å; Q1187-I1189 HydrophobicContact CG-CG1 4.49Å
1190V92.4Very high87.5Confident0 Ų042 Ų420%021%0.212CC..EExtended strand (participates in β ladder)trans-119.7134.2-177.7-1730000111.3F31 T32 A33 I34 L1159 I1188 F1197F31-V1190 HydrophobicContact CE2-CB 4.29Å; F31-V1190 HydrophobicContact CE2-CG2 3.77Å; T32-V1190 PolarHBondContact O-N 3.3Å; A33-V1190 CarbonylContact C-O 3.53Å; A33-V1190 VanDerWaalsContact CA-O 3.27Å; A33-V1190 WeakPolarHBondContact CA-O 3.48Å; I34-V1190 PolarHBondContact N-O 2.65Å; L1159-V1190 HydrophobicContact CB-CB 4.48Å; L1159-V1190 HydrophobicContact CB-CG1 4.15Å; L1159-V1190 HydrophobicContact CB-CG2 4.07Å; L1159-V1190 HydrophobicContact CD1-CG2 4.18Å; L1159-V1190 CarbonylContact O-C 3.58Å; L1159-V1190 WeakPolarHBondContact O-CA 3.2Å; I1188-V1190 HydrophobicContact CG2-CG2 3.62Å; V1190-F1197 HydrophobicContact CB-CD1 4.43Å; V1190-F1197 HydrophobicContact CB-CE1 3.6Å; V1190-F1197 HydrophobicContact CB-CZ 4.2Å; V1190-F1197 HydrophobicContact CG1-CD1 4.03Å; V1190-F1197 HydrophobicContact CG1-CE1 3.34Å; V1190-F1197 HydrophobicContact CG1-CZ 3.67Å; V1190-F1197 HydrophobicContact CG2-CE1 3.66Å; V1190-F1197 HydrophobicContact CG2-CZ 3.95Å
1191I91.8Very high87.6Confident1 Ų137.2 Ų37.21%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-97.5118167.3-56.7166000106.8I34 K42 M46 L1159 D1160 E1161I34-I1191 HydrophobicContact CB-CG1 3.89Å; I34-I1191 HydrophobicContact CD1-CD1 4.44Å; I34-I1191 HydrophobicContact CD1-CG1 3.75Å; I34-I1191 HydrophobicContact CG1-CG1 4.46Å; I34-I1191 HydrophobicContact CG2-CG1 4.18Å; I34-I1191 WeakPolarHBondContact O-CA 3.48Å; K42-I1191 HydrophobicContact CB-CG2 3.98Å; K42-I1191 HydrophobicContact CD-CG2 4.18Å; M46-I1191 HydrophobicContact CB-CD1 4.1Å; L1159-I1191 PolarHBondContact O-N 2.7Å; D1160-I1191 HydrophobicContact CB-CD1 4.3Å; D1160-I1191 WeakPolarHBondContact OD1-CB 3.36Å; D1160-I1191 WeakPolarHBondContact OD1-CD1 3.12Å; D1160-I1191 WeakPolarHBondContact OD1-CG2 3.19Å; E1161-I1191 WeakPolarHBondContact CA-O 3.08Å; E1161-I1191 PolarHBondContact N-O 2.96Å
1192S89.8Confident87.7Confident0 Ų038.4 Ų38.40%020%0.198CC..  trans-146.1153.3-177.61670000110.8I34 D1163 K1194I34-S1192 PolarHBondContact O-N 3.03Å; D1163-S1192 WeakPolarHBondContact OD2-CB 3.29Å; D1163-S1192 PolarHBondContact OD2-OG 3.35Å; S1192-K1194 PolarHBondContact OG-N 2.73Å; S1192-K1194 VanDerWaalsContact OG-N 3.08Å
1193L87.5Confident88Confident75 Ų7538.7 Ų38.739%0.39320%0.2SC..  trans-106.5-7.3174.4-63.5172000112.4G36 N38G36-L1193 VanDerWaalsContact O-CD2 3.3Å; G36-L1193 WeakPolarHBondContact O-CD2 3.04Å; N38-L1193 WeakPolarHBondContact OD1-CD1 3.26Å
1194K88.7Confident88.6Confident80 Ų8036.2 Ų36.235%0.34818%0.181SC..  trans-96.4122.7-172.7-65.2-75.4-171166.70110.8D1163 I1171 S1192 E1196 F1197 Y1198D1163-K1194 HydrophobicContact CB-CG 4.14Å; D1163-K1194 VanDerWaalsContact OD2-CB 3.28Å; D1163-K1194 WeakPolarHBondContact OD2-CB 3.17Å; D1163-K1194 WeakPolarHBondContact OD2-CG 3.19Å; D1163-K1194 PolarHBondContact OD2-N 3.18Å; I1171-K1194 HydrophobicContact CD1-CB 4.19Å; I1171-K1194 HydrophobicContact CD1-CD 4.15Å; I1171-K1194 HydrophobicContact CD1-CG 3.87Å; S1192-K1194 PolarHBondContact OG-N 2.73Å; S1192-K1194 VanDerWaalsContact OG-N 3.08Å; K1194-E1196 VanDerWaalsContact C-N 3.26Å; K1194-E1196 PolarHBondContact O-N 3.32Å; K1194-F1197 HydrophobicContact CB-CB 4.35Å; K1194-F1197 WeakPolarHBondContact O-CB 3.46Å; K1194-F1197 PolarHBondContact O-N 3.03Å; K1194-Y1198 VanDerWaalsContact C-CE1 3.4Å; K1194-Y1198 WeakPolarHBondContact O-CD1 3.42Å; K1194-Y1198 WeakPolarHBondContact O-CE1 3.44Å; K1194-Y1198 PolarHBondContact O-N 3.17Å
1195E88.3Confident89.3Confident129 Ų12933.7 Ų33.760%0.60316%0.161SC*.Hα-helixtrans-59.7-37.8-178.9-172.5174.7177.600112.7F1197 Y1198 S1199E1195-F1197 PolarHBondContact O-N 3.2Å; E1195-F1197 VanDerWaalsContact O-N 3.12Å; E1195-Y1198 HydrophobicContact CB-CE1 4.19Å; E1195-Y1198 HydrophobicContact CB-CE2 4.16Å; E1195-Y1198 WeakPolarHBondContact CB-OH 3.37Å; E1195-Y1198 HydrophobicContact CG-CE2 3.89Å; E1195-Y1198 PolarHBondContact O-N 3.05Å; E1195-S1199 WeakPolarHBondContact O-CB 3.26Å; E1195-S1199 PolarHBondContact O-N 2.8Å; E1195-S1199 PolarHBondContact O-OG 2.86Å
1196E87.7Confident90Very high69 Ų6930.2 Ų30.232%0.32215%0.154SC..Hα-helixtrans-61-23.8177.6-57.386.4167.900112.5N1168 I1171 K1194 S1199N1168-E1196 HydrophobicContact CB-CG 4.46Å; N1168-E1196 PolarHBondContact ND2-OE1 2.89Å; I1171-E1196 HydrophobicContact CG2-CB 3.77Å; K1194-E1196 VanDerWaalsContact C-N 3.26Å; K1194-E1196 PolarHBondContact O-N 3.32Å; E1196-S1199 PolarHBondContact O-OG 3.01Å
1197F89.7Confident90.3Very high0 Ų030.3 Ų30.30%015%0.154CC..Hα-helixtrans-86.2-56.4177.4-162-73000111.3F31 I1162 D1163 I1171 V1174 A1175 I1178 V1190 K1194 E1195 S1199 R1200F31-F1197 HydrophobicContact CE2-CE1 4.11Å; F31-F1197 HydrophobicContact CZ-CD1 4.25Å; F31-F1197 AromaticContact CZ-CE1 3.76Å; F31-F1197 HydrophobicContact CZ-CE1 3.76Å; I1162-F1197 HydrophobicContact CD1-CE2 3.88Å; I1162-F1197 HydrophobicContact CD1-CZ 3.91Å; I1162-F1197 HydrophobicContact CG1-CE2 4.13Å; I1162-F1197 HydrophobicContact CG1-CZ 4.42Å; D1163-F1197 HydrophobicContact CB-CD2 4.43Å; I1171-F1197 HydrophobicContact CG2-CB 3.79Å; I1171-F1197 HydrophobicContact CG2-CD2 4.04Å; I1171-F1197 HydrophobicContact CG2-CG 4.41Å; V1174-F1197 HydrophobicContact CG1-CE2 4.13Å; A1175-F1197 HydrophobicContact CB-CD2 4.24Å; A1175-F1197 HydrophobicContact CB-CG 4.35Å; I1178-F1197 HydrophobicContact CD1-CE2 4.1Å; I1178-F1197 HydrophobicContact CD1-CZ 3.5Å; V1190-F1197 HydrophobicContact CB-CD1 4.43Å; V1190-F1197 HydrophobicContact CB-CE1 3.6Å; V1190-F1197 HydrophobicContact CB-CZ 4.2Å; V1190-F1197 HydrophobicContact CG1-CD1 4.03Å; V1190-F1197 HydrophobicContact CG1-CE1 3.34Å; V1190-F1197 HydrophobicContact CG1-CZ 3.67Å; V1190-F1197 HydrophobicContact CG2-CE1 3.66Å; V1190-F1197 HydrophobicContact CG2-CZ 3.95Å; K1194-F1197 HydrophobicContact CB-CB 4.35Å; K1194-F1197 WeakPolarHBondContact O-CB 3.46Å; K1194-F1197 PolarHBondContact O-N 3.03Å; E1195-F1197 PolarHBondContact O-N 3.2Å; E1195-F1197 VanDerWaalsContact O-N 3.12Å; F1197-S1199 VanDerWaalsContact C-N 3.33Å; F1197-S1199 PolarHBondContact O-N 3.19Å; F1197-R1200 PolarHBondContact O-N 3.29Å
1198Y89.6Confident90.4Very high53 Ų5334.3 Ų34.321%0.20817%0.17CC..Hα-helixtrans-77.6-16.1-173.263.9-111.6000113.9A33 I35 K1194 E1195 R1200 A1201 L1204A33-Y1198 VanDerWaalsContact CB-CB 3.48Å; I35-Y1198 HydrophobicContact CG2-CD1 3.63Å; I35-Y1198 HydrophobicContact CG2-CD2 4.36Å; I35-Y1198 HydrophobicContact CG2-CE1 4.15Å; I35-Y1198 HydrophobicContact CG2-CG 3.76Å; K1194-Y1198 VanDerWaalsContact C-CE1 3.4Å; K1194-Y1198 WeakPolarHBondContact O-CD1 3.42Å; K1194-Y1198 WeakPolarHBondContact O-CE1 3.44Å; K1194-Y1198 PolarHBondContact O-N 3.17Å; E1195-Y1198 HydrophobicContact CB-CE1 4.19Å; E1195-Y1198 HydrophobicContact CB-CE2 4.16Å; E1195-Y1198 WeakPolarHBondContact CB-OH 3.37Å; E1195-Y1198 HydrophobicContact CG-CE2 3.89Å; E1195-Y1198 PolarHBondContact O-N 3.05Å; Y1198-R1200 PolarHBondContact O-N 2.96Å; Y1198-A1201 VanDerWaalsContact O-CB 3.31Å; Y1198-A1201 WeakPolarHBondContact O-CB 3.37Å; Y1198-A1201 PolarHBondContact O-N 2.84Å; Y1198-A1201 VanDerWaalsContact O-N 3.13Å; Y1198-L1204 HydrophobicContact CD2-CD1 4.49Å; Y1198-L1204 HydrophobicContact CD2-CD2 4.07Å; Y1198-L1204 HydrophobicContact CG-CD2 4.33Å
1199S87.8Confident90.3Very high67 Ų6736.9 Ų36.947%0.46919%0.187SC..THydrogen-bonded Turntrans-61.6-21.7171.653.50000113.6E1195 E1196 F1197E1195-S1199 WeakPolarHBondContact O-CB 3.26Å; E1195-S1199 PolarHBondContact O-N 2.8Å; E1195-S1199 PolarHBondContact O-OG 2.86Å; E1196-S1199 PolarHBondContact O-OG 3.01Å; F1197-S1199 VanDerWaalsContact C-N 3.33Å; F1197-S1199 PolarHBondContact O-N 3.19Å
1200R86.4Confident90.2Very high65 Ų6539.3 Ų39.325%0.24520%0.2CC..THydrogen-bonded Turntrans-91.1-0.7177.2-62.6-68.2-172.4166.50113.5F31 A1175 R1179 F1197 Y1198 E1233F31-R1200 VanDerWaalsContact CD1-O 3.31Å; F31-R1200 WeakPolarHBondContact CD1-O 3.26Å; F31-R1200 HydrophobicContact CE1-CB 4.19Å; F31-R1200 WeakPolarHBondContact CE1-O 3.19Å; A1175-R1200 HydrophobicContact CB-CB 4.31Å; A1175-R1200 HydrophobicContact CB-CG 4.19Å; R1179-R1200 WeakPolarHBondContact CD-O 3.45Å; F1197-R1200 PolarHBondContact O-N 3.29Å; Y1198-R1200 PolarHBondContact O-N 2.96Å; R1200-E1233 IonicContact CZ-OE1 3.95Å; R1200-E1233 IonicContact CZ-OE2 3.95Å; R1200-E1233 IonicContact NH1-OE1 3.94Å; R1200-E1233 PolarHBondContact NH1-OE1 3.09Å; R1200-E1233 IonicContact NH1-OE2 3.02Å; R1200-E1233 PolarHBondContact NH1-OE2 2.72Å; R1200-E1233 IonicContact NH2-OE1 3.95Å; R1200-E1233 PolarHBondContact NH2-OE1 2.8Å; R1200-E1233 IonicContact NH2-OE2 3.7Å
1201A89.5Confident89.7Confident6 Ų645.5 Ų45.55%0.0523%0.232CC..  trans-77.2154.5-179.400000112.7F31 A33 Y1198 L1204 L1225F31-A1201 VanDerWaalsContact CD1-CA 3.48Å; F31-A1201 HydrophobicContact CD1-CB 4.16Å; F31-A1201 HydrophobicContact CD2-CB 4.47Å; F31-A1201 HydrophobicContact CE1-CB 4.05Å; F31-A1201 HydrophobicContact CE2-CB 4.34Å; F31-A1201 HydrophobicContact CG-CB 4.34Å; F31-A1201 HydrophobicContact CZ-CB 4.13Å; A33-A1201 HydrophobicContact CB-CB 3.72Å; Y1198-A1201 VanDerWaalsContact O-CB 3.31Å; Y1198-A1201 WeakPolarHBondContact O-CB 3.37Å; Y1198-A1201 PolarHBondContact O-N 2.84Å; Y1198-A1201 VanDerWaalsContact O-N 3.13Å; A1201-L1204 HydrophobicContact CB-CD2 4.33Å; A1201-L1225 VanDerWaalsContact O-CD1 3.29Å; A1201-L1225 WeakPolarHBondContact O-CD1 3.44Å
1202D88.7Confident89.3Confident40 Ų4048 Ų4821%0.21424%0.243CC..SBendtrans-79.7-30175-54.6-46.5000111.3F31 L1225 S1226F31-D1202 PolarHBondContact N-OD2 2.77Å; F31-D1202 WeakPolarHBondContact O-CB 3.47Å; F31-D1202 PolarHBondContact O-N 3.43Å; D1202-L1225 WeakPolarHBondContact O-CB 3.28Å; D1202-L1225 PolarHBondContact O-N 2.96Å; D1202-S1226 PolarHBondContact O-N 3.39Å
1203S91.8Very high88.4Confident7 Ų755 Ų555%0.04928%0.281CS..EExtended strand (participates in β ladder)trans-146.3152.1175.461.10000112.4S29 F31 T32 A33 F1223S29-S1203 VanDerWaalsContact CB-OG 3.24Å; S29-S1203 WeakPolarHBondContact CB-OG 3.44Å; S29-S1203 WeakPolarHBondContact OG-CB 3.19Å; S29-S1203 PolarHBondContact OG-OG 2.81Å; F31-S1203 PolarHBondContact O-N 3.17Å; T32-S1203 WeakPolarHBondContact CA-O 3.38Å; T32-S1203 WeakPolarHBondContact CG2-OG 3.28Å; T32-S1203 PolarHBondContact OG1-OG 3.38Å; A33-S1203 PolarHBondContact N-O 3.05Å; S1203-F1223 CarbonylContact C-O 3.57Å; S1203-F1223 WeakPolarHBondContact CA-O 3.39Å
1204L93.3Very high87.8Confident20 Ų2058.7 Ų58.711%0.10530%0.301CS..EExtended strand (participates in β ladder)trans-112139.6175.9-57.9177.4000110.2A33 I35 Y1198 A1201 S1222 F1223 L1225A33-L1204 HydrophobicContact CB-CD2 3.84Å; A33-L1204 CarbonylContact O-C 3.59Å; A33-L1204 VanDerWaalsContact O-CA 3.28Å; A33-L1204 WeakPolarHBondContact O-CA 3.39Å; I35-L1204 HydrophobicContact CD1-CB 4.32Å; I35-L1204 HydrophobicContact CD1-CD1 4.06Å; I35-L1204 HydrophobicContact CG2-CD2 4.45Å; Y1198-L1204 HydrophobicContact CD2-CD1 4.49Å; Y1198-L1204 HydrophobicContact CD2-CD2 4.07Å; Y1198-L1204 HydrophobicContact CG-CD2 4.33Å; A1201-L1204 HydrophobicContact CB-CD2 4.33Å; L1204-S1222 CarbonylContact O-C 3.59Å; L1204-S1222 WeakPolarHBondContact O-CA 3.49Å; L1204-F1223 HydrophobicContact CB-CB 4.33Å; L1204-F1223 HydrophobicContact CD1-CD1 4.48Å; L1204-F1223 PolarHBondContact N-O 2.91Å; L1204-F1223 PolarHBondContact O-N 2.78Å; L1204-L1225 HydrophobicContact CD1-CD1 3.85Å; L1204-L1225 HydrophobicContact CD1-CD2 4.09Å; L1204-L1225 HydrophobicContact CD1-CG 4.13Å; L1204-L1225 HydrophobicContact CD2-CD1 3.85Å; L1204-L1225 HydrophobicContact CG-CD1 3.56Å; L1204-L1225 HydrophobicContact CG-CD2 4.45Å; L1204-L1225 HydrophobicContact CG-CG 3.93Å
1205I93.7Very high87.4Confident1 Ų156 Ų561%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-118.5105.9169.9-64.9178.7000107.8I25 F28 T32 A33 I34 I35 I1207 V1220 L1221I25-I1205 HydrophobicContact CG2-CD1 4.18Å; I25-I1205 HydrophobicContact CG2-CG2 4.06Å; F28-I1205 HydrophobicContact CD1-CD1 3.5Å; F28-I1205 HydrophobicContact CE1-CD1 3.37Å; F28-I1205 HydrophobicContact CZ-CD1 4.42Å; T32-I1205 HydrophobicContact CG2-CD1 3.66Å; T32-I1205 HydrophobicContact CG2-CG1 3.82Å; A33-I1205 PolarHBondContact O-N 3.3Å; I34-I1205 CarbonylContact C-O 3.49Å; I34-I1205 WeakPolarHBondContact CA-O 3.28Å; I34-I1205 HydrophobicContact CG1-CB 4.21Å; I35-I1205 PolarHBondContact N-O 3.35Å; I1205-I1207 HydrophobicContact CG2-CG1 4.44Å; I1205-V1220 HydrophobicContact CG2-CG1 3.54Å; I1205-L1221 CarbonylContact C-O 3.55Å; I1205-L1221 WeakPolarHBondContact CA-O 3Å
1206G93Very high87.2Confident21 Ų2153.3 Ų53.322%0.21628%0.281CS..EExtended strand (participates in β ladder)trans-85122.617700000111.5I35 V1220 L1221I35-G1206 CarbonylContact O-C 3.5Å; I35-G1206 WeakPolarHBondContact O-CA 3.35Å; G1206-V1220 CarbonylContact O-C 3.54Å; G1206-V1220 WeakPolarHBondContact O-CA 3.31Å; G1206-L1221 PolarHBondContact N-O 2.79Å; G1206-L1221 PolarHBondContact O-N 3.1Å
1207I93.1Very high87.3Confident2 Ų250.1 Ų50.11%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-109.8119.4174.5-59.4169.9000108.8I34 I35 G36 S40 K42 L45 I1205 R1219 V1220I34-I1207 HydrophobicContact CG2-CD1 3.46Å; I34-I1207 VanDerWaalsContact CG2-CD1 3.46Å; I34-I1207 HydrophobicContact CG2-CG1 4.2Å; I35-I1207 PolarHBondContact O-N 3.01Å; G36-I1207 WeakPolarHBondContact CA-O 3.46Å; S40-I1207 WeakPolarHBondContact CB-O 3.32Å; S40-I1207 WeakPolarHBondContact O-CG2 3.1Å; S40-I1207 PolarHBondContact OG-O 3.02Å; K42-I1207 HydrophobicContact CB-CD1 4.35Å; K42-I1207 HydrophobicContact CG-CB 4.19Å; K42-I1207 HydrophobicContact CG-CD1 4.28Å; L45-I1207 HydrophobicContact CD2-CD1 4.12Å; I1205-I1207 HydrophobicContact CG2-CG1 4.44Å; I1207-R1219 WeakPolarHBondContact CA-O 3.27Å; I1207-V1220 HydrophobicContact CG1-CG2 4.29Å
1208Y92.2Very high87.4Confident84 Ų8450.1 Ų50.133%0.32927%0.267SS..EExtended strand (participates in β ladder)trans-120.6145.4-179.173.5-83.8000111.5R1219 L1221Y1208-R1219 HydrophobicContact CD1-CB 3.96Å; Y1208-R1219 HydrophobicContact CD2-CB 4.46Å; Y1208-R1219 HydrophobicContact CE1-CB 3.35Å; Y1208-R1219 HydrophobicContact CE2-CB 3.93Å; Y1208-R1219 HydrophobicContact CG-CB 4.49Å; Y1208-R1219 PolarHBondContact N-O 3Å; Y1208-R1219 PolarHBondContact O-N 3.06Å; Y1208-R1219 WeakPolarHBondContact OH-CD 3.42Å; Y1208-L1221 HydrophobicContact CD1-CD1 3.86Å; Y1208-L1221 HydrophobicContact CD1-CG 4.14Å; Y1208-L1221 HydrophobicContact CE1-CD1 3.81Å; Y1208-L1221 HydrophobicContact CE1-CD2 4.42Å; Y1208-L1221 HydrophobicContact CE1-CG 3.85Å
1209P90Very high87.5Confident55 Ų5551.7 Ų51.736%0.35727%0.272SS..EExtended strand (participates in β ladder)trans-81.7139.3175.532.6-29000110.4L1216P1209-L1216 HydrophobicContact CB-CD1 3.97Å; P1209-L1216 HydrophobicContact CB-CD2 4.44Å; P1209-L1216 HydrophobicContact CB-CG 4.15Å
1210D89.6Confident87.7Confident50 Ų5049.9 Ų49.927%0.26726%0.258SS..EExtended strand (participates in β ladder)trans-123.4147.1167.5-165.1-0.5000108.1V1217 R1219D1210-V1217 PolarHBondContact N-O 3.29Å; D1210-V1217 PolarHBondContact O-N 3.32Å; D1210-R1219 HydrophobicContact CB-CG 4.48Å; D1210-R1219 IonicContact OD2-CZ 2.99Å; D1210-R1219 IonicContact OD2-NE 3.8Å; D1210-R1219 PolarHBondContact OD2-NE 2.97Å; D1210-R1219 IonicContact OD2-NH1 3.52Å; D1210-R1219 IonicContact OD2-NH2 3.09Å; D1210-R1219 PolarHBondContact OD2-NH2 3.17Å; D1210-R1219 VanDerWaalsContact OD2-NH2 3.09Å
1211I82.8Confident88Confident131 Ų13152 Ų5267%0.67227%0.274SS*.EExtended strand (participates in β ladder)trans-110.3109-178-57.6177.9000108.6
1212E82.3Confident88Confident52 Ų5255.3 Ų55.324%0.24330%0.297CS..EExtended strand (participates in β ladder)trans-119.3125.2175-63.6-178.1-167.300109.8K20 N1214 C1215 V1217 R1219K20-E1212 IonicContact NZ-OE2 2.72Å; K20-E1212 PolarHBondContact NZ-OE2 2.78Å; E1212-N1214 VanDerWaalsContact C-N 3.34Å; E1212-N1214 PolarHBondContact O-N 2.99Å; E1212-C1215 PolarHBondContact N-O 3.48Å; E1212-C1215 VanDerWaalsContact N-O 3.12Å; E1212-C1215 PolarHBondContact O-N 3.44Å; E1212-C1215 VanDerWaalsContact O-O 3.07Å; E1212-V1217 HydrophobicContact CB-CG2 3.92Å; E1212-V1217 HydrophobicContact CG-CG2 4.14Å; E1212-R1219 IonicContact OE1-CZ 3.77Å; E1212-R1219 IonicContact OE1-NE 3.94Å; E1212-R1219 IonicContact OE1-NH2 2.75Å; E1212-R1219 PolarHBondContact OE1-NH2 2.78Å
1213N71.7Confident88.1Confident148 Ų14858.3 Ų58.379%0.79131%0.308SS*.THydrogen-bonded Turntrans52.542.1174.8-63-22.4000115C1215N1213-C1215 PolarHBondContact O-N 3.46Å
1214N73.8Confident88Confident152 Ų15260.7 Ų60.781%0.81332%0.32SS*.THydrogen-bonded Turntrans59.520.3-175-66.2-4.2000114.7E1212E1212-N1214 VanDerWaalsContact C-N 3.34Å; E1212-N1214 PolarHBondContact O-N 2.99Å
1215C80.2Confident87.8Confident23 Ų2361.5 Ų61.516%0.15532%0.324CS..EExtended strand (participates in β ladder)trans-118.7138171.1-1650000109H70 E1212 N1213 V1217H70-C1215 PolarHBondContact CE1-SG 3.47Å; H70-C1215 PolarHBondContact NE2-SG 3.35Å; E1212-C1215 PolarHBondContact N-O 3.48Å; E1212-C1215 VanDerWaalsContact N-O 3.12Å; E1212-C1215 PolarHBondContact O-N 3.44Å; E1212-C1215 VanDerWaalsContact O-O 3.07Å; N1213-C1215 PolarHBondContact O-N 3.46Å; C1215-V1217 PolarHBondContact O-N 2.94Å
1216L84.7Confident87.1Confident74 Ų7464.6 Ų64.639%0.38735%0.346SS..EExtended strand (participates in β ladder)trans-76.4120.9175.6-175.4145.2000109.3H70 P1209H70-L1216 PolarHBondContact CE1-O 3.44Å; P1209-L1216 HydrophobicContact CB-CD1 3.97Å; P1209-L1216 HydrophobicContact CB-CD2 4.44Å; P1209-L1216 HydrophobicContact CB-CG 4.15Å
1217V90.6Very high86.6Confident2 Ų271.2 Ų71.21%0.01237%0.369CS..EExtended strand (participates in β ladder)trans-108.8118.1177.2-1790000108.9S18 K20 D1210 E1212 C1215S18-V1217 CarbonylContact O-C 3.54Å; S18-V1217 VanDerWaalsContact O-CA 3.28Å; S18-V1217 WeakPolarHBondContact O-CA 3.39Å; K20-V1217 HydrophobicContact CB-CG1 3.85Å; K20-V1217 HydrophobicContact CB-CG2 4.08Å; K20-V1217 HydrophobicContact CD-CG2 4.06Å; D1210-V1217 PolarHBondContact N-O 3.29Å; D1210-V1217 PolarHBondContact O-N 3.32Å; E1212-V1217 HydrophobicContact CB-CG2 3.92Å; E1212-V1217 HydrophobicContact CG-CG2 4.14Å; C1215-V1217 PolarHBondContact O-N 2.94Å
1218S91.7Very high86.1Confident0 Ų078.6 Ų78.60%040%0.398CS..EExtended strand (participates in β ladder)trans-82.5129.9174.7-62.20000110.2S18 Y19 S40S18-S1218 WeakPolarHBondContact CB-OG 3.09Å; S18-S1218 PolarHBondContact O-N 2.7Å; S18-S1218 WeakPolarHBondContact OG-CB 3.44Å; S18-S1218 PolarHBondContact OG-OG 3.19Å; Y19-S1218 WeakPolarHBondContact CD1-O 3.08Å; S40-S1218 WeakPolarHBondContact O-CB 3.36Å; S40-S1218 PolarHBondContact O-OG 2.97Å
1219R90.6Very high84.7Confident85 Ų8581.3 Ų81.332%0.32142%0.417SS..EExtended strand (participates in β ladder)trans-119159.3173.6-68.6-171.7-179.3-175.210110.4I1207 Y1208 D1210 E1212I1207-R1219 WeakPolarHBondContact CA-O 3.27Å; Y1208-R1219 HydrophobicContact CD1-CB 3.96Å; Y1208-R1219 HydrophobicContact CD2-CB 4.46Å; Y1208-R1219 HydrophobicContact CE1-CB 3.35Å; Y1208-R1219 HydrophobicContact CE2-CB 3.93Å; Y1208-R1219 HydrophobicContact CG-CB 4.49Å; Y1208-R1219 PolarHBondContact N-O 3Å; Y1208-R1219 PolarHBondContact O-N 3.06Å; Y1208-R1219 WeakPolarHBondContact OH-CD 3.42Å; D1210-R1219 HydrophobicContact CB-CG 4.48Å; D1210-R1219 IonicContact OD2-CZ 2.99Å; D1210-R1219 IonicContact OD2-NE 3.8Å; D1210-R1219 PolarHBondContact OD2-NE 2.97Å; D1210-R1219 IonicContact OD2-NH1 3.52Å; D1210-R1219 IonicContact OD2-NH2 3.09Å; D1210-R1219 PolarHBondContact OD2-NH2 3.17Å; D1210-R1219 VanDerWaalsContact OD2-NH2 3.09Å; E1212-R1219 IonicContact OE1-CZ 3.77Å; E1212-R1219 IonicContact OE1-NE 3.94Å; E1212-R1219 IonicContact OE1-NH2 2.75Å; E1212-R1219 PolarHBondContact OE1-NH2 2.78Å
1220V92.1Very high83.2Confident30 Ų3085.3 Ų85.318%0.18244%0.435CS..EExtended strand (participates in β ladder)trans-128.3138.7-168.1-174.40000110.6Y19 I25 I1205 G1206 I1207Y19-V1220 HydrophobicContact CE1-CG2 3.87Å; I25-V1220 HydrophobicContact CD1-CG2 3.93Å; I25-V1220 HydrophobicContact CG1-CG1 4.44Å; I25-V1220 HydrophobicContact CG1-CG2 3.96Å; I25-V1220 HydrophobicContact CG2-CG1 4.4Å; I1205-V1220 HydrophobicContact CG2-CG1 3.54Å; G1206-V1220 CarbonylContact O-C 3.54Å; G1206-V1220 WeakPolarHBondContact O-CA 3.31Å; I1207-V1220 HydrophobicContact CG1-CG2 4.29Å
1221L91.9Very high81.5Confident108 Ų10889.6 Ų89.657%0.56546%0.463SS*.EExtended strand (participates in β ladder)trans-128.8141.7173.3-61.5164.4000107.7I1205 G1206 Y1208I1205-L1221 CarbonylContact C-O 3.55Å; I1205-L1221 WeakPolarHBondContact CA-O 3Å; G1206-L1221 PolarHBondContact N-O 2.79Å; G1206-L1221 PolarHBondContact O-N 3.1Å; Y1208-L1221 HydrophobicContact CD1-CD1 3.86Å; Y1208-L1221 HydrophobicContact CD1-CG 4.14Å; Y1208-L1221 HydrophobicContact CE1-CD1 3.81Å; Y1208-L1221 HydrophobicContact CE1-CD2 4.42Å; Y1208-L1221 HydrophobicContact CE1-CG 3.85Å
1222S90.8Very high80Confident76 Ų7686.2 Ų86.253%0.53146%0.46SS..EExtended strand (participates in β ladder)trans-113.2145.1174.155.40000110.5L1204L1204-S1222 CarbonylContact O-C 3.59Å; L1204-S1222 WeakPolarHBondContact O-CA 3.49Å
1223F91.5Very high78.1Confident104 Ų10490.2 Ų90.246%0.45648%0.479SS..EExtended strand (participates in β ladder)trans-141127.5178.9-168.5-108.1000109.6S1203 L1204 L1225 Y1228S1203-F1223 CarbonylContact C-O 3.57Å; S1203-F1223 WeakPolarHBondContact CA-O 3.39Å; L1204-F1223 HydrophobicContact CB-CB 4.33Å; L1204-F1223 HydrophobicContact CD1-CD1 4.48Å; L1204-F1223 PolarHBondContact N-O 2.91Å; L1204-F1223 PolarHBondContact O-N 2.78Å; F1223-L1225 HydrophobicContact CD1-CD2 3.85Å; F1223-L1225 HydrophobicContact CD1-CG 4.45Å; F1223-L1225 HydrophobicContact CE1-CD2 3.78Å; F1223-Y1228 HydrophobicContact CE1-CD2 4.39Å; F1223-Y1228 AromaticContact CE1-CE2 3.84Å; F1223-Y1228 HydrophobicContact CE1-CE2 3.84Å; F1223-Y1228 HydrophobicContact CE2-CE2 4.47Å; F1223-Y1228 HydrophobicContact CZ-CD2 4.49Å; F1223-Y1228 AromaticContact CZ-CE2 3.53Å; F1223-Y1228 HydrophobicContact CZ-CE2 3.53Å; F1223-Y1228 AromaticContact CZ-CZ 3.91Å
1224D89.1Confident76.2Confident56 Ų5695.5 Ų95.530%0.29950%0.499SS..EExtended strand (participates in β ladder)trans-96.9115.9-176.4177.313000109.7S1226 K1227D1224-S1226 VanDerWaalsContact CG-OG 3.27Å; D1224-S1226 WeakPolarHBondContact OD1-CB 3.46Å; D1224-S1226 PolarHBondContact OD1-N 3.12Å; D1224-S1226 VanDerWaalsContact OD1-N 3.1Å; D1224-S1226 PolarHBondContact OD1-OG 2.96Å; D1224-S1226 PolarHBondContact OD2-OG 3.23Å; D1224-K1227 WeakPolarHBondContact OD2-CE 3.18Å; D1224-K1227 IonicContact OD2-NZ 3.56Å
1225L87.6Confident76.3Confident37 Ų3792.7 Ų92.719%0.19448%0.483CS..  trans-86.7-16.4-177.8-70.7177000112.7A1201 D1202 L1204 F1223 K1227 Y1228A1201-L1225 VanDerWaalsContact O-CD1 3.29Å; A1201-L1225 WeakPolarHBondContact O-CD1 3.44Å; D1202-L1225 WeakPolarHBondContact O-CB 3.28Å; D1202-L1225 PolarHBondContact O-N 2.96Å; L1204-L1225 HydrophobicContact CD1-CD1 3.85Å; L1204-L1225 HydrophobicContact CD1-CD2 4.09Å; L1204-L1225 HydrophobicContact CD1-CG 4.13Å; L1204-L1225 HydrophobicContact CD2-CD1 3.85Å; L1204-L1225 HydrophobicContact CG-CD1 3.56Å; L1204-L1225 HydrophobicContact CG-CD2 4.45Å; L1204-L1225 HydrophobicContact CG-CG 3.93Å; F1223-L1225 HydrophobicContact CD1-CD2 3.85Å; F1223-L1225 HydrophobicContact CD1-CG 4.45Å; F1223-L1225 HydrophobicContact CE1-CD2 3.78Å; L1225-K1227 PolarHBondContact O-N 3.26Å; L1225-Y1228 PolarHBondContact O-N 3.42Å
1226S80.7Confident76.1Confident67 Ų6796.3 Ų96.347%0.46950%0.501SS..THydrogen-bonded Turntrans-59.7-18.3-17767.60000114.1D1202 D1224 Y1228D1202-S1226 PolarHBondContact O-N 3.39Å; D1224-S1226 VanDerWaalsContact CG-OG 3.27Å; D1224-S1226 WeakPolarHBondContact OD1-CB 3.46Å; D1224-S1226 PolarHBondContact OD1-N 3.12Å; D1224-S1226 VanDerWaalsContact OD1-N 3.1Å; D1224-S1226 PolarHBondContact OD1-OG 2.96Å; D1224-S1226 PolarHBondContact OD2-OG 3.23Å; S1226-Y1228 VanDerWaalsContact C-N 3.31Å
1227K82.1Confident75.6Confident159 Ų15997.6 Ų97.669%0.69151%0.507SS*.THydrogen-bonded Turntrans-78.8-12.3177.1-61175.8-174.2170.40113.7D1224 L1225D1224-K1227 WeakPolarHBondContact OD2-CE 3.18Å; D1224-K1227 IonicContact OD2-NZ 3.56Å; L1225-K1227 PolarHBondContact O-N 3.26Å
1228Y81.6Confident74.7Confident158 Ų158103.2 Ų103.262%0.6254%0.536SS*.  trans-11768.9-174.9-54.5-82.9000109.5F1223 L1225 S1226 D1230F1223-Y1228 HydrophobicContact CE1-CD2 4.39Å; F1223-Y1228 AromaticContact CE1-CE2 3.84Å; F1223-Y1228 HydrophobicContact CE1-CE2 3.84Å; F1223-Y1228 HydrophobicContact CE2-CE2 4.47Å; F1223-Y1228 HydrophobicContact CZ-CD2 4.49Å; F1223-Y1228 AromaticContact CZ-CE2 3.53Å; F1223-Y1228 HydrophobicContact CZ-CE2 3.53Å; F1223-Y1228 AromaticContact CZ-CZ 3.91Å; L1225-Y1228 PolarHBondContact O-N 3.42Å; S1226-Y1228 VanDerWaalsContact C-N 3.31Å; Y1228-D1230 PolarHBondContact O-N 3.26Å
1229I64.2Low73.7Confident141 Ų141109.6 Ų109.672%0.72357%0.569SS**  trans-76.6122178-60.3168.7000108.8T1231I1229-T1231 PolarHBondContact O-N 3.41Å
1230D58.5Low72.5Confident139 Ų139111.3 Ų111.374%0.74359%0.586SS**  trans-71.1119.4172.4-144-10.7000108.9Y1228 G1232Y1228-D1230 PolarHBondContact O-N 3.26Å; D1230-G1232 PolarHBondContact O-N 2.75Å; D1230-G1232 VanDerWaalsContact O-N 3.17Å
1231T53.2Low71.1Confident139 Ų139117.1 Ų117.185%0.85362%0.615SS**THydrogen-bonded Turntrans-78.79.8-175.638.50000113I1229I1229-T1231 PolarHBondContact O-N 3.41Å
1232G50.3Low69.6Low60 Ų60117.8 Ų117.862%0.61962%0.619SS**THydrogen-bonded Turntrans-105.96.3-170.100000117.8D1230D1230-G1232 PolarHBondContact O-N 2.75Å; D1230-G1232 VanDerWaalsContact O-N 3.17Å
1233E42.6Very low67.8Low137 Ų137121.3 Ų121.364%0.6463%0.626SS**  trans-12829.1179.8-76.2-173.3167.100114.3R1200R1200-E1233 IonicContact CZ-OE1 3.95Å; R1200-E1233 IonicContact CZ-OE2 3.95Å; R1200-E1233 IonicContact NH1-OE1 3.94Å; R1200-E1233 PolarHBondContact NH1-OE1 3.09Å; R1200-E1233 IonicContact NH1-OE2 3.02Å; R1200-E1233 PolarHBondContact NH1-OE2 2.72Å; R1200-E1233 IonicContact NH2-OE1 3.95Å; R1200-E1233 PolarHBondContact NH2-OE1 2.8Å; R1200-E1233 IonicContact NH2-OE2 3.7Å
1234Q32.1Very low65.6Low258 Ų258122.8 Ų122.8100%1.20664%0.641SS**  trans-84.30150.5-76.7-174-5.900108.7

Retrieved 1,234 of 1,234 residues in 1465.2 ms (Link to these results)

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