A0A3Q0KS10_SCHMA Loading...

NTP_transf_2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KS10, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 543 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
1M40.8Very low78.4Confident145 Ų14559 Ų5971%0.71433%0.331SS*.  084.80-163.2-178.7169.200109.9L3 E321M1-L3 PolarHBondContact O-N 3.08Å; M1-E321 PolarHBondContact N-OE1 3.24Å
2L50.2Low80Confident32 Ų3254.1 Ų54.117%0.16830%0.304CS..  trans-60121.4176.4-71158.2000110.2N4 S5 L200 E321 H324L2-N4 PolarHBondContact O-N 2.88Å; L2-S5 PolarHBondContact O-N 2.84Å; L2-L200 HydrophobicContact CB-CB 4.49Å; L2-L200 HydrophobicContact CB-CD1 4.29Å; L2-L200 HydrophobicContact CD1-CD1 4.08Å; L2-L200 HydrophobicContact CD2-CB 3.95Å; L2-E321 HydrophobicContact CD2-CB 4.25Å; L2-E321 HydrophobicContact CG-CB 4.33Å; L2-H324 HydrophobicContact CD2-CB 3.77Å
3L59.1Low81.3Confident54 Ų5458 Ų5828%0.28331%0.311SS..THydrogen-bonded Turntrans14.674.4166.7-158.1107.7000113.5M1 S5 Y8 I170 H324M1-L3 PolarHBondContact O-N 3.08Å; L3-S5 PolarHBondContact O-N 3.05Å; L3-Y8 HydrophobicContact CD2-CD2 4.23Å; L3-Y8 HydrophobicContact CD2-CE2 3.41Å; L3-Y8 VanDerWaalsContact CD2-CE2 3.41Å; L3-Y8 HydrophobicContact CG-CE2 4.26Å; L3-I170 HydrophobicContact CD2-CD1 3.73Å; L3-I170 HydrophobicContact CD2-CG2 4.1Å; L3-H324 PolarHBondContact N-NE2 3.48Å
4N69.3Low82.4Confident62 Ų6258.6 Ų58.633%0.33231%0.306SS..THydrogen-bonded Turntrans14.360-172.3-150.8-18.3000115.9L2 A6 V7 Y8L2-N4 PolarHBondContact O-N 2.88Å; N4-A6 PolarHBondContact O-N 3.16Å; N4-V7 HydrophobicContact CB-CB 4.19Å; N4-V7 HydrophobicContact CB-CG2 4.21Å; N4-V7 VanDerWaalsContact ND2-CG2 3.25Å; N4-V7 WeakPolarHBondContact ND2-CG2 3.4Å; N4-V7 WeakPolarHBondContact O-CB 3.37Å; N4-V7 PolarHBondContact O-N 2.88Å; N4-V7 WeakPolarHBondContact OD1-CG2 3.43Å; N4-Y8 PolarHBondContact O-N 3.26Å
5S81.8Confident83.5Confident31 Ų3154.7 Ų54.722%0.21729%0.286CS..Hα-helixtrans-56.1-29.9-17362.90000112.8L2 L3 Y8 R9L2-S5 PolarHBondContact O-N 2.84Å; L3-S5 PolarHBondContact O-N 3.05Å; S5-Y8 PolarHBondContact O-N 2.97Å; S5-R9 WeakPolarHBondContact O-CB 3.36Å; S5-R9 WeakPolarHBondContact O-CG 3.43Å; S5-R9 PolarHBondContact O-N 3.15Å
6A87.9Confident84.4Confident61 Ų6151.3 Ų51.350%0.50427%0.268SS..Hα-helixtrans-62.2-41.9173.600000112.8N4 R9 S10N4-A6 PolarHBondContact O-N 3.16Å; A6-R9 PolarHBondContact O-N 3.26Å; A6-S10 WeakPolarHBondContact O-CB 3.38Å; A6-S10 PolarHBondContact O-N 2.9Å
7V91.8Very high85.2Confident67 Ų6748.3 Ų48.341%0.40625%0.253SS..Hα-helixtrans-64-47.3175.6168.60000110.3N4 R9 S10 L11N4-V7 HydrophobicContact CB-CB 4.19Å; N4-V7 HydrophobicContact CB-CG2 4.21Å; N4-V7 VanDerWaalsContact ND2-CG2 3.25Å; N4-V7 WeakPolarHBondContact ND2-CG2 3.4Å; N4-V7 WeakPolarHBondContact O-CB 3.37Å; N4-V7 PolarHBondContact O-N 2.88Å; N4-V7 WeakPolarHBondContact OD1-CG2 3.43Å; V7-R9 PolarHBondContact O-N 2.98Å; V7-S10 WeakPolarHBondContact O-CB 3.37Å; V7-S10 PolarHBondContact O-N 2.87Å; V7-L11 HydrophobicContact CG1-CD1 4.09Å; V7-L11 HydrophobicContact CG1-CG 4.41Å; V7-L11 WeakPolarHBondContact O-CG 3.48Å; V7-L11 PolarHBondContact O-N 3.24Å
8Y94.8Very high85.9Confident23 Ų2345.6 Ų45.69%0.0924%0.239CC..Hα-helixtrans-65.1-38.8178.7-75.6-71.6000113.1L3 N4 S5 L11 A12 E167 I170 L171 F174L3-Y8 HydrophobicContact CD2-CD2 4.23Å; L3-Y8 HydrophobicContact CD2-CE2 3.41Å; L3-Y8 VanDerWaalsContact CD2-CE2 3.41Å; L3-Y8 HydrophobicContact CG-CE2 4.26Å; N4-Y8 PolarHBondContact O-N 3.26Å; S5-Y8 PolarHBondContact O-N 2.97Å; Y8-L11 PolarHBondContact O-N 3.03Å; Y8-A12 WeakPolarHBondContact O-CB 3.36Å; Y8-A12 PolarHBondContact O-N 2.96Å; Y8-E167 WeakPolarHBondContact CE1-O 3.29Å; Y8-I170 HydrophobicContact CD1-CG2 3.96Å; Y8-I170 HydrophobicContact CD2-CG2 4.1Å; Y8-I170 HydrophobicContact CE1-CB 4.09Å; Y8-I170 HydrophobicContact CE1-CG2 3.76Å; Y8-I170 HydrophobicContact CE2-CG2 3.91Å; Y8-I170 HydrophobicContact CG-CG2 4.11Å; Y8-L171 HydrophobicContact CD1-CB 3.93Å; Y8-L171 HydrophobicContact CD1-CD1 4.25Å; Y8-L171 HydrophobicContact CE1-CB 4.11Å; Y8-F174 VanDerWaalsContact CB-CD2 3.48Å; Y8-F174 HydrophobicContact CD1-CD2 4.34Å; Y8-F174 HydrophobicContact CD2-CE2 4.13Å; Y8-F174 AromaticContact CG-CD2 3.89Å; Y8-F174 HydrophobicContact CG-CD2 3.89Å; Y8-F174 AromaticContact CG-CE2 3.92Å; Y8-F174 HydrophobicContact CG-CE2 3.92Å; Y8-F174 HydrophobicContact CG-CG 4.38Å; Y8-F174 HydrophobicContact CG-CZ 4.43Å
9R94.4Very high86.4Confident69 Ų6943.5 Ų43.526%0.2623%0.228SC..Hα-helixtrans-60.5-46.4171.7-76.5178.3-179.9148.3-2.9111.6S5 A6 V7 L11 A12 R13 F174 S194S5-R9 WeakPolarHBondContact O-CB 3.36Å; S5-R9 WeakPolarHBondContact O-CG 3.43Å; S5-R9 PolarHBondContact O-N 3.15Å; A6-R9 PolarHBondContact O-N 3.26Å; V7-R9 PolarHBondContact O-N 2.98Å; R9-L11 VanDerWaalsContact C-N 3.35Å; R9-L11 PolarHBondContact O-N 2.95Å; R9-A12 PolarHBondContact O-N 3.48Å; R9-R13 WeakPolarHBondContact O-CG 3.28Å; R9-R13 PolarHBondContact O-N 3.16Å; R9-F174 HydrophobicContact CG-CD1 3.99Å; R9-F174 HydrophobicContact CG-CE1 4.01Å; R9-S194 PolarHBondContact NH2-OG 2.81Å
10S95.3Very high86.8Confident69 Ų6941.3 Ų41.348%0.48322%0.216SC..Hα-helixtrans-59-45.2177.1-178.70000112.1A6 V7A6-S10 WeakPolarHBondContact O-CB 3.38Å; A6-S10 PolarHBondContact O-N 2.9Å; V7-S10 WeakPolarHBondContact O-CB 3.37Å; V7-S10 PolarHBondContact O-N 2.87Å
11L97Very high86.9Confident36 Ų3640.6 Ų40.619%0.18822%0.215CC..Hα-helixtrans-65.1-41.2174.6-68.3178.9000112V7 Y8 R9 R13 R14 S15 L171V7-L11 HydrophobicContact CG1-CD1 4.09Å; V7-L11 HydrophobicContact CG1-CG 4.41Å; V7-L11 WeakPolarHBondContact O-CG 3.48Å; V7-L11 PolarHBondContact O-N 3.24Å; Y8-L11 PolarHBondContact O-N 3.03Å; R9-L11 VanDerWaalsContact C-N 3.35Å; R9-L11 PolarHBondContact O-N 2.95Å; L11-R13 PolarHBondContact O-N 2.95Å; L11-R14 VanDerWaalsContact O-CG 3.28Å; L11-R14 WeakPolarHBondContact O-CG 3.34Å; L11-R14 PolarHBondContact O-N 2.85Å; L11-S15 WeakPolarHBondContact O-CB 3.46Å; L11-S15 PolarHBondContact O-N 2.88Å; L11-S15 PolarHBondContact O-OG 2.85Å; L11-L171 HydrophobicContact CB-CD1 3.56Å; L11-L171 HydrophobicContact CB-CD2 4.15Å; L11-L171 HydrophobicContact CD1-CD2 4.37Å
12A97.8Very high89.2Confident0 Ų036.2 Ų36.20%020%0.197CC..Hα-helixtrans-61-43.2-179.400000111.7Y8 R9 R14 S15 R99 L171 F174 V175 D178Y8-A12 WeakPolarHBondContact O-CB 3.36Å; Y8-A12 PolarHBondContact O-N 2.96Å; R9-A12 PolarHBondContact O-N 3.48Å; A12-R14 PolarHBondContact O-N 2.8Å; A12-S15 WeakPolarHBondContact O-CA 3.24Å; A12-S15 WeakPolarHBondContact O-CB 3.34Å; A12-S15 PolarHBondContact O-N 3.07Å; A12-R99 VanDerWaalsContact C-NH1 3.32Å; A12-R99 PolarHBondContact O-NH1 2.97Å; A12-L171 HydrophobicContact CB-CD1 4.21Å; A12-F174 HydrophobicContact CB-CB 3.99Å; A12-V175 HydrophobicContact CB-CG2 4.25Å; A12-D178 HydrophobicContact CB-CB 3.8Å
13R97.3Very high90.9Very high105 Ų10538.8 Ų38.840%0.39621%0.214SC..Hα-helixtrans-54.6-24.9178.9-74.5174.1-176.8161.4-3.3115R9 L11 P64 R99 D178 E181R9-R13 WeakPolarHBondContact O-CG 3.28Å; R9-R13 PolarHBondContact O-N 3.16Å; L11-R13 PolarHBondContact O-N 2.95Å; R13-P64 HydrophobicContact CB-CB 4.42Å; R13-P64 HydrophobicContact CB-CG 3.93Å; R13-P64 WeakPolarHBondContact O-CB 3.5Å; R13-R99 VanDerWaalsContact CA-NH1 3.3Å; R13-D178 VanDerWaalsContact CA-OD2 3.31Å; R13-D178 WeakPolarHBondContact CA-OD2 3.49Å; R13-D178 VanDerWaalsContact CG-OD1 3.26Å; R13-D178 WeakPolarHBondContact CG-OD1 3.11Å; R13-D178 WeakPolarHBondContact CG-OD2 3.36Å; R13-D178 PolarHBondContact N-OD2 2.76Å; R13-D178 IonicContact NE-OD1 4Å; R13-D178 PolarHBondContact NE-OD1 2.68Å; R13-E181 IonicContact NH2-OE1 3.64Å
14R97Very high92.4Very high66 Ų6636.4 Ų36.425%0.24920%0.202CC..THydrogen-bonded Turntrans-110.718.1176.865.2-177.4-177.6176.2-4.6113.3L11 A12 S61 S62 P64 L67L11-R14 VanDerWaalsContact O-CG 3.28Å; L11-R14 WeakPolarHBondContact O-CG 3.34Å; L11-R14 PolarHBondContact O-N 2.85Å; A12-R14 PolarHBondContact O-N 2.8Å; R14-S61 WeakPolarHBondContact CD-O 3.41Å; R14-S61 PolarHBondContact O-N 3.34Å; R14-S62 PolarHBondContact NH1-O 2.58Å; R14-P64 HydrophobicContact CB-CG 4.24Å; R14-L67 VanDerWaalsContact C-CD2 3.45Å
15S98.5Very high93.5Very high0 Ų033.8 Ų33.80%019%0.189CC..EExtended strand (participates in β ladder)trans-122.9153.7-178.5-57.10000112.9L11 A12 I59 Q60 L67 R99L11-S15 WeakPolarHBondContact O-CB 3.46Å; L11-S15 PolarHBondContact O-N 2.88Å; L11-S15 PolarHBondContact O-OG 2.85Å; A12-S15 WeakPolarHBondContact O-CA 3.24Å; A12-S15 WeakPolarHBondContact O-CB 3.34Å; A12-S15 PolarHBondContact O-N 3.07Å; S15-I59 CarbonylContact C-O 3.54Å; S15-I59 WeakPolarHBondContact CA-O 3.28Å; S15-Q60 WeakPolarHBondContact OG-CG 3.42Å; S15-L67 WeakPolarHBondContact O-CD2 3.31Å; S15-R99 WeakPolarHBondContact O-CD 3.35Å
16I98.1Very high94Very high1 Ų133.3 Ų33.31%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-134.5146.5175.8-179.6164.9000110.8L18 F32 L58 I59 L67 L71 R99I16-L18 HydrophobicContact CD1-CD2 3.69Å; I16-L18 HydrophobicContact CD1-CG 4.26Å; I16-L18 HydrophobicContact CG1-CD2 3.89Å; I16-L18 HydrophobicContact CG1-CG 4.09Å; I16-F32 HydrophobicContact CD1-CZ 4.47Å; I16-F32 HydrophobicContact CG2-CE1 3.84Å; I16-F32 HydrophobicContact CG2-CZ 3.87Å; I16-L58 WeakPolarHBondContact O-CA 3.43Å; I16-I59 HydrophobicContact CG2-CB 3.84Å; I16-I59 PolarHBondContact N-O 3.46Å; I16-I59 PolarHBondContact O-N 3.33Å; I16-L67 HydrophobicContact CB-CD1 4.32Å; I16-L67 HydrophobicContact CG2-CD1 4.05Å; I16-L71 HydrophobicContact CD1-CD1 4.05Å; I16-L71 HydrophobicContact CD1-CD2 3.37Å; I16-L71 HydrophobicContact CD1-CG 4.36Å; I16-R99 HydrophobicContact CB-CB 4.27Å; I16-R99 HydrophobicContact CG1-CB 4.19Å; I16-R99 WeakPolarHBondContact CG1-O 3.42Å
17L98.3Very high94.1Very high0 Ų030.5 Ų30.50%016%0.161CC..EExtended strand (participates in β ladder)trans-112.4129.5171.2-70.1171.1000111.8T56 L57 L58 R99 I100 N101 A172 V175 I291 L292L17-T56 HydrophobicContact CD2-CG2 3.84Å; L17-L57 WeakPolarHBondContact CA-O 3.47Å; L17-L58 HydrophobicContact CD2-CB 3.79Å; L17-L58 HydrophobicContact CD2-CD1 3.66Å; L17-L58 HydrophobicContact CD2-CG 4.34Å; L17-L58 HydrophobicContact CG-CD1 4.13Å; L17-R99 PolarHBondContact N-O 3.43Å; L17-I100 HydrophobicContact CB-CD1 3.91Å; L17-I100 HydrophobicContact CD1-CD1 3.77Å; L17-I100 HydrophobicContact CG-CD1 4.27Å; L17-N101 PolarHBondContact O-N 2.82Å; L17-A172 HydrophobicContact CD1-CB 4.12Å; L17-A172 WeakPolarHBondContact CD1-O 3.4Å; L17-A172 HydrophobicContact CD2-CB 4.03Å; L17-V175 HydrophobicContact CD1-CB 4.03Å; L17-V175 HydrophobicContact CD1-CG1 4.29Å; L17-V175 HydrophobicContact CG-CB 4.14Å; L17-V175 HydrophobicContact CG-CG1 4.07Å; L17-I291 HydrophobicContact CB-CD1 4.21Å; L17-I291 HydrophobicContact CB-CG1 3.81Å; L17-I291 HydrophobicContact CD1-CG1 4.42Å; L17-L292 HydrophobicContact CD1-CD1 4.48Å; L17-L292 HydrophobicContact CD1-CD2 4Å; L17-L292 HydrophobicContact CD1-CG 4.43Å
18L97Very high94.2Very high0 Ų027.3 Ų27.30%014%0.142CC..EExtended strand (participates in β ladder)trans-129.5133.1-178.3-57.7172.8000110.5I16 I28 F32 T56 L57 I59 N101 W107 I291I16-L18 HydrophobicContact CD1-CD2 3.69Å; I16-L18 HydrophobicContact CD1-CG 4.26Å; I16-L18 HydrophobicContact CG1-CD2 3.89Å; I16-L18 HydrophobicContact CG1-CG 4.09Å; L18-I28 HydrophobicContact CD1-CG2 3.77Å; L18-F32 HydrophobicContact CD1-CE2 4.19Å; L18-F32 HydrophobicContact CD1-CZ 4.37Å; L18-T56 CarbonylContact O-C 3.53Å; L18-T56 WeakPolarHBondContact O-CA 3.37Å; L18-L57 HydrophobicContact CB-CB 4.47Å; L18-L57 PolarHBondContact N-O 3.28Å; L18-L57 PolarHBondContact O-N 3.21Å; L18-I59 HydrophobicContact CD1-CD1 4.27Å; L18-N101 HydrophobicContact CD2-CB 3.8Å; L18-W107 HydrophobicContact CD1-CH2 4.15Å; L18-W107 HydrophobicContact CD1-CZ2 3.48Å; L18-W107 VanDerWaalsContact CD1-CZ2 3.48Å; L18-W107 HydrophobicContact CD2-CZ2 3.74Å; L18-W107 HydrophobicContact CG-CZ2 4.18Å; L18-I291 VanDerWaalsContact C-CD1 3.4Å
19T95.2Very high94.2Very high5 Ų526.3 Ų26.33%0.03114%0.138CC..EExtended strand (participates in β ladder)trans-80.8127.6162.6-59.80000108.1V54 G55 N101 S102 P104 I291T19-V54 HydrophobicContact CG2-CB 4.15Å; T19-G55 WeakPolarHBondContact CA-O 3.44Å; T19-N101 PolarHBondContact N-O 3.24Å; T19-S102 WeakPolarHBondContact CB-O 3.38Å; T19-S102 WeakPolarHBondContact OG1-CA 3.49Å; T19-S102 PolarHBondContact OG1-O 3.29Å; T19-P104 HydrophobicContact CG2-CB 4.13Å; T19-P104 HydrophobicContact CG2-CG 4.3Å; T19-P104 WeakPolarHBondContact O-CA 3.15Å; T19-I291 VanDerWaalsContact N-CD1 3.26Å; T19-I291 WeakPolarHBondContact OG1-CD1 3.49Å
20C93.8Very high94.1Very high0 Ų023.4 Ų23.40%013%0.127CC..EExtended strand (participates in β ladder)trans-152.4162.7176.865.60000111.9I28 Y44 V54 G55C20-I28 HydrophobicContact CB-CD1 3.46Å; C20-I28 VanDerWaalsContact CB-CD1 3.46Å; C20-Y44 PolarHBondContact O-OH 3.02Å; C20-V54 CarbonylContact O-C 3.56Å; C20-V54 WeakPolarHBondContact O-CA 3.34Å; C20-G55 PolarHBondContact N-O 3Å; C20-G55 PolarHBondContact O-N 3.34Å
21S90.6Very high93.9Very high26 Ų2622.1 Ų22.118%0.18211%0.113CC..  trans-71.5156.4169.570.30000110.8T23 S24 V25 P53S21-T23 PolarHBondContact O-N 2.93Å; S21-T23 PolarHBondContact OG-OG1 2.88Å; S21-S24 WeakPolarHBondContact O-CB 3.49Å; S21-S24 PolarHBondContact O-N 3.32Å; S21-S24 WeakPolarHBondContact OG-CB 3.39Å; S21-S24 PolarHBondContact OG-N 3.24Å; S21-S24 PolarHBondContact OG-OG 3.01Å; S21-V25 PolarHBondContact O-N 2.55Å; S21-P53 WeakPolarHBondContact CA-O 3.31Å
22P87.8Confident93.8Very high54 Ų5420.5 Ų20.535%0.35110%0.104SC..THydrogen-bonded Turntrans-54.8-37.7172.3-23.930.5000112.8S24 V25 Y44 P53P22-S24 PolarHBondContact O-N 3.33Å; P22-V25 PolarHBondContact O-N 2.96Å; P22-Y44 HydrophobicContact CB-CE1 4.24Å; P22-Y44 VanDerWaalsContact CD-OH 3.26Å; P22-Y44 WeakPolarHBondContact CD-OH 3.46Å; P22-Y44 HydrophobicContact CG-CE1 4.22Å; P22-Y44 WeakPolarHBondContact CG-OH 3.48Å; P22-P53 WeakPolarHBondContact CD-O 3.43Å; P22-P53 HydrophobicContact CG-CB 4.23Å
23T86.4Confident93.7Very high86 Ų8621.7 Ų21.753%0.52811%0.111SC..THydrogen-bonded Turntrans-67-24.3178.2520000113.3S21S21-T23 PolarHBondContact O-N 2.93Å; S21-T23 PolarHBondContact OG-OG1 2.88Å
24S90.5Very high93.5Very high4 Ų423.1 Ų23.13%0.02812%0.12CC..Hα-helixtrans-83.3-17.7178.2-56.40000113.1S21 P22 Y27 I28 W107 V109S21-S24 WeakPolarHBondContact O-CB 3.49Å; S21-S24 PolarHBondContact O-N 3.32Å; S21-S24 WeakPolarHBondContact OG-CB 3.39Å; S21-S24 PolarHBondContact OG-N 3.24Å; S21-S24 PolarHBondContact OG-OG 3.01Å; P22-S24 PolarHBondContact O-N 3.33Å; S24-Y27 WeakPolarHBondContact O-CB 3.29Å; S24-Y27 PolarHBondContact O-N 3.4Å; S24-I28 VanDerWaalsContact O-CG1 3.23Å; S24-I28 WeakPolarHBondContact O-CG1 3.42Å; S24-I28 PolarHBondContact O-N 2.72Å; S24-W107 PolarHBondContact OG-O 2.83Å; S24-V109 WeakPolarHBondContact OG-CG2 3.28Å
25V92.2Very high93.3Very high7 Ų722.3 Ų22.34%0.04212%0.12CC..Hα-helixtrans-57.1-51.2-175.71750000112.2S21 P22 Y27 I28 I29 Y44 L57 L130S21-V25 PolarHBondContact O-N 2.55Å; P22-V25 PolarHBondContact O-N 2.96Å; V25-Y27 VanDerWaalsContact C-N 3.31Å; V25-Y27 PolarHBondContact O-N 3.47Å; V25-I28 PolarHBondContact O-N 3.16Å; V25-I29 HydrophobicContact CG1-CD1 3.73Å; V25-I29 WeakPolarHBondContact O-CG1 3.41Å; V25-I29 PolarHBondContact O-N 2.82Å; V25-Y44 HydrophobicContact CG2-CD1 4.21Å; V25-Y44 HydrophobicContact CG2-CD2 3.56Å; V25-Y44 HydrophobicContact CG2-CE1 4.27Å; V25-Y44 HydrophobicContact CG2-CE2 3.63Å; V25-Y44 HydrophobicContact CG2-CG 3.87Å; V25-L57 HydrophobicContact CG1-CD1 4.04Å; V25-L57 HydrophobicContact CG1-CD2 4.36Å; V25-L130 HydrophobicContact CG1-CD1 4.34Å; V25-L130 HydrophobicContact CG1-CD2 3.88Å
26P91.7Very high92.9Very high20 Ų2023 Ų2313%0.1313%0.127CC..Hα-helixtrans-62.5-38.9178.5-22.535.4000112.4I29 D30 Y115 P121 L124P26-I29 PolarHBondContact O-N 3.49Å; P26-D30 WeakPolarHBondContact O-CB 3.21Å; P26-D30 PolarHBondContact O-N 2.98Å; P26-Y115 HydrophobicContact CB-CD1 3.97Å; P26-P121 HydrophobicContact CB-CB 4.47Å; P26-P121 HydrophobicContact CB-CG 4.47Å; P26-P121 HydrophobicContact CG-CB 4.15Å; P26-P121 HydrophobicContact CG-CG 4.24Å; P26-L124 HydrophobicContact CB-CD1 3.86Å; P26-L124 VanDerWaalsContact O-CD1 3.3Å; P26-L124 WeakPolarHBondContact O-CD1 3.07Å
27Y91Very high92.5Very high3 Ų325.9 Ų25.91%0.01216%0.157CC..Hα-helixtrans-63.1-44.5178.4165.9-111000112.7S24 V25 D30 K31 W107 P108 E110 Y115S24-Y27 WeakPolarHBondContact O-CB 3.29Å; S24-Y27 PolarHBondContact O-N 3.4Å; V25-Y27 VanDerWaalsContact C-N 3.31Å; V25-Y27 PolarHBondContact O-N 3.47Å; Y27-D30 PolarHBondContact O-N 3.29Å; Y27-K31 HydrophobicContact CE1-CD 4.31Å; Y27-K31 HydrophobicContact CE2-CD 4.03Å; Y27-K31 HydrophobicContact CE2-CG 4.32Å; Y27-K31 PolarHBondContact O-N 2.92Å; Y27-K31 WeakPolarHBondContact OH-CE 3.36Å; Y27-K31 PolarHBondContact OH-NZ 3.27Å; Y27-W107 HydrophobicContact CE1-CE3 4.44Å; Y27-P108 WeakPolarHBondContact CE1-O 3.41Å; Y27-P108 VanDerWaalsContact CZ-O 3.31Å; Y27-P108 PolarHBondContact OH-O 2.88Å; Y27-E110 HydrophobicContact CE2-CB 4.06Å; Y27-E110 HydrophobicContact CE2-CG 4.32Å; Y27-E110 VanDerWaalsContact OH-CD 3.25Å; Y27-E110 PolarHBondContact OH-OE1 3.15Å; Y27-Y115 HydrophobicContact CD2-CD2 4.32Å; Y27-Y115 HydrophobicContact CD2-CE1 4.45Å; Y27-Y115 AromaticContact CD2-CE2 3.58Å; Y27-Y115 HydrophobicContact CD2-CE2 3.58Å; Y27-Y115 AromaticContact CD2-CZ 3.67Å; Y27-Y115 HydrophobicContact CE2-CE2 4.49Å; Y27-Y115 HydrophobicContact CG-CE2 4.27Å
28I93.7Very high92.1Very high0 Ų027.6 Ų27.60%017%0.169CC..Hα-helixtrans-63.7-48.2177-64.2166.5000109.7L18 C20 S24 V25 D30 K31 F32 L57 I59 W107L18-I28 HydrophobicContact CD1-CG2 3.77Å; C20-I28 HydrophobicContact CB-CD1 3.46Å; C20-I28 VanDerWaalsContact CB-CD1 3.46Å; S24-I28 VanDerWaalsContact O-CG1 3.23Å; S24-I28 WeakPolarHBondContact O-CG1 3.42Å; S24-I28 PolarHBondContact O-N 2.72Å; V25-I28 PolarHBondContact O-N 3.16Å; I28-D30 VanDerWaalsContact C-N 3.33Å; I28-D30 PolarHBondContact O-N 2.81Å; I28-K31 PolarHBondContact O-N 2.89Å; I28-K31 VanDerWaalsContact O-N 3.15Å; I28-F32 HydrophobicContact CG2-CD2 3.83Å; I28-F32 HydrophobicContact CG2-CE2 3.8Å; I28-F32 VanDerWaalsContact O-CD2 3.32Å; I28-F32 WeakPolarHBondContact O-CD2 3.32Å; I28-F32 PolarHBondContact O-N 3.13Å; I28-L57 HydrophobicContact CB-CD2 4.13Å; I28-L57 HydrophobicContact CD1-CD2 4.15Å; I28-L57 HydrophobicContact CG2-CD2 3.92Å; I28-I59 HydrophobicContact CG2-CD1 3.65Å; I28-W107 HydrophobicContact CD1-CB 4.1Å; I28-W107 HydrophobicContact CD1-CD2 3.72Å; I28-W107 HydrophobicContact CD1-CE3 4.17Å; I28-W107 HydrophobicContact CD1-CG 3.67Å; I28-W107 HydrophobicContact CG1-CB 4.34Å; I28-W107 HydrophobicContact CG1-CD2 3.68Å; I28-W107 HydrophobicContact CG1-CE3 3.57Å; I28-W107 HydrophobicContact CG1-CG 4.03Å; I28-W107 HydrophobicContact CG1-CZ3 4.09Å; I28-W107 HydrophobicContact CG2-CH2 4.34Å; I28-W107 HydrophobicContact CG2-CZ3 4.32Å
29I94.3Very high92.1Very high2 Ų228 Ų281%0.0117%0.171CC..Hα-helixtrans-59-44.6179.1-69.4169.8000111.1V25 P26 K31 F32 L33 A42 L124 L130V25-I29 HydrophobicContact CG1-CD1 3.73Å; V25-I29 WeakPolarHBondContact O-CG1 3.41Å; V25-I29 PolarHBondContact O-N 2.82Å; P26-I29 PolarHBondContact O-N 3.49Å; I29-K31 VanDerWaalsContact C-N 3.33Å; I29-K31 PolarHBondContact O-N 3.11Å; I29-F32 PolarHBondContact O-N 3.26Å; I29-L33 HydrophobicContact CG2-CD1 3.76Å; I29-L33 HydrophobicContact CG2-CG 4.29Å; I29-L33 WeakPolarHBondContact O-CG 3.4Å; I29-L33 PolarHBondContact O-N 3.48Å; I29-A42 HydrophobicContact CD1-CB 4.11Å; I29-L124 HydrophobicContact CG2-CB 4.21Å; I29-L124 HydrophobicContact CG2-CD2 4.35Å; I29-L130 HydrophobicContact CD1-CB 4.49Å; I29-L130 HydrophobicContact CD1-CD1 4.09Å; I29-L130 HydrophobicContact CD1-CD2 3.89Å; I29-L130 HydrophobicContact CD1-CG 4.38Å
30D92.4Very high92.1Very high8 Ų831.1 Ų31.14%0.04319%0.188CC..Hα-helixtrans-59-42.2176.4-169.358.7000111.7P26 Y27 I28 L33 K34 K114 Y115 Y120 L124P26-D30 WeakPolarHBondContact O-CB 3.21Å; P26-D30 PolarHBondContact O-N 2.98Å; Y27-D30 PolarHBondContact O-N 3.29Å; I28-D30 VanDerWaalsContact C-N 3.33Å; I28-D30 PolarHBondContact O-N 2.81Å; D30-L33 PolarHBondContact O-N 2.79Å; D30-K34 WeakPolarHBondContact O-CB 3.45Å; D30-K34 VanDerWaalsContact O-CG 3.28Å; D30-K34 WeakPolarHBondContact O-CG 3.4Å; D30-K34 PolarHBondContact O-N 3.06Å; D30-K34 WeakPolarHBondContact OD1-CE 3.27Å; D30-K34 IonicContact OD1-NZ 3.37Å; D30-K34 WeakPolarHBondContact OD2-CE 3.43Å; D30-K34 IonicContact OD2-NZ 2.82Å; D30-K34 PolarHBondContact OD2-NZ 3.44Å; D30-K114 IonicContact OD2-NZ 3.89Å; D30-K114 PolarHBondContact OD2-NZ 2.9Å; D30-Y115 HydrophobicContact CB-CE1 3.92Å; D30-Y115 PolarHBondContact OD2-OH 2.83Å; D30-Y120 HydrophobicContact CB-CE1 4.44Å; D30-Y120 VanDerWaalsContact CG-OH 3.25Å; D30-Y120 PolarHBondContact OD1-OH 3.46Å; D30-Y120 PolarHBondContact OD2-OH 2.87Å; D30-L124 HydrophobicContact CB-CD1 4.12Å; D30-L124 HydrophobicContact CB-CD2 4.13Å
31K92.5Very high92.2Very high42 Ų4235.5 Ų35.518%0.18321%0.205CC..Hα-helixtrans-62.5-45.1174.6-80.8-166.8165.3-176.90111.9Y27 I28 I29 K34 I35 E110Y27-K31 HydrophobicContact CE1-CD 4.31Å; Y27-K31 HydrophobicContact CE2-CD 4.03Å; Y27-K31 HydrophobicContact CE2-CG 4.32Å; Y27-K31 PolarHBondContact O-N 2.92Å; Y27-K31 WeakPolarHBondContact OH-CE 3.36Å; Y27-K31 PolarHBondContact OH-NZ 3.27Å; I28-K31 PolarHBondContact O-N 2.89Å; I28-K31 VanDerWaalsContact O-N 3.15Å; I29-K31 VanDerWaalsContact C-N 3.33Å; I29-K31 PolarHBondContact O-N 3.11Å; K31-K34 PolarHBondContact O-N 2.68Å; K31-I35 WeakPolarHBondContact O-CB 3.33Å; K31-I35 VanDerWaalsContact O-CG1 3.28Å; K31-I35 WeakPolarHBondContact O-CG1 3.49Å; K31-I35 PolarHBondContact O-N 3.1Å; K31-E110 IonicContact NZ-OE1 3.59Å
32F94.7Very high92.6Very high1 Ų134.3 Ų34.30%0.00420%0.196CC..Hα-helixtrans-63.6-42177.8-88.5-106.4000112.2I16 L18 I28 I29 G36 V39 I59 L67 T70 L71 I74 W107I16-F32 HydrophobicContact CD1-CZ 4.47Å; I16-F32 HydrophobicContact CG2-CE1 3.84Å; I16-F32 HydrophobicContact CG2-CZ 3.87Å; L18-F32 HydrophobicContact CD1-CE2 4.19Å; L18-F32 HydrophobicContact CD1-CZ 4.37Å; I28-F32 HydrophobicContact CG2-CD2 3.83Å; I28-F32 HydrophobicContact CG2-CE2 3.8Å; I28-F32 VanDerWaalsContact O-CD2 3.32Å; I28-F32 WeakPolarHBondContact O-CD2 3.32Å; I28-F32 PolarHBondContact O-N 3.13Å; I29-F32 PolarHBondContact O-N 3.26Å; F32-G36 WeakPolarHBondContact O-CA 3.42Å; F32-G36 PolarHBondContact O-N 3.49Å; F32-V39 HydrophobicContact CB-CG2 3.8Å; F32-I59 HydrophobicContact CD1-CD1 4.2Å; F32-I59 HydrophobicContact CD1-CG2 3.81Å; F32-I59 HydrophobicContact CD2-CD1 3.77Å; F32-I59 HydrophobicContact CE1-CD1 4.25Å; F32-I59 HydrophobicContact CE1-CG2 4.18Å; F32-I59 HydrophobicContact CE2-CD1 3.82Å; F32-I59 HydrophobicContact CG-CD1 3.95Å; F32-I59 HydrophobicContact CG-CG2 4.28Å; F32-I59 HydrophobicContact CZ-CD1 4.07Å; F32-L67 HydrophobicContact CE1-CD1 3.94Å; F32-T70 HydrophobicContact CD1-CG2 3.7Å; F32-T70 HydrophobicContact CE1-CG2 3.99Å; F32-T70 HydrophobicContact CG-CG2 4.05Å; F32-L71 HydrophobicContact CE1-CD2 4.09Å; F32-L71 HydrophobicContact CZ-CD2 3.82Å; F32-I74 HydrophobicContact CD2-CD1 4.24Å; F32-I74 HydrophobicContact CE2-CD1 3.74Å; F32-I74 HydrophobicContact CZ-CD1 4.07Å; F32-W107 HydrophobicContact CE2-CH2 4.24Å
33L94.1Very high93Very high25 Ų2531.8 Ų31.813%0.13118%0.18CC..Hα-helixtrans-64.9-44.6176.7-72.7168.4000112I29 D30 G37 V39 L124 E127I29-L33 HydrophobicContact CG2-CD1 3.76Å; I29-L33 HydrophobicContact CG2-CG 4.29Å; I29-L33 WeakPolarHBondContact O-CG 3.4Å; I29-L33 PolarHBondContact O-N 3.48Å; D30-L33 PolarHBondContact O-N 2.79Å; L33-G37 WeakPolarHBondContact O-CA 3.25Å; L33-G37 PolarHBondContact O-N 2.82Å; L33-V39 HydrophobicContact CD2-CB 3.98Å; L33-V39 HydrophobicContact CD2-CG2 3.87Å; L33-V39 HydrophobicContact CG-CB 4.5Å; L33-V39 HydrophobicContact CG-CG2 3.98Å; L33-L124 HydrophobicContact CD1-CD2 3.63Å; L33-E127 HydrophobicContact CD1-CB 4.14Å
34K93Very high93.4Very high136 Ų13628 Ų2859%0.59116%0.156SC*.Hα-helixtrans-67.1-38.1-179.4-76.4171.7173.8172.40113.8D30 K31D30-K34 WeakPolarHBondContact O-CB 3.45Å; D30-K34 VanDerWaalsContact O-CG 3.28Å; D30-K34 WeakPolarHBondContact O-CG 3.4Å; D30-K34 PolarHBondContact O-N 3.06Å; D30-K34 WeakPolarHBondContact OD1-CE 3.27Å; D30-K34 IonicContact OD1-NZ 3.37Å; D30-K34 WeakPolarHBondContact OD2-CE 3.43Å; D30-K34 IonicContact OD2-NZ 2.82Å; D30-K34 PolarHBondContact OD2-NZ 3.44Å; K31-K34 PolarHBondContact O-N 2.68Å
35I93.5Very high93.6Very high48 Ų4830 Ų3025%0.24616%0.163CC..Hα-helixtrans-87-50.5-176.7-61.9171.9000110.4K31 Y69 T70 K73 I74K31-I35 WeakPolarHBondContact O-CB 3.33Å; K31-I35 VanDerWaalsContact O-CG1 3.28Å; K31-I35 WeakPolarHBondContact O-CG1 3.49Å; K31-I35 PolarHBondContact O-N 3.1Å; I35-Y69 HydrophobicContact CG2-CD1 4.45Å; I35-Y69 HydrophobicContact CG2-CE1 4.17Å; I35-Y69 WeakPolarHBondContact O-CE1 3.49Å; I35-T70 HydrophobicContact CB-CG2 4.18Å; I35-T70 HydrophobicContact CG2-CG2 4.09Å; I35-K73 HydrophobicContact CD1-CB 4.42Å; I35-K73 HydrophobicContact CG2-CB 3.56Å; I35-K73 HydrophobicContact CG2-CG 4.07Å; I35-I74 HydrophobicContact CD1-CG1 3.85Å
36G90.5Very high93.6Very high15 Ų1531.4 Ų31.416%0.15517%0.172CC..Hα-helixtrans-88.5-11.2-173.800000115F32 S38 S66 T70F32-G36 WeakPolarHBondContact O-CA 3.42Å; F32-G36 PolarHBondContact O-N 3.49Å; G36-S38 PolarHBondContact O-N 3.33Å; G36-S38 VanDerWaalsContact O-N 3.16Å; G36-S66 PolarHBondContact O-OG 3.43Å; G36-T70 WeakPolarHBondContact CA-OG1 3.46Å
37G89.2Confident93.2Very high62 Ų6233.2 Ų33.264%0.63918%0.181SC*.SBendtrans77.8-17.6179.800000115.2L33L33-G37 WeakPolarHBondContact O-CA 3.25Å; L33-G37 PolarHBondContact O-N 2.82Å
38S90.7Very high92.1Very high36 Ų3637.3 Ų37.325%0.25220%0.198SC..  trans-158147.8-177.156.40000113.3G36 S62G36-S38 PolarHBondContact O-N 3.33Å; G36-S38 VanDerWaalsContact O-N 3.16Å; S38-S62 WeakPolarHBondContact OG-CB 3.32Å; S38-S62 PolarHBondContact OG-OG 2.9Å; S38-S62 VanDerWaalsContact OG-OG 3.09Å
39V95.7Very high90.5Very high7 Ų745.1 Ų45.14%0.04224%0.24CC..  trans-131112.4167.4174.30000107F32 L33 A42 I59F32-V39 HydrophobicContact CB-CG2 3.8Å; L33-V39 HydrophobicContact CD2-CB 3.98Å; L33-V39 HydrophobicContact CD2-CG2 3.87Å; L33-V39 HydrophobicContact CG-CB 4.5Å; L33-V39 HydrophobicContact CG-CG2 3.98Å; V39-A42 HydrophobicContact CG1-CB 4.34Å; V39-I59 HydrophobicContact CG1-CG2 3.78Å; V39-I59 HydrophobicContact CG2-CG2 4.09Å
40N95.3Very high88.8Confident71 Ų7147.5 Ų47.538%0.3827%0.265SS..SBendtrans-71.2-36.8-177.1-77.85.1000112.3Q60 S62N40-Q60 PolarHBondContact N-O 3.27Å; N40-S62 WeakPolarHBondContact ND2-CA 3.36Å
41R96.8Very high87.3Confident93 Ų9355.9 Ų55.935%0.35131%0.308SS..EExtended strand (participates in β ladder)trans-159.7139.8-178.6-173.4175.5-75.9-177.8-3.8109.9V43 Q60 S128R41-V43 HydrophobicContact CG-CG2 4.22Å; R41-Q60 HydrophobicContact CB-CB 4.27Å; R41-Q60 HydrophobicContact CB-CG 4.19Å; R41-Q60 PolarHBondContact O-N 2.96Å; R41-S128 CarbonylContact C-O 3.49Å; R41-S128 VanDerWaalsContact C-O 3.28Å; R41-S128 WeakPolarHBondContact CA-O 3.24Å
42A97.7Very high86.3Confident0 Ų061 Ų610%033%0.333CS..EExtended strand (participates in β ladder)trans-125.2142.7167.700000110.2I29 V39 L57 L58 S128 L130 S131I29-A42 HydrophobicContact CD1-CB 4.11Å; V39-A42 HydrophobicContact CG1-CB 4.34Å; A42-L57 HydrophobicContact CB-CD1 4.47Å; A42-L58 CarbonylContact C-O 3.57Å; A42-L58 VanDerWaalsContact CA-O 3.25Å; A42-L58 WeakPolarHBondContact CA-O 3.23Å; A42-S128 PolarHBondContact N-O 3.23Å; A42-L130 HydrophobicContact CB-CB 4.39Å; A42-L130 HydrophobicContact CB-CD1 3.62Å; A42-L130 WeakPolarHBondContact O-CA 3.24Å; A42-S131 PolarHBondContact O-N 2.7Å
43V96.9Very high85.6Confident1 Ų164.6 Ų64.61%0.00636%0.356CS..EExtended strand (participates in β ladder)trans-134.6126.7177.1-172.50000109R41 W45 L57 L58 S131 R133 Q168R41-V43 HydrophobicContact CG-CG2 4.22Å; V43-W45 HydrophobicContact CB-CE3 4.38Å; V43-W45 HydrophobicContact CB-CH2 3.77Å; V43-W45 HydrophobicContact CB-CZ2 4.43Å; V43-W45 HydrophobicContact CB-CZ3 3.74Å; V43-W45 HydrophobicContact CG1-CD2 4.1Å; V43-W45 HydrophobicContact CG1-CE3 3.95Å; V43-W45 HydrophobicContact CG1-CH2 3.5Å; V43-W45 VanDerWaalsContact CG1-CH2 3.5Å; V43-W45 HydrophobicContact CG1-CZ2 3.66Å; V43-W45 HydrophobicContact CG1-CZ3 3.64Å; V43-L57 WeakPolarHBondContact O-CA 3.43Å; V43-L58 HydrophobicContact CB-CB 4.33Å; V43-L58 HydrophobicContact CG2-CD2 4.42Å; V43-L58 PolarHBondContact N-O 2.9Å; V43-L58 PolarHBondContact O-N 3.08Å; V43-S131 WeakPolarHBondContact CA-O 3.46Å; V43-R133 HydrophobicContact CG1-CG 3.64Å; V43-Q168 HydrophobicContact CG2-CG 4.12Å
44Y95.9Very high85.5Confident8 Ų865 Ų653%0.03136%0.36CS..EExtended strand (participates in β ladder)trans-116.8122.9179.2-176.1-114.3000111.2C20 P22 V25 P46 G55 T56 L57 S131 R133C20-Y44 PolarHBondContact O-OH 3.02Å; P22-Y44 HydrophobicContact CB-CE1 4.24Å; P22-Y44 VanDerWaalsContact CD-OH 3.26Å; P22-Y44 WeakPolarHBondContact CD-OH 3.46Å; P22-Y44 HydrophobicContact CG-CE1 4.22Å; P22-Y44 WeakPolarHBondContact CG-OH 3.48Å; V25-Y44 HydrophobicContact CG2-CD1 4.21Å; V25-Y44 HydrophobicContact CG2-CD2 3.56Å; V25-Y44 HydrophobicContact CG2-CE1 4.27Å; V25-Y44 HydrophobicContact CG2-CE2 3.63Å; V25-Y44 HydrophobicContact CG2-CG 3.87Å; Y44-P46 HydrophobicContact CE1-CB 3.98Å; Y44-P46 WeakPolarHBondContact O-CD 3.24Å; Y44-G55 WeakPolarHBondContact OH-CA 3.47Å; Y44-G55 PolarHBondContact OH-N 3.19Å; Y44-G55 VanDerWaalsContact OH-N 3.15Å; Y44-T56 CarbonylContact C-O 3.48Å; Y44-T56 WeakPolarHBondContact CA-O 3.37Å; Y44-T56 WeakPolarHBondContact CD2-O 3.26Å; Y44-L57 HydrophobicContact CD2-CB 4.04Å; Y44-L57 HydrophobicContact CD2-CD1 4.32Å; Y44-S131 PolarHBondContact N-O 2.91Å; Y44-R133 PolarHBondContact O-N 2.74Å
45W94.2Very high85.5Confident44 Ų4458.6 Ų58.617%0.16733%0.332CS..EExtended strand (participates in β ladder)trans-103.9104.1172.3-65.8-102.6000109.4V43 G55 T56 L58 R133 Q168 D169 A172V43-W45 HydrophobicContact CB-CE3 4.38Å; V43-W45 HydrophobicContact CB-CH2 3.77Å; V43-W45 HydrophobicContact CB-CZ2 4.43Å; V43-W45 HydrophobicContact CB-CZ3 3.74Å; V43-W45 HydrophobicContact CG1-CD2 4.1Å; V43-W45 HydrophobicContact CG1-CE3 3.95Å; V43-W45 HydrophobicContact CG1-CH2 3.5Å; V43-W45 VanDerWaalsContact CG1-CH2 3.5Å; V43-W45 HydrophobicContact CG1-CZ2 3.66Å; V43-W45 HydrophobicContact CG1-CZ3 3.64Å; W45-G55 CarbonylContact O-C 3.43Å; W45-G55 WeakPolarHBondContact O-CA 3.5Å; W45-T56 PolarHBondContact N-O 3.36Å; W45-T56 PolarHBondContact O-N 3.41Å; W45-L58 HydrophobicContact CH2-CB 4.1Å; W45-L58 HydrophobicContact CH2-CD2 4.1Å; W45-L58 HydrophobicContact CZ3-CB 3.62Å; W45-L58 HydrophobicContact CZ3-CD2 4.48Å; W45-R133 HydrophobicContact CD2-CG 4.34Å; W45-R133 HydrophobicContact CG-CB 4.09Å; W45-R133 HydrophobicContact CG-CG 4.29Å; W45-Q168 HydrophobicContact CH2-CB 3.93Å; W45-Q168 HydrophobicContact CZ2-CB 3.59Å; W45-D169 PolarHBondContact NE1-OD1 3.49Å; W45-A172 HydrophobicContact CH2-CB 4.42Å
46P90.8Very high85.5Confident38 Ų3856.7 Ų56.725%0.24732%0.322CS..EExtended strand (participates in β ladder)trans-68.9136.5174.928.7-32.2000110.5Y44 R133Y44-P46 HydrophobicContact CE1-CB 3.98Å; Y44-P46 WeakPolarHBondContact O-CD 3.24Å; P46-R133 WeakPolarHBondContact CD-O 3.33Å; P46-R133 WeakPolarHBondContact CG-O 3.3Å
47L84.1Confident85.9Confident58 Ų5856 Ų5630%0.30432%0.315SS..PPolyproline II helixtrans-86123.4169-62.4157.6000109.1V54 K293L47-V54 WeakPolarHBondContact CB-O 3.32Å; L47-V54 HydrophobicContact CD1-CG2 3.98Å; L47-V54 PolarHBondContact N-O 3.14Å; L47-K293 VanDerWaalsContact CD1-CE 3.44Å; L47-K293 HydrophobicContact CD1-CG 4.42Å; L47-K293 HydrophobicContact CD2-CG 3.63Å
48K68.7Low86.3Confident89 Ų8953 Ų5339%0.38728%0.284SS..SBendtrans-72.5133.8166.4-84.9175.5166.6170.20108.6S135 E141K48-S135 WeakPolarHBondContact CD-OG 3.23Å; K48-S135 WeakPolarHBondContact CE-OG 3.42Å; K48-S135 VanDerWaalsContact CG-OG 3.29Å; K48-S135 WeakPolarHBondContact CG-OG 3.38Å; K48-E141 IonicContact NZ-OE1 2.82Å; K48-E141 PolarHBondContact NZ-OE1 3.23Å; K48-E141 IonicContact NZ-OE2 3.29Å; K48-E141 PolarHBondContact NZ-OE2 2.72Å
49N60.2Low86.7Confident163 Ų16351.3 Ų51.387%0.87227%0.272SS*.SBendtrans82.869.8166.6-48.6-24.2000117.5
50G56.9Low86.8Confident52 Ų5251.5 Ų51.554%0.53627%0.273SS..  trans-136.3154.3161.200000111.2Q52G50-Q52 PolarHBondContact O-N 3.47Å
51I62.6Low86.9Confident185 Ų18548.1 Ų48.195%0.94926%0.255SS*.SBendtrans-56.6-32.2170.6-61.4170.6000110.1
52Q69.8Low86.8Confident149 Ų14945.9 Ų45.970%0.69625%0.253SS*.SBendtrans-116.8121.9167-68.8-179.8-7.100109.1G50 V54G50-Q52 PolarHBondContact O-N 3.47Å; Q52-V54 PolarHBondContact O-N 2.65Å
53P81.7Confident86.7Confident77 Ų7747.5 Ų47.550%0.527%0.265SS..  trans-69.4117176.928.2-32.3000108.9S21 P22S21-P53 WeakPolarHBondContact CA-O 3.31Å; P22-P53 WeakPolarHBondContact CD-O 3.43Å; P22-P53 HydrophobicContact CG-CB 4.23Å
54V90.2Very high86.7Confident34 Ų3448.7 Ų48.721%0.20627%0.273CS..  trans-122.4162.2171.2-700000109.1T19 C20 L47 Q52 P104T19-V54 HydrophobicContact CG2-CB 4.15Å; C20-V54 CarbonylContact O-C 3.56Å; C20-V54 WeakPolarHBondContact O-CA 3.34Å; L47-V54 WeakPolarHBondContact CB-O 3.32Å; L47-V54 HydrophobicContact CD1-CG2 3.98Å; L47-V54 PolarHBondContact N-O 3.14Å; Q52-V54 PolarHBondContact O-N 2.65Å; V54-P104 HydrophobicContact CG1-CB 4Å; V54-P104 HydrophobicContact CG1-CG 4.16Å
55G93Very high86.6Confident0 Ų053.7 Ų53.70%030%0.296CS..EExtended strand (participates in β ladder)trans-154179.6176.200000110.5T19 C20 Y44 W45T19-G55 WeakPolarHBondContact CA-O 3.44Å; C20-G55 PolarHBondContact N-O 3Å; C20-G55 PolarHBondContact O-N 3.34Å; Y44-G55 WeakPolarHBondContact OH-CA 3.47Å; Y44-G55 PolarHBondContact OH-N 3.19Å; Y44-G55 VanDerWaalsContact OH-N 3.15Å; W45-G55 CarbonylContact O-C 3.43Å; W45-G55 WeakPolarHBondContact O-CA 3.5Å
56T95.6Very high86.7Confident8 Ų852.6 Ų52.65%0.04930%0.295CS..EExtended strand (participates in β ladder)trans-105.1125.5179.9-540000108.7L17 L18 Y44 W45 I291 L292L17-T56 HydrophobicContact CD2-CG2 3.84Å; L18-T56 CarbonylContact O-C 3.53Å; L18-T56 WeakPolarHBondContact O-CA 3.37Å; Y44-T56 CarbonylContact C-O 3.48Å; Y44-T56 WeakPolarHBondContact CA-O 3.37Å; Y44-T56 WeakPolarHBondContact CD2-O 3.26Å; W45-T56 PolarHBondContact N-O 3.36Å; W45-T56 PolarHBondContact O-N 3.41Å; T56-I291 HydrophobicContact CG2-CD1 3.87Å; T56-I291 HydrophobicContact CG2-CG1 4.07Å; T56-I291 WeakPolarHBondContact CG2-O 3.33Å; T56-I291 PolarHBondContact OG1-O 2.82Å; T56-L292 HydrophobicContact CG2-CD2 4.48Å
57L97.4Very high87Confident0 Ų050.8 Ų50.80%028%0.284CS..EExtended strand (participates in β ladder)trans-108.7118.8175.8-178.862.9000109.2L17 L18 V25 I28 A42 V43 Y44 I59 L130L17-L57 WeakPolarHBondContact CA-O 3.47Å; L18-L57 HydrophobicContact CB-CB 4.47Å; L18-L57 PolarHBondContact N-O 3.28Å; L18-L57 PolarHBondContact O-N 3.21Å; V25-L57 HydrophobicContact CG1-CD1 4.04Å; V25-L57 HydrophobicContact CG1-CD2 4.36Å; I28-L57 HydrophobicContact CB-CD2 4.13Å; I28-L57 HydrophobicContact CD1-CD2 4.15Å; I28-L57 HydrophobicContact CG2-CD2 3.92Å; A42-L57 HydrophobicContact CB-CD1 4.47Å; V43-L57 WeakPolarHBondContact O-CA 3.43Å; Y44-L57 HydrophobicContact CD2-CB 4.04Å; Y44-L57 HydrophobicContact CD2-CD1 4.32Å; L57-I59 HydrophobicContact CD1-CG1 4.44Å; L57-I59 HydrophobicContact CD2-CD1 3.86Å; L57-I59 HydrophobicContact CD2-CG1 4.06Å; L57-I59 HydrophobicContact CG-CD1 4.24Å; L57-I59 HydrophobicContact CG-CG1 3.88Å; L57-L130 HydrophobicContact CD1-CD1 4.41Å
58L98.3Very high87.5Confident0 Ų052.5 Ų52.50%029%0.286CS..EExtended strand (participates in β ladder)trans-94.8127.4166.4176.676.7000108.6I16 L17 A42 V43 W45 L171 V175I16-L58 WeakPolarHBondContact O-CA 3.43Å; L17-L58 HydrophobicContact CD2-CB 3.79Å; L17-L58 HydrophobicContact CD2-CD1 3.66Å; L17-L58 HydrophobicContact CD2-CG 4.34Å; L17-L58 HydrophobicContact CG-CD1 4.13Å; A42-L58 CarbonylContact C-O 3.57Å; A42-L58 VanDerWaalsContact CA-O 3.25Å; A42-L58 WeakPolarHBondContact CA-O 3.23Å; V43-L58 HydrophobicContact CB-CB 4.33Å; V43-L58 HydrophobicContact CG2-CD2 4.42Å; V43-L58 PolarHBondContact N-O 2.9Å; V43-L58 PolarHBondContact O-N 3.08Å; W45-L58 HydrophobicContact CH2-CB 4.1Å; W45-L58 HydrophobicContact CH2-CD2 4.1Å; W45-L58 HydrophobicContact CZ3-CB 3.62Å; W45-L58 HydrophobicContact CZ3-CD2 4.48Å; L58-L171 HydrophobicContact CD2-CD2 4.01Å; L58-L171 HydrophobicContact CD2-CG 4.34Å; L58-V175 HydrophobicContact CD1-CG2 3.76Å
59I98.3Very high88.7Confident0 Ų054.3 Ų54.30%029%0.291CS..EExtended strand (participates in β ladder)trans-119.6130.4172.8-56.4179.7000108.3S15 I16 L18 I28 F32 V39 L57S15-I59 CarbonylContact C-O 3.54Å; S15-I59 WeakPolarHBondContact CA-O 3.28Å; I16-I59 HydrophobicContact CG2-CB 3.84Å; I16-I59 PolarHBondContact N-O 3.46Å; I16-I59 PolarHBondContact O-N 3.33Å; L18-I59 HydrophobicContact CD1-CD1 4.27Å; I28-I59 HydrophobicContact CG2-CD1 3.65Å; F32-I59 HydrophobicContact CD1-CD1 4.2Å; F32-I59 HydrophobicContact CD1-CG2 3.81Å; F32-I59 HydrophobicContact CD2-CD1 3.77Å; F32-I59 HydrophobicContact CE1-CD1 4.25Å; F32-I59 HydrophobicContact CE1-CG2 4.18Å; F32-I59 HydrophobicContact CE2-CD1 3.82Å; F32-I59 HydrophobicContact CG-CD1 3.95Å; F32-I59 HydrophobicContact CG-CG2 4.28Å; F32-I59 HydrophobicContact CZ-CD1 4.07Å; V39-I59 HydrophobicContact CG1-CG2 3.78Å; V39-I59 HydrophobicContact CG2-CG2 4.09Å; L57-I59 HydrophobicContact CD1-CG1 4.44Å; L57-I59 HydrophobicContact CD2-CD1 3.86Å; L57-I59 HydrophobicContact CD2-CG1 4.06Å; L57-I59 HydrophobicContact CG-CD1 4.24Å; L57-I59 HydrophobicContact CG-CG1 3.88Å
60Q97.8Very high90.4Very high11 Ų1146.6 Ų46.65%0.05125%0.25CS..EExtended strand (participates in β ladder)trans-109118.8173.9-50.8-174-8.600109.6S15 N40 R41S15-Q60 WeakPolarHBondContact OG-CG 3.42Å; N40-Q60 PolarHBondContact N-O 3.27Å; R41-Q60 HydrophobicContact CB-CB 4.27Å; R41-Q60 HydrophobicContact CB-CG 4.19Å; R41-Q60 PolarHBondContact O-N 2.96Å
61S97.3Very high92.1Very high1 Ų144.3 Ų44.31%0.00723%0.225CC..  trans-82.5171.3171.4-62.50000111.3R14R14-S61 WeakPolarHBondContact CD-O 3.41Å; R14-S61 PolarHBondContact O-N 3.34Å
62S94.9Very high93.5Very high45 Ų4539.6 Ų39.632%0.31520%0.199SC..SBendtrans-64-42.7176.449.60000113R14 S38 N40R14-S62 PolarHBondContact NH1-O 2.58Å; S38-S62 WeakPolarHBondContact OG-CB 3.32Å; S38-S62 PolarHBondContact OG-OG 2.9Å; S38-S62 VanDerWaalsContact OG-OG 3.09Å; N40-S62 WeakPolarHBondContact ND2-CA 3.36Å
63S95.8Very high94.5Very high34 Ų3438.2 Ų38.224%0.23819%0.191CC..SBendtrans-142.5163.8177.389.50000112.5E65 S66 L67S63-E65 VanDerWaalsContact CB-OE2 3.28Å; S63-E65 WeakPolarHBondContact CB-OE2 3.43Å; S63-E65 PolarHBondContact O-N 3.33Å; S63-E65 PolarHBondContact OG-N 3.01Å; S63-E65 PolarHBondContact OG-OE2 3.05Å; S63-S66 PolarHBondContact O-N 2.93Å; S63-S66 PolarHBondContact OG-N 3.26Å; S63-L67 PolarHBondContact O-N 3.36Å
64P96.3Very high94.9Very high27 Ų2734.8 Ų34.818%0.17517%0.168CC..Hα-helixtrans-57.6-35.5172-24.535.6000113.1R13 R14 L67 R68R13-P64 HydrophobicContact CB-CB 4.42Å; R13-P64 HydrophobicContact CB-CG 3.93Å; R13-P64 WeakPolarHBondContact O-CB 3.5Å; R14-P64 HydrophobicContact CB-CG 4.24Å; P64-L67 PolarHBondContact O-N 3.09Å; P64-R68 WeakPolarHBondContact O-CB 3.41Å; P64-R68 VanDerWaalsContact O-CG 3.32Å; P64-R68 WeakPolarHBondContact O-CG 3.36Å; P64-R68 PolarHBondContact O-N 3.43Å
65E95.3Very high94.6Very high113 Ų11337.7 Ų37.753%0.52819%0.188SC..Hα-helixtrans-68.4-45.3179.6-59.764.9-13400111.2S63 L67 R68 Y69S63-E65 VanDerWaalsContact CB-OE2 3.28Å; S63-E65 WeakPolarHBondContact CB-OE2 3.43Å; S63-E65 PolarHBondContact O-N 3.33Å; S63-E65 PolarHBondContact OG-N 3.01Å; S63-E65 PolarHBondContact OG-OE2 3.05Å; E65-L67 VanDerWaalsContact C-N 3.31Å; E65-L67 PolarHBondContact O-N 3.22Å; E65-R68 PolarHBondContact O-N 2.82Å; E65-R68 IonicContact OE1-NH1 2.68Å; E65-Y69 WeakPolarHBondContact O-CB 3.26Å; E65-Y69 PolarHBondContact O-N 3.08Å
66S95.7Very high94.2Very high20 Ų2039.3 Ų39.314%0.1420%0.199CC..Hα-helixtrans-59.9-43174.3172.50000111G36 S63 T70G36-S66 PolarHBondContact O-OG 3.43Å; S63-S66 PolarHBondContact O-N 2.93Å; S63-S66 PolarHBondContact OG-N 3.26Å; S66-T70 WeakPolarHBondContact O-CB 3.4Å; S66-T70 PolarHBondContact O-N 3.42Å; S66-T70 PolarHBondContact O-OG1 3.46Å
67L97.1Very high93.8Very high1 Ų139.9 Ų39.91%0.00520%0.202CC..Hα-helixtrans-60.8-53.4174.7179.860.1000110.8R14 S15 I16 F32 S63 P64 E65 Y69 T70 L71 R99R14-L67 VanDerWaalsContact C-CD2 3.45Å; S15-L67 WeakPolarHBondContact O-CD2 3.31Å; I16-L67 HydrophobicContact CB-CD1 4.32Å; I16-L67 HydrophobicContact CG2-CD1 4.05Å; F32-L67 HydrophobicContact CE1-CD1 3.94Å; S63-L67 PolarHBondContact O-N 3.36Å; P64-L67 PolarHBondContact O-N 3.09Å; E65-L67 VanDerWaalsContact C-N 3.31Å; E65-L67 PolarHBondContact O-N 3.22Å; L67-Y69 VanDerWaalsContact C-N 3.33Å; L67-Y69 PolarHBondContact O-N 3.44Å; L67-T70 WeakPolarHBondContact O-CA 3.44Å; L67-T70 WeakPolarHBondContact O-CB 3.32Å; L67-T70 PolarHBondContact O-N 3.43Å; L67-L71 HydrophobicContact CD1-CD1 4Å; L67-L71 HydrophobicContact CD1-CD2 3.98Å; L67-L71 HydrophobicContact CD1-CG 3.87Å; L67-L71 HydrophobicContact CG-CD1 3.95Å; L67-L71 HydrophobicContact CG-CG 4.18Å; L67-L71 WeakPolarHBondContact O-CG 3.43Å; L67-L71 PolarHBondContact O-N 2.87Å; L67-R99 HydrophobicContact CD2-CG 4.36Å
68R94.1Very high92.9Very high93 Ų9344.4 Ų44.435%0.35122%0.223SC..Hα-helixtrans-55.3-49.5179.9-74.4-178.8-165.1112.20111P64 E65 T70 L71 H72 E182P64-R68 WeakPolarHBondContact O-CB 3.41Å; P64-R68 VanDerWaalsContact O-CG 3.32Å; P64-R68 WeakPolarHBondContact O-CG 3.36Å; P64-R68 PolarHBondContact O-N 3.43Å; E65-R68 PolarHBondContact O-N 2.82Å; E65-R68 IonicContact OE1-NH1 2.68Å; R68-T70 VanDerWaalsContact C-N 3.27Å; R68-T70 PolarHBondContact O-N 2.8Å; R68-L71 PolarHBondContact O-N 3.18Å; R68-H72 PolarHBondContact O-N 3Å; R68-H72 PolarHBondContact O-ND1 2.88Å; R68-E182 IonicContact CZ-OE1 3.53Å; R68-E182 IonicContact NE-OE1 2.68Å; R68-E182 PolarHBondContact NE-OE1 3.01Å; R68-E182 IonicContact NH2-OE1 2.81Å; R68-E182 PolarHBondContact NH2-OE1 2.85Å
69Y94.3Very high92.1Very high128 Ų12845.3 Ų45.350%0.50223%0.229SC..Hα-helixtrans-53.7-47.1176.5175.8-97.9000111.6I35 E65 L67 H72 K73I35-Y69 HydrophobicContact CG2-CD1 4.45Å; I35-Y69 HydrophobicContact CG2-CE1 4.17Å; I35-Y69 WeakPolarHBondContact O-CE1 3.49Å; E65-Y69 WeakPolarHBondContact O-CB 3.26Å; E65-Y69 PolarHBondContact O-N 3.08Å; L67-Y69 VanDerWaalsContact C-N 3.33Å; L67-Y69 PolarHBondContact O-N 3.44Å; Y69-H72 PolarHBondContact O-N 3.23Å; Y69-K73 HydrophobicContact CE1-CG 4.35Å; Y69-K73 HydrophobicContact CE2-CG 4.35Å; Y69-K73 WeakPolarHBondContact O-CG 3.39Å; Y69-K73 PolarHBondContact O-N 3.26Å
70T95.2Very high91.5Very high1 Ų145.7 Ų45.71%0.00623%0.231CC..Hα-helixtrans-59.3-50.2178.8-55.90000112F32 I35 G36 S66 L67 R68 H72 K73 I74F32-T70 HydrophobicContact CD1-CG2 3.7Å; F32-T70 HydrophobicContact CE1-CG2 3.99Å; F32-T70 HydrophobicContact CG-CG2 4.05Å; I35-T70 HydrophobicContact CB-CG2 4.18Å; I35-T70 HydrophobicContact CG2-CG2 4.09Å; G36-T70 WeakPolarHBondContact CA-OG1 3.46Å; S66-T70 WeakPolarHBondContact O-CB 3.4Å; S66-T70 PolarHBondContact O-N 3.42Å; S66-T70 PolarHBondContact O-OG1 3.46Å; L67-T70 WeakPolarHBondContact O-CA 3.44Å; L67-T70 WeakPolarHBondContact O-CB 3.32Å; L67-T70 PolarHBondContact O-N 3.43Å; R68-T70 VanDerWaalsContact C-N 3.27Å; R68-T70 PolarHBondContact O-N 2.8Å; T70-H72 VanDerWaalsContact C-N 3.32Å; T70-H72 PolarHBondContact O-N 2.75Å; T70-K73 PolarHBondContact O-N 3.22Å; T70-K73 VanDerWaalsContact O-N 3.12Å; T70-I74 HydrophobicContact CG2-CD1 4.1Å; T70-I74 WeakPolarHBondContact O-CG1 3.45Å; T70-I74 PolarHBondContact O-N 3.46Å
71L94.1Very high91Very high3 Ų346.9 Ų46.92%0.01624%0.236CC..Hα-helixtrans-63.9-36.6-178.1-59.1-178.4000112.4I16 F32 L67 R68 K73 I74 L77 M97 R99I16-L71 HydrophobicContact CD1-CD1 4.05Å; I16-L71 HydrophobicContact CD1-CD2 3.37Å; I16-L71 HydrophobicContact CD1-CG 4.36Å; F32-L71 HydrophobicContact CE1-CD2 4.09Å; F32-L71 HydrophobicContact CZ-CD2 3.82Å; L67-L71 HydrophobicContact CD1-CD1 4Å; L67-L71 HydrophobicContact CD1-CD2 3.98Å; L67-L71 HydrophobicContact CD1-CG 3.87Å; L67-L71 HydrophobicContact CG-CD1 3.95Å; L67-L71 HydrophobicContact CG-CG 4.18Å; L67-L71 WeakPolarHBondContact O-CG 3.43Å; L67-L71 PolarHBondContact O-N 2.87Å; R68-L71 PolarHBondContact O-N 3.18Å; L71-K73 PolarHBondContact O-N 3.36Å; L71-I74 PolarHBondContact O-N 2.87Å; L71-L77 HydrophobicContact CB-CD1 4.11Å; L71-L77 HydrophobicContact CD2-CD1 3.62Å; L71-L77 HydrophobicContact CG-CD1 4.4Å; L71-M97 HydrophobicContact CB-CB 4Å; L71-M97 HydrophobicContact CB-CG 3.88Å; L71-M97 HydrophobicContact CD1-CB 4Å; L71-R99 HydrophobicContact CD1-CG 3.84Å
72H90.6Very high90.5Very high86 Ų8646.8 Ų46.840%0.39824%0.236SC..Hα-helixtrans-66.6-22.1177.7-76.476.3000113.4R68 Y69 T70 R94R68-H72 PolarHBondContact O-N 3Å; R68-H72 PolarHBondContact O-ND1 2.88Å; Y69-H72 PolarHBondContact O-N 3.23Å; T70-H72 VanDerWaalsContact C-N 3.32Å; T70-H72 PolarHBondContact O-N 2.75Å; H72-R94 VanDerWaalsContact CD2-CZ 3.47Å; H72-R94 PolarHBondContact CD2-NH2 2.89Å
73K91.6Very high90.1Very high121 Ų12145 Ų4553%0.52622%0.223SC..THydrogen-bonded Turntrans-95.6-4.9-179.3-69.2-69.3-173.1179.90113.3I35 Y69 T70 L71 P75I35-K73 HydrophobicContact CD1-CB 4.42Å; I35-K73 HydrophobicContact CG2-CB 3.56Å; I35-K73 HydrophobicContact CG2-CG 4.07Å; Y69-K73 HydrophobicContact CE1-CG 4.35Å; Y69-K73 HydrophobicContact CE2-CG 4.35Å; Y69-K73 WeakPolarHBondContact O-CG 3.39Å; Y69-K73 PolarHBondContact O-N 3.26Å; T70-K73 PolarHBondContact O-N 3.22Å; T70-K73 VanDerWaalsContact O-N 3.12Å; L71-K73 PolarHBondContact O-N 3.36Å; K73-P75 WeakPolarHBondContact O-CD 3.41Å
74I90.1Very high89.5Confident4 Ų443.4 Ų43.42%0.02121%0.212CC..  trans-92108.9177.3-66.4168.7000108.8F32 I35 T70 L71 S76 L77 W107F32-I74 HydrophobicContact CD2-CD1 4.24Å; F32-I74 HydrophobicContact CE2-CD1 3.74Å; F32-I74 HydrophobicContact CZ-CD1 4.07Å; I35-I74 HydrophobicContact CD1-CG1 3.85Å; T70-I74 HydrophobicContact CG2-CD1 4.1Å; T70-I74 WeakPolarHBondContact O-CG1 3.45Å; T70-I74 PolarHBondContact O-N 3.46Å; L71-I74 PolarHBondContact O-N 2.87Å; I74-S76 PolarHBondContact O-N 3.3Å; I74-L77 HydrophobicContact CB-CD1 4.12Å; I74-L77 HydrophobicContact CB-CG 4.35Å; I74-L77 HydrophobicContact CD1-CD1 4.35Å; I74-L77 HydrophobicContact CG2-CD1 4.16Å; I74-L77 HydrophobicContact CG2-CG 3.97Å; I74-L77 PolarHBondContact O-N 2.99Å; I74-L77 VanDerWaalsContact O-N 3.15Å; I74-W107 HydrophobicContact CD1-CH2 4.27Å; I74-W107 HydrophobicContact CG2-CH2 4.01Å; I74-W107 HydrophobicContact CG2-CZ3 4.15Å
75P84.1Confident88.6Confident96 Ų9646.4 Ų46.462%0.62323%0.226SC*.THydrogen-bonded Turntrans-64.4-27-173.8-22.634.8000114K73 L77K73-P75 WeakPolarHBondContact O-CD 3.41Å; P75-L77 PolarHBondContact O-N 3.43Å
76S85.2Confident87.4Confident34 Ų3442 Ų4224%0.23821%0.208CC..THydrogen-bonded Turntrans-66.8-18.7179-53.10000113.6I74 H78 I106I74-S76 PolarHBondContact O-N 3.3Å; S76-H78 PolarHBondContact O-ND1 2.88Å; S76-I106 WeakPolarHBondContact CB-O 3.45Å; S76-I106 PolarHBondContact OG-O 2.82Å; S76-I106 VanDerWaalsContact OG-O 3.09Å
77L85.6Confident86.2Confident20 Ų2049 Ų4911%0.10524%0.239CC..SBendtrans-91.7112.3179.1-65.7177000109.8L71 I74 P75 I106L71-L77 HydrophobicContact CB-CD1 4.11Å; L71-L77 HydrophobicContact CD2-CD1 3.62Å; L71-L77 HydrophobicContact CG-CD1 4.4Å; I74-L77 HydrophobicContact CB-CD1 4.12Å; I74-L77 HydrophobicContact CB-CG 4.35Å; I74-L77 HydrophobicContact CD1-CD1 4.35Å; I74-L77 HydrophobicContact CG2-CD1 4.16Å; I74-L77 HydrophobicContact CG2-CG 3.97Å; I74-L77 PolarHBondContact O-N 2.99Å; I74-L77 VanDerWaalsContact O-N 3.15Å; P75-L77 PolarHBondContact O-N 3.43Å; L77-I106 HydrophobicContact CD2-CD1 3.96Å
78H79.5Confident84.8Confident95 Ų9553.1 Ų53.144%0.4428%0.282SS..  trans-76136.9-174.3-67.474.3000111.7S76S76-H78 PolarHBondContact O-ND1 2.88Å
79C81.4Confident83.8Confident18 Ų1854.3 Ų54.312%0.12229%0.289CS..  trans-82.3139.4171.4178.20000111.6H81 R94 M97 K242C79-H81 PolarHBondContact SG-CE1 3.06Å; C79-R94 WeakPolarHBondContact SG-CD 3.33Å; C79-R94 WeakPolarHBondContact SG-CG 3.06Å; C79-R94 VanDerWaalsContact SG-CZ 3.55Å; C79-R94 PolarHBondContact SG-NE 3.11Å; C79-M97 HydrophobicContact CB-CE 3.95Å; C79-K242 PolarHBondContact O-N 3.3Å
80I85.1Confident82.9Confident9 Ų955.3 Ų55.35%0.04630%0.296CS..EExtended strand (participates in β ladder)trans-112.8134.8174.9-54-152.3000109.7L95 K242 I244 K265 L266I80-L95 HydrophobicContact CB-CD1 4.26Å; I80-L95 HydrophobicContact CG2-CD1 3.92Å; I80-L95 WeakPolarHBondContact O-CB 3.32Å; I80-L95 PolarHBondContact O-N 3.34Å; I80-K242 WeakPolarHBondContact CA-O 3.29Å; I80-K242 HydrophobicContact CD1-CB 4.09Å; I80-K242 HydrophobicContact CD1-CD 4.04Å; I80-K242 HydrophobicContact CG1-CB 4.15Å; I80-K242 HydrophobicContact CG2-CB 4.37Å; I80-K242 WeakPolarHBondContact CG2-O 3.4Å; I80-I244 HydrophobicContact CG2-CD1 3.55Å; I80-I244 HydrophobicContact CG2-CG1 3.9Å; I80-K265 HydrophobicContact CD1-CB 4.3Å; I80-L266 HydrophobicContact CB-CD2 4.38Å; I80-L266 HydrophobicContact CD1-CB 4.38Å; I80-L266 HydrophobicContact CD1-CD2 3.53Å; I80-L266 HydrophobicContact CD1-CG 3.97Å; I80-L266 HydrophobicContact CG1-CD2 4.08Å
81H87.1Confident82.3Confident35 Ų3556 Ų5616%0.16230%0.301CS..EExtended strand (participates in β ladder)trans-108.3139.9174.2-69.277.7000110.2C79 M92 F93 T241 K242 I243 I244C79-H81 PolarHBondContact SG-CE1 3.06Å; H81-M92 HydrophobicContact CB-CG 3.89Å; H81-M92 HydrophobicContact CB-SD 3.94Å; H81-F93 CarbonylContact C-O 3.59Å; H81-F93 VanDerWaalsContact CA-O 3.31Å; H81-F93 WeakPolarHBondContact CA-O 3.37Å; H81-T241 WeakPolarHBondContact CE1-CG2 3.17Å; H81-T241 VanDerWaalsContact ND1-CG2 3.29Å; H81-T241 WeakPolarHBondContact ND1-CG2 3.38Å; H81-K242 PolarHBondContact N-O 3.33Å; H81-I243 CarbonylContact O-C 3.53Å; H81-I243 WeakPolarHBondContact O-CA 3.39Å; H81-I244 PolarHBondContact O-N 2.92Å
82C86.7Confident81.8Confident0 Ų058.9 Ų58.90%032%0.315CS..EExtended strand (participates in β ladder)trans-98.1141.9167.8-83.50000109.6M92 F93 L95 I244 L246C82-M92 CarbonylContact O-C 3Å; C82-M92 VanDerWaalsContact O-CA 3.24Å; C82-M92 WeakPolarHBondContact O-CA 3.3Å; C82-M92 WeakPolarHBondContact O-CG 3.48Å; C82-F93 HydrophobicContact CB-CD1 4.09Å; C82-F93 HydrophobicContact CB-CD2 4.25Å; C82-F93 HydrophobicContact CB-CE1 3.55Å; C82-F93 HydrophobicContact CB-CE2 3.75Å; C82-F93 HydrophobicContact CB-CG 4.42Å; C82-F93 HydrophobicContact CB-CZ 3.37Å; C82-F93 PolarHBondContact N-O 2.85Å; C82-F93 PolarHBondContact O-N 3.05Å; C82-L95 HydrophobicContact CB-CD2 4.48Å; C82-I244 CarbonylContact C-O 3.58Å; C82-I244 WeakPolarHBondContact CA-O 3.24Å; C82-L246 HydrophobicContact CB-CD1 3.94Å; C82-L246 HydrophobicContact CB-CG 4.42Å
83V86.9Confident81.5Confident7 Ų756.3 Ų56.34%0.04230%0.303CS..EExtended strand (participates in β ladder)trans-121.2126.5174.7172.20000108.1K90 S91 M92 I243 I244 L246V83-K90 HydrophobicContact CG1-CD 4.27Å; V83-K90 VanDerWaalsContact CG1-CE 3.41Å; V83-K90 HydrophobicContact CG1-CG 3.94Å; V83-S91 WeakPolarHBondContact CA-O 3.34Å; V83-M92 HydrophobicContact CG2-CB 4.19Å; V83-M92 HydrophobicContact CG2-CE 3.44Å; V83-M92 VanDerWaalsContact CG2-CE 3.44Å; V83-M92 HydrophobicContact CG2-CG 3.91Å; V83-M92 HydrophobicContact CG2-SD 4.47Å; V83-I243 HydrophobicContact CB-CG2 4.13Å; V83-I243 HydrophobicContact CG2-CG2 3.55Å; V83-I244 PolarHBondContact N-O 2.99Å; V83-L246 PolarHBondContact O-N 2.95Å
84V83Confident81.3Confident0 Ų054.8 Ų54.80%029%0.294CS..EExtended strand (participates in β ladder)trans-110.7132.2173-175.70000107.7K90 S91 F93 L223 L226 L246V84-K90 WeakPolarHBondContact O-CA 3.4Å; V84-S91 PolarHBondContact N-O 3.38Å; V84-S91 PolarHBondContact O-N 3.36Å; V84-F93 HydrophobicContact CG2-CE1 3.96Å; V84-L223 HydrophobicContact CG1-CB 3.93Å; V84-L223 HydrophobicContact CG1-CD1 4.18Å; V84-L223 HydrophobicContact CG2-CD1 4.45Å; V84-L226 HydrophobicContact CG2-CB 4.05Å; V84-L226 HydrophobicContact CG2-CD1 3.88Å; V84-L246 HydrophobicContact CG2-CB 4Å; V84-L246 HydrophobicContact CG2-CD1 3.5Å; V84-L246 HydrophobicContact CG2-CG 4.25Å
85N78Confident81.3Confident90 Ų9054.7 Ų54.748%0.48129%0.293SS..EExtended strand (participates in β ladder)trans-113.7104.2167.4-62.2-38.5000107.3K90N85-K90 VanDerWaalsContact OD1-CG 3.29Å; N85-K90 WeakPolarHBondContact OD1-CG 3.36Å
86S70Confident81.6Confident21 Ų2151.7 Ų51.715%0.14727%0.274CS..EExtended strand (participates in β ladder)trans-127.4129175.5-171.50000108.9G88 K89 Q224S86-G88 PolarHBondContact O-N 3.35Å; S86-K89 PolarHBondContact N-O 3.25Å; S86-K89 VanDerWaalsContact N-O 3.08Å; S86-K89 PolarHBondContact O-N 2.69Å; S86-Q224 PolarHBondContact OG-OE1 2.78Å
87E70.9Confident82Confident167 Ų16750.7 Ų50.778%0.7827%0.265SS*.THydrogen-bonded Turntrans50.437.4173.2-58.2179.4162.300114.5K89E87-K89 PolarHBondContact O-N 3.03Å
88G68.4Low82.4Confident88 Ų8850.7 Ų50.791%0.90726%0.264SS*.THydrogen-bonded Turntrans77.6-4.2-178.500000115.3S86S86-G88 PolarHBondContact O-N 3.35Å
89K71.7Confident83.2Confident117 Ų11746.3 Ų46.351%0.50924%0.244SC..EExtended strand (participates in β ladder)trans-90.2124.3169.9-67.5-179-177.5173.10110.1S86 E87 C227S86-K89 PolarHBondContact N-O 3.25Å; S86-K89 VanDerWaalsContact N-O 3.08Å; S86-K89 PolarHBondContact O-N 2.69Å; E87-K89 PolarHBondContact O-N 3.03Å; K89-C227 HydrophobicContact CB-CB 4.5Å
90K75.5Confident84Confident150 Ų15045.5 Ų45.565%0.65224%0.239SC*.EExtended strand (participates in β ladder)trans-100.9114.5171.3-175.4172-173-176.50109.2V83 V84 N85V83-K90 HydrophobicContact CG1-CD 4.27Å; V83-K90 VanDerWaalsContact CG1-CE 3.41Å; V83-K90 HydrophobicContact CG1-CG 3.94Å; V84-K90 WeakPolarHBondContact O-CA 3.4Å; N85-K90 VanDerWaalsContact OD1-CG 3.29Å; N85-K90 WeakPolarHBondContact OD1-CG 3.36Å
91S82.1Confident84.5Confident15 Ų1546.2 Ų46.211%0.10524%0.242CC..EExtended strand (participates in β ladder)trans-109.9145.3170.365.90000110.1V83 V84 L226V83-S91 WeakPolarHBondContact CA-O 3.34Å; V84-S91 PolarHBondContact N-O 3.38Å; V84-S91 PolarHBondContact O-N 3.36Å; S91-L226 WeakPolarHBondContact CB-O 3.33Å; S91-L226 PolarHBondContact OG-O 2.7Å
92M83.7Confident84.9Confident63 Ų6344.8 Ų44.831%0.3124%0.236SC..EExtended strand (participates in β ladder)trans-125.5134.9172.8-174.1-175.9-7300108.5H81 C82 V83 I243H81-M92 HydrophobicContact CB-CG 3.89Å; H81-M92 HydrophobicContact CB-SD 3.94Å; C82-M92 CarbonylContact O-C 3Å; C82-M92 VanDerWaalsContact O-CA 3.24Å; C82-M92 WeakPolarHBondContact O-CA 3.3Å; C82-M92 WeakPolarHBondContact O-CG 3.48Å; V83-M92 HydrophobicContact CG2-CB 4.19Å; V83-M92 HydrophobicContact CG2-CE 3.44Å; V83-M92 VanDerWaalsContact CG2-CE 3.44Å; V83-M92 HydrophobicContact CG2-CG 3.91Å; V83-M92 HydrophobicContact CG2-SD 4.47Å; M92-I243 HydrophobicContact CE-CD1 4.2Å
93F84.9Confident85.2Confident32 Ų3247 Ų4714%0.1425%0.248CC..EExtended strand (participates in β ladder)trans-139.2152.1175.264.1-85.4000110.9H81 C82 V84 L95 I187 L226 L246H81-F93 CarbonylContact C-O 3.59Å; H81-F93 VanDerWaalsContact CA-O 3.31Å; H81-F93 WeakPolarHBondContact CA-O 3.37Å; C82-F93 HydrophobicContact CB-CD1 4.09Å; C82-F93 HydrophobicContact CB-CD2 4.25Å; C82-F93 HydrophobicContact CB-CE1 3.55Å; C82-F93 HydrophobicContact CB-CE2 3.75Å; C82-F93 HydrophobicContact CB-CG 4.42Å; C82-F93 HydrophobicContact CB-CZ 3.37Å; C82-F93 PolarHBondContact N-O 2.85Å; C82-F93 PolarHBondContact O-N 3.05Å; V84-F93 HydrophobicContact CG2-CE1 3.96Å; F93-L95 HydrophobicContact CE2-CD2 3.86Å; F93-I187 HydrophobicContact CE2-CG1 4.37Å; F93-I187 HydrophobicContact CZ-CG1 4.27Å; F93-L226 HydrophobicContact CE1-CB 4.27Å; F93-L226 HydrophobicContact CE1-CD1 3.82Å; F93-L226 HydrophobicContact CE1-CD2 4.07Å; F93-L226 HydrophobicContact CE1-CG 4.29Å; F93-L226 HydrophobicContact CZ-CD1 3.9Å; F93-L226 HydrophobicContact CZ-CD2 4.06Å; F93-L246 HydrophobicContact CE1-CD1 4Å; F93-L246 HydrophobicContact CZ-CD1 3.9Å
94R86.8Confident85.4Confident90 Ų9048.6 Ų48.634%0.3426%0.259SS..EExtended strand (participates in β ladder)trans-81.6131.9178.4172165.8-177.6161.112.1110.2H72 C79H72-R94 VanDerWaalsContact CD2-CZ 3.47Å; H72-R94 PolarHBondContact CD2-NH2 2.89Å; C79-R94 WeakPolarHBondContact SG-CD 3.33Å; C79-R94 WeakPolarHBondContact SG-CG 3.06Å; C79-R94 VanDerWaalsContact SG-CZ 3.55Å; C79-R94 PolarHBondContact SG-NE 3.11Å
95L90.3Very high85.7Confident2 Ų252.8 Ų52.81%0.0129%0.288CS..PPolyproline II helixtrans-78.7153.5169-67.3179.2000111.1I80 C82 F93 I183 S186 I187 I244I80-L95 HydrophobicContact CB-CD1 4.26Å; I80-L95 HydrophobicContact CG2-CD1 3.92Å; I80-L95 WeakPolarHBondContact O-CB 3.32Å; I80-L95 PolarHBondContact O-N 3.34Å; C82-L95 HydrophobicContact CB-CD2 4.48Å; F93-L95 HydrophobicContact CE2-CD2 3.86Å; L95-I183 HydrophobicContact CB-CD1 4.25Å; L95-I183 HydrophobicContact CD1-CG2 4.1Å; L95-S186 VanDerWaalsContact CD2-OG 3.25Å; L95-S186 WeakPolarHBondContact CD2-OG 3.41Å; L95-I187 HydrophobicContact CD2-CD1 3.98Å; L95-I187 HydrophobicContact CD2-CG1 3.76Å; L95-I244 HydrophobicContact CD1-CD1 3.96Å
96P91.3Very high86.2Confident32 Ų3249.5 Ų49.521%0.20827%0.27CS..PPolyproline II helixtrans-53.2156.1164.4-23.534.1000111.9F98 E182 I183P96-F98 PolarHBondContact O-N 3.4Å; P96-E182 HydrophobicContact CB-CG 3.94Å; P96-E182 HydrophobicContact CG-CG 4.03Å; P96-I183 HydrophobicContact CB-CD1 4.28Å; P96-I183 VanDerWaalsContact O-CD1 3.24Å; P96-I183 WeakPolarHBondContact O-CD1 3.45Å
97M92.9Very high87Confident13 Ų1348.7 Ų48.76%0.06426%0.264CS..PPolyproline II helixtrans-67127.2173.7-64.9-61.490.500109.7L71 C79 R99L71-M97 HydrophobicContact CB-CB 4Å; L71-M97 HydrophobicContact CB-CG 3.88Å; L71-M97 HydrophobicContact CD1-CB 4Å; C79-M97 HydrophobicContact CB-CE 3.95Å; M97-R99 PolarHBondContact O-N 3.28Å
98F95Very high87.4Confident20 Ų2044.5 Ų44.59%0.08825%0.251CS..PPolyproline II helixtrans-70.1120.5174.8-166.2-127.9000109.6P96 I100 I180 I183 L263 L266 D267 F271P96-F98 PolarHBondContact O-N 3.4Å; F98-I100 HydrophobicContact CD1-CB 3.96Å; F98-I100 VanDerWaalsContact CD1-O 3.29Å; F98-I100 WeakPolarHBondContact CD1-O 3.43Å; F98-I100 HydrophobicContact CE1-CB 3.6Å; F98-I100 HydrophobicContact CE1-CG1 4.14Å; F98-I100 HydrophobicContact CE1-CG2 4.34Å; F98-I100 HydrophobicContact CZ-CB 4.05Å; F98-I100 HydrophobicContact CZ-CG1 4.06Å; F98-I100 PolarHBondContact O-N 2.82Å; F98-I100 VanDerWaalsContact O-N 3.16Å; F98-I180 HydrophobicContact CE2-CG1 4.2Å; F98-I180 HydrophobicContact CZ-CG1 4.38Å; F98-I183 HydrophobicContact CD2-CD1 4.48Å; F98-I183 HydrophobicContact CD2-CG1 3.79Å; F98-I183 HydrophobicContact CE2-CG1 4.45Å; F98-L263 HydrophobicContact CE2-CD2 4.37Å; F98-L263 HydrophobicContact CZ-CD2 4.02Å; F98-L266 HydrophobicContact CB-CB 4.16Å; F98-L266 HydrophobicContact CB-CD2 3.89Å; F98-L266 HydrophobicContact CD1-CB 3.6Å; F98-L266 HydrophobicContact CD2-CB 4.46Å; F98-L266 HydrophobicContact CD2-CD1 4.2Å; F98-L266 HydrophobicContact CE1-CB 4.01Å; F98-L266 HydrophobicContact CE2-CD1 4.4Å; F98-L266 HydrophobicContact CG-CB 3.84Å; F98-L266 HydrophobicContact CG-CD1 4.36Å; F98-L266 HydrophobicContact CG-CD2 4.26Å; F98-L266 HydrophobicContact CG-CG 4.38Å; F98-D267 HydrophobicContact CD1-CB 4.16Å; F98-D267 HydrophobicContact CE1-CB 3.91Å; F98-F271 HydrophobicContact CE1-CE2 4.05Å; F98-F271 HydrophobicContact CZ-CE2 4.14Å; F98-F271 HydrophobicContact CZ-CZ 4.49Å
99R96.6Very high87.7Confident4 Ų441.7 Ų41.72%0.01522%0.216CC..SBendtrans-85.723-173-61173.3-85.2136.8-3.3113.4A12 R13 S15 I16 L17 L67 L71 M97 V175 D178 S179 E182A12-R99 VanDerWaalsContact C-NH1 3.32Å; A12-R99 PolarHBondContact O-NH1 2.97Å; R13-R99 VanDerWaalsContact CA-NH1 3.3Å; S15-R99 WeakPolarHBondContact O-CD 3.35Å; I16-R99 HydrophobicContact CB-CB 4.27Å; I16-R99 HydrophobicContact CG1-CB 4.19Å; I16-R99 WeakPolarHBondContact CG1-O 3.42Å; L17-R99 PolarHBondContact N-O 3.43Å; L67-R99 HydrophobicContact CD2-CG 4.36Å; L71-R99 HydrophobicContact CD1-CG 3.84Å; M97-R99 PolarHBondContact O-N 3.28Å; R99-V175 HydrophobicContact CB-CG1 4.49Å; R99-D178 IonicContact CZ-OD2 2.67Å; R99-D178 IonicContact NH1-OD2 3.14Å; R99-D178 PolarHBondContact NH1-OD2 3.31Å; R99-D178 PolarHBondContact NH2-O 3.45Å; R99-D178 IonicContact NH2-OD2 3.5Å; R99-D178 PolarHBondContact NH2-OD2 3.29Å; R99-S179 WeakPolarHBondContact CB-OG 3.26Å; R99-E182 IonicContact CZ-OE2 3.74Å; R99-E182 VanDerWaalsContact CZ-OE2 3.23Å; R99-E182 IonicContact NE-OE2 3.03Å; R99-E182 PolarHBondContact NE-OE2 3.31Å; R99-E182 IonicContact NH2-OE2 3.29Å; R99-E182 PolarHBondContact NH2-OE2 3.5Å
100I96.8Very high87.7Confident1 Ų141.5 Ų41.51%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-125.8125.9172-53.3-64.1000107.4L17 F98 V175 L176 I291L17-I100 HydrophobicContact CB-CD1 3.91Å; L17-I100 HydrophobicContact CD1-CD1 3.77Å; L17-I100 HydrophobicContact CG-CD1 4.27Å; F98-I100 HydrophobicContact CD1-CB 3.96Å; F98-I100 VanDerWaalsContact CD1-O 3.29Å; F98-I100 WeakPolarHBondContact CD1-O 3.43Å; F98-I100 HydrophobicContact CE1-CB 3.6Å; F98-I100 HydrophobicContact CE1-CG1 4.14Å; F98-I100 HydrophobicContact CE1-CG2 4.34Å; F98-I100 HydrophobicContact CZ-CB 4.05Å; F98-I100 HydrophobicContact CZ-CG1 4.06Å; F98-I100 PolarHBondContact O-N 2.82Å; F98-I100 VanDerWaalsContact O-N 3.16Å; I100-V175 HydrophobicContact CD1-CG1 3.92Å; I100-L176 HydrophobicContact CD1-CB 4.15Å; I100-L176 HydrophobicContact CD1-CD1 4.26Å; I100-L176 HydrophobicContact CG1-CD1 3.9Å; I100-I291 HydrophobicContact CG2-CB 4.14Å; I100-I291 HydrophobicContact CG2-CG1 4.24Å; I100-I291 HydrophobicContact CG2-CG2 3.71Å
101N95.7Very high87.8Confident23 Ų2339.1 Ų39.112%0.12321%0.212CC..EExtended strand (participates in β ladder)trans-137.2111.5173.7-166.4-62.1000110.9L17 L18 T19 D103 I106L17-N101 PolarHBondContact O-N 2.82Å; L18-N101 HydrophobicContact CD2-CB 3.8Å; T19-N101 PolarHBondContact N-O 3.24Å; N101-D103 PolarHBondContact OD1-N 3.47Å; N101-D103 PolarHBondContact OD1-O 3.31Å; N101-I106 HydrophobicContact CB-CD1 4.43Å; N101-I106 WeakPolarHBondContact ND2-CD1 3.2Å; N101-I106 WeakPolarHBondContact OD1-CD1 3.31Å
102S95.4Very high87.5Confident5 Ų542.6 Ų42.64%0.03523%0.232CC..  trans-88.3-0.3-178.8-60.50000114.3T19 P104 D267 G270 I291T19-S102 WeakPolarHBondContact CB-O 3.38Å; T19-S102 WeakPolarHBondContact OG1-CA 3.49Å; T19-S102 PolarHBondContact OG1-O 3.29Å; S102-P104 VanDerWaalsContact O-CD 3.3Å; S102-P104 WeakPolarHBondContact O-CD 3.46Å; S102-D267 WeakPolarHBondContact CB-OD1 3.31Å; S102-D267 VanDerWaalsContact CB-OD2 3.24Å; S102-D267 WeakPolarHBondContact CB-OD2 3.39Å; S102-D267 PolarHBondContact N-OD1 3.34Å; S102-D267 PolarHBondContact N-OD2 3.2Å; S102-D267 PolarHBondContact OG-OD2 2.89Å; S102-G270 VanDerWaalsContact OG-CA 3.28Å; S102-G270 WeakPolarHBondContact OG-CA 3.49Å; S102-I291 PolarHBondContact OG-N 3Å
103D93.3Very high87.2Confident46 Ų4647.6 Ų47.625%0.24626%0.255CS..  trans-96.6105.1-174.2-170.5-8.8000112.5N101 S105 I106 L269N101-D103 PolarHBondContact OD1-N 3.47Å; N101-D103 PolarHBondContact OD1-O 3.31Å; D103-S105 VanDerWaalsContact CG-OG 3.24Å; D103-S105 PolarHBondContact O-N 3.37Å; D103-S105 VanDerWaalsContact OD1-CB 3.27Å; D103-S105 WeakPolarHBondContact OD1-CB 3.33Å; D103-S105 PolarHBondContact OD1-N 3.31Å; D103-S105 PolarHBondContact OD1-OG 3.39Å; D103-S105 PolarHBondContact OD2-OG 3.29Å; D103-I106 HydrophobicContact CB-CG2 4.09Å; D103-I106 WeakPolarHBondContact O-CG1 3.49Å; D103-L269 HydrophobicContact CB-CD1 3.72Å; D103-L269 HydrophobicContact CB-CG 4.47Å
104P91.2Very high86.9Confident41 Ų4148.6 Ų48.627%0.26626%0.259SS..G310 helixtrans-69.4-18.9178.729.6-34.7000113.4T19 V54 S102 I106 W107T19-P104 HydrophobicContact CG2-CB 4.13Å; T19-P104 HydrophobicContact CG2-CG 4.3Å; T19-P104 WeakPolarHBondContact O-CA 3.15Å; V54-P104 HydrophobicContact CG1-CB 4Å; V54-P104 HydrophobicContact CG1-CG 4.16Å; S102-P104 VanDerWaalsContact O-CD 3.3Å; S102-P104 WeakPolarHBondContact O-CD 3.46Å; P104-I106 PolarHBondContact O-N 3.12Å; P104-W107 PolarHBondContact O-N 3.03Å
105S89.4Confident86.4Confident88 Ų8845.4 Ų45.462%0.61525%0.247SC*.G310 helixtrans-70.6-18.3-173.872.40000113.5D103 W107D103-S105 VanDerWaalsContact CG-OG 3.24Å; D103-S105 PolarHBondContact O-N 3.37Å; D103-S105 VanDerWaalsContact OD1-CB 3.27Å; D103-S105 WeakPolarHBondContact OD1-CB 3.33Å; D103-S105 PolarHBondContact OD1-N 3.31Å; D103-S105 PolarHBondContact OD1-OG 3.39Å; D103-S105 PolarHBondContact OD2-OG 3.29Å; S105-W107 PolarHBondContact O-N 2.84Å
106I88.1Confident85.4Confident22 Ų2248.9 Ų48.911%0.11327%0.272CS..G310 helixtrans-75-7.7-179.679.2176.5000113.2S76 L77 N101 D103 P104 P108S76-I106 WeakPolarHBondContact CB-O 3.45Å; S76-I106 PolarHBondContact OG-O 2.82Å; S76-I106 VanDerWaalsContact OG-O 3.09Å; L77-I106 HydrophobicContact CD2-CD1 3.96Å; N101-I106 HydrophobicContact CB-CD1 4.43Å; N101-I106 WeakPolarHBondContact ND2-CD1 3.2Å; N101-I106 WeakPolarHBondContact OD1-CD1 3.31Å; D103-I106 HydrophobicContact CB-CG2 4.09Å; D103-I106 WeakPolarHBondContact O-CG1 3.49Å; P104-I106 PolarHBondContact O-N 3.12Å; I106-P108 WeakPolarHBondContact O-CD 3.37Å
107W86.7Confident84.3Confident4 Ų449.9 Ų49.92%0.01528%0.28CS..  trans-113.459.3-178.7-57.3110.3000112.2L18 S24 Y27 I28 F32 I74 P104 S105 V109L18-W107 HydrophobicContact CD1-CH2 4.15Å; L18-W107 HydrophobicContact CD1-CZ2 3.48Å; L18-W107 VanDerWaalsContact CD1-CZ2 3.48Å; L18-W107 HydrophobicContact CD2-CZ2 3.74Å; L18-W107 HydrophobicContact CG-CZ2 4.18Å; S24-W107 PolarHBondContact OG-O 2.83Å; Y27-W107 HydrophobicContact CE1-CE3 4.44Å; I28-W107 HydrophobicContact CD1-CB 4.1Å; I28-W107 HydrophobicContact CD1-CD2 3.72Å; I28-W107 HydrophobicContact CD1-CE3 4.17Å; I28-W107 HydrophobicContact CD1-CG 3.67Å; I28-W107 HydrophobicContact CG1-CB 4.34Å; I28-W107 HydrophobicContact CG1-CD2 3.68Å; I28-W107 HydrophobicContact CG1-CE3 3.57Å; I28-W107 HydrophobicContact CG1-CG 4.03Å; I28-W107 HydrophobicContact CG1-CZ3 4.09Å; I28-W107 HydrophobicContact CG2-CH2 4.34Å; I28-W107 HydrophobicContact CG2-CZ3 4.32Å; F32-W107 HydrophobicContact CE2-CH2 4.24Å; I74-W107 HydrophobicContact CD1-CH2 4.27Å; I74-W107 HydrophobicContact CG2-CH2 4.01Å; I74-W107 HydrophobicContact CG2-CZ3 4.15Å; P104-W107 PolarHBondContact O-N 3.03Å; S105-W107 PolarHBondContact O-N 2.84Å; W107-V109 PolarHBondContact O-N 3.2Å
108P79.1Confident82.7Confident78 Ų7860.1 Ų60.151%0.50632%0.319SS..  trans-63.9127.3171.929.2-33000108.8Y27 I106 E110Y27-P108 WeakPolarHBondContact CE1-O 3.41Å; Y27-P108 VanDerWaalsContact CZ-O 3.31Å; Y27-P108 PolarHBondContact OH-O 2.88Å; I106-P108 WeakPolarHBondContact O-CD 3.37Å; P108-E110 PolarHBondContact O-N 2.95Å
109V74.4Confident81.1Confident29 Ų2967.8 Ų67.818%0.17636%0.355CS..  trans-70100173.9-177.50000108.1S24 W107 V112 Y115S24-V109 WeakPolarHBondContact OG-CG2 3.28Å; W107-V109 PolarHBondContact O-N 3.2Å; V109-V112 HydrophobicContact CB-CG2 4.38Å; V109-V112 HydrophobicContact CG1-CG2 4.24Å; V109-Y115 HydrophobicContact CG1-CD2 3.8Å; V109-Y115 HydrophobicContact CG1-CG 4.34Å
110E73.2Confident79.5Confident113 Ų11370.2 Ų70.253%0.52837%0.365SS..SBendtrans-66.3134.2166-65.5168-159.200108.3Y27 K31 P108 Y115Y27-E110 HydrophobicContact CE2-CB 4.06Å; Y27-E110 HydrophobicContact CE2-CG 4.32Å; Y27-E110 VanDerWaalsContact OH-CD 3.25Å; Y27-E110 PolarHBondContact OH-OE1 3.15Å; K31-E110 IonicContact NZ-OE1 3.59Å; P108-E110 PolarHBondContact O-N 2.95Å; E110-Y115 WeakPolarHBondContact O-CD2 3.2Å; E110-Y115 WeakPolarHBondContact O-CE2 3.42Å
111N76.8Confident78.4Confident101 Ų10171.5 Ų71.554%0.5437%0.373SS..SBendtrans56.668.4178.1-167.4-19.2000113.3E113 K114 Y115N111-E113 PolarHBondContact O-N 3.27Å; N111-K114 HydrophobicContact CB-CB 4.37Å; N111-K114 PolarHBondContact O-N 3.37Å; N111-K114 WeakPolarHBondContact OD1-CB 3.39Å; N111-K114 PolarHBondContact OD1-N 2.94Å; N111-Y115 WeakPolarHBondContact O-CD2 3.2Å
112V76.9Confident77.6Confident87 Ų8772.2 Ų72.253%0.52739%0.386SS..Hα-helixtrans-53.2-37.6-179.9178.80000112.2V109 K114 Y115 S116V109-V112 HydrophobicContact CB-CG2 4.38Å; V109-V112 HydrophobicContact CG1-CG2 4.24Å; V112-K114 PolarHBondContact O-N 2.97Å; V112-Y115 PolarHBondContact O-N 2.87Å; V112-S116 WeakPolarHBondContact CG1-OG 3.37Å; V112-S116 WeakPolarHBondContact O-CB 3.4Å; V112-S116 PolarHBondContact O-N 3.35Å; V112-S116 PolarHBondContact O-OG 3.22Å
113E76.6Confident77.1Confident168 Ų16879.4 Ų79.479%0.78541%0.412SS*.Hα-helixtrans-58.9-45.9-179.8-65.5179.4179.700112.1N111 Y115 S116 S117N111-E113 PolarHBondContact O-N 3.27Å; E113-Y115 PolarHBondContact O-N 3.23Å; E113-S116 PolarHBondContact O-N 3.15Å; E113-S117 PolarHBondContact O-N 3.2Å; E113-S117 VanDerWaalsContact O-N 3.11Å
114K78.1Confident76.8Confident54 Ų5477.4 Ų77.424%0.23540%0.402CS..Hα-helixtrans-59.2-50178.8-177.4-170.3174.2-155.60111.9D30 N111 V112 S116 S117 Y120D30-K114 IonicContact OD2-NZ 3.89Å; D30-K114 PolarHBondContact OD2-NZ 2.9Å; N111-K114 HydrophobicContact CB-CB 4.37Å; N111-K114 PolarHBondContact O-N 3.37Å; N111-K114 WeakPolarHBondContact OD1-CB 3.39Å; N111-K114 PolarHBondContact OD1-N 2.94Å; V112-K114 PolarHBondContact O-N 2.97Å; K114-S116 VanDerWaalsContact C-N 3.34Å; K114-S117 PolarHBondContact O-OG 2.87Å; K114-Y120 WeakPolarHBondContact CE-OH 3.18Å; K114-Y120 HydrophobicContact CG-CD1 4.49Å; K114-Y120 HydrophobicContact CG-CG 4.47Å; K114-Y120 VanDerWaalsContact NZ-CZ 3.27Å; K114-Y120 PolarHBondContact NZ-OH 2.88Å
115Y75.7Confident76.5Confident22 Ų2277.6 Ų77.69%0.08640%0.404CS..Hα-helixtrans-82-12.5-175.3-62.7-72.5000113.9P26 Y27 D30 V109 E110 N111 V112 E113 Y120 P121P26-Y115 HydrophobicContact CB-CD1 3.97Å; Y27-Y115 HydrophobicContact CD2-CD2 4.32Å; Y27-Y115 HydrophobicContact CD2-CE1 4.45Å; Y27-Y115 AromaticContact CD2-CE2 3.58Å; Y27-Y115 HydrophobicContact CD2-CE2 3.58Å; Y27-Y115 AromaticContact CD2-CZ 3.67Å; Y27-Y115 HydrophobicContact CE2-CE2 4.49Å; Y27-Y115 HydrophobicContact CG-CE2 4.27Å; D30-Y115 HydrophobicContact CB-CE1 3.92Å; D30-Y115 PolarHBondContact OD2-OH 2.83Å; V109-Y115 HydrophobicContact CG1-CD2 3.8Å; V109-Y115 HydrophobicContact CG1-CG 4.34Å; E110-Y115 WeakPolarHBondContact O-CD2 3.2Å; E110-Y115 WeakPolarHBondContact O-CE2 3.42Å; N111-Y115 WeakPolarHBondContact O-CD2 3.2Å; V112-Y115 PolarHBondContact O-N 2.87Å; E113-Y115 PolarHBondContact O-N 3.23Å; Y115-Y120 HydrophobicContact CD1-CD1 4.01Å; Y115-Y120 HydrophobicContact CD1-CE1 4.09Å; Y115-Y120 HydrophobicContact CE1-CD1 4.07Å; Y115-Y120 AromaticContact CE1-CE1 3.67Å; Y115-Y120 HydrophobicContact CE1-CE1 3.67Å; Y115-P121 WeakPolarHBondContact O-CG 3.41Å
116S71Confident76.5Confident75 Ų7579.3 Ų79.352%0.52441%0.41SS..Hα-helixtrans-91.3-15.2172.8-53.30000113V112 E113 K114V112-S116 WeakPolarHBondContact CG1-OG 3.37Å; V112-S116 WeakPolarHBondContact O-CB 3.4Å; V112-S116 PolarHBondContact O-N 3.35Å; V112-S116 PolarHBondContact O-OG 3.22Å; E113-S116 PolarHBondContact O-N 3.15Å; K114-S116 VanDerWaalsContact C-N 3.34Å
117S67.6Low76.6Confident54 Ų5482.2 Ų82.238%0.37842%0.423SS..SBendtrans-63.2139.4174.673.40000110.8E113 K114 Q119 P121E113-S117 PolarHBondContact O-N 3.2Å; E113-S117 VanDerWaalsContact O-N 3.11Å; K114-S117 PolarHBondContact O-OG 2.87Å; S117-Q119 VanDerWaalsContact C-N 3.34Å; S117-Q119 PolarHBondContact O-N 3Å; S117-P121 WeakPolarHBondContact O-CD 3.29Å; S117-P121 WeakPolarHBondContact O-CG 3.36Å
118Y59.4Low76.8Confident228 Ų22882 Ų8289%0.89442%0.422SS*.SBendtrans-64.6-32.2-176.5-85.6-87.6000114.3
119Q61Low77.5Confident180 Ų18082.6 Ų82.684%0.84142%0.421SS*.Hα-helixtrans-72.9-35.5-172.8-69.6179.7-4.100113.1S117 R123S117-Q119 VanDerWaalsContact C-N 3.34Å; S117-Q119 PolarHBondContact O-N 3Å; Q119-R123 PolarHBondContact O-N 2.87Å
120Y64.1Low78.4Confident55 Ų5582.7 Ų82.722%0.21642%0.421CS..Hα-helixtrans-74.2-46.4-173.3-159-94.4000113.6D30 K114 Y115 G122 R123 L124D30-Y120 HydrophobicContact CB-CE1 4.44Å; D30-Y120 VanDerWaalsContact CG-OH 3.25Å; D30-Y120 PolarHBondContact OD1-OH 3.46Å; D30-Y120 PolarHBondContact OD2-OH 2.87Å; K114-Y120 WeakPolarHBondContact CE-OH 3.18Å; K114-Y120 HydrophobicContact CG-CD1 4.49Å; K114-Y120 HydrophobicContact CG-CG 4.47Å; K114-Y120 VanDerWaalsContact NZ-CZ 3.27Å; K114-Y120 PolarHBondContact NZ-OH 2.88Å; Y115-Y120 HydrophobicContact CD1-CD1 4.01Å; Y115-Y120 HydrophobicContact CD1-CE1 4.09Å; Y115-Y120 HydrophobicContact CE1-CD1 4.07Å; Y115-Y120 AromaticContact CE1-CE1 3.67Å; Y115-Y120 HydrophobicContact CE1-CE1 3.67Å; Y120-G122 VanDerWaalsContact C-N 3.29Å; Y120-G122 PolarHBondContact O-N 3.28Å; Y120-R123 PolarHBondContact O-N 3.37Å; Y120-L124 HydrophobicContact CD1-CD1 3.68Å; Y120-L124 HydrophobicContact CD1-CG 4.31Å; Y120-L124 HydrophobicContact CE1-CD1 3.58Å; Y120-L124 HydrophobicContact CE1-CD2 4.46Å; Y120-L124 HydrophobicContact CE1-CG 4.15Å; Y120-L124 WeakPolarHBondContact O-CG 3.38Å; Y120-L124 PolarHBondContact O-N 3.08Å
121P72.5Confident79.4Confident29 Ų2979.7 Ų79.719%0.18841%0.412CS..Hα-helixtrans-58.4-38.7172.3-24.335.4000112.2P26 Y115 S117 R123 L124 C125P26-P121 HydrophobicContact CB-CB 4.47Å; P26-P121 HydrophobicContact CB-CG 4.47Å; P26-P121 HydrophobicContact CG-CB 4.15Å; P26-P121 HydrophobicContact CG-CG 4.24Å; Y115-P121 WeakPolarHBondContact O-CG 3.41Å; S117-P121 WeakPolarHBondContact O-CD 3.29Å; S117-P121 WeakPolarHBondContact O-CG 3.36Å; P121-R123 PolarHBondContact O-N 3.27Å; P121-L124 PolarHBondContact O-N 3.5Å; P121-C125 WeakPolarHBondContact O-CB 3.17Å; P121-C125 PolarHBondContact O-N 3.17Å; P121-C125 PolarHBondContact O-SG 2.92Å
122G79.8Confident80.1Confident38 Ų3880.3 Ų80.339%0.39241%0.414SS..Hα-helixtrans-58-47179.600000113Y120 C125 V126Y120-G122 VanDerWaalsContact C-N 3.29Å; Y120-G122 PolarHBondContact O-N 3.28Å; G122-C125 WeakPolarHBondContact O-CB 3.21Å; G122-C125 PolarHBondContact O-N 3.07Å; G122-V126 PolarHBondContact O-N 3.38Å
123R85.3Confident80.8Confident156 Ų15678.8 Ų78.859%0.58940%0.399SS*.Hα-helixtrans-60.7-48.6175.5178.6-178169.5-171.6-5.9111.9Q119 Y120 P121 C125 V126 E127Q119-R123 PolarHBondContact O-N 2.87Å; Y120-R123 PolarHBondContact O-N 3.37Å; P121-R123 PolarHBondContact O-N 3.27Å; R123-C125 VanDerWaalsContact C-N 3.29Å; R123-C125 PolarHBondContact O-N 2.66Å; R123-V126 PolarHBondContact O-N 3.28Å; R123-E127 HydrophobicContact CG-CG 4.42Å; R123-E127 IonicContact CZ-OE1 3.75Å; R123-E127 VanDerWaalsContact CZ-OE1 3.24Å; R123-E127 IonicContact NE-OE1 2.71Å; R123-E127 PolarHBondContact NE-OE1 2.83Å; R123-E127 IonicContact NE-OE2 3.38Å; R123-E127 IonicContact NH2-OE1 3.14Å; R123-E127 PolarHBondContact NH2-OE1 3.29Å; R123-E127 PolarHBondContact O-N 2.93Å
124L86Confident81.1Confident4 Ų476.2 Ų76.22%0.02140%0.396CS..Hα-helixtrans-63.1-36.9-179.6-66.9172.5000112.1P26 I29 D30 L33 Y120 P121 V126 E127 S128P26-L124 HydrophobicContact CB-CD1 3.86Å; P26-L124 VanDerWaalsContact O-CD1 3.3Å; P26-L124 WeakPolarHBondContact O-CD1 3.07Å; I29-L124 HydrophobicContact CG2-CB 4.21Å; I29-L124 HydrophobicContact CG2-CD2 4.35Å; D30-L124 HydrophobicContact CB-CD1 4.12Å; D30-L124 HydrophobicContact CB-CD2 4.13Å; L33-L124 HydrophobicContact CD1-CD2 3.63Å; Y120-L124 HydrophobicContact CD1-CD1 3.68Å; Y120-L124 HydrophobicContact CD1-CG 4.31Å; Y120-L124 HydrophobicContact CE1-CD1 3.58Å; Y120-L124 HydrophobicContact CE1-CD2 4.46Å; Y120-L124 HydrophobicContact CE1-CG 4.15Å; Y120-L124 WeakPolarHBondContact O-CG 3.38Å; Y120-L124 PolarHBondContact O-N 3.08Å; P121-L124 PolarHBondContact O-N 3.5Å; L124-V126 VanDerWaalsContact C-N 3.28Å; L124-V126 PolarHBondContact O-N 3.09Å; L124-E127 PolarHBondContact O-N 3.16Å; L124-S128 WeakPolarHBondContact O-CB 3.5Å; L124-S128 PolarHBondContact O-N 3.18Å; L124-S128 PolarHBondContact O-OG 3.01Å
125C85.6Confident81.2Confident45 Ų4575 Ų7530%0.30439%0.394SS..Hα-helixtrans-58.8-41.5175.5-70.70000111.6P121 G122 R123 N129 L130P121-C125 WeakPolarHBondContact O-CB 3.17Å; P121-C125 PolarHBondContact O-N 3.17Å; P121-C125 PolarHBondContact O-SG 2.92Å; G122-C125 WeakPolarHBondContact O-CB 3.21Å; G122-C125 PolarHBondContact O-N 3.07Å; R123-C125 VanDerWaalsContact C-N 3.29Å; R123-C125 PolarHBondContact O-N 2.66Å; C125-N129 WeakPolarHBondContact O-CA 3.42Å; C125-N129 PolarHBondContact O-N 3.03Å; C125-N129 VanDerWaalsContact O-N 3.1Å; C125-L130 HydrophobicContact CB-CB 4.25Å; C125-L130 PolarHBondContact O-N 3.45Å
126V88Confident81.5Confident123 Ų12377.7 Ų77.775%0.74541%0.413SS*.Hα-helixtrans-71-49.7177.9177.70000110.9G122 R123 L124 S128 N129G122-V126 PolarHBondContact O-N 3.38Å; R123-V126 PolarHBondContact O-N 3.28Å; L124-V126 VanDerWaalsContact C-N 3.28Å; L124-V126 PolarHBondContact O-N 3.09Å; V126-S128 PolarHBondContact O-N 3.43Å; V126-N129 PolarHBondContact O-N 3.3Å
127E90.5Very high82.3Confident83 Ų8375.5 Ų75.539%0.38840%0.397SS..Hα-helixtrans-62.6-29.6-177.9-72.7-179.3175.400113.3L33 R123 L124L33-E127 HydrophobicContact CD1-CB 4.14Å; R123-E127 HydrophobicContact CG-CG 4.42Å; R123-E127 IonicContact CZ-OE1 3.75Å; R123-E127 VanDerWaalsContact CZ-OE1 3.24Å; R123-E127 IonicContact NE-OE1 2.71Å; R123-E127 PolarHBondContact NE-OE1 2.83Å; R123-E127 IonicContact NE-OE2 3.38Å; R123-E127 IonicContact NH2-OE1 3.14Å; R123-E127 PolarHBondContact NH2-OE1 3.29Å; R123-E127 PolarHBondContact O-N 2.93Å; L124-E127 PolarHBondContact O-N 3.16Å
128S91.1Very high83.3Confident0 Ų075.2 Ų75.20%040%0.395CS..THydrogen-bonded Turntrans-101.40.2179.564.60000114.5R41 A42 L124 V126 L130R41-S128 CarbonylContact C-O 3.49Å; R41-S128 VanDerWaalsContact C-O 3.28Å; R41-S128 WeakPolarHBondContact CA-O 3.24Å; A42-S128 PolarHBondContact N-O 3.23Å; L124-S128 WeakPolarHBondContact O-CB 3.5Å; L124-S128 PolarHBondContact O-N 3.18Å; L124-S128 PolarHBondContact O-OG 3.01Å; V126-S128 PolarHBondContact O-N 3.43Å; S128-L130 VanDerWaalsContact C-N 3.26Å; S128-L130 PolarHBondContact O-N 3.31Å
129N93.9Very high84.7Confident91 Ų9168.1 Ų68.149%0.48738%0.379SS..THydrogen-bonded Turntrans46.751.8-171.1-170.513.4000111.6C125 V126 S131C125-N129 WeakPolarHBondContact O-CA 3.42Å; C125-N129 PolarHBondContact O-N 3.03Å; C125-N129 VanDerWaalsContact O-N 3.1Å; V126-N129 PolarHBondContact O-N 3.3Å; N129-S131 PolarHBondContact O-N 2.83Å
130L94.3Very high86.1Confident31 Ų3168.1 Ų68.116%0.16238%0.376CS..EExtended strand (participates in β ladder)trans-71.6121.9-175.2178.661.5000110.8V25 I29 A42 L57 C125 S128 I132V25-L130 HydrophobicContact CG1-CD1 4.34Å; V25-L130 HydrophobicContact CG1-CD2 3.88Å; I29-L130 HydrophobicContact CD1-CB 4.49Å; I29-L130 HydrophobicContact CD1-CD1 4.09Å; I29-L130 HydrophobicContact CD1-CD2 3.89Å; I29-L130 HydrophobicContact CD1-CG 4.38Å; A42-L130 HydrophobicContact CB-CB 4.39Å; A42-L130 HydrophobicContact CB-CD1 3.62Å; A42-L130 WeakPolarHBondContact O-CA 3.24Å; L57-L130 HydrophobicContact CD1-CD1 4.41Å; C125-L130 HydrophobicContact CB-CB 4.25Å; C125-L130 PolarHBondContact O-N 3.45Å; S128-L130 VanDerWaalsContact C-N 3.26Å; S128-L130 PolarHBondContact O-N 3.31Å; L130-I132 HydrophobicContact CG-CG1 4.49Å
131S93.5Very high87.6Confident49 Ų4969.4 Ų69.434%0.34338%0.384SS..EExtended strand (participates in β ladder)trans-108.1119.6170-177.60000110.4A42 V43 Y44 N129A42-S131 PolarHBondContact O-N 2.7Å; V43-S131 WeakPolarHBondContact CA-O 3.46Å; Y44-S131 PolarHBondContact N-O 2.91Å; N129-S131 PolarHBondContact O-N 2.83Å
132I91.5Very high88.6Confident114 Ų11469 Ų6959%0.58538%0.38SS*.EExtended strand (participates in β ladder)trans-89.5118.1170.5-58.4175.4000107.8L130L130-I132 HydrophobicContact CG-CG1 4.49Å
133R90.8Very high89.3Confident56 Ų5669.3 Ų69.321%0.21137%0.374CS..PPolyproline II helixtrans-81.1140.2179.2-67.9-56.7-166.7130.8-9.9110.9V43 Y44 W45 P46 S135 Q168V43-R133 HydrophobicContact CG1-CG 3.64Å; Y44-R133 PolarHBondContact O-N 2.74Å; W45-R133 HydrophobicContact CD2-CG 4.34Å; W45-R133 HydrophobicContact CG-CB 4.09Å; W45-R133 HydrophobicContact CG-CG 4.29Å; P46-R133 WeakPolarHBondContact CD-O 3.33Å; P46-R133 WeakPolarHBondContact CG-O 3.3Å; R133-S135 PolarHBondContact O-N 3.03Å; R133-Q168 VanDerWaalsContact NH2-NE2 3.16Å
134P84.4Confident89.8Confident113 Ų11365.9 Ų65.973%0.73437%0.374SS*.PPolyproline II helixtrans-61.1139.516728.3-33000108.2
135S80.1Confident90.3Very high28 Ų2868.3 Ų68.320%0.19639%0.387CS..PPolyproline II helixtrans-67.7150.8168.740.90000109.5K48 R133K48-S135 WeakPolarHBondContact CD-OG 3.23Å; K48-S135 WeakPolarHBondContact CE-OG 3.42Å; K48-S135 VanDerWaalsContact CG-OG 3.29Å; K48-S135 WeakPolarHBondContact CG-OG 3.38Å; R133-S135 PolarHBondContact O-N 3.03Å
136V81.8Confident90.8Very high80 Ų8066.2 Ų66.249%0.48537%0.372SS..PPolyproline II helixtrans-50.5132.8174.1-172.20000109.2S138 I206V136-S138 PolarHBondContact O-N 2.67Å; V136-I206 HydrophobicContact CB-CD1 4.03Å; V136-I206 HydrophobicContact CG1-CD1 3.44Å; V136-I206 VanDerWaalsContact CG1-CD1 3.44Å; V136-I206 HydrophobicContact CG2-CD1 3.35Å
137P87.7Confident91.2Very high28 Ų2862.6 Ų62.618%0.18235%0.348CS..PPolyproline II helixtrans-54.8132.5175.3-24.233000110.5E141 M142 I145 L162P137-E141 HydrophobicContact CB-CB 3.89Å; P137-M142 HydrophobicContact CB-CB 4.34Å; P137-M142 HydrophobicContact CB-CE 4.17Å; P137-M142 HydrophobicContact CG-CE 4.18Å; P137-I145 HydrophobicContact CB-CD1 4.3Å; P137-I145 HydrophobicContact CG-CD1 4.19Å; P137-L162 HydrophobicContact CG-CD2 4.26Å
138S88.2Confident91.4Very high49 Ų4962.4 Ų62.434%0.34336%0.356SS..PPolyproline II helixtrans-58.1162.6167.8650000110.1V136 K140 E141 M142V136-S138 PolarHBondContact O-N 2.67Å; S138-K140 PolarHBondContact O-N 3.17Å; S138-K140 VanDerWaalsContact O-N 3.11Å; S138-E141 VanDerWaalsContact CB-OE2 3.26Å; S138-E141 WeakPolarHBondContact CB-OE2 3.32Å; S138-E141 PolarHBondContact N-OE2 3.02Å; S138-E141 PolarHBondContact O-N 2.92Å; S138-E141 VanDerWaalsContact O-N 3.12Å; S138-E141 VanDerWaalsContact OG-CG 3.3Å; S138-E141 WeakPolarHBondContact OG-CG 3.2Å; S138-E141 PolarHBondContact OG-N 3.43Å; S138-E141 PolarHBondContact OG-OE2 2.61Å; S138-M142 WeakPolarHBondContact O-CB 3.34Å; S138-M142 PolarHBondContact O-N 2.6Å
139S88.5Confident91.7Very high78 Ų7862.6 Ų62.655%0.54536%0.357SS..Hα-helixtrans-57.1-32.4179.4-166.80000112.8T143S139-T143 PolarHBondContact O-N 2.92Å; S139-T143 VanDerWaalsContact O-N 3.08Å; S139-T143 PolarHBondContact O-OG1 3.42Å
140K91.6Very high91.7Very high181 Ų18164.8 Ų64.879%0.78736%0.364SS*.Hα-helixtrans-71.9-45.6177-68.3-175.8178.9-177.90111.9S138 M142 T143 S144S138-K140 PolarHBondContact O-N 3.17Å; S138-K140 VanDerWaalsContact O-N 3.11Å; K140-M142 VanDerWaalsContact C-N 3.35Å; K140-T143 PolarHBondContact O-N 3.49Å; K140-S144 PolarHBondContact O-N 2.85Å
141E93.8Very high91.7Very high81 Ų8165.9 Ų65.938%0.37938%0.375SS..Hα-helixtrans-61.7-44.4175.6-70.2163.3136.500110.6K48 P137 S138 T143 S144 I145K48-E141 IonicContact NZ-OE1 2.82Å; K48-E141 PolarHBondContact NZ-OE1 3.23Å; K48-E141 IonicContact NZ-OE2 3.29Å; K48-E141 PolarHBondContact NZ-OE2 2.72Å; P137-E141 HydrophobicContact CB-CB 3.89Å; S138-E141 VanDerWaalsContact CB-OE2 3.26Å; S138-E141 WeakPolarHBondContact CB-OE2 3.32Å; S138-E141 PolarHBondContact N-OE2 3.02Å; S138-E141 PolarHBondContact O-N 2.92Å; S138-E141 VanDerWaalsContact O-N 3.12Å; S138-E141 VanDerWaalsContact OG-CG 3.3Å; S138-E141 WeakPolarHBondContact OG-CG 3.2Å; S138-E141 PolarHBondContact OG-N 3.43Å; S138-E141 PolarHBondContact OG-OE2 2.61Å; E141-T143 PolarHBondContact O-N 3.36Å; E141-S144 PolarHBondContact O-N 2.68Å; E141-I145 VanDerWaalsContact O-CG1 3.28Å; E141-I145 WeakPolarHBondContact O-CG1 3.44Å; E141-I145 PolarHBondContact O-N 2.81Å
142M93.9Very high91.8Very high22 Ų2263.7 Ų63.711%0.10836%0.359CS..Hα-helixtrans-57.9-47.6175.9-172.266.373.900111.3P137 S138 K140 S144 I145 L146 F159 L162 T163P137-M142 HydrophobicContact CB-CB 4.34Å; P137-M142 HydrophobicContact CB-CE 4.17Å; P137-M142 HydrophobicContact CG-CE 4.18Å; S138-M142 WeakPolarHBondContact O-CB 3.34Å; S138-M142 PolarHBondContact O-N 2.6Å; K140-M142 VanDerWaalsContact C-N 3.35Å; M142-S144 PolarHBondContact O-N 2.9Å; M142-I145 PolarHBondContact O-N 3.08Å; M142-L146 HydrophobicContact CG-CD1 4.07Å; M142-L146 HydrophobicContact CG-CG 4.5Å; M142-L146 VanDerWaalsContact O-CG 3.31Å; M142-L146 WeakPolarHBondContact O-CG 3.39Å; M142-L146 PolarHBondContact O-N 3.11Å; M142-L146 HydrophobicContact SD-CD1 4.37Å; M142-L146 HydrophobicContact SD-CG 4.45Å; M142-F159 HydrophobicContact SD-CD2 4.18Å; M142-L162 HydrophobicContact CE-CB 4.25Å; M142-L162 HydrophobicContact CE-CD1 4.23Å; M142-L162 HydrophobicContact SD-CD1 3.76Å; M142-T163 HydrophobicContact CE-CG2 4.21Å
143T94.8Very high92.1Very high43 Ų4360.1 Ų60.126%0.26434%0.341SS..Hα-helixtrans-58.5-46.5175.3-61.40000111.6S139 K140 E141 I145 L146 M147 L515S139-T143 PolarHBondContact O-N 2.92Å; S139-T143 VanDerWaalsContact O-N 3.08Å; S139-T143 PolarHBondContact O-OG1 3.42Å; K140-T143 PolarHBondContact O-N 3.49Å; E141-T143 PolarHBondContact O-N 3.36Å; T143-I145 VanDerWaalsContact C-N 3.33Å; T143-I145 PolarHBondContact O-N 2.96Å; T143-L146 PolarHBondContact O-N 3.01Å; T143-M147 HydrophobicContact CG2-CG 4.27Å; T143-M147 WeakPolarHBondContact O-CB 3.26Å; T143-M147 VanDerWaalsContact O-CG 3.26Å; T143-M147 WeakPolarHBondContact O-CG 3.44Å; T143-M147 PolarHBondContact O-N 3.09Å; T143-L515 HydrophobicContact CG2-CD1 3.96Å; T143-L515 HydrophobicContact CG2-CD2 4.29Å
144S95.6Very high92.4Very high85 Ų8560.2 Ų60.259%0.59435%0.346SS*.Hα-helixtrans-61.2-41.3179.4-171.30000112.4K140 E141 M142 S148K140-S144 PolarHBondContact O-N 2.85Å; E141-S144 PolarHBondContact O-N 2.68Å; M142-S144 PolarHBondContact O-N 2.9Å; S144-S148 PolarHBondContact O-N 3.09Å
145I96.6Very high93Very high55 Ų5554.8 Ų54.828%0.28231%0.311SS..Hα-helixtrans-64.8-49.1178.4-66.9162.2000109.9P137 E141 M142 T143 M147 S148 T158 L162P137-I145 HydrophobicContact CB-CD1 4.3Å; P137-I145 HydrophobicContact CG-CD1 4.19Å; E141-I145 VanDerWaalsContact O-CG1 3.28Å; E141-I145 WeakPolarHBondContact O-CG1 3.44Å; E141-I145 PolarHBondContact O-N 2.81Å; M142-I145 PolarHBondContact O-N 3.08Å; T143-I145 VanDerWaalsContact C-N 3.33Å; T143-I145 PolarHBondContact O-N 2.96Å; I145-M147 VanDerWaalsContact C-N 3.33Å; I145-M147 PolarHBondContact O-N 2.7Å; I145-S148 WeakPolarHBondContact O-CB 3.3Å; I145-S148 PolarHBondContact O-N 2.9Å; I145-S148 PolarHBondContact O-OG 3.02Å; I145-T158 HydrophobicContact CG2-CG2 3.54Å; I145-L162 HydrophobicContact CD1-CD1 4.17Å; I145-L162 HydrophobicContact CG2-CD1 4Å
146L96.4Very high93.8Very high0 Ų053.5 Ų53.50%030%0.302CS..Hα-helixtrans-66.5-32.8-178.8-64.1178000112.8M142 T143 S148 C149 Q155 T158 F159 L514 L515M142-L146 HydrophobicContact CG-CD1 4.07Å; M142-L146 HydrophobicContact CG-CG 4.5Å; M142-L146 VanDerWaalsContact O-CG 3.31Å; M142-L146 WeakPolarHBondContact O-CG 3.39Å; M142-L146 PolarHBondContact O-N 3.11Å; M142-L146 HydrophobicContact SD-CD1 4.37Å; M142-L146 HydrophobicContact SD-CG 4.45Å; T143-L146 PolarHBondContact O-N 3.01Å; L146-S148 PolarHBondContact O-N 3.16Å; L146-C149 WeakPolarHBondContact O-CB 3.45Å; L146-C149 PolarHBondContact O-N 2.98Å; L146-Q155 HydrophobicContact CB-CG 4.42Å; L146-Q155 HydrophobicContact CD2-CB 4.22Å; L146-Q155 VanDerWaalsContact CD2-O 3.3Å; L146-Q155 WeakPolarHBondContact CD2-O 3.28Å; L146-Q155 WeakPolarHBondContact O-CG 3.47Å; L146-Q155 PolarHBondContact O-NE2 3.03Å; L146-T158 HydrophobicContact CD2-CG2 4.25Å; L146-F159 HydrophobicContact CD2-CB 4.13Å; L146-L514 HydrophobicContact CD1-CD2 4.26Å; L146-L515 HydrophobicContact CB-CD1 3.91Å; L146-L515 HydrophobicContact CB-CD2 4.34Å; L146-L515 HydrophobicContact CB-CG 4.08Å; L146-L515 HydrophobicContact CD1-CD2 3.96Å; L146-L515 HydrophobicContact CD1-CG 4.36Å
147M95.3Very high94.6Very high48 Ų4850.9 Ų50.924%0.23629%0.287CS..Hα-helixtrans-63.5-27.7172.9-75.7-62-64.100113T143 I145 S510 L515T143-M147 HydrophobicContact CG2-CG 4.27Å; T143-M147 WeakPolarHBondContact O-CB 3.26Å; T143-M147 VanDerWaalsContact O-CG 3.26Å; T143-M147 WeakPolarHBondContact O-CG 3.44Å; T143-M147 PolarHBondContact O-N 3.09Å; I145-M147 VanDerWaalsContact C-N 3.33Å; I145-M147 PolarHBondContact O-N 2.7Å; M147-S510 WeakPolarHBondContact CE-O 3.4Å; M147-L515 HydrophobicContact CG-CD1 3.57Å; M147-L515 HydrophobicContact SD-CD1 3.55Å; M147-L515 VanDerWaalsContact SD-CD1 3.55Å
148S95.4Very high95Very high78 Ų7851.1 Ų51.155%0.54529%0.288SS..Hα-helixtrans-80.2-14.3-178.375.50000114.5S144 I145 L146 Q150S144-S148 PolarHBondContact O-N 3.09Å; I145-S148 WeakPolarHBondContact O-CB 3.3Å; I145-S148 PolarHBondContact O-N 2.9Å; I145-S148 PolarHBondContact O-OG 3.02Å; L146-S148 PolarHBondContact O-N 3.16Å; S148-Q150 PolarHBondContact O-NE2 2.9Å
149C96.6Very high95.5Very high5 Ų549.8 Ų49.83%0.03428%0.276CS..  trans-60.9165.3177.6-68.30000112.4L146 D154 Q155 K506 W512L146-C149 WeakPolarHBondContact O-CB 3.45Å; L146-C149 PolarHBondContact O-N 2.98Å; C149-D154 WeakPolarHBondContact CA-OD2 3.5Å; C149-D154 HydrophobicContact CB-CB 4.15Å; C149-D154 WeakPolarHBondContact CB-OD2 3.36Å; C149-Q155 HydrophobicContact CB-CB 4.43Å; C149-Q155 HydrophobicContact CB-CG 3.53Å; C149-K506 WeakPolarHBondContact O-CE 3.25Å; C149-K506 PolarHBondContact O-NZ 3.42Å; C149-W512 HydrophobicContact CB-CH2 4.45Å; C149-W512 HydrophobicContact CB-CZ2 4.4Å; C149-W512 VanDerWaalsContact O-CZ2 3.29Å; C149-W512 WeakPolarHBondContact O-CZ2 3.22Å
150Q94.3Very high95.9Very high136 Ų13648.3 Ų48.364%0.63626%0.258SS*.SBendtrans-103.4-22.5-177.4-58-56.8-30.700114.2S148 D154S148-Q150 PolarHBondContact O-NE2 2.9Å; Q150-D154 PolarHBondContact N-OD2 2.6Å
151S95.2Very high96.1Very high54 Ų5444.5 Ų44.538%0.37824%0.243SC..SBendtrans-146171177.668.10000111.8D154 Q155S151-D154 PolarHBondContact O-N 3.17Å; S151-D154 WeakPolarHBondContact OG-CB 3.35Å; S151-D154 PolarHBondContact OG-N 3.27Å; S151-Q155 PolarHBondContact O-N 3.23Å
152F95.8Very high96.1Very high3 Ų343.5 Ų43.51%0.01324%0.24CC..Hα-helixtrans-59.5-47.5172.8-178.7-97.9000112D154 Q155 V156 L339 M414 E415 L418 L500 C504 L514 L517F152-D154 VanDerWaalsContact C-N 3.25Å; F152-D154 PolarHBondContact O-N 3.2Å; F152-Q155 WeakPolarHBondContact O-CB 3.34Å; F152-Q155 PolarHBondContact O-N 3.27Å; F152-Q155 VanDerWaalsContact O-N 3.1Å; F152-V156 HydrophobicContact CD1-CG2 4.14Å; F152-V156 HydrophobicContact CE1-CG2 3.77Å; F152-V156 HydrophobicContact CE2-CG2 4.48Å; F152-V156 HydrophobicContact CZ-CG2 3.96Å; F152-V156 WeakPolarHBondContact O-CG2 3.13Å; F152-V156 PolarHBondContact O-N 3.34Å; F152-L339 HydrophobicContact CE1-CD2 4.24Å; F152-L339 HydrophobicContact CZ-CD1 4.26Å; F152-L339 HydrophobicContact CZ-CD2 4.19Å; F152-M414 HydrophobicContact CD1-CB 4.09Å; F152-M414 HydrophobicContact CE1-CB 3.95Å; F152-E415 HydrophobicContact CD1-CB 3.88Å; F152-E415 HydrophobicContact CE1-CB 4.44Å; F152-L418 HydrophobicContact CZ-CD2 3.85Å; F152-L500 HydrophobicContact CE2-CD1 4.22Å; F152-L500 HydrophobicContact CZ-CD1 4.35Å; F152-C504 WeakPolarHBondContact CB-SG 3.48Å; F152-L514 HydrophobicContact CE2-CB 4.48Å; F152-L517 HydrophobicContact CE2-CD1 3.72Å; F152-L517 HydrophobicContact CZ-CD1 4.05Å
153D96.7Very high96.2Very high40 Ų4043.1 Ų43.121%0.21424%0.239CC..Hα-helixtrans-57.3-37.3175.1-76.6-103.1000113.3V156 S157 M414D153-V156 PolarHBondContact O-N 3.28Å; D153-S157 VanDerWaalsContact O-CB 3.26Å; D153-S157 WeakPolarHBondContact O-CB 3.44Å; D153-S157 PolarHBondContact O-N 3.32Å; D153-S157 PolarHBondContact O-OG 2.86Å; D153-M414 WeakPolarHBondContact OD1-CB 3.26Å; D153-M414 WeakPolarHBondContact OD1-CG 3.4Å; D153-M414 PolarHBondContact OD1-N 3.08Å
154D96.8Very high96.2Very high57 Ų5746.4 Ų46.431%0.30525%0.247SC..Hα-helixtrans-68.4-41.9175.5-177.329.8000111.4C149 Q150 S151 F152 V156 S157 T158C149-D154 WeakPolarHBondContact CA-OD2 3.5Å; C149-D154 HydrophobicContact CB-CB 4.15Å; C149-D154 WeakPolarHBondContact CB-OD2 3.36Å; Q150-D154 PolarHBondContact N-OD2 2.6Å; S151-D154 PolarHBondContact O-N 3.17Å; S151-D154 WeakPolarHBondContact OG-CB 3.35Å; S151-D154 PolarHBondContact OG-N 3.27Å; F152-D154 VanDerWaalsContact C-N 3.25Å; F152-D154 PolarHBondContact O-N 3.2Å; D154-V156 PolarHBondContact O-N 3.34Å; D154-S157 PolarHBondContact O-N 3.23Å; D154-T158 WeakPolarHBondContact O-CB 3.18Å; D154-T158 PolarHBondContact O-N 2.85Å; D154-T158 PolarHBondContact O-OG1 2.89Å; D154-T158 PolarHBondContact OD1-OG1 2.79Å
155Q97.2Very high96.1Very high0 Ų043.5 Ų43.50%023%0.225CC..Hα-helixtrans-59.2-46.5172.4-74.1-172.2-12.900112L146 C149 S151 F152 T158 F159 W512 L514L146-Q155 HydrophobicContact CB-CG 4.42Å; L146-Q155 HydrophobicContact CD2-CB 4.22Å; L146-Q155 VanDerWaalsContact CD2-O 3.3Å; L146-Q155 WeakPolarHBondContact CD2-O 3.28Å; L146-Q155 WeakPolarHBondContact O-CG 3.47Å; L146-Q155 PolarHBondContact O-NE2 3.03Å; C149-Q155 HydrophobicContact CB-CB 4.43Å; C149-Q155 HydrophobicContact CB-CG 3.53Å; S151-Q155 PolarHBondContact O-N 3.23Å; F152-Q155 WeakPolarHBondContact O-CB 3.34Å; F152-Q155 PolarHBondContact O-N 3.27Å; F152-Q155 VanDerWaalsContact O-N 3.1Å; Q155-T158 PolarHBondContact O-N 2.79Å; Q155-F159 VanDerWaalsContact O-CB 3.29Å; Q155-F159 WeakPolarHBondContact O-CB 3.46Å; Q155-F159 PolarHBondContact O-N 3.05Å; Q155-W512 HydrophobicContact CG-CH2 4.14Å; Q155-W512 HydrophobicContact CG-CZ2 4.36Å; Q155-W512 VanDerWaalsContact NE2-CE2 3.25Å; Q155-W512 PolarHBondContact NE2-O 3.34Å; Q155-W512 PolarHBondContact OE1-O 2.94Å; Q155-L514 HydrophobicContact CB-CB 4.37Å
156V97.8Very high95.9Very high1 Ų142.5 Ų42.51%0.00622%0.221CC..Hα-helixtrans-65-44179.6175.80000110.9F152 D153 D154 F159 Y160 K335 L339 M414F152-V156 HydrophobicContact CD1-CG2 4.14Å; F152-V156 HydrophobicContact CE1-CG2 3.77Å; F152-V156 HydrophobicContact CE2-CG2 4.48Å; F152-V156 HydrophobicContact CZ-CG2 3.96Å; F152-V156 WeakPolarHBondContact O-CG2 3.13Å; F152-V156 PolarHBondContact O-N 3.34Å; D153-V156 PolarHBondContact O-N 3.28Å; D154-V156 PolarHBondContact O-N 3.34Å; V156-F159 PolarHBondContact O-N 3.18Å; V156-Y160 WeakPolarHBondContact O-CB 3.39Å; V156-Y160 PolarHBondContact O-N 2.63Å; V156-K335 HydrophobicContact CG1-CD 4.32Å; V156-K335 HydrophobicContact CG1-CG 3.77Å; V156-L339 HydrophobicContact CG1-CB 4.03Å; V156-L339 HydrophobicContact CG2-CD1 4.17Å; V156-L339 HydrophobicContact CG2-CD2 4.21Å; V156-M414 HydrophobicContact CB-CB 4.49Å; V156-M414 HydrophobicContact CB-CG 4.25Å; V156-M414 HydrophobicContact CG1-CG 4Å; V156-M414 HydrophobicContact CG1-SD 4.06Å; V156-M414 HydrophobicContact CG2-CB 4.37Å
157S97.7Very high95.7Very high24 Ų2448.5 Ų48.517%0.16825%0.249CC..Hα-helixtrans-63.5-45.1178.1-57.60000111.2D153 D154 Y160 H161 K335D153-S157 VanDerWaalsContact O-CB 3.26Å; D153-S157 WeakPolarHBondContact O-CB 3.44Å; D153-S157 PolarHBondContact O-N 3.32Å; D153-S157 PolarHBondContact O-OG 2.86Å; D154-S157 PolarHBondContact O-N 3.23Å; S157-Y160 PolarHBondContact O-N 2.85Å; S157-H161 PolarHBondContact O-CD2 3.14Å; S157-H161 PolarHBondContact O-N 3.02Å; S157-K335 WeakPolarHBondContact OG-CD 3.49Å; S157-K335 PolarHBondContact OG-NZ 2.84Å
158T97.7Very high95.7Very high33 Ų3347.6 Ų47.620%0.20224%0.244CC..Hα-helixtrans-61.7-47.1176.2-66.30000111.3I145 L146 D154 Q155 Y160 H161 L162I145-T158 HydrophobicContact CG2-CG2 3.54Å; L146-T158 HydrophobicContact CD2-CG2 4.25Å; D154-T158 WeakPolarHBondContact O-CB 3.18Å; D154-T158 PolarHBondContact O-N 2.85Å; D154-T158 PolarHBondContact O-OG1 2.89Å; D154-T158 PolarHBondContact OD1-OG1 2.79Å; Q155-T158 PolarHBondContact O-N 2.79Å; T158-Y160 PolarHBondContact O-N 2.67Å; T158-H161 PolarHBondContact O-N 3.43Å; T158-L162 HydrophobicContact CG2-CD1 3.89Å; T158-L162 HydrophobicContact CG2-CG 4.48Å; T158-L162 WeakPolarHBondContact O-CB 3.28Å; T158-L162 VanDerWaalsContact O-CG 3.25Å; T158-L162 WeakPolarHBondContact O-CG 3.36Å; T158-L162 PolarHBondContact O-N 3.25Å
159F97.2Very high95.6Very high22 Ų2244.8 Ų44.810%0.09622%0.223CC..Hα-helixtrans-58.2-45.9175.5174.6-98.5000112M142 L146 Q155 V156 L162 T163 A338 Y342 L514M142-F159 HydrophobicContact SD-CD2 4.18Å; L146-F159 HydrophobicContact CD2-CB 4.13Å; Q155-F159 VanDerWaalsContact O-CB 3.29Å; Q155-F159 WeakPolarHBondContact O-CB 3.46Å; Q155-F159 PolarHBondContact O-N 3.05Å; V156-F159 PolarHBondContact O-N 3.18Å; F159-L162 PolarHBondContact O-N 3.28Å; F159-T163 HydrophobicContact CD2-CG2 4.17Å; F159-T163 HydrophobicContact CE1-CG2 4.48Å; F159-T163 HydrophobicContact CE2-CG2 3.75Å; F159-T163 HydrophobicContact CZ-CG2 3.91Å; F159-T163 WeakPolarHBondContact O-CB 3.48Å; F159-T163 WeakPolarHBondContact O-CG2 3.18Å; F159-T163 PolarHBondContact O-N 3.2Å; F159-T163 VanDerWaalsContact O-N 3.15Å; F159-T163 PolarHBondContact O-OG1 3.25Å; F159-A338 HydrophobicContact CE1-CB 4.32Å; F159-Y342 HydrophobicContact CD2-CD2 4.18Å; F159-Y342 HydrophobicContact CD2-CE2 4.46Å; F159-Y342 HydrophobicContact CE1-CD2 4.16Å; F159-Y342 HydrophobicContact CE1-CG 4.18Å; F159-Y342 AromaticContact CE2-CD2 3.41Å; F159-Y342 HydrophobicContact CE2-CD2 3.41Å; F159-Y342 VanDerWaalsContact CE2-CD2 3.41Å; F159-Y342 AromaticContact CE2-CE2 3.92Å; F159-Y342 HydrophobicContact CE2-CE2 3.92Å; F159-Y342 HydrophobicContact CE2-CG 4.19Å; F159-Y342 AromaticContact CZ-CD2 3.41Å; F159-Y342 HydrophobicContact CZ-CD2 3.41Å; F159-Y342 VanDerWaalsContact CZ-CD2 3.41Å; F159-Y342 HydrophobicContact CZ-CE2 4.36Å; F159-Y342 AromaticContact CZ-CG 3.88Å; F159-Y342 HydrophobicContact CZ-CG 3.88Å; F159-L514 HydrophobicContact CB-CD2 4.06Å; F159-L514 HydrophobicContact CG-CD2 4.13Å
160Y97.3Very high95.6Very high46 Ų4645.2 Ų45.218%0.1823%0.225CC..Hα-helixtrans-60.4-48.5176.9169.8-112000111.5V156 S157 T158 L162 T163 R164 P334 K335 A338V156-Y160 WeakPolarHBondContact O-CB 3.39Å; V156-Y160 PolarHBondContact O-N 2.63Å; S157-Y160 PolarHBondContact O-N 2.85Å; T158-Y160 PolarHBondContact O-N 2.67Å; Y160-L162 VanDerWaalsContact C-N 3.29Å; Y160-L162 PolarHBondContact O-N 3.1Å; Y160-T163 PolarHBondContact O-N 3.13Å; Y160-T163 VanDerWaalsContact O-N 3.1Å; Y160-R164 HydrophobicContact CD2-CB 4.24Å; Y160-R164 HydrophobicContact CE2-CB 3.84Å; Y160-R164 WeakPolarHBondContact O-CB 3.02Å; Y160-R164 PolarHBondContact O-N 2.98Å; Y160-P334 HydrophobicContact CE2-CB 3.8Å; Y160-P334 WeakPolarHBondContact OH-CB 3.14Å; Y160-K335 HydrophobicContact CD1-CB 4.19Å; Y160-K335 HydrophobicContact CD1-CG 4.45Å; Y160-K335 HydrophobicContact CG-CB 4.14Å; Y160-K335 HydrophobicContact CG-CG 4.3Å; Y160-A338 HydrophobicContact CD2-CB 3.91Å
161H95.8Very high95.7Very high102 Ų10239 Ų3947%0.47220%0.196SC..Hα-helixtrans-63.6-32.7-179.8-71.7-49.6000113.7S157 T158 T163S157-H161 PolarHBondContact O-CD2 3.14Å; S157-H161 PolarHBondContact O-N 3.02Å; T158-H161 PolarHBondContact O-N 3.43Å; H161-T163 VanDerWaalsContact C-N 3.33Å
162L94.7Very high95.8Very high59 Ų5936.5 Ų36.531%0.30918%0.179SC..Hα-helixtrans-75.4-20.5176-69.5171.2000113.7P137 M142 I145 T158 F159 Y160P137-L162 HydrophobicContact CG-CD2 4.26Å; M142-L162 HydrophobicContact CE-CB 4.25Å; M142-L162 HydrophobicContact CE-CD1 4.23Å; M142-L162 HydrophobicContact SD-CD1 3.76Å; I145-L162 HydrophobicContact CD1-CD1 4.17Å; I145-L162 HydrophobicContact CG2-CD1 4Å; T158-L162 HydrophobicContact CG2-CD1 3.89Å; T158-L162 HydrophobicContact CG2-CG 4.48Å; T158-L162 WeakPolarHBondContact O-CB 3.28Å; T158-L162 VanDerWaalsContact O-CG 3.25Å; T158-L162 WeakPolarHBondContact O-CG 3.36Å; T158-L162 PolarHBondContact O-N 3.25Å; F159-L162 PolarHBondContact O-N 3.28Å; Y160-L162 VanDerWaalsContact C-N 3.29Å; Y160-L162 PolarHBondContact O-N 3.1Å
163T94.4Very high95.9Very high14 Ų1436.8 Ų36.89%0.08618%0.18CC..Hα-helixtrans-119.3-12.7-171.5610000114.6M142 F159 Y160 H161 S205 I206M142-T163 HydrophobicContact CE-CG2 4.21Å; F159-T163 HydrophobicContact CD2-CG2 4.17Å; F159-T163 HydrophobicContact CE1-CG2 4.48Å; F159-T163 HydrophobicContact CE2-CG2 3.75Å; F159-T163 HydrophobicContact CZ-CG2 3.91Å; F159-T163 WeakPolarHBondContact O-CB 3.48Å; F159-T163 WeakPolarHBondContact O-CG2 3.18Å; F159-T163 PolarHBondContact O-N 3.2Å; F159-T163 VanDerWaalsContact O-N 3.15Å; F159-T163 PolarHBondContact O-OG1 3.25Å; Y160-T163 PolarHBondContact O-N 3.13Å; Y160-T163 VanDerWaalsContact O-N 3.1Å; H161-T163 VanDerWaalsContact C-N 3.33Å; T163-S205 CarbonylContact O-C 3.51Å; T163-S205 WeakPolarHBondContact O-CA 3.2Å; T163-S205 WeakPolarHBondContact O-CB 3.46Å; T163-I206 WeakPolarHBondContact O-CG1 3.5Å; T163-I206 PolarHBondContact O-N 3.43Å
164R94.8Very high95.9Very high113 Ų11335 Ų3543%0.42617%0.17SC..BIsolated β-bridgetrans-60.8150.4176.467179.3-178.9167.22.1111.6Y160Y160-R164 HydrophobicContact CD2-CB 4.24Å; Y160-R164 HydrophobicContact CE2-CB 3.84Å; Y160-R164 WeakPolarHBondContact O-CB 3.02Å; Y160-R164 PolarHBondContact O-N 2.98Å
165L94.2Very high96Very high24 Ų2432.3 Ų32.313%0.12616%0.156CC..PPolyproline II helixtrans-68.3133169.8-69.6170.9000110.3D169 I170 S205L165-D169 HydrophobicContact CB-CB 4.47Å; L165-D169 HydrophobicContact CD2-CB 3.73Å; L165-I170 HydrophobicContact CB-CD1 4.33Å; L165-I170 HydrophobicContact CB-CG1 4.08Å; L165-I170 HydrophobicContact CD1-CG1 4.45Å; L165-S205 WeakPolarHBondContact CD2-O 3.43Å
166T92.9Very high96Very high34 Ų3432.3 Ų32.321%0.20916%0.156CC..PPolyproline II helixtrans-88.3165.3168.268.60000110.6Q168 D169 I170T166-Q168 PolarHBondContact O-N 2.88Å; T166-Q168 VanDerWaalsContact O-N 3.15Å; T166-Q168 PolarHBondContact OG1-OE1 2.9Å; T166-D169 VanDerWaalsContact CB-OD2 3.31Å; T166-D169 WeakPolarHBondContact CB-OD2 3.41Å; T166-D169 WeakPolarHBondContact CG2-OD2 3.41Å; T166-D169 PolarHBondContact N-OD2 3.22Å; T166-D169 PolarHBondContact O-N 3.24Å; T166-D169 PolarHBondContact OG1-N 2.92Å; T166-D169 PolarHBondContact OG1-OD2 3.47Å; T166-I170 WeakPolarHBondContact O-CG1 3.32Å; T166-I170 PolarHBondContact O-N 2.98Å
167E92.6Very high96Very high126 Ų12632.5 Ų32.559%0.58916%0.157SC*.Hα-helixtrans-55-34174.8-61.1-179.1163.500112.3Y8 L171Y8-E167 WeakPolarHBondContact CE1-O 3.29Å; E167-L171 WeakPolarHBondContact O-CB 3.42Å; E167-L171 PolarHBondContact O-N 3.05Å
168Q93.9Very high96Very high29 Ų2931.6 Ų31.614%0.13615%0.15CC..Hα-helixtrans-73.7-36.7179-62.678.15.100111.4V43 W45 R133 T166 I170 L171 A172V43-Q168 HydrophobicContact CG2-CG 4.12Å; W45-Q168 HydrophobicContact CH2-CB 3.93Å; W45-Q168 HydrophobicContact CZ2-CB 3.59Å; R133-Q168 VanDerWaalsContact NH2-NE2 3.16Å; T166-Q168 PolarHBondContact O-N 2.88Å; T166-Q168 VanDerWaalsContact O-N 3.15Å; T166-Q168 PolarHBondContact OG1-OE1 2.9Å; Q168-I170 VanDerWaalsContact C-N 3.31Å; Q168-L171 PolarHBondContact O-N 2.89Å; Q168-A172 WeakPolarHBondContact O-CB 3.42Å; Q168-A172 PolarHBondContact O-N 2.81Å
169D94.8Very high96Very high19 Ų1930 Ų3010%0.10214%0.14CC..Hα-helixtrans-67.3-35.5175-56.2-49.1000111.5W45 L165 T166 R173W45-D169 PolarHBondContact NE1-OD1 3.49Å; L165-D169 HydrophobicContact CB-CB 4.47Å; L165-D169 HydrophobicContact CD2-CB 3.73Å; T166-D169 VanDerWaalsContact CB-OD2 3.31Å; T166-D169 WeakPolarHBondContact CB-OD2 3.41Å; T166-D169 WeakPolarHBondContact CG2-OD2 3.41Å; T166-D169 PolarHBondContact N-OD2 3.22Å; T166-D169 PolarHBondContact O-N 3.24Å; T166-D169 PolarHBondContact OG1-N 2.92Å; T166-D169 PolarHBondContact OG1-OD2 3.47Å; D169-R173 WeakPolarHBondContact O-CG 3.23Å; D169-R173 PolarHBondContact O-N 3.07Å; D169-R173 PolarHBondContact O-NH1 2.79Å
170I95.6Very high96Very high14 Ų1429 Ų297%0.07214%0.136CC..Hα-helixtrans-67.6-50.7173.4-67.2157.4000109.4L3 Y8 L165 T166 Q168 A172 R173 F174L3-I170 HydrophobicContact CD2-CD1 3.73Å; L3-I170 HydrophobicContact CD2-CG2 4.1Å; Y8-I170 HydrophobicContact CD1-CG2 3.96Å; Y8-I170 HydrophobicContact CD2-CG2 4.1Å; Y8-I170 HydrophobicContact CE1-CB 4.09Å; Y8-I170 HydrophobicContact CE1-CG2 3.76Å; Y8-I170 HydrophobicContact CE2-CG2 3.91Å; Y8-I170 HydrophobicContact CG-CG2 4.11Å; L165-I170 HydrophobicContact CB-CD1 4.33Å; L165-I170 HydrophobicContact CB-CG1 4.08Å; L165-I170 HydrophobicContact CD1-CG1 4.45Å; T166-I170 WeakPolarHBondContact O-CG1 3.32Å; T166-I170 PolarHBondContact O-N 2.98Å; Q168-I170 VanDerWaalsContact C-N 3.31Å; I170-A172 VanDerWaalsContact C-N 3.3Å; I170-A172 PolarHBondContact O-N 2.92Å; I170-R173 WeakPolarHBondContact O-CB 3.34Å; I170-R173 PolarHBondContact O-N 2.94Å; I170-F174 HydrophobicContact CG2-CD2 3.75Å; I170-F174 HydrophobicContact CG2-CE2 3.7Å; I170-F174 WeakPolarHBondContact O-CD2 3.43Å; I170-F174 PolarHBondContact O-N 3.4Å
171L96.5Very high96.1Very high5 Ų528.2 Ų28.23%0.02613%0.134CC..Hα-helixtrans-57.1-43.4178.9176.857.9000112.3Y8 L11 A12 L58 E167 Q168 R173 F174 V175Y8-L171 HydrophobicContact CD1-CB 3.93Å; Y8-L171 HydrophobicContact CD1-CD1 4.25Å; Y8-L171 HydrophobicContact CE1-CB 4.11Å; L11-L171 HydrophobicContact CB-CD1 3.56Å; L11-L171 HydrophobicContact CB-CD2 4.15Å; L11-L171 HydrophobicContact CD1-CD2 4.37Å; A12-L171 HydrophobicContact CB-CD1 4.21Å; L58-L171 HydrophobicContact CD2-CD2 4.01Å; L58-L171 HydrophobicContact CD2-CG 4.34Å; E167-L171 WeakPolarHBondContact O-CB 3.42Å; E167-L171 PolarHBondContact O-N 3.05Å; Q168-L171 PolarHBondContact O-N 2.89Å; L171-R173 PolarHBondContact O-N 3.41Å; L171-F174 CarbonylContact O-C 3.59Å; L171-F174 WeakPolarHBondContact O-CA 3.33Å; L171-F174 WeakPolarHBondContact O-CB 3.37Å; L171-F174 PolarHBondContact O-N 2.66Å; L171-V175 HydrophobicContact CD1-CG2 4.46Å; L171-V175 WeakPolarHBondContact O-CG2 3.41Å; L171-V175 PolarHBondContact O-N 2.83Å
172A97.2Very high96.1Very high2 Ų224.9 Ų24.92%0.01712%0.118CC..Hα-helixtrans-56.9-39.5177.300000111.9L17 W45 Q168 I170 V175 L176 L292L17-A172 HydrophobicContact CD1-CB 4.12Å; L17-A172 WeakPolarHBondContact CD1-O 3.4Å; L17-A172 HydrophobicContact CD2-CB 4.03Å; W45-A172 HydrophobicContact CH2-CB 4.42Å; Q168-A172 WeakPolarHBondContact O-CB 3.42Å; Q168-A172 PolarHBondContact O-N 2.81Å; I170-A172 VanDerWaalsContact C-N 3.3Å; I170-A172 PolarHBondContact O-N 2.92Å; A172-V175 PolarHBondContact O-N 2.94Å; A172-L176 PolarHBondContact O-N 3.18Å; A172-L292 HydrophobicContact CB-CD2 3.84Å
173R97.4Very high96.1Very high8 Ų822 Ų223%0.0310%0.104CC..Hα-helixtrans-67.6-38.2174.1-64.1171.2162.672.5-2.8111.9D169 I170 L171 V175 L176 S177 I195 V199 I206 S208 I210 L292D169-R173 WeakPolarHBondContact O-CG 3.23Å; D169-R173 PolarHBondContact O-N 3.07Å; D169-R173 PolarHBondContact O-NH1 2.79Å; I170-R173 WeakPolarHBondContact O-CB 3.34Å; I170-R173 PolarHBondContact O-N 2.94Å; L171-R173 PolarHBondContact O-N 3.41Å; R173-V175 VanDerWaalsContact C-N 3.35Å; R173-V175 PolarHBondContact O-N 2.88Å; R173-L176 WeakPolarHBondContact O-CB 3.37Å; R173-L176 PolarHBondContact O-N 3.3Å; R173-S177 PolarHBondContact O-N 2.96Å; R173-S177 VanDerWaalsContact O-N 3.11Å; R173-I195 HydrophobicContact CB-CD1 4.17Å; R173-V199 HydrophobicContact CB-CG1 4.31Å; R173-I206 PolarHBondContact NH2-O 3.28Å; R173-S208 PolarHBondContact NH2-O 3.13Å; R173-I210 HydrophobicContact CB-CD1 4.19Å; R173-I210 HydrophobicContact CB-CG1 4.36Å; R173-I210 HydrophobicContact CG-CD1 3.69Å; R173-I210 HydrophobicContact CG-CG1 3.81Å; R173-L292 HydrophobicContact CG-CD1 4.22Å
174F97.5Very high96.2Very high4 Ų421.4 Ų21.42%0.01810%0.1CC..Hα-helixtrans-64-34.7172.3-87.9-91.8000113.2Y8 R9 A12 I170 L171 L176 S177 D178 I195 L200Y8-F174 VanDerWaalsContact CB-CD2 3.48Å; Y8-F174 HydrophobicContact CD1-CD2 4.34Å; Y8-F174 HydrophobicContact CD2-CE2 4.13Å; Y8-F174 AromaticContact CG-CD2 3.89Å; Y8-F174 HydrophobicContact CG-CD2 3.89Å; Y8-F174 AromaticContact CG-CE2 3.92Å; Y8-F174 HydrophobicContact CG-CE2 3.92Å; Y8-F174 HydrophobicContact CG-CG 4.38Å; Y8-F174 HydrophobicContact CG-CZ 4.43Å; R9-F174 HydrophobicContact CG-CD1 3.99Å; R9-F174 HydrophobicContact CG-CE1 4.01Å; A12-F174 HydrophobicContact CB-CB 3.99Å; I170-F174 HydrophobicContact CG2-CD2 3.75Å; I170-F174 HydrophobicContact CG2-CE2 3.7Å; I170-F174 WeakPolarHBondContact O-CD2 3.43Å; I170-F174 PolarHBondContact O-N 3.4Å; L171-F174 CarbonylContact O-C 3.59Å; L171-F174 WeakPolarHBondContact O-CA 3.33Å; L171-F174 WeakPolarHBondContact O-CB 3.37Å; L171-F174 PolarHBondContact O-N 2.66Å; F174-L176 VanDerWaalsContact C-N 3.29Å; F174-L176 PolarHBondContact O-N 3.43Å; F174-S177 PolarHBondContact O-N 2.82Å; F174-D178 WeakPolarHBondContact O-CB 3.23Å; F174-D178 PolarHBondContact O-N 3.4Å; F174-I195 HydrophobicContact CB-CD1 4.3Å; F174-I195 HydrophobicContact CD1-CD1 4.05Å; F174-I195 HydrophobicContact CD2-CD1 3.72Å; F174-I195 HydrophobicContact CE1-CD1 4.34Å; F174-I195 HydrophobicContact CE2-CD1 4.04Å; F174-I195 HydrophobicContact CG-CD1 3.74Å; F174-I195 HydrophobicContact CZ-CD1 4.34Å; F174-L200 HydrophobicContact CE2-CD2 3.59Å; F174-L200 HydrophobicContact CZ-CD2 3.65Å
175V98.4Very high96.2Very high0 Ų017.2 Ų17.20%09%0.092CC..Hα-helixtrans-59.4-42.6173-178.90000110.7A12 L17 L58 R99 I100 L171 A172 R173 S179A12-V175 HydrophobicContact CB-CG2 4.25Å; L17-V175 HydrophobicContact CD1-CB 4.03Å; L17-V175 HydrophobicContact CD1-CG1 4.29Å; L17-V175 HydrophobicContact CG-CB 4.14Å; L17-V175 HydrophobicContact CG-CG1 4.07Å; L58-V175 HydrophobicContact CD1-CG2 3.76Å; R99-V175 HydrophobicContact CB-CG1 4.49Å; I100-V175 HydrophobicContact CD1-CG1 3.92Å; L171-V175 HydrophobicContact CD1-CG2 4.46Å; L171-V175 WeakPolarHBondContact O-CG2 3.41Å; L171-V175 PolarHBondContact O-N 2.83Å; A172-V175 PolarHBondContact O-N 2.94Å; R173-V175 VanDerWaalsContact C-N 3.35Å; R173-V175 PolarHBondContact O-N 2.88Å; V175-S179 WeakPolarHBondContact O-CB 3.19Å; V175-S179 PolarHBondContact O-N 2.93Å; V175-S179 PolarHBondContact O-OG 3.46Å
176L98.2Very high96Very high0 Ų017.8 Ų17.80%010%0.098CC..Hα-helixtrans-61.5-51.8175.5176.564.5000111.8I100 A172 R173 F174 S179 I180 I210 F271 I289 L292 L296I100-L176 HydrophobicContact CD1-CB 4.15Å; I100-L176 HydrophobicContact CD1-CD1 4.26Å; I100-L176 HydrophobicContact CG1-CD1 3.9Å; A172-L176 PolarHBondContact O-N 3.18Å; R173-L176 WeakPolarHBondContact O-CB 3.37Å; R173-L176 PolarHBondContact O-N 3.3Å; F174-L176 VanDerWaalsContact C-N 3.29Å; F174-L176 PolarHBondContact O-N 3.43Å; L176-S179 PolarHBondContact O-N 3.09Å; L176-I180 HydrophobicContact CD1-CD1 4.1Å; L176-I180 HydrophobicContact CG-CD1 4.31Å; L176-I180 WeakPolarHBondContact O-CG1 3.43Å; L176-I180 PolarHBondContact O-N 3.44Å; L176-I180 VanDerWaalsContact O-N 3.15Å; L176-I210 HydrophobicContact CD2-CD1 3.74Å; L176-F271 HydrophobicContact CD1-CZ 4.2Å; L176-I289 HydrophobicContact CD1-CD1 3.75Å; L176-I289 HydrophobicContact CD2-CD1 3.82Å; L176-I289 HydrophobicContact CG-CD1 4.46Å; L176-L292 HydrophobicContact CD2-CD1 4.45Å; L176-L296 HydrophobicContact CD2-CD1 4.01Å; L176-L296 HydrophobicContact CD2-CD2 4.04Å
177S97.5Very high96Very high4 Ų416.1 Ų16.13%0.0289%0.088CC..Hα-helixtrans-58.3-51179.5-172.20000112.3R173 F174 S179 I180 E181 V193R173-S177 PolarHBondContact O-N 2.96Å; R173-S177 VanDerWaalsContact O-N 3.11Å; F174-S177 PolarHBondContact O-N 2.82Å; S177-S179 VanDerWaalsContact C-N 3.32Å; S177-S179 PolarHBondContact O-N 3.18Å; S177-I180 PolarHBondContact O-N 3.07Å; S177-E181 PolarHBondContact O-N 3.26Å; S177-V193 PolarHBondContact OG-O 2.98Å
178D97.6Very high96Very high5 Ų510.2 Ų10.23%0.0276%0.06CC..Hα-helixtrans-69.3-28.6-177.6-177.482.4000112A12 R13 R99 F174 E181 E182A12-D178 HydrophobicContact CB-CB 3.8Å; R13-D178 VanDerWaalsContact CA-OD2 3.31Å; R13-D178 WeakPolarHBondContact CA-OD2 3.49Å; R13-D178 VanDerWaalsContact CG-OD1 3.26Å; R13-D178 WeakPolarHBondContact CG-OD1 3.11Å; R13-D178 WeakPolarHBondContact CG-OD2 3.36Å; R13-D178 PolarHBondContact N-OD2 2.76Å; R13-D178 IonicContact NE-OD1 4Å; R13-D178 PolarHBondContact NE-OD1 2.68Å; R99-D178 IonicContact CZ-OD2 2.67Å; R99-D178 IonicContact NH1-OD2 3.14Å; R99-D178 PolarHBondContact NH1-OD2 3.31Å; R99-D178 PolarHBondContact NH2-O 3.45Å; R99-D178 IonicContact NH2-OD2 3.5Å; R99-D178 PolarHBondContact NH2-OD2 3.29Å; F174-D178 WeakPolarHBondContact O-CB 3.23Å; F174-D178 PolarHBondContact O-N 3.4Å; D178-E181 PolarHBondContact O-N 2.95Å; D178-E182 WeakPolarHBondContact O-CB 3.44Å; D178-E182 PolarHBondContact O-N 3.01Å
179S97.6Very high95.8Very high0 Ų016.8 Ų16.80%08%0.083CC..Hα-helixtrans-66.7-39.9171.5-61.90000112.2R99 V175 L176 S177 I183R99-S179 WeakPolarHBondContact CB-OG 3.26Å; V175-S179 WeakPolarHBondContact O-CB 3.19Å; V175-S179 PolarHBondContact O-N 2.93Å; V175-S179 PolarHBondContact O-OG 3.46Å; L176-S179 PolarHBondContact O-N 3.09Å; S177-S179 VanDerWaalsContact C-N 3.32Å; S177-S179 PolarHBondContact O-N 3.18Å; S179-I183 WeakPolarHBondContact O-CG1 3.25Å; S179-I183 PolarHBondContact O-N 3.29Å
180I98Very high95.6Very high1 Ų118.8 Ų18.81%0.00511%0.109CC..Hα-helixtrans-68.8-42.1176.3-63.2170.7000109.6F98 L176 S177 I183 L184 V193 L212 L259 L263 I298F98-I180 HydrophobicContact CE2-CG1 4.2Å; F98-I180 HydrophobicContact CZ-CG1 4.38Å; L176-I180 HydrophobicContact CD1-CD1 4.1Å; L176-I180 HydrophobicContact CG-CD1 4.31Å; L176-I180 WeakPolarHBondContact O-CG1 3.43Å; L176-I180 PolarHBondContact O-N 3.44Å; L176-I180 VanDerWaalsContact O-N 3.15Å; S177-I180 PolarHBondContact O-N 3.07Å; I180-I183 PolarHBondContact O-N 3.01Å; I180-L184 HydrophobicContact CG2-CD1 3.79Å; I180-L184 HydrophobicContact CG2-CG 4.37Å; I180-L184 WeakPolarHBondContact O-CB 3.39Å; I180-L184 WeakPolarHBondContact O-CG 3.2Å; I180-L184 PolarHBondContact O-N 3.15Å; I180-V193 HydrophobicContact CG2-CG2 4.21Å; I180-L212 HydrophobicContact CD1-CD1 3.77Å; I180-L259 HydrophobicContact CG2-CD1 4.39Å; I180-L263 HydrophobicContact CD1-CD2 4.32Å; I180-L263 HydrophobicContact CG1-CD2 3.97Å; I180-I298 HydrophobicContact CD1-CD1 4.1Å
181E97.8Very high95.5Very high30 Ų3018.5 Ų18.514%0.1411%0.108CC..Hα-helixtrans-58.1-47.4174.1-171174.4107.500112.1R13 S177 D178 I183 L184 G185 V193R13-E181 IonicContact NH2-OE1 3.64Å; S177-E181 PolarHBondContact O-N 3.26Å; D178-E181 PolarHBondContact O-N 2.95Å; E181-I183 VanDerWaalsContact C-N 3.34Å; E181-I183 PolarHBondContact O-N 3.32Å; E181-L184 PolarHBondContact O-N 3.42Å; E181-G185 WeakPolarHBondContact O-CA 3.28Å; E181-G185 PolarHBondContact O-N 3.06Å; E181-V193 HydrophobicContact CB-CB 3.92Å; E181-V193 HydrophobicContact CB-CG2 3.76Å; E181-V193 HydrophobicContact CG-CG2 4.3Å; E181-V193 PolarHBondContact OE2-N 3.26Å
182E96.3Very high95.4Very high31 Ų3123 Ų2315%0.14513%0.129CC..Hα-helixtrans-62.2-41.5-178.7-177.4174.1-141.200112.1R68 P96 R99 D178 S186R68-E182 IonicContact CZ-OE1 3.53Å; R68-E182 IonicContact NE-OE1 2.68Å; R68-E182 PolarHBondContact NE-OE1 3.01Å; R68-E182 IonicContact NH2-OE1 2.81Å; R68-E182 PolarHBondContact NH2-OE1 2.85Å; P96-E182 HydrophobicContact CB-CG 3.94Å; P96-E182 HydrophobicContact CG-CG 4.03Å; R99-E182 IonicContact CZ-OE2 3.74Å; R99-E182 VanDerWaalsContact CZ-OE2 3.23Å; R99-E182 IonicContact NE-OE2 3.03Å; R99-E182 PolarHBondContact NE-OE2 3.31Å; R99-E182 IonicContact NH2-OE2 3.29Å; R99-E182 PolarHBondContact NH2-OE2 3.5Å; D178-E182 WeakPolarHBondContact O-CB 3.44Å; D178-E182 PolarHBondContact O-N 3.01Å; E182-S186 PolarHBondContact O-N 3.2Å
183I95.7Very high95.3Very high0 Ų022.9 Ų22.90%013%0.128CC..Hα-helixtrans-66.1-52175.7-63.5-62.9000110.5L95 P96 F98 S179 I180 E181 G185 S186 I187 M262 L266L95-I183 HydrophobicContact CB-CD1 4.25Å; L95-I183 HydrophobicContact CD1-CG2 4.1Å; P96-I183 HydrophobicContact CB-CD1 4.28Å; P96-I183 VanDerWaalsContact O-CD1 3.24Å; P96-I183 WeakPolarHBondContact O-CD1 3.45Å; F98-I183 HydrophobicContact CD2-CD1 4.48Å; F98-I183 HydrophobicContact CD2-CG1 3.79Å; F98-I183 HydrophobicContact CE2-CG1 4.45Å; S179-I183 WeakPolarHBondContact O-CG1 3.25Å; S179-I183 PolarHBondContact O-N 3.29Å; I180-I183 PolarHBondContact O-N 3.01Å; E181-I183 VanDerWaalsContact C-N 3.34Å; E181-I183 PolarHBondContact O-N 3.32Å; I183-G185 PolarHBondContact O-N 3.03Å; I183-S186 PolarHBondContact O-N 3.01Å; I183-S186 PolarHBondContact O-OG 3.16Å; I183-I187 HydrophobicContact CG2-CD1 4.42Å; I183-I187 PolarHBondContact O-N 2.62Å; I183-M262 HydrophobicContact CG2-CE 3.81Å; I183-M262 HydrophobicContact CG2-SD 3.64Å; I183-L266 HydrophobicContact CD1-CD2 4.23Å; I183-L266 HydrophobicContact CG1-CD1 4.26Å; I183-L266 HydrophobicContact CG2-CD1 4.08Å
184L95.7Very high95Very high0 Ų023.9 Ų23.90%014%0.136CC..Hα-helixtrans-64.5-40.7-178.2-74.2173.9000112I180 E181 S186 I187 F188 T191 V193 V214 F255 F258 L259 M262I180-L184 HydrophobicContact CG2-CD1 3.79Å; I180-L184 HydrophobicContact CG2-CG 4.37Å; I180-L184 WeakPolarHBondContact O-CB 3.39Å; I180-L184 WeakPolarHBondContact O-CG 3.2Å; I180-L184 PolarHBondContact O-N 3.15Å; E181-L184 PolarHBondContact O-N 3.42Å; L184-S186 PolarHBondContact O-N 2.79Å; L184-I187 CarbonylContact O-C 3.56Å; L184-I187 PolarHBondContact O-N 3.16Å; L184-F188 HydrophobicContact CD2-CD2 3.89Å; L184-F188 HydrophobicContact CD2-CE2 3.78Å; L184-F188 PolarHBondContact O-N 3.35Å; L184-T191 HydrophobicContact CB-CG2 3.72Å; L184-T191 HydrophobicContact CD1-CG2 4.08Å; L184-V193 HydrophobicContact CD1-CG2 4.28Å; L184-V214 HydrophobicContact CD1-CG1 3.68Å; L184-V214 HydrophobicContact CD1-CG2 4.24Å; L184-F255 HydrophobicContact CD1-CZ 4.3Å; L184-F255 HydrophobicContact CD2-CE2 4.24Å; L184-F255 HydrophobicContact CD2-CZ 4.06Å; L184-F258 HydrophobicContact CD2-CE1 4.49Å; L184-L259 HydrophobicContact CD1-CD1 4.17Å; L184-L259 HydrophobicContact CD2-CD1 4.21Å; L184-L259 HydrophobicContact CG-CD1 4.43Å; L184-M262 HydrophobicContact CD2-CE 3.57Å; L184-M262 HydrophobicContact CG-CE 4.06Å
185G94.4Very high94.9Very high25 Ų2524 Ų2426%0.25814%0.136SC..Hα-helixtrans-63.6-25.1177.400000113.7E181 I183 I187E181-G185 WeakPolarHBondContact O-CA 3.28Å; E181-G185 PolarHBondContact O-N 3.06Å; I183-G185 PolarHBondContact O-N 3.03Å; G185-I187 VanDerWaalsContact C-N 3.33Å
186S91.3Very high94.6Very high36 Ų3625.2 Ų25.225%0.25214%0.142SC..Hα-helixtrans-74.2-23.6171.677.90000113.4L95 E182 I183 L184L95-S186 VanDerWaalsContact CD2-OG 3.25Å; L95-S186 WeakPolarHBondContact CD2-OG 3.41Å; E182-S186 PolarHBondContact O-N 3.2Å; I183-S186 PolarHBondContact O-N 3.01Å; I183-S186 PolarHBondContact O-OG 3.16Å; L184-S186 PolarHBondContact O-N 2.79Å
187I91.6Very high94.3Very high0 Ų025.8 Ų25.80%015%0.148CC..Hα-helixtrans-97.1-43.1179.3-57.1170.9000110.9F93 L95 I183 L184 G185 Y225 L226 L246 F258 M262F93-I187 HydrophobicContact CE2-CG1 4.37Å; F93-I187 HydrophobicContact CZ-CG1 4.27Å; L95-I187 HydrophobicContact CD2-CD1 3.98Å; L95-I187 HydrophobicContact CD2-CG1 3.76Å; I183-I187 HydrophobicContact CG2-CD1 4.42Å; I183-I187 PolarHBondContact O-N 2.62Å; L184-I187 CarbonylContact O-C 3.56Å; L184-I187 PolarHBondContact O-N 3.16Å; G185-I187 VanDerWaalsContact C-N 3.33Å; I187-Y225 PolarHBondContact O-OH 2.83Å; I187-L226 HydrophobicContact CG2-CD1 4.49Å; I187-L246 HydrophobicContact CD1-CD2 4.43Å; I187-L246 HydrophobicContact CG2-CD1 3.69Å; I187-L246 HydrophobicContact CG2-CD2 3.93Å; I187-L246 HydrophobicContact CG2-CG 4.5Å; I187-F258 HydrophobicContact CD1-CZ 4.27Å; I187-M262 HydrophobicContact CD1-SD 3.78Å
188F92Very high94.1Very high1 Ų126.8 Ų26.80%0.00416%0.155CC..SBendtrans-127.191.6-175.1-45.9-66.9000108.9L184 G190 T191 L216 P217 Y220 L223 Y225 L251 F255 F258L184-F188 HydrophobicContact CD2-CD2 3.89Å; L184-F188 HydrophobicContact CD2-CE2 3.78Å; L184-F188 PolarHBondContact O-N 3.35Å; F188-G190 PolarHBondContact O-N 2.88Å; F188-T191 WeakPolarHBondContact CB-OG1 3.38Å; F188-T191 WeakPolarHBondContact O-CB 3.22Å; F188-T191 PolarHBondContact O-N 3.36Å; F188-T191 VanDerWaalsContact O-N 3.1Å; F188-T191 PolarHBondContact O-OG1 3.09Å; F188-L216 HydrophobicContact CD2-CD2 4.26Å; F188-P217 HydrophobicContact CB-CG 4.43Å; F188-Y220 HydrophobicContact CD1-CD2 4.14Å; F188-Y220 WeakPolarHBondContact CD1-O 3.32Å; F188-Y220 HydrophobicContact CE1-CD2 4Å; F188-Y220 WeakPolarHBondContact CE1-O 3.42Å; F188-Y220 HydrophobicContact CZ-CD2 4.47Å; F188-L223 HydrophobicContact CD1-CD2 4.13Å; F188-L223 HydrophobicContact CE1-CD2 3.89Å; F188-Y225 WeakPolarHBondContact CA-OH 3.39Å; F188-L251 HydrophobicContact CE1-CD1 3.91Å; F188-L251 HydrophobicContact CE1-CD2 4.36Å; F188-L251 HydrophobicContact CZ-CD1 3.97Å; F188-L251 HydrophobicContact CZ-CD2 3.68Å; F188-L251 HydrophobicContact CZ-CG 4.44Å; F188-F255 HydrophobicContact CD2-CE2 4.48Å; F188-F255 AromaticContact CE2-CE2 3.9Å; F188-F255 HydrophobicContact CE2-CE2 3.9Å; F188-F255 HydrophobicContact CZ-CE2 4.46Å; F188-F258 AromaticContact CE2-CE1 3.87Å; F188-F258 HydrophobicContact CE2-CE1 3.87Å; F188-F258 AromaticContact CZ-CE1 3.98Å; F188-F258 HydrophobicContact CZ-CE1 3.98Å; F188-F258 HydrophobicContact CZ-CZ 4.42Å
189R89.9Confident93.9Very high167 Ų16726.8 Ų26.863%0.6316%0.155SC*.THydrogen-bonded Turntrans-57.3129.9-175.8-67.5-178.1-179.5165.42.7111.1P217 Y225R189-P217 WeakPolarHBondContact O-CG 3.34Å; R189-Y225 HydrophobicContact CG-CE2 4.15Å; R189-Y225 PolarHBondContact N-OH 2.85Å
190G90.6Very high93.6Very high61 Ų6127 Ų2763%0.62916%0.156SC*.THydrogen-bonded Turntrans88.97.3-177.700000114.7F188 E192F188-G190 PolarHBondContact O-N 2.88Å; G190-E192 PolarHBondContact O-N 3.24Å
191T94.4Very high93.3Very high9 Ų927.6 Ų27.66%0.05516%0.159CC..  trans-62.5135.8168.1-60.60000110.7L184 F188 V193 V214 K215 L216L184-T191 HydrophobicContact CB-CG2 3.72Å; L184-T191 HydrophobicContact CD1-CG2 4.08Å; F188-T191 WeakPolarHBondContact CB-OG1 3.38Å; F188-T191 WeakPolarHBondContact O-CB 3.22Å; F188-T191 PolarHBondContact O-N 3.36Å; F188-T191 VanDerWaalsContact O-N 3.1Å; F188-T191 PolarHBondContact O-OG1 3.09Å; T191-V193 HydrophobicContact CG2-CG2 4.34Å; T191-V214 HydrophobicContact CG2-CG1 3.82Å; T191-K215 WeakPolarHBondContact CA-O 3.47Å; T191-L216 HydrophobicContact CG2-CD2 4.37Å
192E93.4Very high93Very high99 Ų9927.5 Ų27.546%0.46317%0.167SC..EExtended strand (participates in β ladder)trans-119.6137.1172.6-61177.1162.100109.3G190 K215G190-E192 PolarHBondContact O-N 3.24Å; E192-K215 HydrophobicContact CB-CB 4.36Å; E192-K215 PolarHBondContact N-O 2.89Å; E192-K215 VanDerWaalsContact N-O 3.11Å; E192-K215 PolarHBondContact O-N 3.43Å
193V95.5Very high92.9Very high0 Ų026.5 Ų26.50%016%0.162CC..EExtended strand (participates in β ladder)trans-120.3115.9172.8-171.60000108.5S177 I180 E181 L184 T191 L212 V213 V214S177-V193 PolarHBondContact OG-O 2.98Å; I180-V193 HydrophobicContact CG2-CG2 4.21Å; E181-V193 HydrophobicContact CB-CB 3.92Å; E181-V193 HydrophobicContact CB-CG2 3.76Å; E181-V193 HydrophobicContact CG-CG2 4.3Å; E181-V193 PolarHBondContact OE2-N 3.26Å; L184-V193 HydrophobicContact CD1-CG2 4.28Å; T191-V193 HydrophobicContact CG2-CG2 4.34Å; V193-L212 HydrophobicContact CG1-CB 4.32Å; V193-L212 HydrophobicContact CG1-CD1 4.26Å; V193-V213 WeakPolarHBondContact CA-O 3.5Å; V193-V214 HydrophobicContact CG1-CG2 4.32Å; V193-V214 HydrophobicContact CG2-CG1 4.45Å; V193-V214 HydrophobicContact CG2-CG2 4.16Å
194S92.6Very high92.8Very high28 Ų2827 Ų2720%0.19617%0.167CC..EExtended strand (participates in β ladder)trans-113.9132.7-177.6-64.90000110.9R9 L212 V213R9-S194 PolarHBondContact NH2-OG 2.81Å; S194-L212 WeakPolarHBondContact O-CA 3.3Å; S194-V213 PolarHBondContact N-O 2.87Å; S194-V213 PolarHBondContact O-N 3.16Å
195I94.3Very high92.8Very high6 Ų627.7 Ų27.73%0.03117%0.172CC..EExtended strand (participates in β ladder)trans-72.8144164.3-59.5172.9000107.8R173 F174 V199 L200 D211 L212R173-I195 HydrophobicContact CB-CD1 4.17Å; F174-I195 HydrophobicContact CB-CD1 4.3Å; F174-I195 HydrophobicContact CD1-CD1 4.05Å; F174-I195 HydrophobicContact CD2-CD1 3.72Å; F174-I195 HydrophobicContact CE1-CD1 4.34Å; F174-I195 HydrophobicContact CE2-CD1 4.04Å; F174-I195 HydrophobicContact CG-CD1 3.74Å; F174-I195 HydrophobicContact CZ-CD1 4.34Å; I195-V199 HydrophobicContact CG2-CB 3.7Å; I195-V199 HydrophobicContact CG2-CG1 3.83Å; I195-V199 HydrophobicContact CG2-CG2 4.25Å; I195-L200 HydrophobicContact CB-CD1 4.24Å; I195-L200 HydrophobicContact CB-CG 4.34Å; I195-L200 HydrophobicContact CG2-CD1 4.41Å; I195-L200 HydrophobicContact CG2-CD2 4.43Å; I195-L200 HydrophobicContact CG2-CG 4.02Å; I195-L200 WeakPolarHBondContact O-CD1 3.48Å; I195-D211 CarbonylContact C-O 3.59Å; I195-D211 WeakPolarHBondContact CA-O 3.35Å; I195-L212 HydrophobicContact CB-CD2 4.24Å; I195-L212 HydrophobicContact CG1-CD2 3.48Å; I195-L212 VanDerWaalsContact CG1-CD2 3.48Å
196F92Very high92.7Very high26 Ų2628.5 Ų28.511%0.11417%0.17CC..EExtended strand (participates in β ladder)trans-139.7-168.6167.467.8-84.3000110.9D211 V213 H314 T317F196-D211 HydrophobicContact CD1-CB 3.99Å; F196-D211 WeakPolarHBondContact CD1-O 3.27Å; F196-D211 HydrophobicContact CD2-CB 3.92Å; F196-D211 HydrophobicContact CE1-CB 3.66Å; F196-D211 HydrophobicContact CE2-CB 3.56Å; F196-D211 HydrophobicContact CG-CB 4.11Å; F196-D211 HydrophobicContact CZ-CB 3.42Å; F196-D211 VanDerWaalsContact CZ-CB 3.42Å; F196-D211 PolarHBondContact N-O 3.5Å; F196-V213 HydrophobicContact CD1-CB 4.21Å; F196-V213 HydrophobicContact CD1-CG1 4.09Å; F196-V213 HydrophobicContact CE1-CB 4.06Å; F196-V213 HydrophobicContact CE1-CG1 4.44Å; F196-H314 AromaticContact CE1-CE1 3.5Å; F196-H314 VanDerWaalsContact CE1-CE1 3.5Å; F196-H314 WeakPolarHBondContact CE1-CE1 2.74Å; F196-H314 AromaticContact CE1-NE2 3.9Å; F196-H314 AromaticContact CE2-CE1 3.51Å; F196-H314 AromaticContact CZ-CE1 3.21Å; F196-H314 WeakPolarHBondContact CZ-CE1 3.34Å; F196-H314 AromaticContact CZ-NE2 3.77Å; F196-T317 HydrophobicContact CB-CG2 3.86Å; F196-T317 HydrophobicContact CD1-CG2 4.44Å; F196-T317 HydrophobicContact CG-CG2 4.19Å
197G92Very high92.7Very high13 Ų1329 Ų2913%0.13417%0.174CC..G310 helixtrans71.8-145174.500000113V199 L200 N201G197-V199 PolarHBondContact O-N 2.81Å; G197-V199 VanDerWaalsContact O-N 3.15Å; G197-L200 PolarHBondContact O-N 3.43Å; G197-L200 VanDerWaalsContact O-N 3.13Å; G197-N201 WeakPolarHBondContact O-CB 3.37Å; G197-N201 VanDerWaalsContact O-CG 3.31Å; G197-N201 PolarHBondContact O-N 2.9Å
198S93.3Very high92.7Very high24 Ų2429.4 Ų29.417%0.16818%0.177CC..G310 helixtrans-65.1-22-167.166.90000114.6L200 N201 G204 S208S198-L200 VanDerWaalsContact C-N 3.35Å; S198-N201 VanDerWaalsContact CA-OD1 3.3Å; S198-N201 WeakPolarHBondContact CA-OD1 3.14Å; S198-N201 PolarHBondContact O-OD1 3.18Å; S198-G204 WeakPolarHBondContact O-CA 3.35Å; S198-G204 PolarHBondContact O-N 3.43Å; S198-S208 VanDerWaalsContact OG-CB 3.26Å; S198-S208 WeakPolarHBondContact OG-CB 3.4Å
199V93.6Very high92.8Very high5 Ų532.8 Ų32.83%0.0320%0.195CC..G310 helixtrans-68.5-35.5177.5-179.80000111.6R173 I195 G197 D209R173-V199 HydrophobicContact CB-CG1 4.31Å; I195-V199 HydrophobicContact CG2-CB 3.7Å; I195-V199 HydrophobicContact CG2-CG1 3.83Å; I195-V199 HydrophobicContact CG2-CG2 4.25Å; G197-V199 PolarHBondContact O-N 2.81Å; G197-V199 VanDerWaalsContact O-N 3.15Å; V199-D209 WeakPolarHBondContact CG2-O 3.44Å
200L91Very high93.1Very high5 Ų524.9 Ų24.93%0.02617%0.165CC..THydrogen-bonded Turntrans-104.6-23.1-176.4-60.2-171.1000114.1L2 F174 I195 G197 S198 G202 H324L2-L200 HydrophobicContact CB-CB 4.49Å; L2-L200 HydrophobicContact CB-CD1 4.29Å; L2-L200 HydrophobicContact CD1-CD1 4.08Å; L2-L200 HydrophobicContact CD2-CB 3.95Å; F174-L200 HydrophobicContact CE2-CD2 3.59Å; F174-L200 HydrophobicContact CZ-CD2 3.65Å; I195-L200 HydrophobicContact CB-CD1 4.24Å; I195-L200 HydrophobicContact CB-CG 4.34Å; I195-L200 HydrophobicContact CG2-CD1 4.41Å; I195-L200 HydrophobicContact CG2-CD2 4.43Å; I195-L200 HydrophobicContact CG2-CG 4.02Å; I195-L200 WeakPolarHBondContact O-CD1 3.48Å; G197-L200 PolarHBondContact O-N 3.43Å; G197-L200 VanDerWaalsContact O-N 3.13Å; S198-L200 VanDerWaalsContact C-N 3.35Å; L200-G202 PolarHBondContact O-N 2.86Å; L200-H324 PolarHBondContact O-ND1 2.84Å
201N91.9Very high93.3Very high13 Ų1323.7 Ų23.77%0.0714%0.144CC..SBendtrans-79.71.4-175.974.89000114.9G197 S198 L203 A320 L323 H324 T327G197-N201 WeakPolarHBondContact O-CB 3.37Å; G197-N201 VanDerWaalsContact O-CG 3.31Å; G197-N201 PolarHBondContact O-N 2.9Å; S198-N201 VanDerWaalsContact CA-OD1 3.3Å; S198-N201 WeakPolarHBondContact CA-OD1 3.14Å; S198-N201 PolarHBondContact O-OD1 3.18Å; N201-L203 VanDerWaalsContact C-N 3.26Å; N201-L203 PolarHBondContact O-N 3.48Å; N201-L203 WeakPolarHBondContact OD1-CA 3.36Å; N201-L203 VanDerWaalsContact OD1-CB 3.25Å; N201-L203 WeakPolarHBondContact OD1-CB 3.17Å; N201-L203 PolarHBondContact OD1-N 3.31Å; N201-A320 HydrophobicContact CB-CB 4.34Å; N201-A320 WeakPolarHBondContact CB-O 3.07Å; N201-L323 HydrophobicContact CB-CB 3.8Å; N201-H324 WeakPolarHBondContact O-CA 3.4Å; N201-T327 WeakPolarHBondContact O-CG2 3.47Å; N201-T327 PolarHBondContact O-OG1 3.31Å
202G91.4Very high93.4Very high29 Ų2923.2 Ų23.230%0.29914%0.141SC..SBendtrans79.5-3.6-179.500000115.4L200L200-G202 PolarHBondContact O-N 2.86Å
203L95.2Very high93.5Very high9 Ų919 Ų195%0.04712%0.122CC..  trans-98.87.7-179.9-50.8179.3000112.9N201 L323 T327 I333 P334 V337 K341 I364N201-L203 VanDerWaalsContact C-N 3.26Å; N201-L203 PolarHBondContact O-N 3.48Å; N201-L203 WeakPolarHBondContact OD1-CA 3.36Å; N201-L203 VanDerWaalsContact OD1-CB 3.25Å; N201-L203 WeakPolarHBondContact OD1-CB 3.17Å; N201-L203 PolarHBondContact OD1-N 3.31Å; L203-L323 HydrophobicContact CD1-CD1 4.47Å; L203-T327 HydrophobicContact CD2-CG2 3.46Å; L203-T327 VanDerWaalsContact CD2-CG2 3.46Å; L203-T327 HydrophobicContact CG-CG2 4.08Å; L203-I333 HydrophobicContact CD2-CG2 3.87Å; L203-P334 HydrophobicContact CD2-CG 4.43Å; L203-V337 HydrophobicContact CB-CG1 4.08Å; L203-V337 HydrophobicContact CD1-CG1 4.38Å; L203-V337 HydrophobicContact CD1-CG2 4.47Å; L203-V337 HydrophobicContact CD2-CB 4.09Å; L203-V337 HydrophobicContact CD2-CG1 4.22Å; L203-V337 HydrophobicContact CD2-CG2 4.03Å; L203-V337 HydrophobicContact CG-CG1 4.47Å; L203-K341 PolarHBondContact O-NZ 2.87Å; L203-I364 HydrophobicContact CD1-CG2 4.02Å
204G93.9Very high93.4Very high10 Ų1019 Ų1910%0.10312%0.122CC..  trans-74.1148.5179.500000113.2S198S198-G204 WeakPolarHBondContact O-CA 3.35Å; S198-G204 PolarHBondContact O-N 3.43Å
205S93.9Very high93.4Very high15 Ų1520.8 Ų20.811%0.10513%0.126CC..BIsolated β-bridgetrans-121.4166.4167.268.50000109.8T163 L165 S207 S208T163-S205 CarbonylContact O-C 3.51Å; T163-S205 WeakPolarHBondContact O-CA 3.2Å; T163-S205 WeakPolarHBondContact O-CB 3.46Å; L165-S205 WeakPolarHBondContact CD2-O 3.43Å; S205-S207 PolarHBondContact O-N 3.25Å; S205-S207 PolarHBondContact OG-OG 3.25Å; S205-S208 PolarHBondContact N-OG 3.36Å; S205-S208 WeakPolarHBondContact O-CB 3.25Å; S205-S208 PolarHBondContact O-N 2.84Å; S205-S208 PolarHBondContact O-OG 3.24Å; S205-S208 VanDerWaalsContact O-OG 3.08Å; S205-S208 PolarHBondContact OG-OG 3.27Å
206I92.9Very high93.3Very high42 Ų4220.5 Ų20.522%0.21513%0.125CC..THydrogen-bonded Turntrans-46.5-33.7174.451.5166000113.7V136 T163 R173 S208 V294V136-I206 HydrophobicContact CB-CD1 4.03Å; V136-I206 HydrophobicContact CG1-CD1 3.44Å; V136-I206 VanDerWaalsContact CG1-CD1 3.44Å; V136-I206 HydrophobicContact CG2-CD1 3.35Å; T163-I206 WeakPolarHBondContact O-CG1 3.5Å; T163-I206 PolarHBondContact O-N 3.43Å; R173-I206 PolarHBondContact NH2-O 3.28Å; I206-S208 VanDerWaalsContact C-N 3.35Å; I206-V294 WeakPolarHBondContact O-CG1 3.44Å
207S91.1Very high93.2Very high48 Ų4820.4 Ų20.434%0.33613%0.127SC..THydrogen-bonded Turntrans-87.21.3179.966.70000114.4S205 R345S205-S207 PolarHBondContact O-N 3.25Å; S205-S207 PolarHBondContact OG-OG 3.25Å; S207-R345 PolarHBondContact OG-NH1 3.22Å
208S92.7Very high92.8Very high8 Ų824.2 Ų24.26%0.05614%0.144CC..  trans-78.8139.1-175.3-58.40000110.9R173 S198 S205 I206 K341R173-S208 PolarHBondContact NH2-O 3.13Å; S198-S208 VanDerWaalsContact OG-CB 3.26Å; S198-S208 WeakPolarHBondContact OG-CB 3.4Å; S205-S208 PolarHBondContact N-OG 3.36Å; S205-S208 WeakPolarHBondContact O-CB 3.25Å; S205-S208 PolarHBondContact O-N 2.84Å; S205-S208 PolarHBondContact O-OG 3.24Å; S205-S208 VanDerWaalsContact O-OG 3.08Å; S205-S208 PolarHBondContact OG-OG 3.27Å; I206-S208 VanDerWaalsContact C-N 3.35Å; S208-K341 PolarHBondContact OG-NZ 3.34Å
209D94.1Very high92.4Very high72 Ų7228.7 Ų28.739%0.38517%0.166SC..  trans-65.9160.4-179.8-57.5-29.3000111V199 G295V199-D209 WeakPolarHBondContact CG2-O 3.44Å; D209-G295 WeakPolarHBondContact CA-O 3.33Å; D209-G295 WeakPolarHBondContact OD1-CA 3.3Å; D209-G295 PolarHBondContact OD1-N 2.67Å
210I96.4Very high92Very high0 Ų029.6 Ų29.60%017%0.169CC..EExtended strand (participates in β ladder)trans-103.7114.7177.6-53.7169000107.2R173 L176 L212 L292 V294 G295 L296 D297R173-I210 HydrophobicContact CB-CD1 4.19Å; R173-I210 HydrophobicContact CB-CG1 4.36Å; R173-I210 HydrophobicContact CG-CD1 3.69Å; R173-I210 HydrophobicContact CG-CG1 3.81Å; L176-I210 HydrophobicContact CD2-CD1 3.74Å; I210-L212 HydrophobicContact CG2-CD2 3.65Å; I210-L212 HydrophobicContact CG2-CG 4.01Å; I210-L292 HydrophobicContact CD1-CD1 3.57Å; I210-V294 HydrophobicContact CD1-CG2 3.76Å; I210-V294 HydrophobicContact CG1-CG2 3.87Å; I210-G295 PolarHBondContact N-O 2.84Å; I210-L296 HydrophobicContact CB-CD1 3.89Å; I210-L296 HydrophobicContact CG2-CD1 3.97Å; I210-L296 WeakPolarHBondContact O-CA 3.36Å; I210-D297 PolarHBondContact O-N 2.92Å
211D95Very high91.6Very high36 Ų3631 Ų3119%0.19318%0.177CC..EExtended strand (participates in β ladder)trans-100.1116.9175.3-53.8-68.6000109.1I195 F196I195-D211 CarbonylContact C-O 3.59Å; I195-D211 WeakPolarHBondContact CA-O 3.35Å; F196-D211 HydrophobicContact CD1-CB 3.99Å; F196-D211 WeakPolarHBondContact CD1-O 3.27Å; F196-D211 HydrophobicContact CD2-CB 3.92Å; F196-D211 HydrophobicContact CE1-CB 3.66Å; F196-D211 HydrophobicContact CE2-CB 3.56Å; F196-D211 HydrophobicContact CG-CB 4.11Å; F196-D211 HydrophobicContact CZ-CB 3.42Å; F196-D211 VanDerWaalsContact CZ-CB 3.42Å; F196-D211 PolarHBondContact N-O 3.5Å
212L96.3Very high91.3Very high0 Ų035 Ų350%020%0.198CC..EExtended strand (participates in β ladder)trans-113.1141.4179.3-57.7-172.4000110.8I180 V193 S194 I195 I210 L296 D297 I298 S299I180-L212 HydrophobicContact CD1-CD1 3.77Å; V193-L212 HydrophobicContact CG1-CB 4.32Å; V193-L212 HydrophobicContact CG1-CD1 4.26Å; S194-L212 WeakPolarHBondContact O-CA 3.3Å; I195-L212 HydrophobicContact CB-CD2 4.24Å; I195-L212 HydrophobicContact CG1-CD2 3.48Å; I195-L212 VanDerWaalsContact CG1-CD2 3.48Å; I210-L212 HydrophobicContact CG2-CD2 3.65Å; I210-L212 HydrophobicContact CG2-CG 4.01Å; L212-L296 HydrophobicContact CD1-CD1 3.79Å; L212-L296 HydrophobicContact CG-CD1 3.86Å; L212-D297 PolarHBondContact N-O 2.92Å; L212-I298 HydrophobicContact CB-CB 4.47Å; L212-I298 HydrophobicContact CB-CG1 4.27Å; L212-I298 HydrophobicContact CB-CG2 4.2Å; L212-I298 HydrophobicContact CD1-CD1 4.4Å; L212-I298 HydrophobicContact CD1-CG1 4.22Å; L212-I298 WeakPolarHBondContact O-CA 3.41Å; L212-S299 PolarHBondContact O-N 3.33Å; L212-S299 PolarHBondContact O-OG 3.44Å
213V93.9Very high90.9Very high10 Ų1033.8 Ų33.86%0.06118%0.184CC..EExtended strand (participates in β ladder)trans-120.1125.9167.660.90000109.6V193 S194 F196 L301 T317V193-V213 WeakPolarHBondContact CA-O 3.5Å; S194-V213 PolarHBondContact N-O 2.87Å; S194-V213 PolarHBondContact O-N 3.16Å; F196-V213 HydrophobicContact CD1-CB 4.21Å; F196-V213 HydrophobicContact CD1-CG1 4.09Å; F196-V213 HydrophobicContact CE1-CB 4.06Å; F196-V213 HydrophobicContact CE1-CG1 4.44Å; V213-L301 HydrophobicContact CG2-CD1 3.43Å; V213-L301 VanDerWaalsContact CG2-CD1 3.43Å; V213-L301 HydrophobicContact CG2-CG 3.87Å; V213-T317 HydrophobicContact CG1-CG2 4.11Å
214V95Very high90.3Very high0 Ų035.3 Ų35.30%019%0.191CC..EExtended strand (participates in β ladder)trans-96.2112.3173.8-178.30000108.5L184 T191 V193 L216 F255 L259 I298 S299 S300 L301L184-V214 HydrophobicContact CD1-CG1 3.68Å; L184-V214 HydrophobicContact CD1-CG2 4.24Å; T191-V214 HydrophobicContact CG2-CG1 3.82Å; V193-V214 HydrophobicContact CG1-CG2 4.32Å; V193-V214 HydrophobicContact CG2-CG1 4.45Å; V193-V214 HydrophobicContact CG2-CG2 4.16Å; V214-L216 HydrophobicContact CG1-CD2 4.08Å; V214-L216 HydrophobicContact CG1-CG 4.23Å; V214-F255 HydrophobicContact CB-CE1 4.5Å; V214-F255 HydrophobicContact CG1-CE1 4.12Å; V214-F255 HydrophobicContact CG1-CZ 4.07Å; V214-L259 HydrophobicContact CG2-CD2 4.16Å; V214-I298 HydrophobicContact CG2-CG2 3.68Å; V214-S299 PolarHBondContact N-O 2.75Å; V214-S300 CarbonylContact O-C 3.54Å; V214-S300 VanDerWaalsContact O-CA 3.31Å; V214-S300 WeakPolarHBondContact O-CA 3.45Å; V214-L301 PolarHBondContact O-N 2.9Å
215K92.7Very high89.7Confident65 Ų6537.7 Ų37.728%0.28320%0.198SC..EExtended strand (participates in β ladder)trans-91.8113.8170.7-178.4-177.4168.7-173.60108.7T191 E192 L306T191-K215 WeakPolarHBondContact CA-O 3.47Å; E192-K215 HydrophobicContact CB-CB 4.36Å; E192-K215 PolarHBondContact N-O 2.89Å; E192-K215 VanDerWaalsContact N-O 3.11Å; E192-K215 PolarHBondContact O-N 3.43Å; K215-L306 HydrophobicContact CD-CD1 4.45Å
216L91.7Very high89.2Confident1 Ų137.7 Ų37.71%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-89.9141.3175.9-65.9168.7000110.6F188 T191 V214 Y220 F255 L301 E303F188-L216 HydrophobicContact CD2-CD2 4.26Å; T191-L216 HydrophobicContact CG2-CD2 4.37Å; V214-L216 HydrophobicContact CG1-CD2 4.08Å; V214-L216 HydrophobicContact CG1-CG 4.23Å; L216-Y220 HydrophobicContact CB-CD1 3.99Å; L216-Y220 HydrophobicContact CB-CG 4.12Å; L216-Y220 HydrophobicContact CD1-CD1 4.06Å; L216-Y220 HydrophobicContact CD1-CD2 4.06Å; L216-Y220 HydrophobicContact CD1-CE1 3.95Å; L216-Y220 HydrophobicContact CD1-CE2 3.92Å; L216-Y220 HydrophobicContact CD1-CG 4.12Å; L216-Y220 HydrophobicContact CD2-CD2 4.45Å; L216-Y220 HydrophobicContact CD2-CG 4.47Å; L216-Y220 HydrophobicContact CG-CG 4.48Å; L216-F255 HydrophobicContact CD1-CB 4.49Å; L216-F255 HydrophobicContact CD1-CD1 3.77Å; L216-F255 HydrophobicContact CD1-CD2 3.7Å; L216-F255 HydrophobicContact CD1-CE1 3.87Å; L216-F255 HydrophobicContact CD1-CE2 3.8Å; L216-F255 HydrophobicContact CD1-CG 3.69Å; L216-F255 HydrophobicContact CD1-CZ 3.88Å; L216-F255 HydrophobicContact CD2-CD2 4.42Å; L216-F255 HydrophobicContact CD2-CE1 4.38Å; L216-F255 HydrophobicContact CD2-CE2 3.71Å; L216-F255 HydrophobicContact CD2-CZ 3.7Å; L216-F255 HydrophobicContact CG-CE1 4.39Å; L216-F255 HydrophobicContact CG-CE2 4.33Å; L216-F255 HydrophobicContact CG-CZ 4.19Å; L216-L301 PolarHBondContact N-O 3.07Å; L216-E303 PolarHBondContact O-N 3.38Å
217P89.6Confident88.3Confident23 Ų2336.5 Ų36.515%0.14919%0.191CC..PPolyproline II helixtrans-65160.4174.730.7-37.3000111.3F188 R189 N219 Y220F188-P217 HydrophobicContact CB-CG 4.43Å; R189-P217 WeakPolarHBondContact O-CG 3.34Å; P217-N219 PolarHBondContact O-N 3.47Å; P217-Y220 PolarHBondContact O-N 3.35Å
218L84.2Confident87.4Confident94 Ų9439.3 Ų39.349%0.49220%0.203SC..THydrogen-bonded Turntrans-52.7140.2165.6-73.1172.2000111Y220 E303L218-Y220 PolarHBondContact O-N 2.84Å; L218-E303 HydrophobicContact CD1-CG 4.26Å; L218-E303 HydrophobicContact CD2-CB 3.77Å; L218-E303 HydrophobicContact CD2-CG 4.04Å; L218-E303 HydrophobicContact CG-CB 3.73Å; L218-E303 HydrophobicContact CG-CG 3.7Å; L218-E303 WeakPolarHBondContact CG-OE2 3.49Å; L218-E303 PolarHBondContact N-OE2 3.35Å
219N83.4Confident86Confident118 Ų11841.7 Ų41.763%0.63122%0.22SC*.THydrogen-bonded Turntrans54.835.2177.6-50-43.6000113.7P217 D221 N222P217-N219 PolarHBondContact O-N 3.47Å; N219-D221 VanDerWaalsContact C-OD1 3.31Å; N219-D221 WeakPolarHBondContact CA-OD1 3.49Å; N219-D221 PolarHBondContact O-N 3.05Å; N219-D221 VanDerWaalsContact O-N 3.07Å; N219-N222 HydrophobicContact CB-CB 4.38Å; N219-N222 WeakPolarHBondContact O-CB 3.34Å; N219-N222 PolarHBondContact O-N 3.43Å
220Y86.2Confident84.3Confident23 Ų2347.3 Ų47.39%0.0924%0.24CC..THydrogen-bonded Turntrans-57.5-20.2176.974.9-85.4000113.4F188 L216 P217 L218 N222 L251 K252 F255 T302F188-Y220 HydrophobicContact CD1-CD2 4.14Å; F188-Y220 WeakPolarHBondContact CD1-O 3.32Å; F188-Y220 HydrophobicContact CE1-CD2 4Å; F188-Y220 WeakPolarHBondContact CE1-O 3.42Å; F188-Y220 HydrophobicContact CZ-CD2 4.47Å; L216-Y220 HydrophobicContact CB-CD1 3.99Å; L216-Y220 HydrophobicContact CB-CG 4.12Å; L216-Y220 HydrophobicContact CD1-CD1 4.06Å; L216-Y220 HydrophobicContact CD1-CD2 4.06Å; L216-Y220 HydrophobicContact CD1-CE1 3.95Å; L216-Y220 HydrophobicContact CD1-CE2 3.92Å; L216-Y220 HydrophobicContact CD1-CG 4.12Å; L216-Y220 HydrophobicContact CD2-CD2 4.45Å; L216-Y220 HydrophobicContact CD2-CG 4.47Å; L216-Y220 HydrophobicContact CG-CG 4.48Å; P217-Y220 PolarHBondContact O-N 3.35Å; L218-Y220 PolarHBondContact O-N 2.84Å; Y220-N222 VanDerWaalsContact C-N 3.31Å; Y220-L251 HydrophobicContact CE2-CB 4.13Å; Y220-L251 PolarHBondContact OH-O 3.14Å; Y220-K252 WeakPolarHBondContact OH-CA 3.49Å; Y220-K252 PolarHBondContact OH-O 3.46Å; Y220-F255 HydrophobicContact CE2-CB 4.5Å; Y220-F255 AromaticContact CE2-CD2 3.94Å; Y220-F255 HydrophobicContact CE2-CD2 3.94Å; Y220-T302 HydrophobicContact CD1-CG2 4.42Å; Y220-T302 HydrophobicContact CE1-CG2 3.82Å
221D82.1Confident82.2Confident36 Ų3652.6 Ų52.619%0.19328%0.275CS..THydrogen-bonded Turntrans-74.6-14.9173.356.6-38.6000113.5N219 L223 K252N219-D221 VanDerWaalsContact C-OD1 3.31Å; N219-D221 WeakPolarHBondContact CA-OD1 3.49Å; N219-D221 PolarHBondContact O-N 3.05Å; N219-D221 VanDerWaalsContact O-N 3.07Å; D221-L223 PolarHBondContact O-N 3.07Å; D221-L223 VanDerWaalsContact O-N 3.16Å; D221-K252 HydrophobicContact CB-CB 4.2Å; D221-K252 WeakPolarHBondContact OD2-CD 3.46Å; D221-K252 IonicContact OD2-NZ 4Å
222N85.3Confident80.2Confident96 Ų9657.1 Ų57.151%0.51330%0.299SS..  trans-79.696.3173.2-175.7-1.5000111.3N219 Y220 Q224 Y225N219-N222 HydrophobicContact CB-CB 4.38Å; N219-N222 WeakPolarHBondContact O-CB 3.34Å; N219-N222 PolarHBondContact O-N 3.43Å; Y220-N222 VanDerWaalsContact C-N 3.31Å; N222-Q224 WeakPolarHBondContact OD1-CB 3.4Å; N222-Q224 PolarHBondContact OD1-N 3.22Å; N222-Y225 WeakPolarHBondContact O-CD1 3.35Å; N222-Y225 VanDerWaalsContact O-CE1 3.28Å; N222-Y225 WeakPolarHBondContact O-CE1 3.19Å
223L84.4Confident77.7Confident3 Ų361.8 Ų61.82%0.01633%0.331CS..  trans-95.57.7-176.8-57.7-175.9000114.6V84 F188 D221 Y225 L226 L246 P248 L251V84-L223 HydrophobicContact CG1-CB 3.93Å; V84-L223 HydrophobicContact CG1-CD1 4.18Å; V84-L223 HydrophobicContact CG2-CD1 4.45Å; F188-L223 HydrophobicContact CD1-CD2 4.13Å; F188-L223 HydrophobicContact CE1-CD2 3.89Å; D221-L223 PolarHBondContact O-N 3.07Å; D221-L223 VanDerWaalsContact O-N 3.16Å; L223-Y225 PolarHBondContact O-N 2.81Å; L223-Y225 VanDerWaalsContact O-N 3.15Å; L223-L226 HydrophobicContact CB-CD1 4.29Å; L223-L226 HydrophobicContact CD2-CD1 3.99Å; L223-L226 WeakPolarHBondContact O-CB 3.4Å; L223-L226 PolarHBondContact O-N 2.73Å; L223-L246 HydrophobicContact CD1-CB 3.62Å; L223-L246 HydrophobicContact CD1-CD1 4.41Å; L223-P248 HydrophobicContact CD1-CG 4.31Å; L223-L251 HydrophobicContact CD1-CD1 3.8Å
224Q81.4Confident75.4Confident41 Ų4169.8 Ų69.819%0.19237%0.369CS..Hα-helixtrans-57.7-35.8-171.9-16964.415.500113S86 N222 L226 C227 D228S86-Q224 PolarHBondContact OG-OE1 2.78Å; N222-Q224 WeakPolarHBondContact OD1-CB 3.4Å; N222-Q224 PolarHBondContact OD1-N 3.22Å; Q224-L226 PolarHBondContact O-N 3.06Å; Q224-L226 VanDerWaalsContact O-N 3.16Å; Q224-C227 WeakPolarHBondContact O-CA 3.35Å; Q224-C227 WeakPolarHBondContact O-CB 3.39Å; Q224-C227 PolarHBondContact O-N 2.79Å; Q224-D228 PolarHBondContact O-N 2.83Å
225Y82.2Confident73Confident61 Ų6173.5 Ų73.524%0.23939%0.392CS..Hα-helixtrans-63-22.6178.570.7-92.5000114I187 F188 R189 N222 L223 C227 S229I187-Y225 PolarHBondContact O-OH 2.83Å; F188-Y225 WeakPolarHBondContact CA-OH 3.39Å; R189-Y225 HydrophobicContact CG-CE2 4.15Å; R189-Y225 PolarHBondContact N-OH 2.85Å; N222-Y225 WeakPolarHBondContact O-CD1 3.35Å; N222-Y225 VanDerWaalsContact O-CE1 3.28Å; N222-Y225 WeakPolarHBondContact O-CE1 3.19Å; L223-Y225 PolarHBondContact O-N 2.81Å; L223-Y225 VanDerWaalsContact O-N 3.15Å; Y225-C227 VanDerWaalsContact C-N 3.32Å; Y225-S229 PolarHBondContact O-OG 3.05Å
226L82.7Confident70.9Confident14 Ų1475.4 Ų75.47%0.07341%0.414CS..Hα-helixtrans-78.1-20.2174-62.4174000111.9V84 S91 F93 I187 L223 Q224 L246V84-L226 HydrophobicContact CG2-CB 4.05Å; V84-L226 HydrophobicContact CG2-CD1 3.88Å; S91-L226 WeakPolarHBondContact CB-O 3.33Å; S91-L226 PolarHBondContact OG-O 2.7Å; F93-L226 HydrophobicContact CE1-CB 4.27Å; F93-L226 HydrophobicContact CE1-CD1 3.82Å; F93-L226 HydrophobicContact CE1-CD2 4.07Å; F93-L226 HydrophobicContact CE1-CG 4.29Å; F93-L226 HydrophobicContact CZ-CD1 3.9Å; F93-L226 HydrophobicContact CZ-CD2 4.06Å; I187-L226 HydrophobicContact CG2-CD1 4.49Å; L223-L226 HydrophobicContact CB-CD1 4.29Å; L223-L226 HydrophobicContact CD2-CD1 3.99Å; L223-L226 WeakPolarHBondContact O-CB 3.4Å; L223-L226 PolarHBondContact O-N 2.73Å; Q224-L226 PolarHBondContact O-N 3.06Å; Q224-L226 VanDerWaalsContact O-N 3.16Å; L226-L246 HydrophobicContact CD1-CD1 4.16Å
227C74.2Confident68.9Low17 Ų1779.9 Ų79.912%0.11544%0.438CS..Hα-helixtrans-84-28.9174.1-63.40000112.4K89 Q224 Y225K89-C227 HydrophobicContact CB-CB 4.5Å; Q224-C227 WeakPolarHBondContact O-CA 3.35Å; Q224-C227 WeakPolarHBondContact O-CB 3.39Å; Q224-C227 PolarHBondContact O-N 2.79Å; Y225-C227 VanDerWaalsContact C-N 3.32Å
228D71Confident67Low108 Ų10883.4 Ų83.458%0.57846%0.455SS*.Hα-helixtrans-83.2-13.7-180-62.6-31.3000113.5Q224Q224-D228 PolarHBondContact O-N 2.83Å
229S64.8Low65.3Low58 Ų5888.8 Ų88.841%0.40648%0.475SS..SBendtrans-70130.7174.2-61.10000109.8Y225Y225-S229 PolarHBondContact O-OG 3.05Å
230K57Low63.8Low189 Ų18989 Ų8982%0.82247%0.472SS*.PPolyproline II helixtrans-49.2133.6173.8-79.3-175.6178.5178.70109.1N232K230-N232 PolarHBondContact O-N 3.01Å
231P53.5Low62.7Low111 Ų11189.4 Ų89.472%0.72148%0.477SS*.PPolyproline II helixtrans-56.8117.1175.122.3-30.9000108C233P231-C233 VanDerWaalsContact C-N 3.28Å; P231-C233 PolarHBondContact O-N 3.09Å
232N52.4Low62.4Low132 Ų13291 Ų9171%0.70648%0.482SS*.  trans-66.998.1170.4-86.8-17000106.7K230K230-N232 PolarHBondContact O-N 3.01Å
233C44.9Very low62.1Low98 Ų9890.3 Ų90.366%0.66248%0.477SS*.  trans22.3111.3162.2-158.70000116P231 T235P231-C233 VanDerWaalsContact C-N 3.28Å; P231-C233 PolarHBondContact O-N 3.09Å; C233-T235 VanDerWaalsContact C-N 3.33Å; C233-T235 PolarHBondContact O-N 3.06Å
234M44.3Very low62Low177 Ų17790.4 Ų90.487%0.87248%0.478SS*.  trans-6593.5159-62.5-159.9-28.200108.9
235T45.7Very low62.1Low79 Ų7991.6 Ų91.649%0.48549%0.491SS..  trans-82.1153.5155.856.70000108.6C233 D237C233-T235 VanDerWaalsContact C-N 3.33Å; C233-T235 PolarHBondContact O-N 3.06Å; T235-D237 PolarHBondContact O-N 3.23Å
236S48.3Very low62.2Low104 Ų10488.8 Ų88.873%0.72748%0.48SS*.SBendtrans-60.315.3-173.552.80000116.5L238S236-L238 VanDerWaalsContact C-N 3.27Å; S236-L238 PolarHBondContact O-N 3.13Å
237D49.4Very low62.3Low95 Ų9591.8 Ų91.851%0.50850%0.496SS..G310 helixtrans-86.711.3-170.8-64.4-26.1000113.8T235 F239 Q240 T241T235-D237 PolarHBondContact O-N 3.23Å; D237-F239 PolarHBondContact O-N 3.34Å; D237-Q240 PolarHBondContact O-N 3.43Å; D237-Q240 VanDerWaalsContact O-N 3.11Å; D237-T241 WeakPolarHBondContact O-CG2 3.46Å
238L49.4Very low62.6Low97 Ų9792.7 Ų92.751%0.50850%0.502SS..G310 helixtrans-53.8-26.2-178.8-74.3171.3000113.5S236 Q240 T241S236-L238 VanDerWaalsContact C-N 3.27Å; S236-L238 PolarHBondContact O-N 3.13Å; L238-Q240 PolarHBondContact O-N 3.44Å; L238-Q240 VanDerWaalsContact O-N 3.13Å; L238-T241 PolarHBondContact O-N 2.81Å; L238-T241 PolarHBondContact O-OG1 3.02Å
239F48.1Very low63.2Low208 Ų20893 Ų9391%0.91250%0.503SS*.G310 helixtrans-61.4-17.7179.2-71.8-79.9000114.7D237D237-F239 PolarHBondContact O-N 3.34Å
240Q53.7Low64.1Low121 Ų12193.7 Ų93.757%0.56550%0.499SS*.G310 helixtrans-123.620.8178.4-77.4178.9-10.700113.9D237 L238D237-Q240 PolarHBondContact O-N 3.43Å; D237-Q240 VanDerWaalsContact O-N 3.11Å; L238-Q240 PolarHBondContact O-N 3.44Å; L238-Q240 VanDerWaalsContact O-N 3.13Å
241T62.8Low65.6Low32 Ų3284.7 Ų84.720%0.19646%0.46CS..  trans-95.2129.2-174.658.90000113.1H81 D237 L238H81-T241 WeakPolarHBondContact CE1-CG2 3.17Å; H81-T241 VanDerWaalsContact ND1-CG2 3.29Å; H81-T241 WeakPolarHBondContact ND1-CG2 3.38Å; D237-T241 WeakPolarHBondContact O-CG2 3.46Å; L238-T241 PolarHBondContact O-N 2.81Å; L238-T241 PolarHBondContact O-OG1 3.02Å
242K74.4Confident66.9Low71 Ų7185.3 Ų85.331%0.30945%0.451SS..EExtended strand (participates in β ladder)trans-90.4135.8163-67.4177.6-179.9169.20108.8C79 I80 H81 K265C79-K242 PolarHBondContact O-N 3.3Å; I80-K242 WeakPolarHBondContact CA-O 3.29Å; I80-K242 HydrophobicContact CD1-CB 4.09Å; I80-K242 HydrophobicContact CD1-CD 4.04Å; I80-K242 HydrophobicContact CG1-CB 4.15Å; I80-K242 HydrophobicContact CG2-CB 4.37Å; I80-K242 WeakPolarHBondContact CG2-O 3.4Å; H81-K242 PolarHBondContact N-O 3.33Å; K242-K265 WeakPolarHBondContact CD-O 3.44Å; K242-K265 PolarHBondContact NZ-O 3.45Å
243I79.1Confident68.4Low80 Ų8084.9 Ų84.941%0.4145%0.449SS..EExtended strand (participates in β ladder)trans-106.8131.2180-61.3174.4000110.3H81 V83 M92 K265H81-I243 CarbonylContact O-C 3.53Å; H81-I243 WeakPolarHBondContact O-CA 3.39Å; V83-I243 HydrophobicContact CB-CG2 4.13Å; V83-I243 HydrophobicContact CG2-CG2 3.55Å; M92-I243 HydrophobicContact CE-CD1 4.2Å; I243-K265 PolarHBondContact O-NZ 3.26Å
244I83.1Confident70.6Confident6 Ų685.5 Ų85.53%0.03144%0.44CS..EExtended strand (participates in β ladder)trans-108.5125.6168.8-64.8167.1000108.4I80 H81 C82 V83 L95 L246 F258 M262 K265I80-I244 HydrophobicContact CG2-CD1 3.55Å; I80-I244 HydrophobicContact CG2-CG1 3.9Å; H81-I244 PolarHBondContact O-N 2.92Å; C82-I244 CarbonylContact C-O 3.58Å; C82-I244 WeakPolarHBondContact CA-O 3.24Å; V83-I244 PolarHBondContact N-O 2.99Å; L95-I244 HydrophobicContact CD1-CD1 3.96Å; I244-L246 HydrophobicContact CG2-CD2 4.33Å; I244-F258 HydrophobicContact CG2-CE2 3.83Å; I244-F258 HydrophobicContact CG2-CZ 4.47Å; I244-M262 HydrophobicContact CD1-CB 4.21Å; I244-M262 HydrophobicContact CD1-CG 3.66Å; I244-M262 HydrophobicContact CD1-SD 4.26Å; I244-K265 HydrophobicContact CG1-CD 3.77Å
245S83.8Confident72.9Confident66 Ų6677.6 Ų77.646%0.46240%0.401SS..EExtended strand (participates in β ladder)trans-86.8132.9172.1-165.80000109.4
246L84.8Confident75.2Confident2 Ų274.4 Ų74.41%0.0138%0.381CS..EExtended strand (participates in β ladder)trans-103112.8172.5-59.8174.9000108C82 V83 V84 F93 I187 L223 L226 I244 F258C82-L246 HydrophobicContact CB-CD1 3.94Å; C82-L246 HydrophobicContact CB-CG 4.42Å; V83-L246 PolarHBondContact O-N 2.95Å; V84-L246 HydrophobicContact CG2-CB 4Å; V84-L246 HydrophobicContact CG2-CD1 3.5Å; V84-L246 HydrophobicContact CG2-CG 4.25Å; F93-L246 HydrophobicContact CE1-CD1 4Å; F93-L246 HydrophobicContact CZ-CD1 3.9Å; I187-L246 HydrophobicContact CD1-CD2 4.43Å; I187-L246 HydrophobicContact CG2-CD1 3.69Å; I187-L246 HydrophobicContact CG2-CD2 3.93Å; I187-L246 HydrophobicContact CG2-CG 4.5Å; L223-L246 HydrophobicContact CD1-CB 3.62Å; L223-L246 HydrophobicContact CD1-CD1 4.41Å; L226-L246 HydrophobicContact CD1-CD1 4.16Å; I244-L246 HydrophobicContact CG2-CD2 4.33Å; L246-F258 HydrophobicContact CD2-CE2 3.47Å; L246-F258 VanDerWaalsContact CD2-CE2 3.47Å; L246-F258 HydrophobicContact CD2-CZ 3.53Å
247D83.6Confident77.4Confident77 Ų7773.4 Ų73.441%0.41236%0.362SS..  trans-114.4111.8177.7172.6-9000107.7D249 F250 L251D247-D249 VanDerWaalsContact C-N 3.32Å; D247-D249 PolarHBondContact O-N 3.39Å; D247-D249 PolarHBondContact OD1-N 2.89Å; D247-F250 HydrophobicContact CB-CB 3.86Å; D247-F250 PolarHBondContact O-N 3.36Å; D247-F250 PolarHBondContact OD1-N 3.42Å; D247-L251 WeakPolarHBondContact O-CB 3.47Å; D247-L251 WeakPolarHBondContact O-CG 3.45Å; D247-L251 PolarHBondContact O-N 2.64Å
248P81.5Confident79.5Confident36 Ų3669.2 Ų69.223%0.23434%0.339CS..Hα-helixtrans-53.3-42.9-178.9-2936.8000114.2L223 L251 K252L223-P248 HydrophobicContact CD1-CG 4.31Å; P248-L251 PolarHBondContact O-N 2.91Å; P248-K252 WeakPolarHBondContact O-CB 3.35Å; P248-K252 PolarHBondContact O-N 3.45Å
249D82.3Confident81.8Confident115 Ų11564.6 Ų64.662%0.61532%0.315SS*.Hα-helixtrans-70.5-38.9-177.1-72.9-30.6000111.1D247 N253D247-D249 VanDerWaalsContact C-N 3.32Å; D247-D249 PolarHBondContact O-N 3.39Å; D247-D249 PolarHBondContact OD1-N 2.89Å; D249-N253 PolarHBondContact O-N 2.97Å; D249-N253 PolarHBondContact O-ND2 3.39Å
250F85Confident84.1Confident71 Ų7155.6 Ų55.631%0.31128%0.276SS..Hα-helixtrans-67.3-40.6174.1-172.7-98.2000111.6D247 K254 F258D247-F250 HydrophobicContact CB-CB 3.86Å; D247-F250 PolarHBondContact O-N 3.36Å; D247-F250 PolarHBondContact OD1-N 3.42Å; F250-K254 HydrophobicContact CD1-CB 4.48Å; F250-K254 HydrophobicContact CD2-CB 4.12Å; F250-K254 HydrophobicContact CD2-CD 4.01Å; F250-K254 HydrophobicContact CE1-CB 4.23Å; F250-K254 HydrophobicContact CE2-CB 3.86Å; F250-K254 HydrophobicContact CE2-CD 3.56Å; F250-K254 HydrophobicContact CE2-CG 4.31Å; F250-K254 HydrophobicContact CG-CB 4.43Å; F250-K254 HydrophobicContact CZ-CB 3.92Å; F250-K254 HydrophobicContact CZ-CD 4.27Å; F250-K254 CarbonylContact O-C 3.55Å; F250-K254 VanDerWaalsContact O-CA 3.27Å; F250-K254 WeakPolarHBondContact O-CA 3.33Å; F250-K254 WeakPolarHBondContact O-CB 3.41Å; F250-K254 PolarHBondContact O-N 2.96Å; F250-F258 HydrophobicContact CD1-CB 4.04Å; F250-F258 HydrophobicContact CE1-CB 3.8Å
251L86.8Confident86Confident0 Ų057 Ų570%028%0.276CS..Hα-helixtrans-60.6-52.2177.3-75.7168.5000110.9F188 Y220 L223 D247 P248 N253 K254 F255 F258F188-L251 HydrophobicContact CE1-CD1 3.91Å; F188-L251 HydrophobicContact CE1-CD2 4.36Å; F188-L251 HydrophobicContact CZ-CD1 3.97Å; F188-L251 HydrophobicContact CZ-CD2 3.68Å; F188-L251 HydrophobicContact CZ-CG 4.44Å; Y220-L251 HydrophobicContact CE2-CB 4.13Å; Y220-L251 PolarHBondContact OH-O 3.14Å; L223-L251 HydrophobicContact CD1-CD1 3.8Å; D247-L251 WeakPolarHBondContact O-CB 3.47Å; D247-L251 WeakPolarHBondContact O-CG 3.45Å; D247-L251 PolarHBondContact O-N 2.64Å; P248-L251 PolarHBondContact O-N 2.91Å; L251-N253 VanDerWaalsContact C-N 3.28Å; L251-N253 PolarHBondContact O-N 3.43Å; L251-K254 PolarHBondContact O-N 3.22Å; L251-F255 HydrophobicContact CD2-CD2 4.44Å; L251-F255 WeakPolarHBondContact O-CA 3.3Å; L251-F255 WeakPolarHBondContact O-CB 3.38Å; L251-F255 PolarHBondContact O-N 3Å; L251-F258 HydrophobicContact CD2-CB 3.82Å; L251-F258 HydrophobicContact CD2-CD1 3.31Å; L251-F258 HydrophobicContact CD2-CD2 3.7Å; L251-F258 HydrophobicContact CD2-CE1 3.76Å; L251-F258 HydrophobicContact CD2-CE2 4.11Å; L251-F258 HydrophobicContact CD2-CG 3.28Å; L251-F258 HydrophobicContact CD2-CZ 4.13Å
252K82.4Confident87.5Confident125 Ų12555.6 Ų55.654%0.54327%0.267SS..Hα-helixtrans-53.9-42.7-179.4-173.9176.7-172.2163.50113.1Y220 D221 P248Y220-K252 WeakPolarHBondContact OH-CA 3.49Å; Y220-K252 PolarHBondContact OH-O 3.46Å; D221-K252 HydrophobicContact CB-CB 4.2Å; D221-K252 WeakPolarHBondContact OD2-CD 3.46Å; D221-K252 IonicContact OD2-NZ 4Å; P248-K252 WeakPolarHBondContact O-CB 3.35Å; P248-K252 PolarHBondContact O-N 3.45Å
253N83.9Confident88.6Confident122 Ų12252.3 Ų52.365%0.65225%0.253SS*.Hα-helixtrans-98.3-22.5-172.6-63.3-57.2000114D249 L251D249-N253 PolarHBondContact O-N 2.97Å; D249-N253 PolarHBondContact O-ND2 3.39Å; L251-N253 VanDerWaalsContact C-N 3.28Å; L251-N253 PolarHBondContact O-N 3.43Å
254K90Very high89.3Confident112 Ų11253.1 Ų53.149%0.48725%0.251SS..Hα-helixtrans-14238.6-168.2-65.4-174.5178.2178.40112.6F250 L251 L256 Y257 F258F250-K254 HydrophobicContact CD1-CB 4.48Å; F250-K254 HydrophobicContact CD2-CB 4.12Å; F250-K254 HydrophobicContact CD2-CD 4.01Å; F250-K254 HydrophobicContact CE1-CB 4.23Å; F250-K254 HydrophobicContact CE2-CB 3.86Å; F250-K254 HydrophobicContact CE2-CD 3.56Å; F250-K254 HydrophobicContact CE2-CG 4.31Å; F250-K254 HydrophobicContact CG-CB 4.43Å; F250-K254 HydrophobicContact CZ-CB 3.92Å; F250-K254 HydrophobicContact CZ-CD 4.27Å; F250-K254 CarbonylContact O-C 3.55Å; F250-K254 VanDerWaalsContact O-CA 3.27Å; F250-K254 WeakPolarHBondContact O-CA 3.33Å; F250-K254 WeakPolarHBondContact O-CB 3.41Å; F250-K254 PolarHBondContact O-N 2.96Å; L251-K254 PolarHBondContact O-N 3.22Å; K254-L256 VanDerWaalsContact C-N 3.33Å; K254-L256 PolarHBondContact O-N 3.24Å; K254-Y257 HydrophobicContact CB-CD2 4.01Å; K254-Y257 HydrophobicContact CD-CD2 4.38Å; K254-Y257 HydrophobicContact CG-CD2 4.24Å; K254-Y257 WeakPolarHBondContact O-CB 3.38Å; K254-Y257 PolarHBondContact O-N 2.89Å; K254-F258 PolarHBondContact O-N 3.37Å
255F92.6Very high89.8Confident11 Ų1155.3 Ų55.35%0.04826%0.26CS..Hα-helixtrans-49.3-46.5-179.5176.6-100.7000113.9L184 F188 V214 L216 Y220 L251 Y257 F258 L259L184-F255 HydrophobicContact CD1-CZ 4.3Å; L184-F255 HydrophobicContact CD2-CE2 4.24Å; L184-F255 HydrophobicContact CD2-CZ 4.06Å; F188-F255 HydrophobicContact CD2-CE2 4.48Å; F188-F255 AromaticContact CE2-CE2 3.9Å; F188-F255 HydrophobicContact CE2-CE2 3.9Å; F188-F255 HydrophobicContact CZ-CE2 4.46Å; V214-F255 HydrophobicContact CB-CE1 4.5Å; V214-F255 HydrophobicContact CG1-CE1 4.12Å; V214-F255 HydrophobicContact CG1-CZ 4.07Å; L216-F255 HydrophobicContact CD1-CB 4.49Å; L216-F255 HydrophobicContact CD1-CD1 3.77Å; L216-F255 HydrophobicContact CD1-CD2 3.7Å; L216-F255 HydrophobicContact CD1-CE1 3.87Å; L216-F255 HydrophobicContact CD1-CE2 3.8Å; L216-F255 HydrophobicContact CD1-CG 3.69Å; L216-F255 HydrophobicContact CD1-CZ 3.88Å; L216-F255 HydrophobicContact CD2-CD2 4.42Å; L216-F255 HydrophobicContact CD2-CE1 4.38Å; L216-F255 HydrophobicContact CD2-CE2 3.71Å; L216-F255 HydrophobicContact CD2-CZ 3.7Å; L216-F255 HydrophobicContact CG-CE1 4.39Å; L216-F255 HydrophobicContact CG-CE2 4.33Å; L216-F255 HydrophobicContact CG-CZ 4.19Å; Y220-F255 HydrophobicContact CE2-CB 4.5Å; Y220-F255 AromaticContact CE2-CD2 3.94Å; Y220-F255 HydrophobicContact CE2-CD2 3.94Å; L251-F255 HydrophobicContact CD2-CD2 4.44Å; L251-F255 WeakPolarHBondContact O-CA 3.3Å; L251-F255 WeakPolarHBondContact O-CB 3.38Å; L251-F255 PolarHBondContact O-N 3Å; F255-Y257 VanDerWaalsContact C-N 3.3Å; F255-Y257 PolarHBondContact O-N 3.41Å; F255-F258 HydrophobicContact CD2-CD1 4.18Å; F255-F258 HydrophobicContact CE2-CD1 4.12Å; F255-F258 HydrophobicContact CE2-CE1 4.45Å; F255-F258 WeakPolarHBondContact O-CA 3.49Å; F255-F258 WeakPolarHBondContact O-CB 3.47Å; F255-F258 PolarHBondContact O-N 2.89Å; F255-F258 VanDerWaalsContact O-N 3.08Å; F255-L259 HydrophobicContact CE1-CB 4.26Å; F255-L259 HydrophobicContact CE1-CD2 3.92Å; F255-L259 HydrophobicContact CZ-CB 4.29Å; F255-L259 HydrophobicContact CZ-CD2 4.21Å; F255-L259 WeakPolarHBondContact O-CB 3.47Å; F255-L259 PolarHBondContact O-N 3.01Å
256L94.2Very high90.3Very high12 Ų1253 Ų536%0.06324%0.242CC..Hα-helixtrans-63.3-34.8-179.8-67.5-178.8000112.8K254 L259 Q260 V276 P282 I284 S300K254-L256 VanDerWaalsContact C-N 3.33Å; K254-L256 PolarHBondContact O-N 3.24Å; L256-L259 PolarHBondContact O-N 2.82Å; L256-Q260 VanDerWaalsContact O-CB 3.26Å; L256-Q260 WeakPolarHBondContact O-CB 3.48Å; L256-Q260 PolarHBondContact O-N 3.28Å; L256-V276 HydrophobicContact CB-CG1 4.31Å; L256-P282 HydrophobicContact CD1-CB 3.62Å; L256-P282 WeakPolarHBondContact CD1-O 3.16Å; L256-I284 HydrophobicContact CB-CD1 4.48Å; L256-I284 HydrophobicContact CB-CG1 4.12Å; L256-I284 HydrophobicContact CD2-CD1 4.27Å; L256-I284 HydrophobicContact CD2-CG1 4.17Å; L256-I284 WeakPolarHBondContact O-CD1 3.48Å; L256-S300 WeakPolarHBondContact CD2-OG 3.36Å
257Y94.6Very high90.8Very high82 Ų8253 Ų5332%0.32224%0.242SC..Hα-helixtrans-69.1-38173.3-73.5-76000112K254 F255 R261 V276 H278K254-Y257 HydrophobicContact CB-CD2 4.01Å; K254-Y257 HydrophobicContact CD-CD2 4.38Å; K254-Y257 HydrophobicContact CG-CD2 4.24Å; K254-Y257 WeakPolarHBondContact O-CB 3.38Å; K254-Y257 PolarHBondContact O-N 2.89Å; F255-Y257 VanDerWaalsContact C-N 3.3Å; F255-Y257 PolarHBondContact O-N 3.41Å; Y257-R261 WeakPolarHBondContact O-CB 3.39Å; Y257-R261 PolarHBondContact O-N 3.04Å; Y257-V276 HydrophobicContact CD1-CB 4.36Å; Y257-V276 HydrophobicContact CD1-CG2 3.89Å; Y257-V276 HydrophobicContact CE1-CB 3.9Å; Y257-V276 HydrophobicContact CE1-CG1 4.36Å; Y257-V276 HydrophobicContact CE1-CG2 3.93Å; Y257-V276 HydrophobicContact CE2-CG1 4.16Å; Y257-V276 HydrophobicContact CG-CG2 4.37Å; Y257-H278 AromaticContact CE2-CE1 3.79Å; Y257-H278 AromaticContact CZ-NE2 3.78Å; Y257-H278 PolarHBondContact OH-CE1 2.79Å; Y257-H278 PolarHBondContact OH-NE2 3.31Å
258F94.3Very high91.2Very high8 Ų852.1 Ų52.14%0.03524%0.241CC..Hα-helixtrans-59.7-52.1171.9161.4-98.1000110.8L184 I187 F188 I244 L246 F250 L251 K254 F255 Q260 R261 M262L184-F258 HydrophobicContact CD2-CE1 4.49Å; I187-F258 HydrophobicContact CD1-CZ 4.27Å; F188-F258 AromaticContact CE2-CE1 3.87Å; F188-F258 HydrophobicContact CE2-CE1 3.87Å; F188-F258 AromaticContact CZ-CE1 3.98Å; F188-F258 HydrophobicContact CZ-CE1 3.98Å; F188-F258 HydrophobicContact CZ-CZ 4.42Å; I244-F258 HydrophobicContact CG2-CE2 3.83Å; I244-F258 HydrophobicContact CG2-CZ 4.47Å; L246-F258 HydrophobicContact CD2-CE2 3.47Å; L246-F258 VanDerWaalsContact CD2-CE2 3.47Å; L246-F258 HydrophobicContact CD2-CZ 3.53Å; F250-F258 HydrophobicContact CD1-CB 4.04Å; F250-F258 HydrophobicContact CE1-CB 3.8Å; L251-F258 HydrophobicContact CD2-CB 3.82Å; L251-F258 HydrophobicContact CD2-CD1 3.31Å; L251-F258 HydrophobicContact CD2-CD2 3.7Å; L251-F258 HydrophobicContact CD2-CE1 3.76Å; L251-F258 HydrophobicContact CD2-CE2 4.11Å; L251-F258 HydrophobicContact CD2-CG 3.28Å; L251-F258 HydrophobicContact CD2-CZ 4.13Å; K254-F258 PolarHBondContact O-N 3.37Å; F255-F258 HydrophobicContact CD2-CD1 4.18Å; F255-F258 HydrophobicContact CE2-CD1 4.12Å; F255-F258 HydrophobicContact CE2-CE1 4.45Å; F255-F258 WeakPolarHBondContact O-CA 3.49Å; F255-F258 WeakPolarHBondContact O-CB 3.47Å; F255-F258 PolarHBondContact O-N 2.89Å; F255-F258 VanDerWaalsContact O-N 3.08Å; F258-Q260 PolarHBondContact O-N 2.99Å; F258-R261 PolarHBondContact O-N 2.92Å; F258-M262 HydrophobicContact CE1-CE 4.33Å; F258-M262 HydrophobicContact CE1-SD 4.24Å; F258-M262 HydrophobicContact CZ-CB 4.45Å; F258-M262 HydrophobicContact CZ-SD 3.93Å; F258-M262 WeakPolarHBondContact O-CB 3.26Å; F258-M262 PolarHBondContact O-N 2.87Å
259L96.2Very high91.8Very high0 Ų054 Ų540%025%0.249CC..Hα-helixtrans-59.6-46.3-179.3176.157.6000110.8I180 L184 V214 F255 L256 R261 M262 L263 I284 I298I180-L259 HydrophobicContact CG2-CD1 4.39Å; L184-L259 HydrophobicContact CD1-CD1 4.17Å; L184-L259 HydrophobicContact CD2-CD1 4.21Å; L184-L259 HydrophobicContact CG-CD1 4.43Å; V214-L259 HydrophobicContact CG2-CD2 4.16Å; F255-L259 HydrophobicContact CE1-CB 4.26Å; F255-L259 HydrophobicContact CE1-CD2 3.92Å; F255-L259 HydrophobicContact CZ-CB 4.29Å; F255-L259 HydrophobicContact CZ-CD2 4.21Å; F255-L259 WeakPolarHBondContact O-CB 3.47Å; F255-L259 PolarHBondContact O-N 3.01Å; L256-L259 PolarHBondContact O-N 2.82Å; L259-R261 PolarHBondContact O-N 3.35Å; L259-M262 HydrophobicContact CD1-CE 3.56Å; L259-M262 PolarHBondContact O-N 2.89Å; L259-L263 HydrophobicContact CD1-CD1 3.76Å; L259-L263 HydrophobicContact CD1-CD2 4.37Å; L259-L263 HydrophobicContact CD1-CG 3.87Å; L259-L263 HydrophobicContact CG-CD1 3.84Å; L259-L263 HydrophobicContact CG-CG 4.38Å; L259-L263 WeakPolarHBondContact O-CB 3.49Å; L259-L263 VanDerWaalsContact O-CG 3.26Å; L259-L263 WeakPolarHBondContact O-CG 3.36Å; L259-L263 PolarHBondContact O-N 3.03Å; L259-I284 HydrophobicContact CB-CD1 3.92Å; L259-I284 HydrophobicContact CD2-CD1 3.8Å; L259-I284 HydrophobicContact CG-CD1 3.69Å; L259-I298 HydrophobicContact CD2-CG2 4Å
260Q96.5Very high92.5Very high18 Ų1848.7 Ų48.78%0.08422%0.221CC..Hα-helixtrans-55.7-49.5174.8-175.3-162.650.600111.8L256 F258 M262 L263 R264 S274 V276 I284L256-Q260 VanDerWaalsContact O-CB 3.26Å; L256-Q260 WeakPolarHBondContact O-CB 3.48Å; L256-Q260 PolarHBondContact O-N 3.28Å; F258-Q260 PolarHBondContact O-N 2.99Å; Q260-M262 VanDerWaalsContact C-N 3.32Å; Q260-M262 PolarHBondContact O-N 3.19Å; Q260-L263 PolarHBondContact O-N 3.13Å; Q260-R264 WeakPolarHBondContact O-CG 3.42Å; Q260-R264 PolarHBondContact O-N 3.06Å; Q260-S274 WeakPolarHBondContact CG-OG 3.38Å; Q260-S274 PolarHBondContact NE2-O 3.42Å; Q260-V276 HydrophobicContact CB-CG2 4.41Å; Q260-I284 HydrophobicContact CB-CD1 4.08Å; Q260-I284 HydrophobicContact CB-CG1 4.38Å
261R94.5Very high93Very high152 Ų15245.3 Ų45.357%0.57421%0.206SC*.Hα-helixtrans-62.7-39.8179.4-177.9178.4180177.8-1111.7Y257 F258 L259 K265Y257-R261 WeakPolarHBondContact O-CB 3.39Å; Y257-R261 PolarHBondContact O-N 3.04Å; F258-R261 PolarHBondContact O-N 2.92Å; L259-R261 PolarHBondContact O-N 3.35Å; R261-K265 PolarHBondContact O-N 3.38Å
262M94.6Very high93.4Very high2 Ų250.7 Ų50.71%0.0123%0.229CC..Hα-helixtrans-63.8-50.2176.4171.4170.680.800111.1I183 L184 I187 I244 F258 L259 Q260 R264 K265 L266I183-M262 HydrophobicContact CG2-CE 3.81Å; I183-M262 HydrophobicContact CG2-SD 3.64Å; L184-M262 HydrophobicContact CD2-CE 3.57Å; L184-M262 HydrophobicContact CG-CE 4.06Å; I187-M262 HydrophobicContact CD1-SD 3.78Å; I244-M262 HydrophobicContact CD1-CB 4.21Å; I244-M262 HydrophobicContact CD1-CG 3.66Å; I244-M262 HydrophobicContact CD1-SD 4.26Å; F258-M262 HydrophobicContact CE1-CE 4.33Å; F258-M262 HydrophobicContact CE1-SD 4.24Å; F258-M262 HydrophobicContact CZ-CB 4.45Å; F258-M262 HydrophobicContact CZ-SD 3.93Å; F258-M262 WeakPolarHBondContact O-CB 3.26Å; F258-M262 PolarHBondContact O-N 2.87Å; L259-M262 HydrophobicContact CD1-CE 3.56Å; L259-M262 PolarHBondContact O-N 2.89Å; Q260-M262 VanDerWaalsContact C-N 3.32Å; Q260-M262 PolarHBondContact O-N 3.19Å; M262-R264 VanDerWaalsContact C-N 3.32Å; M262-R264 PolarHBondContact O-N 2.73Å; M262-K265 WeakPolarHBondContact O-CA 3.33Å; M262-K265 WeakPolarHBondContact O-CB 3.34Å; M262-K265 PolarHBondContact O-N 2.88Å; M262-L266 HydrophobicContact CG-CD1 3.58Å; M262-L266 HydrophobicContact CG-CG 4.29Å; M262-L266 WeakPolarHBondContact O-CG 3.41Å; M262-L266 PolarHBondContact O-N 2.91Å; M262-L266 HydrophobicContact SD-CD1 4.37Å
263L96.4Very high94Very high1 Ų152.6 Ų52.61%0.00523%0.234CC..Hα-helixtrans-61.3-39.5-180-67.4170.1000112.1F98 I180 L259 Q260 K265 L266 D267 F271 I298F98-L263 HydrophobicContact CE2-CD2 4.37Å; F98-L263 HydrophobicContact CZ-CD2 4.02Å; I180-L263 HydrophobicContact CD1-CD2 4.32Å; I180-L263 HydrophobicContact CG1-CD2 3.97Å; L259-L263 HydrophobicContact CD1-CD1 3.76Å; L259-L263 HydrophobicContact CD1-CD2 4.37Å; L259-L263 HydrophobicContact CD1-CG 3.87Å; L259-L263 HydrophobicContact CG-CD1 3.84Å; L259-L263 HydrophobicContact CG-CG 4.38Å; L259-L263 WeakPolarHBondContact O-CB 3.49Å; L259-L263 VanDerWaalsContact O-CG 3.26Å; L259-L263 WeakPolarHBondContact O-CG 3.36Å; L259-L263 PolarHBondContact O-N 3.03Å; Q260-L263 PolarHBondContact O-N 3.13Å; L263-K265 PolarHBondContact O-N 3.15Å; L263-L266 HydrophobicContact CD2-CD1 4.3Å; L263-L266 PolarHBondContact O-N 3.24Å; L263-D267 PolarHBondContact O-N 2.99Å; L263-F271 HydrophobicContact CB-CB 4.22Å; L263-F271 HydrophobicContact CB-CD1 3.68Å; L263-F271 HydrophobicContact CB-CD2 3.89Å; L263-F271 HydrophobicContact CB-CE1 3.96Å; L263-F271 HydrophobicContact CB-CE2 4.16Å; L263-F271 HydrophobicContact CB-CG 3.65Å; L263-F271 HydrophobicContact CB-CZ 4.18Å; L263-F271 HydrophobicContact CD1-CD1 4.01Å; L263-F271 HydrophobicContact CD1-CE1 3.69Å; L263-F271 HydrophobicContact CD1-CZ 4.21Å; L263-F271 HydrophobicContact CD2-CE1 4.33Å; L263-F271 HydrophobicContact CD2-CE2 4.3Å; L263-F271 HydrophobicContact CD2-CZ 4.01Å; L263-F271 HydrophobicContact CG-CD1 4.38Å; L263-F271 HydrophobicContact CG-CE1 4.2Å; L263-F271 HydrophobicContact CG-CZ 4.36Å; L263-I298 HydrophobicContact CD1-CD1 3.91Å
264R95.1Very high94.6Very high97 Ų9746.9 Ų46.937%0.36620%0.204SC..Hα-helixtrans-61.9-26.4171.7-74.4175.8179.9-177.9-2.7113.8Q260 M262 P268 F271 S274Q260-R264 WeakPolarHBondContact O-CG 3.42Å; Q260-R264 PolarHBondContact O-N 3.06Å; M262-R264 VanDerWaalsContact C-N 3.32Å; M262-R264 PolarHBondContact O-N 2.73Å; R264-P268 WeakPolarHBondContact O-CA 3.46Å; R264-P268 WeakPolarHBondContact O-CG 3.16Å; R264-F271 HydrophobicContact CG-CB 3.93Å; R264-F271 VanDerWaalsContact CG-O 3.3Å; R264-F271 WeakPolarHBondContact CG-O 3.42Å; R264-F271 PolarHBondContact NE-O 3.43Å; R264-S274 PolarHBondContact NE-OG 2.85Å; R264-S274 VanDerWaalsContact NE-OG 3.08Å; R264-S274 PolarHBondContact NH2-O 2.78Å
265K93.1Very high94.8Very high52 Ų5246.3 Ų46.323%0.22620%0.203CC..Hα-helixtrans-80.9-40.5174.3-76.4178.6171.4-176.70111.7I80 K242 I243 I244 R261 M262 L263I80-K265 HydrophobicContact CD1-CB 4.3Å; K242-K265 WeakPolarHBondContact CD-O 3.44Å; K242-K265 PolarHBondContact NZ-O 3.45Å; I243-K265 PolarHBondContact O-NZ 3.26Å; I244-K265 HydrophobicContact CG1-CD 3.77Å; R261-K265 PolarHBondContact O-N 3.38Å; M262-K265 WeakPolarHBondContact O-CA 3.33Å; M262-K265 WeakPolarHBondContact O-CB 3.34Å; M262-K265 PolarHBondContact O-N 2.88Å; L263-K265 PolarHBondContact O-N 3.15Å
266L93.6Very high94.8Very high18 Ų1846.8 Ų46.89%0.09421%0.207CC..Hα-helixtrans-66.2-47.5179.6-67.5161.3000111.6I80 F98 I183 M262 L263I80-L266 HydrophobicContact CB-CD2 4.38Å; I80-L266 HydrophobicContact CD1-CB 4.38Å; I80-L266 HydrophobicContact CD1-CD2 3.53Å; I80-L266 HydrophobicContact CD1-CG 3.97Å; I80-L266 HydrophobicContact CG1-CD2 4.08Å; F98-L266 HydrophobicContact CB-CB 4.16Å; F98-L266 HydrophobicContact CB-CD2 3.89Å; F98-L266 HydrophobicContact CD1-CB 3.6Å; F98-L266 HydrophobicContact CD2-CB 4.46Å; F98-L266 HydrophobicContact CD2-CD1 4.2Å; F98-L266 HydrophobicContact CE1-CB 4.01Å; F98-L266 HydrophobicContact CE2-CD1 4.4Å; F98-L266 HydrophobicContact CG-CB 3.84Å; F98-L266 HydrophobicContact CG-CD1 4.36Å; F98-L266 HydrophobicContact CG-CD2 4.26Å; F98-L266 HydrophobicContact CG-CG 4.38Å; I183-L266 HydrophobicContact CD1-CD2 4.23Å; I183-L266 HydrophobicContact CG1-CD1 4.26Å; I183-L266 HydrophobicContact CG2-CD1 4.08Å; M262-L266 HydrophobicContact CG-CD1 3.58Å; M262-L266 HydrophobicContact CG-CG 4.29Å; M262-L266 WeakPolarHBondContact O-CG 3.41Å; M262-L266 PolarHBondContact O-N 2.91Å; M262-L266 HydrophobicContact SD-CD1 4.37Å; L263-L266 HydrophobicContact CD2-CD1 4.3Å; L263-L266 PolarHBondContact O-N 3.24Å
267D94.9Very high94.6Very high2 Ų250 Ų501%0.01122%0.218CC..  trans-137.386.8175.9-178.79.8000110.7F98 S102 L263 L269 G270 F271F98-D267 HydrophobicContact CD1-CB 4.16Å; F98-D267 HydrophobicContact CE1-CB 3.91Å; S102-D267 WeakPolarHBondContact CB-OD1 3.31Å; S102-D267 VanDerWaalsContact CB-OD2 3.24Å; S102-D267 WeakPolarHBondContact CB-OD2 3.39Å; S102-D267 PolarHBondContact N-OD1 3.34Å; S102-D267 PolarHBondContact N-OD2 3.2Å; S102-D267 PolarHBondContact OG-OD2 2.89Å; L263-D267 PolarHBondContact O-N 2.99Å; D267-L269 VanDerWaalsContact C-N 3.29Å; D267-L269 PolarHBondContact O-N 2.86Å; D267-G270 PolarHBondContact O-N 3.23Å; D267-G270 PolarHBondContact OD1-N 3.18Å; D267-G270 VanDerWaalsContact OD2-CA 3.3Å; D267-G270 WeakPolarHBondContact OD2-CA 3.05Å; D267-F271 HydrophobicContact CB-CD2 3.99Å; D267-F271 HydrophobicContact CB-CE2 4.21Å; D267-F271 PolarHBondContact O-N 3.36Å
268P93.7Very high93.9Very high59 Ų5952.6 Ų52.638%0.38323%0.233SC..Hα-helixtrans-58.5-36.1-175.7-24.833.4000114.5R264 K272R264-P268 WeakPolarHBondContact O-CA 3.46Å; R264-P268 WeakPolarHBondContact O-CG 3.16Å; P268-K272 WeakPolarHBondContact O-CA 3.29Å; P268-K272 VanDerWaalsContact O-CB 3.3Å; P268-K272 WeakPolarHBondContact O-CB 3.48Å; P268-K272 PolarHBondContact O-N 3Å
269L93.8Very high92.9Very high76 Ų7654.4 Ų54.440%0.39825%0.254SS..Hα-helixtrans-81.8-30.8178.7-65-175.2000112D103 D267 S290D103-L269 HydrophobicContact CB-CD1 3.72Å; D103-L269 HydrophobicContact CB-CG 4.47Å; D267-L269 VanDerWaalsContact C-N 3.29Å; D267-L269 PolarHBondContact O-N 2.86Å; L269-S290 WeakPolarHBondContact O-CB 3.37Å; L269-S290 PolarHBondContact O-OG 2.75Å
270G95.4Very high91.6Very high2 Ų264 Ų642%0.02129%0.29CS..Hα-helixtrans-64.7-44175.200000113.2S102 D267 L286S102-G270 VanDerWaalsContact OG-CA 3.28Å; S102-G270 WeakPolarHBondContact OG-CA 3.49Å; D267-G270 PolarHBondContact O-N 3.23Å; D267-G270 PolarHBondContact OD1-N 3.18Å; D267-G270 VanDerWaalsContact OD2-CA 3.3Å; D267-G270 WeakPolarHBondContact OD2-CA 3.05Å; G270-L286 WeakPolarHBondContact O-CD2 3.49Å
271F96.6Very high90.8Very high0 Ų067 Ų670%031%0.309CS..Hα-helixtrans-112.19.3-169.7-65.8-90.2000114.8F98 L176 L263 R264 D267 Y273 S274 L286 I289 L296F98-F271 HydrophobicContact CE1-CE2 4.05Å; F98-F271 HydrophobicContact CZ-CE2 4.14Å; F98-F271 HydrophobicContact CZ-CZ 4.49Å; L176-F271 HydrophobicContact CD1-CZ 4.2Å; L263-F271 HydrophobicContact CB-CB 4.22Å; L263-F271 HydrophobicContact CB-CD1 3.68Å; L263-F271 HydrophobicContact CB-CD2 3.89Å; L263-F271 HydrophobicContact CB-CE1 3.96Å; L263-F271 HydrophobicContact CB-CE2 4.16Å; L263-F271 HydrophobicContact CB-CG 3.65Å; L263-F271 HydrophobicContact CB-CZ 4.18Å; L263-F271 HydrophobicContact CD1-CD1 4.01Å; L263-F271 HydrophobicContact CD1-CE1 3.69Å; L263-F271 HydrophobicContact CD1-CZ 4.21Å; L263-F271 HydrophobicContact CD2-CE1 4.33Å; L263-F271 HydrophobicContact CD2-CE2 4.3Å; L263-F271 HydrophobicContact CD2-CZ 4.01Å; L263-F271 HydrophobicContact CG-CD1 4.38Å; L263-F271 HydrophobicContact CG-CE1 4.2Å; L263-F271 HydrophobicContact CG-CZ 4.36Å; R264-F271 HydrophobicContact CG-CB 3.93Å; R264-F271 VanDerWaalsContact CG-O 3.3Å; R264-F271 WeakPolarHBondContact CG-O 3.42Å; R264-F271 PolarHBondContact NE-O 3.43Å; D267-F271 HydrophobicContact CB-CD2 3.99Å; D267-F271 HydrophobicContact CB-CE2 4.21Å; D267-F271 PolarHBondContact O-N 3.36Å; F271-Y273 PolarHBondContact O-N 2.62Å; F271-Y273 VanDerWaalsContact O-N 3.13Å; F271-S274 WeakPolarHBondContact O-CB 3.45Å; F271-S274 PolarHBondContact O-N 2.93Å; F271-S274 VanDerWaalsContact O-N 3.1Å; F271-S274 PolarHBondContact O-OG 2.97Å; F271-L286 HydrophobicContact CD1-CD1 4.2Å; F271-L286 HydrophobicContact CD1-CD2 3.84Å; F271-L286 HydrophobicContact CE1-CD2 4.32Å; F271-L286 HydrophobicContact CG-CD2 4.44Å; F271-I289 HydrophobicContact CE1-CD1 4.28Å; F271-I289 HydrophobicContact CE2-CD1 4.21Å; F271-I289 HydrophobicContact CZ-CD1 3.82Å; F271-L296 HydrophobicContact CE1-CD2 3.78Å; F271-L296 HydrophobicContact CZ-CD2 4.34Å
272K95Very high90.3Very high113 Ų11362.4 Ų62.449%0.49130%0.299SS..THydrogen-bonded Turntrans-46.5-46.2-177.1-171.1176.5173.9-167.40113.4P268P268-K272 WeakPolarHBondContact O-CA 3.29Å; P268-K272 VanDerWaalsContact O-CB 3.3Å; P268-K272 WeakPolarHBondContact O-CB 3.48Å; P268-K272 PolarHBondContact O-N 3Å
273Y95.2Very high90.2Very high166 Ų16664.1 Ų64.165%0.65131%0.308SS*.THydrogen-bonded Turntrans-102.414.1-172.6-53.6-61.3000113.9F271F271-Y273 PolarHBondContact O-N 2.62Å; F271-Y273 VanDerWaalsContact O-N 3.13Å
274S95.8Very high90.2Very high1 Ų164.1 Ų64.11%0.00731%0.308CS..  trans-58.1140.5173.651.20000111.4Q260 R264 F271 H285Q260-S274 WeakPolarHBondContact CG-OG 3.38Å; Q260-S274 PolarHBondContact NE2-O 3.42Å; R264-S274 PolarHBondContact NE-OG 2.85Å; R264-S274 VanDerWaalsContact NE-OG 3.08Å; R264-S274 PolarHBondContact NH2-O 2.78Å; F271-S274 WeakPolarHBondContact O-CB 3.45Å; F271-S274 PolarHBondContact O-N 2.93Å; F271-S274 VanDerWaalsContact O-N 3.1Å; F271-S274 PolarHBondContact O-OG 2.97Å; S274-H285 CarbonylContact C-O 3.43Å; S274-H285 WeakPolarHBondContact CA-O 3.33Å
275Q94.6Very high90.2Very high100 Ų10060 Ų6047%0.46729%0.293SS..EExtended strand (participates in β ladder)trans-128.2155.2176.4-62.7-173.14.900110.2Y277 I284 H285Q275-Y277 HydrophobicContact CB-CE2 4.39Å; Q275-Y277 PolarHBondContact OE1-OH 2.82Å; Q275-I284 CarbonylContact O-C 3.28Å; Q275-I284 VanDerWaalsContact O-CA 3.26Å; Q275-I284 WeakPolarHBondContact O-CA 3.39Å; Q275-H285 PolarHBondContact N-O 2.88Å; Q275-H285 PolarHBondContact O-N 3.07Å
276V93Very high90.3Very high22 Ų2257.8 Ų57.813%0.13328%0.284CS..EExtended strand (participates in β ladder)trans-107.8121.3173.8178.50000107.8L256 Y257 Q260 I283 I284L256-V276 HydrophobicContact CB-CG1 4.31Å; Y257-V276 HydrophobicContact CD1-CB 4.36Å; Y257-V276 HydrophobicContact CD1-CG2 3.89Å; Y257-V276 HydrophobicContact CE1-CB 3.9Å; Y257-V276 HydrophobicContact CE1-CG1 4.36Å; Y257-V276 HydrophobicContact CE1-CG2 3.93Å; Y257-V276 HydrophobicContact CE2-CG1 4.16Å; Y257-V276 HydrophobicContact CG-CG2 4.37Å; Q260-V276 HydrophobicContact CB-CG2 4.41Å; V276-I283 WeakPolarHBondContact CA-O 3.48Å; V276-I284 HydrophobicContact CG2-CG1 4.22Å
277Y89.2Confident90.3Very high79 Ų7962.4 Ų62.431%0.3131%0.308SS..EExtended strand (participates in β ladder)trans-102.5133.4175.7-69.8-69.4000111.3Q275 G279 P282 I283 H285Q275-Y277 HydrophobicContact CB-CE2 4.39Å; Q275-Y277 PolarHBondContact OE1-OH 2.82Å; Y277-G279 PolarHBondContact O-N 2.75Å; Y277-P282 VanDerWaalsContact O-CA 3.32Å; Y277-P282 WeakPolarHBondContact O-CA 3.39Å; Y277-I283 HydrophobicContact CD2-CG1 4.45Å; Y277-I283 PolarHBondContact N-O 3.35Å; Y277-I283 PolarHBondContact O-N 2.93Å; Y277-H285 HydrophobicContact CD2-CB 3.48Å; Y277-H285 VanDerWaalsContact CD2-CB 3.48Å; Y277-H285 HydrophobicContact CE2-CB 3.4Å; Y277-H285 AromaticContact CE2-CD2 3.59Å; Y277-H285 AromaticContact CE2-CG 3.63Å
278H80.8Confident90.2Very high137 Ų13770.2 Ų70.263%0.63434%0.338SS*.  trans-92.968.5177.8-63.3-71.3000110.4Y257Y257-H278 AromaticContact CE2-CE1 3.79Å; Y257-H278 AromaticContact CZ-NE2 3.78Å; Y257-H278 PolarHBondContact OH-CE1 2.79Å; Y257-H278 PolarHBondContact OH-NE2 3.31Å
279G72.3Confident90.2Very high45 Ų4567.4 Ų67.446%0.46432%0.319SS..SBendtrans-90-176.4172.100000112.4Y277 V281Y277-G279 PolarHBondContact O-N 2.75Å; G279-V281 PolarHBondContact O-N 3.09Å
280R69.8Low90.2Very high203 Ų20365.2 Ų65.277%0.76631%0.31SS*.SBendtrans-52.7-38.7169.1177.9179.3172.6179.1-3.2111.5C475R280-C475 PolarHBondContact NH1-SG 3.41Å; R280-C475 PolarHBondContact NH2-SG 2.86Å
281V78.7Confident90.1Very high79 Ų7965.1 Ų65.148%0.47931%0.309SS..SBendtrans-112108165.5-177.60000106.5G279 I283G279-V281 PolarHBondContact O-N 3.09Å; V281-I283 HydrophobicContact CG1-CG2 4.41Å
282P85.6Confident90Very high57 Ų5766.6 Ų66.637%0.3732%0.317SS..  trans-62.5138.9174.3-24.635.6000111.2L256 Y277L256-P282 HydrophobicContact CD1-CB 3.62Å; L256-P282 WeakPolarHBondContact CD1-O 3.16Å; Y277-P282 VanDerWaalsContact O-CA 3.32Å; Y277-P282 WeakPolarHBondContact O-CA 3.39Å
283I92.3Very high89.9Confident38 Ų3864.9 Ų64.920%0.19531%0.31CS..EExtended strand (participates in β ladder)trans-138.5150.6-179.160.9172.5000112V276 Y277 V281 H285 D297 I298V276-I283 WeakPolarHBondContact CA-O 3.48Å; Y277-I283 HydrophobicContact CD2-CG1 4.45Å; Y277-I283 PolarHBondContact N-O 3.35Å; Y277-I283 PolarHBondContact O-N 2.93Å; V281-I283 HydrophobicContact CG1-CG2 4.41Å; I283-H285 HydrophobicContact CD1-CB 4.36Å; I283-D297 HydrophobicContact CD1-CB 4.41Å; I283-I298 CarbonylContact C-O 3.51Å; I283-I298 VanDerWaalsContact CA-O 3.32Å; I283-I298 WeakPolarHBondContact CA-O 3.09Å
284I96.2Very high89.8Confident0 Ų057.4 Ų57.40%028%0.281CS..EExtended strand (participates in β ladder)trans-85.3122.8155.6-57.9166.7000107L256 L259 Q260 Q275 V276 L286 D297 I298L256-I284 HydrophobicContact CB-CD1 4.48Å; L256-I284 HydrophobicContact CB-CG1 4.12Å; L256-I284 HydrophobicContact CD2-CD1 4.27Å; L256-I284 HydrophobicContact CD2-CG1 4.17Å; L256-I284 WeakPolarHBondContact O-CD1 3.48Å; L259-I284 HydrophobicContact CB-CD1 3.92Å; L259-I284 HydrophobicContact CD2-CD1 3.8Å; L259-I284 HydrophobicContact CG-CD1 3.69Å; Q260-I284 HydrophobicContact CB-CD1 4.08Å; Q260-I284 HydrophobicContact CB-CG1 4.38Å; Q275-I284 CarbonylContact O-C 3.28Å; Q275-I284 VanDerWaalsContact O-CA 3.26Å; Q275-I284 WeakPolarHBondContact O-CA 3.39Å; V276-I284 HydrophobicContact CG2-CG1 4.22Å; I284-L286 HydrophobicContact CG2-CD1 3.91Å; I284-D297 CarbonylContact O-C 3.55Å; I284-D297 WeakPolarHBondContact O-CA 3.5Å; I284-I298 HydrophobicContact CB-CB 4.2Å; I284-I298 PolarHBondContact N-O 3.36Å; I284-I298 PolarHBondContact O-N 3.45Å
285H95.3Very high89.8Confident12 Ų1257.5 Ų57.56%0.05628%0.283CS..EExtended strand (participates in β ladder)trans-112.8137.6178.1176.772.9000111.1S274 Q275 Y277 I283 D287 L296 D297S274-H285 CarbonylContact C-O 3.43Å; S274-H285 WeakPolarHBondContact CA-O 3.33Å; Q275-H285 PolarHBondContact N-O 2.88Å; Q275-H285 PolarHBondContact O-N 3.07Å; Y277-H285 HydrophobicContact CD2-CB 3.48Å; Y277-H285 VanDerWaalsContact CD2-CB 3.48Å; Y277-H285 HydrophobicContact CE2-CB 3.4Å; Y277-H285 AromaticContact CE2-CD2 3.59Å; Y277-H285 AromaticContact CE2-CG 3.63Å; I283-H285 HydrophobicContact CD1-CB 4.36Å; H285-D287 PolarHBondContact NE2-N 3.23Å; H285-D287 IonicContact NE2-OD1 2.99Å; H285-D287 PolarHBondContact NE2-OD1 3.46Å; H285-D287 VanDerWaalsContact NE2-OD1 3.14Å; H285-L296 CarbonylContact C-O 3.56Å; H285-D297 IonicContact CE1-OD1 3.24Å; H285-D297 IonicContact CG-OD1 2.72Å; H285-D297 IonicContact ND1-OD1 3.84Å; H285-D297 PolarHBondContact ND1-OD1 2.8Å; H285-D297 IonicContact ND1-OD2 2.73Å
286L95.3Very high89.9Confident5 Ų552.8 Ų52.83%0.02626%0.26CS..EExtended strand (participates in β ladder)trans-128.5122.9163.9-68.574.7000108.1G270 F271 I284 R288 I289 G295 L296G270-L286 WeakPolarHBondContact O-CD2 3.49Å; F271-L286 HydrophobicContact CD1-CD1 4.2Å; F271-L286 HydrophobicContact CD1-CD2 3.84Å; F271-L286 HydrophobicContact CE1-CD2 4.32Å; F271-L286 HydrophobicContact CG-CD2 4.44Å; I284-L286 HydrophobicContact CG2-CD1 3.91Å; L286-R288 PolarHBondContact O-N 3.22Å; L286-R288 VanDerWaalsContact O-N 3.16Å; L286-I289 HydrophobicContact CD2-CB 4.24Å; L286-I289 HydrophobicContact CD2-CG1 4.42Å; L286-G295 CarbonylContact O-C 3.51Å; L286-G295 VanDerWaalsContact O-CA 3.22Å; L286-G295 WeakPolarHBondContact O-CA 3.49Å; L286-L296 HydrophobicContact CB-CB 4.29Å; L286-L296 HydrophobicContact CD1-CD2 4.17Å; L286-L296 HydrophobicContact CD1-CG 4.45Å; L286-L296 HydrophobicContact CD2-CD2 4.49Å; L286-L296 PolarHBondContact N-O 2.81Å; L286-L296 PolarHBondContact O-N 3.4Å
287D92.4Very high90Very high114 Ų11453.5 Ų53.561%0.6126%0.263SS*.SBendtrans-55.6-33.8169.9-72.7-52.7000112.1H285 G295H285-D287 PolarHBondContact NE2-N 3.23Å; H285-D287 IonicContact NE2-OD1 2.99Å; H285-D287 PolarHBondContact NE2-OD1 3.46Å; H285-D287 VanDerWaalsContact NE2-OD1 3.14Å; D287-G295 WeakPolarHBondContact O-CA 3.42Å
288R93.1Very high90.3Very high167 Ų16749.7 Ų49.763%0.6325%0.249SC*.  trans-156.6113.1-178.9-169.4177.2-69.5174.10.2112.4L286 K293 V294L286-R288 PolarHBondContact O-N 3.22Å; L286-R288 VanDerWaalsContact O-N 3.16Å; R288-K293 HydrophobicContact CG-CB 4.35Å; R288-K293 HydrophobicContact CG-CD 4.47Å; R288-V294 CarbonylContact C-O 3.54Å; R288-V294 VanDerWaalsContact CA-O 3.31Å; R288-V294 WeakPolarHBondContact CA-O 3.49Å
289I94.9Very high90.9Very high0 Ų043.3 Ų43.30%022%0.219CC..  trans-73.7130.2166.2-169.3171.2000110.3L176 F271 L286 I291 L292 K293 V294 L296L176-I289 HydrophobicContact CD1-CD1 3.75Å; L176-I289 HydrophobicContact CD2-CD1 3.82Å; L176-I289 HydrophobicContact CG-CD1 4.46Å; F271-I289 HydrophobicContact CE1-CD1 4.28Å; F271-I289 HydrophobicContact CE2-CD1 4.21Å; F271-I289 HydrophobicContact CZ-CD1 3.82Å; L286-I289 HydrophobicContact CD2-CB 4.24Å; L286-I289 HydrophobicContact CD2-CG1 4.42Å; I289-I291 VanDerWaalsContact C-N 3.27Å; I289-I291 HydrophobicContact CD1-CG2 3.86Å; I289-I291 HydrophobicContact CG1-CG2 3.91Å; I289-I291 HydrophobicContact CG2-CG2 4.41Å; I289-I291 PolarHBondContact O-N 3.4Å; I289-L292 HydrophobicContact CG2-CB 3.99Å; I289-L292 PolarHBondContact O-N 3.33Å; I289-K293 WeakPolarHBondContact O-CA 3.43Å; I289-K293 PolarHBondContact O-N 2.88Å; I289-V294 HydrophobicContact CG2-CG2 4.49Å; I289-V294 PolarHBondContact N-O 2.94Å; I289-L296 HydrophobicContact CD1-CD2 3.98Å
290S92.6Very high91.8Very high30 Ų3043 Ų4321%0.2121%0.21CC..THydrogen-bonded Turntrans-59.6-32.2-171.8-67.80000114.3L269 K293L269-S290 WeakPolarHBondContact O-CB 3.37Å; L269-S290 PolarHBondContact O-OG 2.75Å; S290-K293 VanDerWaalsContact O-CD 3.29Å; S290-K293 WeakPolarHBondContact O-CD 3.2Å; S290-K293 WeakPolarHBondContact O-CE 3.42Å; S290-K293 PolarHBondContact O-NZ 3.19Å
291I94.1Very high92.6Very high0 Ų034.7 Ų34.70%018%0.181CC..THydrogen-bonded Turntrans-77-30.5-176.4-169.361.7000114.5L17 L18 T19 T56 I100 S102 I289L17-I291 HydrophobicContact CB-CD1 4.21Å; L17-I291 HydrophobicContact CB-CG1 3.81Å; L17-I291 HydrophobicContact CD1-CG1 4.42Å; L18-I291 VanDerWaalsContact C-CD1 3.4Å; T19-I291 VanDerWaalsContact N-CD1 3.26Å; T19-I291 WeakPolarHBondContact OG1-CD1 3.49Å; T56-I291 HydrophobicContact CG2-CD1 3.87Å; T56-I291 HydrophobicContact CG2-CG1 4.07Å; T56-I291 WeakPolarHBondContact CG2-O 3.33Å; T56-I291 PolarHBondContact OG1-O 2.82Å; I100-I291 HydrophobicContact CG2-CB 4.14Å; I100-I291 HydrophobicContact CG2-CG1 4.24Å; I100-I291 HydrophobicContact CG2-CG2 3.71Å; S102-I291 PolarHBondContact OG-N 3Å; I289-I291 VanDerWaalsContact C-N 3.27Å; I289-I291 HydrophobicContact CD1-CG2 3.86Å; I289-I291 HydrophobicContact CG1-CG2 3.91Å; I289-I291 HydrophobicContact CG2-CG2 4.41Å; I289-I291 PolarHBondContact O-N 3.4Å
292L94.1Very high92.5Very high30 Ų3032.9 Ų32.916%0.15717%0.17CC..THydrogen-bonded Turntrans-117.1-10.4-176.1-65173.4000113.3L17 T56 A172 R173 L176 I210 I289 V294L17-L292 HydrophobicContact CD1-CD1 4.48Å; L17-L292 HydrophobicContact CD1-CD2 4Å; L17-L292 HydrophobicContact CD1-CG 4.43Å; T56-L292 HydrophobicContact CG2-CD2 4.48Å; A172-L292 HydrophobicContact CB-CD2 3.84Å; R173-L292 HydrophobicContact CG-CD1 4.22Å; L176-L292 HydrophobicContact CD2-CD1 4.45Å; I210-L292 HydrophobicContact CD1-CD1 3.57Å; I289-L292 HydrophobicContact CG2-CB 3.99Å; I289-L292 PolarHBondContact O-N 3.33Å; L292-V294 HydrophobicContact CB-CG2 3.91Å; L292-V294 PolarHBondContact O-N 3.1Å
293K92.1Very high91.4Very high77 Ų7733.3 Ų33.334%0.33517%0.167SC..SBendtrans57.128.7-179.4-50.8-56.1-174.3-165.10114.7L47 R288 I289 S290L47-K293 VanDerWaalsContact CD1-CE 3.44Å; L47-K293 HydrophobicContact CD1-CG 4.42Å; L47-K293 HydrophobicContact CD2-CG 3.63Å; R288-K293 HydrophobicContact CG-CB 4.35Å; R288-K293 HydrophobicContact CG-CD 4.47Å; I289-K293 WeakPolarHBondContact O-CA 3.43Å; I289-K293 PolarHBondContact O-N 2.88Å; S290-K293 VanDerWaalsContact O-CD 3.29Å; S290-K293 WeakPolarHBondContact O-CD 3.2Å; S290-K293 WeakPolarHBondContact O-CE 3.42Å; S290-K293 PolarHBondContact O-NZ 3.19Å
294V93.9Very high89.6Confident10 Ų1034.9 Ų34.96%0.06118%0.181CC..SBendtrans-122.2163.4174.4-63.10000110.9I206 I210 R288 I289 L292I206-V294 WeakPolarHBondContact O-CG1 3.44Å; I210-V294 HydrophobicContact CD1-CG2 3.76Å; I210-V294 HydrophobicContact CG1-CG2 3.87Å; R288-V294 CarbonylContact C-O 3.54Å; R288-V294 VanDerWaalsContact CA-O 3.31Å; R288-V294 WeakPolarHBondContact CA-O 3.49Å; I289-V294 HydrophobicContact CG2-CG2 4.49Å; I289-V294 PolarHBondContact N-O 2.94Å; L292-V294 HydrophobicContact CB-CG2 3.91Å; L292-V294 PolarHBondContact O-N 3.1Å
295G94.9Very high87.6Confident3 Ų338 Ų383%0.03120%0.2CC..  trans-66.3156.8173.700000112D209 I210 L286 D287D209-G295 WeakPolarHBondContact CA-O 3.33Å; D209-G295 WeakPolarHBondContact OD1-CA 3.3Å; D209-G295 PolarHBondContact OD1-N 2.67Å; I210-G295 PolarHBondContact N-O 2.84Å; L286-G295 CarbonylContact O-C 3.51Å; L286-G295 VanDerWaalsContact O-CA 3.22Å; L286-G295 WeakPolarHBondContact O-CA 3.49Å; D287-G295 WeakPolarHBondContact O-CA 3.42Å
296L97Very high85.5Confident0 Ų038.8 Ų38.80%021%0.205CC..EExtended strand (participates in β ladder)trans-142121.4178170.367.6000109.6L176 I210 L212 F271 H285 L286 I289 I298L176-L296 HydrophobicContact CD2-CD1 4.01Å; L176-L296 HydrophobicContact CD2-CD2 4.04Å; I210-L296 HydrophobicContact CB-CD1 3.89Å; I210-L296 HydrophobicContact CG2-CD1 3.97Å; I210-L296 WeakPolarHBondContact O-CA 3.36Å; L212-L296 HydrophobicContact CD1-CD1 3.79Å; L212-L296 HydrophobicContact CG-CD1 3.86Å; F271-L296 HydrophobicContact CE1-CD2 3.78Å; F271-L296 HydrophobicContact CZ-CD2 4.34Å; H285-L296 CarbonylContact C-O 3.56Å; L286-L296 HydrophobicContact CB-CB 4.29Å; L286-L296 HydrophobicContact CD1-CD2 4.17Å; L286-L296 HydrophobicContact CD1-CG 4.45Å; L286-L296 HydrophobicContact CD2-CD2 4.49Å; L286-L296 PolarHBondContact N-O 2.81Å; L286-L296 PolarHBondContact O-N 3.4Å; I289-L296 HydrophobicContact CD1-CD2 3.98Å; L296-I298 HydrophobicContact CD1-CD1 4.49Å; L296-I298 HydrophobicContact CD1-CG1 4.01Å; L296-I298 HydrophobicContact CD2-CD1 4.12Å; L296-I298 HydrophobicContact CD2-CG1 4.36Å; L296-I298 HydrophobicContact CG-CD1 4.32Å; L296-I298 HydrophobicContact CG-CG1 4Å
297D95.2Very high82.9Confident37 Ų3744.5 Ų44.520%0.19823%0.234CC..EExtended strand (participates in β ladder)trans-114.9131.6172.5-73-13.8000109.7I210 L212 I283 I284 H285I210-D297 PolarHBondContact O-N 2.92Å; L212-D297 PolarHBondContact N-O 2.92Å; I283-D297 HydrophobicContact CD1-CB 4.41Å; I284-D297 CarbonylContact O-C 3.55Å; I284-D297 WeakPolarHBondContact O-CA 3.5Å; H285-D297 IonicContact CE1-OD1 3.24Å; H285-D297 IonicContact CG-OD1 2.72Å; H285-D297 IonicContact ND1-OD1 3.84Å; H285-D297 PolarHBondContact ND1-OD1 2.8Å; H285-D297 IonicContact ND1-OD2 2.73Å
298I96.5Very high80.6Confident0 Ų045.7 Ų45.70%024%0.24CC..EExtended strand (participates in β ladder)trans-125.6110.3178.1-45.5179.5000109I180 L212 V214 L259 L263 I283 I284 L296I180-I298 HydrophobicContact CD1-CD1 4.1Å; L212-I298 HydrophobicContact CB-CB 4.47Å; L212-I298 HydrophobicContact CB-CG1 4.27Å; L212-I298 HydrophobicContact CB-CG2 4.2Å; L212-I298 HydrophobicContact CD1-CD1 4.4Å; L212-I298 HydrophobicContact CD1-CG1 4.22Å; L212-I298 WeakPolarHBondContact O-CA 3.41Å; V214-I298 HydrophobicContact CG2-CG2 3.68Å; L259-I298 HydrophobicContact CD2-CG2 4Å; L263-I298 HydrophobicContact CD1-CD1 3.91Å; I283-I298 CarbonylContact C-O 3.51Å; I283-I298 VanDerWaalsContact CA-O 3.32Å; I283-I298 WeakPolarHBondContact CA-O 3.09Å; I284-I298 HydrophobicContact CB-CB 4.2Å; I284-I298 PolarHBondContact N-O 3.36Å; I284-I298 PolarHBondContact O-N 3.45Å; L296-I298 HydrophobicContact CD1-CD1 4.49Å; L296-I298 HydrophobicContact CD1-CG1 4.01Å; L296-I298 HydrophobicContact CD2-CD1 4.12Å; L296-I298 HydrophobicContact CD2-CG1 4.36Å; L296-I298 HydrophobicContact CG-CD1 4.32Å; L296-I298 HydrophobicContact CG-CG1 4Å
299S93.3Very high78.1Confident3 Ų345.2 Ų45.22%0.02125%0.25CS..EExtended strand (participates in β ladder)trans-93.5162.6168.768.30000110.7L212 V214 H314L212-S299 PolarHBondContact O-N 3.33Å; L212-S299 PolarHBondContact O-OG 3.44Å; V214-S299 PolarHBondContact N-O 2.75Å; S299-H314 PolarHBondContact OG-NE2 3.04Å
300S90.5Very high75.6Confident37 Ų3748.7 Ų48.726%0.25929%0.286SS..EExtended strand (participates in β ladder)trans-131.2143.8172.762.70000111.3V214 L256V214-S300 CarbonylContact O-C 3.54Å; V214-S300 VanDerWaalsContact O-CA 3.31Å; V214-S300 WeakPolarHBondContact O-CA 3.45Å; L256-S300 WeakPolarHBondContact CD2-OG 3.36Å
301L86.5Confident73.2Confident30 Ų3052.7 Ų52.716%0.15730%0.301CS..EExtended strand (participates in β ladder)trans-125.4143.7173.2-61.2164000108.8V213 V214 L216 H314V213-L301 HydrophobicContact CG2-CD1 3.43Å; V213-L301 VanDerWaalsContact CG2-CD1 3.43Å; V213-L301 HydrophobicContact CG2-CG 3.87Å; V214-L301 PolarHBondContact O-N 2.9Å; L216-L301 PolarHBondContact N-O 3.07Å; L301-H314 HydrophobicContact CD1-CB 3.82Å
302T76.4Confident71.1Confident40 Ų4055.3 Ų55.325%0.24532%0.319CS..EExtended strand (participates in β ladder)trans-98.7153.1164.655.60000109.4Y220 S304 T305Y220-T302 HydrophobicContact CD1-CG2 4.42Å; Y220-T302 HydrophobicContact CE1-CG2 3.82Å; T302-S304 PolarHBondContact O-N 3.49Å; T302-S304 VanDerWaalsContact O-N 3.16Å; T302-S304 PolarHBondContact OG1-OG 3.43Å; T302-T305 PolarHBondContact N-OG1 3.1Å; T302-T305 VanDerWaalsContact N-OG1 3.09Å; T302-T305 PolarHBondContact O-N 3.22Å; T302-T305 PolarHBondContact O-OG1 2.98Å; T302-T305 PolarHBondContact OG1-OG1 3.21Å
303E62.7Low69.2Low66 Ų6656 Ų5631%0.30833%0.325SS..G310 helixtrans-61.5-22.6175.6-170.6154.4-13300112.5L216 L218 T305 L306L216-E303 PolarHBondContact O-N 3.38Å; L218-E303 HydrophobicContact CD1-CG 4.26Å; L218-E303 HydrophobicContact CD2-CB 3.77Å; L218-E303 HydrophobicContact CD2-CG 4.04Å; L218-E303 HydrophobicContact CG-CB 3.73Å; L218-E303 HydrophobicContact CG-CG 3.7Å; L218-E303 WeakPolarHBondContact CG-OE2 3.49Å; L218-E303 PolarHBondContact N-OE2 3.35Å; E303-T305 PolarHBondContact O-N 2.8Å; E303-L306 HydrophobicContact CB-CD1 4.36Å; E303-L306 HydrophobicContact CG-CD1 4.15Å; E303-L306 VanDerWaalsContact O-CB 3.24Å; E303-L306 WeakPolarHBondContact O-CB 3.45Å; E303-L306 PolarHBondContact O-N 3.26Å; E303-L306 VanDerWaalsContact O-N 3.08Å
304S53.7Low68Low71 Ų7153.3 Ų53.350%0.49731%0.314SS..G310 helixtrans-64.9-31.7169.2610000114.2T302 L306 I307T302-S304 PolarHBondContact O-N 3.49Å; T302-S304 VanDerWaalsContact O-N 3.16Å; T302-S304 PolarHBondContact OG1-OG 3.43Å; S304-L306 PolarHBondContact O-N 2.97Å; S304-I307 PolarHBondContact O-N 3.43Å
305T54.1Low67.1Low65 Ų6555.2 Ų55.240%0.39932%0.322SS..G310 helixtrans-70.6-2.1171.526.40000113.6T302 E303 T313T302-T305 PolarHBondContact N-OG1 3.1Å; T302-T305 VanDerWaalsContact N-OG1 3.09Å; T302-T305 PolarHBondContact O-N 3.22Å; T302-T305 PolarHBondContact O-OG1 2.98Å; T302-T305 PolarHBondContact OG1-OG1 3.21Å; E303-T305 PolarHBondContact O-N 2.8Å; T305-T313 VanDerWaalsContact O-CG2 3.23Å; T305-T313 WeakPolarHBondContact O-CG2 3.46Å; T305-T313 PolarHBondContact O-OG1 2.98Å
306L52Low66.6Low30 Ų3056.2 Ų56.216%0.15733%0.332CS..G310 helixtrans-96-9176-55.9173.7000113.5K215 E303 S304 N308K215-L306 HydrophobicContact CD-CD1 4.45Å; E303-L306 HydrophobicContact CB-CD1 4.36Å; E303-L306 HydrophobicContact CG-CD1 4.15Å; E303-L306 VanDerWaalsContact O-CB 3.24Å; E303-L306 WeakPolarHBondContact O-CB 3.45Å; E303-L306 PolarHBondContact O-N 3.26Å; E303-L306 VanDerWaalsContact O-N 3.08Å; S304-L306 PolarHBondContact O-N 2.97Å; L306-N308 VanDerWaalsContact C-N 3.35Å; L306-N308 PolarHBondContact O-N 2.99Å
307I41.2Very low66Low124 Ų12457.7 Ų57.764%0.63634%0.341SS*.THydrogen-bonded Turntrans-80.2-11.8-167.8-58.8177.6000113.4S304 N309S304-I307 PolarHBondContact O-N 3.43Å; I307-N309 PolarHBondContact O-N 3.41Å
308N43.2Very low65.5Low139 Ų13958.1 Ų58.174%0.74334%0.341SS*.THydrogen-bonded Turntrans-76.896.2168.5-70.8-11.9000109.3L306 G310L306-N308 VanDerWaalsContact C-N 3.35Å; L306-N308 PolarHBondContact O-N 2.99Å; N308-G310 PolarHBondContact O-N 3.3Å
309N41.6Very low65.2Low158 Ų15858.4 Ų58.485%0.84534%0.343SS*.THydrogen-bonded Turntrans68.417.3174.2-62.1-4.1000117.7I307 E311I307-N309 PolarHBondContact O-N 3.41Å; N309-E311 PolarHBondContact O-N 3.17Å
310G41.5Very low65.1Low72 Ų7258.3 Ų58.374%0.74234%0.342SS*.THydrogen-bonded Turntrans70.72.617000000115.3N308N308-G310 PolarHBondContact O-N 3.3Å
311E43.6Very low65Low115 Ų11559.5 Ų59.554%0.53734%0.343SS..SBendtrans-99.9136.1177.6-70.5-168.7-17200111.2N309 T313 K318N309-E311 PolarHBondContact O-N 3.17Å; E311-T313 PolarHBondContact O-N 3.18Å; E311-K318 IonicContact OE2-NZ 3.7Å; E311-K318 PolarHBondContact OE2-NZ 3.4Å
312S49.3Very low65.2Low54 Ų5458.4 Ų58.438%0.37834%0.337SS..  trans-57.9107.2-179.250.80000112.4H314 Y472S312-H314 PolarHBondContact O-N 3.18Å; S312-Y472 PolarHBondContact O-OH 3.36Å
313T53.7Low66Low46 Ų4656.7 Ų56.728%0.28233%0.327SS..  trans-66.16.9-178.6490000115.2T305 E311 H315 Y472T305-T313 VanDerWaalsContact O-CG2 3.23Å; T305-T313 WeakPolarHBondContact O-CG2 3.46Å; T305-T313 PolarHBondContact O-OG1 2.98Å; E311-T313 PolarHBondContact O-N 3.18Å; T313-H315 PolarHBondContact O-CD2 3.33Å; T313-H315 PolarHBondContact O-N 3.4Å; T313-Y472 WeakPolarHBondContact CA-OH 3.34Å
314H67.5Low67.3Low20 Ų2054 Ų549%0.09331%0.314CS..  trans-87.594175.4-157.4-78.6000111.3F196 S299 L301 S312 G316 T317F196-H314 AromaticContact CE1-CE1 3.5Å; F196-H314 VanDerWaalsContact CE1-CE1 3.5Å; F196-H314 WeakPolarHBondContact CE1-CE1 2.74Å; F196-H314 AromaticContact CE1-NE2 3.9Å; F196-H314 AromaticContact CE2-CE1 3.51Å; F196-H314 AromaticContact CZ-CE1 3.21Å; F196-H314 WeakPolarHBondContact CZ-CE1 3.34Å; F196-H314 AromaticContact CZ-NE2 3.77Å; S299-H314 PolarHBondContact OG-NE2 3.04Å; L301-H314 HydrophobicContact CD1-CB 3.82Å; S312-H314 PolarHBondContact O-N 3.18Å; H314-G316 PolarHBondContact ND1-N 3.39Å; H314-G316 PolarHBondContact O-N 3.17Å; H314-G316 VanDerWaalsContact O-N 3.08Å; H314-T317 HydrophobicContact CB-CG2 4.31Å; H314-T317 PolarHBondContact ND1-N 3.16Å; H314-T317 PolarHBondContact O-N 2.91Å; H314-T317 VanDerWaalsContact O-N 3.09Å; H314-T317 PolarHBondContact O-OG1 2.84Å
315H74.7Confident68.9Low50 Ų5051.3 Ų51.323%0.23129%0.294CS..Hα-helixtrans-53.4-36.7-177-55.5-166.9000112.4T313 T317 M319 Y472 C475T313-H315 PolarHBondContact O-CD2 3.33Å; T313-H315 PolarHBondContact O-N 3.4Å; H315-T317 PolarHBondContact O-N 2.9Å; H315-M319 WeakPolarHBondContact O-CB 3.46Å; H315-M319 PolarHBondContact O-N 3.06Å; H315-M319 VanDerWaalsContact O-N 3.16Å; H315-Y472 HydrophobicContact CB-CD2 3.69Å; H315-Y472 HydrophobicContact CB-CE2 3.97Å; H315-Y472 AromaticContact CD2-CD1 3.85Å; H315-Y472 AromaticContact CD2-CD2 3.07Å; H315-Y472 WeakPolarHBondContact CD2-CD2 3.35Å; H315-Y472 AromaticContact CD2-CE1 3.91Å; H315-Y472 AromaticContact CD2-CE2 3.17Å; H315-Y472 WeakPolarHBondContact CD2-CE2 3.26Å; H315-Y472 AromaticContact CD2-CG 3.45Å; H315-Y472 VanDerWaalsContact CD2-CG 3.45Å; H315-Y472 AromaticContact CD2-CZ 3.59Å; H315-Y472 AromaticContact CE1-CD2 3.79Å; H315-Y472 AromaticContact CE1-CG 3.5Å; H315-Y472 AromaticContact CG-CD2 3.18Å; H315-Y472 AromaticContact CG-CE2 3.62Å; H315-Y472 AromaticContact CG-CG 3.75Å; H315-Y472 AromaticContact ND1-CD2 3.63Å; H315-Y472 AromaticContact ND1-CG 3.77Å; H315-Y472 AromaticContact NE2-CD1 3.51Å; H315-Y472 AromaticContact NE2-CD2 3.53Å; H315-Y472 AromaticContact NE2-CE1 3.85Å; H315-Y472 AromaticContact NE2-CE2 3.91Å; H315-Y472 AromaticContact NE2-CG 3.34Å; H315-Y472 VanDerWaalsContact NE2-CG 3.34Å; H315-C475 VanDerWaalsContact CE1-SG 3.57Å
316G83.8Confident70.7Confident23 Ų2348.2 Ų48.224%0.23728%0.275CS..Hα-helixtrans-65.7-28.7-178.400000115.3H314 A320H314-G316 PolarHBondContact ND1-N 3.39Å; H314-G316 PolarHBondContact O-N 3.17Å; H314-G316 VanDerWaalsContact O-N 3.08Å; G316-A320 VanDerWaalsContact O-CB 3.23Å; G316-A320 WeakPolarHBondContact O-CB 3.44Å; G316-A320 PolarHBondContact O-N 2.9Å; G316-A320 VanDerWaalsContact O-N 3.09Å
317T84.5Confident72.6Confident32 Ų3247.4 Ų47.420%0.19627%0.271CS..Hα-helixtrans-78.6-46.8-177.351.70000111.1F196 V213 H314 H315 A320 E321F196-T317 HydrophobicContact CB-CG2 3.86Å; F196-T317 HydrophobicContact CD1-CG2 4.44Å; F196-T317 HydrophobicContact CG-CG2 4.19Å; V213-T317 HydrophobicContact CG1-CG2 4.11Å; H314-T317 HydrophobicContact CB-CG2 4.31Å; H314-T317 PolarHBondContact ND1-N 3.16Å; H314-T317 PolarHBondContact O-N 2.91Å; H314-T317 VanDerWaalsContact O-N 3.09Å; H314-T317 PolarHBondContact O-OG1 2.84Å; H315-T317 PolarHBondContact O-N 2.9Å; T317-A320 PolarHBondContact O-N 2.62Å; T317-E321 PolarHBondContact O-N 3.39Å
318K85.5Confident74.8Confident45 Ų4544.7 Ų44.720%0.19626%0.257CS..Hα-helixtrans-61.8-45176.2-69.3-173.8175.6-177.60111.2E311 A320 E321 I322 T471 Y472E311-K318 IonicContact OE2-NZ 3.7Å; E311-K318 PolarHBondContact OE2-NZ 3.4Å; K318-A320 VanDerWaalsContact C-N 3.34Å; K318-A320 PolarHBondContact O-N 3.25Å; K318-E321 PolarHBondContact O-N 3.29Å; K318-I322 WeakPolarHBondContact O-CG1 3.27Å; K318-I322 PolarHBondContact O-N 3.42Å; K318-I322 VanDerWaalsContact O-N 3.09Å; K318-T471 HydrophobicContact CB-CG2 3.76Å; K318-Y472 HydrophobicContact CD-CE2 4.3Å
319M90.5Very high76.9Confident7 Ų738 Ų383%0.03422%0.222CC..Hα-helixtrans-61.4-41.6175.9-178.558.9106.200111.9H315 E321 I322 L323 F361 F380 P470 I477H315-M319 WeakPolarHBondContact O-CB 3.46Å; H315-M319 PolarHBondContact O-N 3.06Å; H315-M319 VanDerWaalsContact O-N 3.16Å; M319-E321 VanDerWaalsContact C-N 3.28Å; M319-E321 PolarHBondContact O-N 3.38Å; M319-I322 PolarHBondContact O-N 3.12Å; M319-L323 HydrophobicContact CG-CD1 4Å; M319-L323 HydrophobicContact CG-CG 4.36Å; M319-L323 WeakPolarHBondContact O-CB 3.25Å; M319-L323 VanDerWaalsContact O-CG 3.24Å; M319-L323 WeakPolarHBondContact O-CG 3.49Å; M319-L323 PolarHBondContact O-N 3.33Å; M319-L323 HydrophobicContact SD-CD1 4.24Å; M319-L323 HydrophobicContact SD-CG 4.09Å; M319-F361 HydrophobicContact CE-CE2 4.09Å; M319-F361 HydrophobicContact CE-CZ 3.57Å; M319-F361 HydrophobicContact CG-CE2 3.71Å; M319-F361 HydrophobicContact CG-CZ 3.75Å; M319-F361 HydrophobicContact SD-CE2 4.4Å; M319-F361 HydrophobicContact SD-CZ 4.36Å; M319-F380 HydrophobicContact CE-CE2 4.05Å; M319-F380 HydrophobicContact SD-CE2 3.78Å; M319-P470 HydrophobicContact CE-CG 3.69Å; M319-P470 HydrophobicContact SD-CG 4.44Å; M319-I477 HydrophobicContact CE-CD1 3.92Å
320A91Very high79.2Confident1 Ų130.9 Ų30.91%0.00818%0.183CC..Hα-helixtrans-62.2-34.9176.300000112.7N201 G316 T317 K318 H324N201-A320 HydrophobicContact CB-CB 4.34Å; N201-A320 WeakPolarHBondContact CB-O 3.07Å; G316-A320 VanDerWaalsContact O-CB 3.23Å; G316-A320 WeakPolarHBondContact O-CB 3.44Å; G316-A320 PolarHBondContact O-N 2.9Å; G316-A320 VanDerWaalsContact O-N 3.09Å; T317-A320 PolarHBondContact O-N 2.62Å; K318-A320 VanDerWaalsContact C-N 3.34Å; K318-A320 PolarHBondContact O-N 3.25Å; A320-H324 WeakPolarHBondContact O-CB 3.47Å; A320-H324 PolarHBondContact O-N 3.4Å
321E87.1Confident81.5Confident62 Ų6231.4 Ų31.429%0.2917%0.174SC..Hα-helixtrans-68.3-46.3175.9-179.3160.1-138.700112.7M1 L2 T317 K318 M319 L323 H324 F325 I387M1-E321 PolarHBondContact N-OE1 3.24Å; L2-E321 HydrophobicContact CD2-CB 4.25Å; L2-E321 HydrophobicContact CG-CB 4.33Å; T317-E321 PolarHBondContact O-N 3.39Å; K318-E321 PolarHBondContact O-N 3.29Å; M319-E321 VanDerWaalsContact C-N 3.28Å; M319-E321 PolarHBondContact O-N 3.38Å; E321-L323 VanDerWaalsContact C-N 3.32Å; E321-L323 PolarHBondContact O-N 3.31Å; E321-H324 WeakPolarHBondContact O-CB 3.47Å; E321-H324 PolarHBondContact O-N 3.18Å; E321-F325 PolarHBondContact O-N 3.24Å; E321-I387 HydrophobicContact CG-CD1 4.49Å
322I90.8Very high83.9Confident6 Ų629.6 Ų29.63%0.03117%0.165CC..Hα-helixtrans-59.6-46.3176.2-63.6168.6000110.3K318 M319 H324 F325 L326 F380 L383 Q384 I387 T471K318-I322 WeakPolarHBondContact O-CG1 3.27Å; K318-I322 PolarHBondContact O-N 3.42Å; K318-I322 VanDerWaalsContact O-N 3.09Å; M319-I322 PolarHBondContact O-N 3.12Å; I322-H324 PolarHBondContact O-N 2.91Å; I322-F325 PolarHBondContact O-N 3.36Å; I322-L326 WeakPolarHBondContact O-CB 3.18Å; I322-L326 PolarHBondContact O-N 3.04Å; I322-F380 HydrophobicContact CD1-CD2 4.46Å; I322-F380 HydrophobicContact CG2-CB 4.22Å; I322-F380 HydrophobicContact CG2-CD1 3.87Å; I322-F380 HydrophobicContact CG2-CD2 3.65Å; I322-F380 HydrophobicContact CG2-CE1 4.09Å; I322-F380 HydrophobicContact CG2-CE2 3.92Å; I322-F380 HydrophobicContact CG2-CG 3.66Å; I322-F380 HydrophobicContact CG2-CZ 4.13Å; I322-L383 HydrophobicContact CG2-CB 4.49Å; I322-L383 HydrophobicContact CG2-CD1 3.99Å; I322-Q384 HydrophobicContact CD1-CG 3.89Å; I322-Q384 HydrophobicContact CG1-CG 4.17Å; I322-I387 HydrophobicContact CG1-CD1 4.48Å; I322-T471 HydrophobicContact CD1-CG2 3.52Å
323L93.8Very high86.1Confident4 Ų427 Ų272%0.02115%0.147CC..Hα-helixtrans-63.9-39.4177.7-69.4177.6000112.2N201 L203 M319 E321 L326 T327 F361 I368 F380N201-L323 HydrophobicContact CB-CB 3.8Å; L203-L323 HydrophobicContact CD1-CD1 4.47Å; M319-L323 HydrophobicContact CG-CD1 4Å; M319-L323 HydrophobicContact CG-CG 4.36Å; M319-L323 WeakPolarHBondContact O-CB 3.25Å; M319-L323 VanDerWaalsContact O-CG 3.24Å; M319-L323 WeakPolarHBondContact O-CG 3.49Å; M319-L323 PolarHBondContact O-N 3.33Å; M319-L323 HydrophobicContact SD-CD1 4.24Å; M319-L323 HydrophobicContact SD-CG 4.09Å; E321-L323 VanDerWaalsContact C-N 3.32Å; E321-L323 PolarHBondContact O-N 3.31Å; L323-L326 HydrophobicContact CD2-CD2 4.4Å; L323-L326 WeakPolarHBondContact O-CB 3.49Å; L323-L326 PolarHBondContact O-N 3.34Å; L323-T327 WeakPolarHBondContact O-CG2 3.3Å; L323-T327 PolarHBondContact O-N 3.15Å; L323-F361 HydrophobicContact CD1-CE2 4.34Å; L323-I368 HydrophobicContact CD2-CD1 3.23Å; L323-F380 HydrophobicContact CD2-CZ 4Å
324H90.3Very high88.1Confident10 Ų1025.4 Ų25.45%0.04614%0.138CC..Hα-helixtrans-59.8-49.9174.6-176.650.3000111.2L2 L3 L200 N201 A320 E321 I322 L326 T327 L328L2-H324 HydrophobicContact CD2-CB 3.77Å; L3-H324 PolarHBondContact N-NE2 3.48Å; L200-H324 PolarHBondContact O-ND1 2.84Å; N201-H324 WeakPolarHBondContact O-CA 3.4Å; A320-H324 WeakPolarHBondContact O-CB 3.47Å; A320-H324 PolarHBondContact O-N 3.4Å; E321-H324 WeakPolarHBondContact O-CB 3.47Å; E321-H324 PolarHBondContact O-N 3.18Å; I322-H324 PolarHBondContact O-N 2.91Å; H324-L326 VanDerWaalsContact C-N 3.27Å; H324-L326 PolarHBondContact O-N 3.03Å; H324-T327 PolarHBondContact O-N 2.83Å; H324-T327 PolarHBondContact O-OG1 3.36Å; H324-L328 PolarHBondContact O-N 2.62Å
325F88Confident89.5Confident14 Ų1426.6 Ų26.66%0.06114%0.143CC..Hα-helixtrans-60.8-39.5179.4-165.1-83.4000111.3E321 I322 T327 L328 C329 L383 L386 I387 L393 F399E321-F325 PolarHBondContact O-N 3.24Å; I322-F325 PolarHBondContact O-N 3.36Å; F325-T327 VanDerWaalsContact C-N 3.32Å; F325-T327 PolarHBondContact O-N 2.68Å; F325-L328 PolarHBondContact O-N 3.46Å; F325-L328 VanDerWaalsContact O-N 3.16Å; F325-C329 VanDerWaalsContact CD1-SG 3.58Å; F325-C329 WeakPolarHBondContact CE1-SG 3.39Å; F325-C329 PolarHBondContact O-N 3.03Å; F325-C329 PolarHBondContact O-SG 2.78Å; F325-L383 HydrophobicContact CD1-CB 4.45Å; F325-L383 HydrophobicContact CD1-CD2 3.76Å; F325-L383 HydrophobicContact CE1-CD2 4.02Å; F325-L386 HydrophobicContact CE1-CB 4.2Å; F325-L386 HydrophobicContact CE1-CD1 4.1Å; F325-L386 HydrophobicContact CZ-CB 3.87Å; F325-L386 HydrophobicContact CZ-CD1 4.26Å; F325-I387 HydrophobicContact CB-CD1 4Å; F325-I387 HydrophobicContact CB-CG1 4.35Å; F325-I387 HydrophobicContact CD1-CG1 4.46Å; F325-I387 HydrophobicContact CD2-CD1 4.27Å; F325-I387 HydrophobicContact CD2-CG1 3.67Å; F325-I387 HydrophobicContact CE2-CG1 3.97Å; F325-I387 HydrophobicContact CG-CD1 4.08Å; F325-I387 HydrophobicContact CG-CG1 3.92Å; F325-L393 HydrophobicContact CD2-CD1 3.38Å; F325-L393 HydrophobicContact CE2-CD1 3.07Å; F325-L393 HydrophobicContact CE2-CG 4.07Å; F325-L393 HydrophobicContact CG-CD1 4.34Å; F325-L393 HydrophobicContact CZ-CD1 3.8Å; F325-F399 HydrophobicContact CE1-CZ 4.25Å; F325-F399 HydrophobicContact CZ-CE2 4.3Å; F325-F399 HydrophobicContact CZ-CZ 4.1Å
326L91.7Very high90.6Very high1 Ų124.3 Ų24.31%0.00513%0.132CC..Hα-helixtrans-57.4-41.9172.4178.264.4000112.2I322 L323 H324 C329 I330 I333 I368 A377 P378 F380 L383I322-L326 WeakPolarHBondContact O-CB 3.18Å; I322-L326 PolarHBondContact O-N 3.04Å; L323-L326 HydrophobicContact CD2-CD2 4.4Å; L323-L326 WeakPolarHBondContact O-CB 3.49Å; L323-L326 PolarHBondContact O-N 3.34Å; H324-L326 VanDerWaalsContact C-N 3.27Å; H324-L326 PolarHBondContact O-N 3.03Å; L326-C329 WeakPolarHBondContact O-CB 3.44Å; L326-C329 PolarHBondContact O-N 2.92Å; L326-I330 HydrophobicContact CD1-CD1 3.89Å; L326-I330 PolarHBondContact O-N 3.38Å; L326-I333 HydrophobicContact CD1-CD1 3.7Å; L326-I333 HydrophobicContact CD2-CD1 3.94Å; L326-I333 HydrophobicContact CG-CD1 3.57Å; L326-I368 HydrophobicContact CD2-CD1 4.04Å; L326-I368 HydrophobicContact CD2-CG1 4.13Å; L326-I368 HydrophobicContact CD2-CG2 4.17Å; L326-A377 HydrophobicContact CD1-CB 4.06Å; L326-P378 HydrophobicContact CD1-CG 4.4Å; L326-F380 HydrophobicContact CD2-CE1 4.24Å; L326-L383 HydrophobicContact CB-CD1 3.83Å; L326-L383 HydrophobicContact CD1-CD1 4.05Å; L326-L383 HydrophobicContact CG-CD1 4.45Å
327T91.7Very high91.3Very high13 Ų1323.2 Ų23.28%0.0812%0.121CC..Hα-helixtrans-71.3-26.8176.864.90000114.2N201 L203 L323 H324 F325 I330 I333 P334N201-T327 WeakPolarHBondContact O-CG2 3.47Å; N201-T327 PolarHBondContact O-OG1 3.31Å; L203-T327 HydrophobicContact CD2-CG2 3.46Å; L203-T327 VanDerWaalsContact CD2-CG2 3.46Å; L203-T327 HydrophobicContact CG-CG2 4.08Å; L323-T327 WeakPolarHBondContact O-CG2 3.3Å; L323-T327 PolarHBondContact O-N 3.15Å; H324-T327 PolarHBondContact O-N 2.83Å; H324-T327 PolarHBondContact O-OG1 3.36Å; F325-T327 VanDerWaalsContact C-N 3.32Å; F325-T327 PolarHBondContact O-N 2.68Å; T327-I330 CarbonylContact O-C 3.56Å; T327-I333 HydrophobicContact CG2-CG2 4.34Å; T327-P334 HydrophobicContact CG2-CG 3.88Å
328L86.7Confident91.9Very high66 Ų6622.3 Ų22.335%0.34612%0.117SC..Hα-helixtrans-74.7-34.6173-66.8179.4000111.3H324 F325 L393H324-L328 PolarHBondContact O-N 2.62Å; F325-L328 PolarHBondContact O-N 3.46Å; F325-L328 VanDerWaalsContact O-N 3.16Å; L328-L393 HydrophobicContact CD1-CD1 3.81Å
329C86.7Confident92.4Very high0 Ų020.3 Ų20.30%011%0.108CC..Hα-helixtrans-63.6-65.5169.2-60.70000108F325 L326 P331 F399 V401 F405F325-C329 VanDerWaalsContact CD1-SG 3.58Å; F325-C329 WeakPolarHBondContact CE1-SG 3.39Å; F325-C329 PolarHBondContact O-N 3.03Å; F325-C329 PolarHBondContact O-SG 2.78Å; L326-C329 WeakPolarHBondContact O-CB 3.44Å; L326-C329 PolarHBondContact O-N 2.92Å; C329-P331 VanDerWaalsContact O-CD 3.24Å; C329-P331 WeakPolarHBondContact O-CD 3.41Å; C329-F399 HydrophobicContact CB-CD1 4.35Å; C329-F399 HydrophobicContact CB-CE1 4.23Å; C329-F399 WeakPolarHBondContact SG-CE1 3.47Å; C329-V401 VanDerWaalsContact C-CG2 3.44Å; C329-V401 WeakPolarHBondContact O-CG2 3.15Å; C329-F405 HydrophobicContact CB-CE2 4.5Å
330I91.2Very high92.8Very high7 Ų720.7 Ų20.74%0.03611%0.11CC..  trans-111.297.7-168.1-56.2152.5000109.7L326 T327 E332 I333 Y376 A377 L408 F411L326-I330 HydrophobicContact CD1-CD1 3.89Å; L326-I330 PolarHBondContact O-N 3.38Å; T327-I330 CarbonylContact O-C 3.56Å; I330-E332 PolarHBondContact O-N 3.49Å; I330-E332 VanDerWaalsContact O-N 3.15Å; I330-I333 HydrophobicContact CB-CD1 3.69Å; I330-I333 HydrophobicContact CB-CG1 3.91Å; I330-I333 HydrophobicContact CD1-CD1 3.81Å; I330-I333 HydrophobicContact CG1-CD1 4.38Å; I330-I333 HydrophobicContact CG2-CD1 4Å; I330-I333 HydrophobicContact CG2-CG1 3.75Å; I330-I333 WeakPolarHBondContact O-CB 3.36Å; I330-I333 PolarHBondContact O-N 3.17Å; I330-I333 VanDerWaalsContact O-N 3.14Å; I330-Y376 VanDerWaalsContact CD1-O 3.22Å; I330-Y376 WeakPolarHBondContact CD1-O 3.19Å; I330-A377 HydrophobicContact CD1-CB 3.7Å; I330-L408 HydrophobicContact CD1-CD1 4.47Å; I330-F411 HydrophobicContact CG2-CD2 3.7Å; I330-F411 HydrophobicContact CG2-CE2 3.86Å
331P90.5Very high93Very high83 Ų8321.4 Ų21.454%0.53911%0.113SC..THydrogen-bonded Turntrans-69.3-12.9-171.8-20.236.3000114.1C329 P334C329-P331 VanDerWaalsContact O-CD 3.24Å; C329-P331 WeakPolarHBondContact O-CD 3.41Å; P331-P334 WeakPolarHBondContact O-CD 3.36Å
332E93.3Very high93.3Very high77 Ų7719.5 Ų19.536%0.3610%0.103SC..THydrogen-bonded Turntrans-77.7-19175.8-63.472-156.900112.8I330 K335 S336 F411I330-E332 PolarHBondContact O-N 3.49Å; I330-E332 VanDerWaalsContact O-N 3.15Å; E332-K335 PolarHBondContact O-N 3.44Å; E332-S336 PolarHBondContact O-N 2.88Å; E332-S336 VanDerWaalsContact O-N 3.09Å; E332-S336 PolarHBondContact O-OG 2.68Å; E332-F411 HydrophobicContact CB-CD1 3.49Å; E332-F411 VanDerWaalsContact CB-CD1 3.49Å; E332-F411 HydrophobicContact CB-CD2 4.13Å; E332-F411 HydrophobicContact CB-CE1 3.54Å; E332-F411 HydrophobicContact CB-CE2 4.17Å; E332-F411 HydrophobicContact CB-CG 3.79Å; E332-F411 HydrophobicContact CB-CZ 3.89Å; E332-F411 HydrophobicContact CG-CB 4.25Å; E332-F411 HydrophobicContact CG-CD1 3.82Å; E332-F411 HydrophobicContact CG-CE1 4.35Å; E332-F411 HydrophobicContact CG-CG 4Å
333I95.5Very high93.5Very high0 Ų019.5 Ų19.50%010%0.104CC..Hα-helixtrans-61.6-47.9-178.3-72.2179000112.7L203 L326 T327 I330 K335 S336 V337 L371 F411L203-I333 HydrophobicContact CD2-CG2 3.87Å; L326-I333 HydrophobicContact CD1-CD1 3.7Å; L326-I333 HydrophobicContact CD2-CD1 3.94Å; L326-I333 HydrophobicContact CG-CD1 3.57Å; T327-I333 HydrophobicContact CG2-CG2 4.34Å; I330-I333 HydrophobicContact CB-CD1 3.69Å; I330-I333 HydrophobicContact CB-CG1 3.91Å; I330-I333 HydrophobicContact CD1-CD1 3.81Å; I330-I333 HydrophobicContact CG1-CD1 4.38Å; I330-I333 HydrophobicContact CG2-CD1 4Å; I330-I333 HydrophobicContact CG2-CG1 3.75Å; I330-I333 WeakPolarHBondContact O-CB 3.36Å; I330-I333 PolarHBondContact O-N 3.17Å; I330-I333 VanDerWaalsContact O-N 3.14Å; I333-K335 PolarHBondContact O-N 3.18Å; I333-S336 WeakPolarHBondContact CA-OG 3.1Å; I333-S336 PolarHBondContact O-N 3.11Å; I333-S336 PolarHBondContact O-OG 3.41Å; I333-V337 HydrophobicContact CG2-CG2 3.93Å; I333-V337 WeakPolarHBondContact O-CB 3.14Å; I333-V337 WeakPolarHBondContact O-CG2 3.29Å; I333-V337 PolarHBondContact O-N 3.08Å; I333-L371 HydrophobicContact CD1-CD1 3.92Å; I333-L371 HydrophobicContact CG1-CD1 3.87Å; I333-F411 HydrophobicContact CG1-CE2 4.31Å
334P95.9Very high93.5Very high12 Ų1219.5 Ų19.58%0.07810%0.104CC..Hα-helixtrans-52.9-40.7176.5-30.736.2000113.8Y160 L203 T327 P331 A338Y160-P334 HydrophobicContact CE2-CB 3.8Å; Y160-P334 WeakPolarHBondContact OH-CB 3.14Å; L203-P334 HydrophobicContact CD2-CG 4.43Å; T327-P334 HydrophobicContact CG2-CG 3.88Å; P331-P334 WeakPolarHBondContact O-CD 3.36Å; P334-A338 WeakPolarHBondContact O-CB 3.26Å; P334-A338 PolarHBondContact O-N 2.86Å
335K96.4Very high93.5Very high46 Ų4623.8 Ų23.820%0.212%0.12CC..Hα-helixtrans-68-47.5179.4-179.3174.567.1175.40111.6V156 S157 Y160 E332 I333 A338 L339 M414V156-K335 HydrophobicContact CG1-CD 4.32Å; V156-K335 HydrophobicContact CG1-CG 3.77Å; S157-K335 WeakPolarHBondContact OG-CD 3.49Å; S157-K335 PolarHBondContact OG-NZ 2.84Å; Y160-K335 HydrophobicContact CD1-CB 4.19Å; Y160-K335 HydrophobicContact CD1-CG 4.45Å; Y160-K335 HydrophobicContact CG-CB 4.14Å; Y160-K335 HydrophobicContact CG-CG 4.3Å; E332-K335 PolarHBondContact O-N 3.44Å; I333-K335 PolarHBondContact O-N 3.18Å; K335-A338 WeakPolarHBondContact O-CB 3.05Å; K335-A338 PolarHBondContact O-N 3.15Å; K335-L339 PolarHBondContact O-N 2.98Å; K335-M414 HydrophobicContact CD-SD 4.34Å; K335-M414 HydrophobicContact CG-SD 4.12Å
336S97.8Very high93.6Very high1 Ų127.2 Ų27.21%0.00714%0.135CC..Hα-helixtrans-67-38.317854.20000112.6E332 I333 A338 L339 I340 F367 L417E332-S336 PolarHBondContact O-N 2.88Å; E332-S336 VanDerWaalsContact O-N 3.09Å; E332-S336 PolarHBondContact O-OG 2.68Å; I333-S336 WeakPolarHBondContact CA-OG 3.1Å; I333-S336 PolarHBondContact O-N 3.11Å; I333-S336 PolarHBondContact O-OG 3.41Å; S336-A338 VanDerWaalsContact C-N 3.32Å; S336-A338 PolarHBondContact O-N 3.34Å; S336-L339 VanDerWaalsContact O-CB 3.32Å; S336-L339 WeakPolarHBondContact O-CB 3.34Å; S336-L339 PolarHBondContact O-N 2.83Å; S336-I340 WeakPolarHBondContact O-CG1 3.45Å; S336-I340 PolarHBondContact O-N 3.02Å; S336-F367 WeakPolarHBondContact OG-CE1 3.22Å; S336-L417 VanDerWaalsContact CB-CD2 3.45Å
337V97.6Very high93.5Very high0 Ų027.3 Ų27.30%014%0.135CC..Hα-helixtrans-65.2-35.5173.2168.60000111.7L203 I333 L339 I340 K341 I364 F367L203-V337 HydrophobicContact CB-CG1 4.08Å; L203-V337 HydrophobicContact CD1-CG1 4.38Å; L203-V337 HydrophobicContact CD1-CG2 4.47Å; L203-V337 HydrophobicContact CD2-CB 4.09Å; L203-V337 HydrophobicContact CD2-CG1 4.22Å; L203-V337 HydrophobicContact CD2-CG2 4.03Å; L203-V337 HydrophobicContact CG-CG1 4.47Å; I333-V337 HydrophobicContact CG2-CG2 3.93Å; I333-V337 WeakPolarHBondContact O-CB 3.14Å; I333-V337 WeakPolarHBondContact O-CG2 3.29Å; I333-V337 PolarHBondContact O-N 3.08Å; V337-L339 VanDerWaalsContact C-N 3.31Å; V337-L339 PolarHBondContact O-N 2.91Å; V337-I340 PolarHBondContact O-N 2.99Å; V337-K341 HydrophobicContact CG1-CD 3.79Å; V337-K341 HydrophobicContact CG1-CG 4.23Å; V337-K341 WeakPolarHBondContact O-CB 3.4Å; V337-K341 VanDerWaalsContact O-CG 3.31Å; V337-K341 WeakPolarHBondContact O-CG 3.33Å; V337-K341 PolarHBondContact O-N 3.06Å; V337-I364 HydrophobicContact CG1-CD1 3.84Å; V337-I364 HydrophobicContact CG1-CG1 3.84Å; V337-F367 HydrophobicContact CG2-CD1 4.04Å; V337-F367 HydrophobicContact CG2-CE1 4.24Å
338A97.1Very high93.3Very high14 Ų1433.4 Ų33.412%0.11616%0.157CC..Hα-helixtrans-61.6-39.8173.700000112F159 Y160 P334 K335 S336 Y342F159-A338 HydrophobicContact CE1-CB 4.32Å; Y160-A338 HydrophobicContact CD2-CB 3.91Å; P334-A338 WeakPolarHBondContact O-CB 3.26Å; P334-A338 PolarHBondContact O-N 2.86Å; K335-A338 WeakPolarHBondContact O-CB 3.05Å; K335-A338 PolarHBondContact O-N 3.15Å; S336-A338 VanDerWaalsContact C-N 3.32Å; S336-A338 PolarHBondContact O-N 3.34Å; A338-Y342 WeakPolarHBondContact O-CB 3.44Å; A338-Y342 PolarHBondContact O-N 3.09Å
339L97.5Very high93.4Very high3 Ų331.2 Ų31.22%0.01615%0.145CC..Hα-helixtrans-59.5-52171.9166.562.8000111.5F152 V156 K335 S336 V337 K341 Y342 L343 L418 L514F152-L339 HydrophobicContact CE1-CD2 4.24Å; F152-L339 HydrophobicContact CZ-CD1 4.26Å; F152-L339 HydrophobicContact CZ-CD2 4.19Å; V156-L339 HydrophobicContact CG1-CB 4.03Å; V156-L339 HydrophobicContact CG2-CD1 4.17Å; V156-L339 HydrophobicContact CG2-CD2 4.21Å; K335-L339 PolarHBondContact O-N 2.98Å; S336-L339 VanDerWaalsContact O-CB 3.32Å; S336-L339 WeakPolarHBondContact O-CB 3.34Å; S336-L339 PolarHBondContact O-N 2.83Å; V337-L339 VanDerWaalsContact C-N 3.31Å; V337-L339 PolarHBondContact O-N 2.91Å; L339-K341 VanDerWaalsContact C-N 3.34Å; L339-K341 PolarHBondContact O-N 3.37Å; L339-Y342 WeakPolarHBondContact O-CB 3.42Å; L339-Y342 PolarHBondContact O-N 2.97Å; L339-Y342 VanDerWaalsContact O-N 3.13Å; L339-L343 HydrophobicContact CD1-CD1 3.88Å; L339-L343 HydrophobicContact CD1-CG 4.02Å; L339-L343 HydrophobicContact CG-CD1 4.32Å; L339-L343 PolarHBondContact O-N 3.08Å; L339-L418 HydrophobicContact CD2-CB 4.31Å; L339-L418 HydrophobicContact CD2-CD2 4.32Å; L339-L514 HydrophobicContact CD1-CD1 3.36Å
340I97.2Very high93.4Very high14 Ų1431.8 Ų31.87%0.07215%0.149CC..Hα-helixtrans-59.4-44.8179.7-60.5-53.3000111.3S336 V337 Y342 L343 A344 L363 F367 L418 F421S336-I340 WeakPolarHBondContact O-CG1 3.45Å; S336-I340 PolarHBondContact O-N 3.02Å; V337-I340 PolarHBondContact O-N 2.99Å; I340-Y342 VanDerWaalsContact C-N 3.33Å; I340-Y342 PolarHBondContact O-N 3.45Å; I340-L343 PolarHBondContact O-N 3.17Å; I340-A344 VanDerWaalsContact O-CB 3.25Å; I340-A344 WeakPolarHBondContact O-CB 2.66Å; I340-A344 PolarHBondContact O-N 3.23Å; I340-L363 HydrophobicContact CG2-CB 4.42Å; I340-F367 HydrophobicContact CD1-CD2 4.12Å; I340-F367 HydrophobicContact CD1-CE2 4.19Å; I340-F367 HydrophobicContact CG1-CD1 4.36Å; I340-F367 HydrophobicContact CG1-CD2 3.89Å; I340-F367 HydrophobicContact CG1-CE2 4.09Å; I340-F367 HydrophobicContact CG1-CG 4.05Å; I340-F367 HydrophobicContact CG1-CZ 4.39Å; I340-L418 HydrophobicContact CD1-CD1 4.2Å; I340-F421 HydrophobicContact CD1-CD1 3.84Å; I340-F421 HydrophobicContact CD1-CE1 3.87Å
341K95.4Very high92.8Very high16 Ų1636.3 Ų36.37%0.0717%0.165CC..Hα-helixtrans-62.4-39176.5-72.217171.31750112.1L203 S208 V337 L339 R345 I364L203-K341 PolarHBondContact O-NZ 2.87Å; S208-K341 PolarHBondContact OG-NZ 3.34Å; V337-K341 HydrophobicContact CG1-CD 3.79Å; V337-K341 HydrophobicContact CG1-CG 4.23Å; V337-K341 WeakPolarHBondContact O-CB 3.4Å; V337-K341 VanDerWaalsContact O-CG 3.31Å; V337-K341 WeakPolarHBondContact O-CG 3.33Å; V337-K341 PolarHBondContact O-N 3.06Å; L339-K341 VanDerWaalsContact C-N 3.34Å; L339-K341 PolarHBondContact O-N 3.37Å; K341-R345 WeakPolarHBondContact O-CB 3.29Å; K341-R345 PolarHBondContact O-N 3.13Å; K341-R345 VanDerWaalsContact O-N 3.1Å; K341-I364 HydrophobicContact CD-CD1 4.27Å; K341-I364 HydrophobicContact CG-CD1 4.45Å
342Y94.4Very high91.7Very high22 Ų2238.8 Ų38.89%0.08617%0.174CC..Hα-helixtrans-63.2-51.5177.5173.4-95.9000111.4F159 A338 L339 I340 R345 K346 L514 T518F159-Y342 HydrophobicContact CD2-CD2 4.18Å; F159-Y342 HydrophobicContact CD2-CE2 4.46Å; F159-Y342 HydrophobicContact CE1-CD2 4.16Å; F159-Y342 HydrophobicContact CE1-CG 4.18Å; F159-Y342 AromaticContact CE2-CD2 3.41Å; F159-Y342 HydrophobicContact CE2-CD2 3.41Å; F159-Y342 VanDerWaalsContact CE2-CD2 3.41Å; F159-Y342 AromaticContact CE2-CE2 3.92Å; F159-Y342 HydrophobicContact CE2-CE2 3.92Å; F159-Y342 HydrophobicContact CE2-CG 4.19Å; F159-Y342 AromaticContact CZ-CD2 3.41Å; F159-Y342 HydrophobicContact CZ-CD2 3.41Å; F159-Y342 VanDerWaalsContact CZ-CD2 3.41Å; F159-Y342 HydrophobicContact CZ-CE2 4.36Å; F159-Y342 AromaticContact CZ-CG 3.88Å; F159-Y342 HydrophobicContact CZ-CG 3.88Å; A338-Y342 WeakPolarHBondContact O-CB 3.44Å; A338-Y342 PolarHBondContact O-N 3.09Å; L339-Y342 WeakPolarHBondContact O-CB 3.42Å; L339-Y342 PolarHBondContact O-N 2.97Å; L339-Y342 VanDerWaalsContact O-N 3.13Å; I340-Y342 VanDerWaalsContact C-N 3.33Å; I340-Y342 PolarHBondContact O-N 3.45Å; Y342-R345 PolarHBondContact O-N 3.17Å; Y342-K346 HydrophobicContact CD1-CG 4.41Å; Y342-K346 HydrophobicContact CD2-CG 4.13Å; Y342-K346 HydrophobicContact CE1-CG 4.05Å; Y342-K346 HydrophobicContact CE2-CD 4.28Å; Y342-K346 HydrophobicContact CE2-CG 3.75Å; Y342-K346 HydrophobicContact CG-CG 4.46Å; Y342-K346 WeakPolarHBondContact O-CB 3.35Å; Y342-K346 WeakPolarHBondContact O-CG 3.48Å; Y342-K346 PolarHBondContact O-N 2.89Å; Y342-L514 HydrophobicContact CD1-CD1 3.37Å; Y342-L514 HydrophobicContact CD1-CD2 3.98Å; Y342-L514 HydrophobicContact CD1-CG 3.73Å; Y342-L514 HydrophobicContact CE1-CD1 3.49Å; Y342-L514 VanDerWaalsContact CE1-CD1 3.49Å; Y342-L514 HydrophobicContact CE1-CD2 3.93Å; Y342-L514 HydrophobicContact CE1-CG 3.42Å; Y342-L514 VanDerWaalsContact CE1-CG 3.42Å; Y342-L514 HydrophobicContact CG-CD1 4.43Å; Y342-L514 HydrophobicContact CG-CD2 4.48Å; Y342-T518 HydrophobicContact CD1-CG2 4.18Å; Y342-T518 HydrophobicContact CE1-CG2 3.45Å; Y342-T518 VanDerWaalsContact CE1-CG2 3.45Å; Y342-T518 PolarHBondContact OH-OG1 3.4Å
343L95.2Very high90.3Very high7 Ų736.7 Ų36.74%0.03717%0.173CC..Hα-helixtrans-60.4-49.5178.7-66.6177.1000110.8L339 I340 R345 K346 L347 L418 L496 L514 L517 T518L339-L343 HydrophobicContact CD1-CD1 3.88Å; L339-L343 HydrophobicContact CD1-CG 4.02Å; L339-L343 HydrophobicContact CG-CD1 4.32Å; L339-L343 PolarHBondContact O-N 3.08Å; I340-L343 PolarHBondContact O-N 3.17Å; L343-R345 VanDerWaalsContact C-N 3.26Å; L343-R345 PolarHBondContact O-N 2.99Å; L343-K346 PolarHBondContact O-N 2.8Å; L343-L347 HydrophobicContact CB-CD1 4.27Å; L343-L347 VanDerWaalsContact O-CB 3.28Å; L343-L347 WeakPolarHBondContact O-CB 3.24Å; L343-L347 VanDerWaalsContact O-CG 3.24Å; L343-L347 WeakPolarHBondContact O-CG 3.48Å; L343-L347 PolarHBondContact O-N 2.98Å; L343-L418 HydrophobicContact CD1-CD1 3.98Å; L343-L418 HydrophobicContact CD1-CD2 4.08Å; L343-L496 HydrophobicContact CD1-CD1 4.5Å; L343-L514 HydrophobicContact CD2-CD1 4.1Å; L343-L517 HydrophobicContact CD1-CD1 4.47Å; L343-L517 HydrophobicContact CD2-CB 3.8Å; L343-L517 HydrophobicContact CD2-CD1 4.13Å; L343-T518 HydrophobicContact CD2-CG2 3.78Å
344A93.1Very high88.8Confident4 Ų440.8 Ų40.83%0.03320%0.2CC..Hα-helixtrans-55.9-40.6179.900000112.8I340 R348 L349 T350 L363I340-A344 VanDerWaalsContact O-CB 3.25Å; I340-A344 WeakPolarHBondContact O-CB 2.66Å; I340-A344 PolarHBondContact O-N 3.23Å; A344-R348 PolarHBondContact O-N 2.99Å; A344-L349 HydrophobicContact CB-CB 4.4Å; A344-L349 WeakPolarHBondContact O-CB 3.49Å; A344-L349 PolarHBondContact O-N 3.04Å; A344-T350 HydrophobicContact CB-CG2 4.08Å; A344-T350 PolarHBondContact O-N 3.47Å; A344-L363 HydrophobicContact CB-CD1 3.48Å; A344-L363 VanDerWaalsContact CB-CD1 3.48Å
345R90.1Very high87.6Confident99 Ų9941.5 Ų41.537%0.37420%0.203SC..Hα-helixtrans-72.8-44.2177.6-175.1172.3-71.7159.3-8.5112.5S207 K341 Y342 L343 L347 R348S207-R345 PolarHBondContact OG-NH1 3.22Å; K341-R345 WeakPolarHBondContact O-CB 3.29Å; K341-R345 PolarHBondContact O-N 3.13Å; K341-R345 VanDerWaalsContact O-N 3.1Å; Y342-R345 PolarHBondContact O-N 3.17Å; L343-R345 VanDerWaalsContact C-N 3.26Å; L343-R345 PolarHBondContact O-N 2.99Å; R345-L347 VanDerWaalsContact C-N 3.32Å; R345-L347 PolarHBondContact O-N 3.05Å; R345-R348 PolarHBondContact O-N 3.15Å
346K90.3Very high86.5Confident86 Ų8642 Ų4237%0.37421%0.211SC..Hα-helixtrans-70.3-29.6-178.3-73.5-69.1-171.1175.70113.2Y342 L343 R348 T518Y342-K346 HydrophobicContact CD1-CG 4.41Å; Y342-K346 HydrophobicContact CD2-CG 4.13Å; Y342-K346 HydrophobicContact CE1-CG 4.05Å; Y342-K346 HydrophobicContact CE2-CD 4.28Å; Y342-K346 HydrophobicContact CE2-CG 3.75Å; Y342-K346 HydrophobicContact CG-CG 4.46Å; Y342-K346 WeakPolarHBondContact O-CB 3.35Å; Y342-K346 WeakPolarHBondContact O-CG 3.48Å; Y342-K346 PolarHBondContact O-N 2.89Å; L343-K346 PolarHBondContact O-N 2.8Å; K346-R348 VanDerWaalsContact C-N 3.32Å; K346-T518 HydrophobicContact CB-CG2 3.44Å; K346-T518 VanDerWaalsContact CB-CG2 3.44Å; K346-T518 HydrophobicContact CG-CG2 3.9Å
347L90.7Very high85.9Confident3 Ų342 Ų422%0.01621%0.211CC..THydrogen-bonded Turntrans-91.65.6177.4-58.7170.2000112.8L343 R345 L349 I492 L496 L520L343-L347 HydrophobicContact CB-CD1 4.27Å; L343-L347 VanDerWaalsContact O-CB 3.28Å; L343-L347 WeakPolarHBondContact O-CB 3.24Å; L343-L347 VanDerWaalsContact O-CG 3.24Å; L343-L347 WeakPolarHBondContact O-CG 3.48Å; L343-L347 PolarHBondContact O-N 2.98Å; R345-L347 VanDerWaalsContact C-N 3.32Å; R345-L347 PolarHBondContact O-N 3.05Å; L347-L349 PolarHBondContact O-N 2.84Å; L347-L349 VanDerWaalsContact O-N 3.16Å; L347-I492 HydrophobicContact CD1-CG2 3.71Å; L347-L496 HydrophobicContact CD1-CD1 3.79Å; L347-L496 HydrophobicContact CD1-CD2 3.89Å; L347-L496 HydrophobicContact CD1-CG 4.17Å; L347-L520 HydrophobicContact CD2-CD1 3.69Å; L347-L520 HydrophobicContact CD2-CG 4.45Å
348R87.8Confident85.6Confident142 Ų14242.3 Ų42.354%0.53621%0.212SC..THydrogen-bonded Turntrans58.423.4178.5-52.7-178.6-177.8173.85.4114.2A344 R345 K346 T350 D522 V529A344-R348 PolarHBondContact O-N 2.99Å; R345-R348 PolarHBondContact O-N 3.15Å; K346-R348 VanDerWaalsContact C-N 3.32Å; R348-T350 VanDerWaalsContact C-N 3.27Å; R348-D522 IonicContact NH2-OD1 2.65Å; R348-V529 HydrophobicContact CB-CG2 4.42Å
349L87.7Confident85.2Confident20 Ų2043.7 Ų43.711%0.10522%0.22CC..SBendtrans-67.4-33.5172.8-17459.9000111A344 L347 F358 L363 F489 I492A344-L349 HydrophobicContact CB-CB 4.4Å; A344-L349 WeakPolarHBondContact O-CB 3.49Å; A344-L349 PolarHBondContact O-N 3.04Å; L347-L349 PolarHBondContact O-N 2.84Å; L347-L349 VanDerWaalsContact O-N 3.16Å; L349-F358 HydrophobicContact CD1-CB 4.18Å; L349-F358 HydrophobicContact CD1-CD2 3.41Å; L349-F358 VanDerWaalsContact CD1-CD2 3.41Å; L349-F358 HydrophobicContact CD1-CE2 3.9Å; L349-F358 HydrophobicContact CD1-CG 3.87Å; L349-F358 HydrophobicContact CG-CB 4.03Å; L349-F358 HydrophobicContact CG-CD2 4.15Å; L349-F358 HydrophobicContact CG-CG 4.1Å; L349-F358 WeakPolarHBondContact O-CB 3.43Å; L349-L363 HydrophobicContact CD2-CD1 3.66Å; L349-L363 HydrophobicContact CD2-CD2 3.79Å; L349-L363 HydrophobicContact CD2-CG 4.37Å; L349-L363 HydrophobicContact CG-CD1 4.11Å; L349-F489 HydrophobicContact CD1-CB 4.42Å; L349-F489 HydrophobicContact CD1-CD2 4.2Å; L349-F489 HydrophobicContact CD2-CD2 3.5Å; L349-F489 VanDerWaalsContact CD2-CD2 3.5Å; L349-F489 HydrophobicContact CD2-CE2 3.6Å; L349-F489 HydrophobicContact CD2-CG 4.44Å; L349-I492 HydrophobicContact CD1-CD1 3.98Å
350T87.6Confident84.9Confident12 Ų1245.8 Ų45.87%0.07423%0.231CC..SBendtrans-117145.2173.160.20000110.6A344 R348 F358 L363A344-T350 HydrophobicContact CB-CG2 4.08Å; A344-T350 PolarHBondContact O-N 3.47Å; R348-T350 VanDerWaalsContact C-N 3.27Å; T350-F358 HydrophobicContact CG2-CB 4.49Å; T350-L363 HydrophobicContact CG2-CD1 3.68Å
351R77.4Confident84.7Confident101 Ų10148.9 Ų48.938%0.38124%0.244SC..  trans-117.1169.3172.867.7-176.3-172.2-167.31.6111.6P354 N355R351-P354 PolarHBondContact NE-O 2.87Å; R351-P354 PolarHBondContact NH2-O 2.89Å; R351-N355 HydrophobicContact CG-CB 4.09Å
352N67.4Low84.6Confident136 Ų13648.7 Ų48.773%0.72724%0.243SC*.SBendtrans-75.6144.1170-64.9-14.2000109.7
353G64.2Low84.6Confident33 Ų3347.9 Ų47.934%0.3424%0.24SC..SBendtrans79.7-170.3178.100000114.7N355G353-N355 PolarHBondContact O-N 2.75Å
354P64.8Low84.7Confident86 Ų8648.3 Ų48.356%0.55824%0.242SC*.  trans-60.6127.5-175.8-22.633.2000112.5R351R351-P354 PolarHBondContact NE-O 2.87Å; R351-P354 PolarHBondContact NH2-O 2.89Å
355N70.8Confident84.8Confident26 Ų2648.2 Ų48.214%0.13924%0.241CC..  trans-134.1121.7177.4-168.713.4000110.8R351 G353 G357 F358 T359R351-N355 HydrophobicContact CG-CB 4.09Å; G353-N355 PolarHBondContact O-N 2.75Å; N355-G357 PolarHBondContact O-N 2.61Å; N355-G357 PolarHBondContact OD1-N 3.46Å; N355-G357 VanDerWaalsContact OD1-N 3.07Å; N355-F358 PolarHBondContact ND2-O 3.48Å; N355-T359 HydrophobicContact CB-CG2 4.5Å
356P72.3Confident85.2Confident56 Ų5643.5 Ų43.536%0.36422%0.224SC..SBendtrans-64.5-30.2169.427.6-34.5000111.9K362 G480P356-K362 PolarHBondContact O-NZ 3.21Å; P356-G480 CarbonylContact O-C 3.54Å
357G85.2Confident85.6Confident1 Ų139.5 Ų39.51%0.0121%0.206CC..SBendtrans-73.5-144.2177.200000114.1N355 K362 I481N355-G357 PolarHBondContact O-N 2.61Å; N355-G357 PolarHBondContact OD1-N 3.46Å; N355-G357 VanDerWaalsContact OD1-N 3.07Å; G357-K362 WeakPolarHBondContact O-CD 3.41Å; G357-K362 PolarHBondContact O-NZ 3.25Å; G357-I481 VanDerWaalsContact C-CD1 3.42Å
358F90.8Very high85.9Confident7 Ų739.5 Ų39.53%0.03121%0.206CC..  trans-70.1133.5-178.8-71.5-84.2000112.3L349 T350 N355 L363 W478 I481 H485 W486 F489L349-F358 HydrophobicContact CD1-CB 4.18Å; L349-F358 HydrophobicContact CD1-CD2 3.41Å; L349-F358 VanDerWaalsContact CD1-CD2 3.41Å; L349-F358 HydrophobicContact CD1-CE2 3.9Å; L349-F358 HydrophobicContact CD1-CG 3.87Å; L349-F358 HydrophobicContact CG-CB 4.03Å; L349-F358 HydrophobicContact CG-CD2 4.15Å; L349-F358 HydrophobicContact CG-CG 4.1Å; L349-F358 WeakPolarHBondContact O-CB 3.43Å; T350-F358 HydrophobicContact CG2-CB 4.49Å; N355-F358 PolarHBondContact ND2-O 3.48Å; F358-L363 HydrophobicContact CB-CG 4.47Å; F358-L363 HydrophobicContact CD1-CD2 3.46Å; F358-L363 VanDerWaalsContact CD1-CD2 3.46Å; F358-L363 HydrophobicContact CD1-CG 4.04Å; F358-L363 HydrophobicContact CE1-CD2 3.88Å; F358-L363 HydrophobicContact CG-CD2 4.25Å; F358-W478 HydrophobicContact CD1-CH2 4.35Å; F358-W478 HydrophobicContact CD1-CZ3 4.37Å; F358-W478 AromaticContact CE1-CH2 3.67Å; F358-W478 HydrophobicContact CE1-CH2 3.67Å; F358-W478 AromaticContact CE1-CZ3 3.53Å; F358-W478 HydrophobicContact CE1-CZ3 3.53Å; F358-W478 HydrophobicContact CZ-CZ3 4.24Å; F358-I481 HydrophobicContact CD1-CD1 4.25Å; F358-I481 HydrophobicContact CD2-CD1 4.26Å; F358-I481 HydrophobicContact CE1-CD1 4.39Å; F358-I481 HydrophobicContact CE2-CD1 4.38Å; F358-I481 HydrophobicContact CG-CD1 4.19Å; F358-I481 HydrophobicContact CZ-CD1 4.45Å; F358-H485 HydrophobicContact CE2-CB 4.08Å; F358-H485 WeakPolarHBondContact CE2-O 3.31Å; F358-W486 HydrophobicContact CZ-CE3 4.43Å; F358-F489 HydrophobicContact CE1-CB 4.48Å; F358-F489 AromaticContact CE1-CD1 3.82Å; F358-F489 HydrophobicContact CE1-CD1 3.82Å; F358-F489 HydrophobicContact CE1-CE1 4.27Å; F358-F489 HydrophobicContact CE1-CG 4.18Å; F358-F489 HydrophobicContact CE2-CB 3.7Å; F358-F489 HydrophobicContact CE2-CG 4.21Å; F358-F489 HydrophobicContact CZ-CB 3.55Å; F358-F489 AromaticContact CZ-CD1 3.6Å; F358-F489 HydrophobicContact CZ-CD1 3.6Å; F358-F489 HydrophobicContact CZ-CE1 4.48Å; F358-F489 AromaticContact CZ-CG 3.71Å; F358-F489 HydrophobicContact CZ-CG 3.71Å
359T90.1Very high86.4Confident44 Ų4432.8 Ų32.827%0.2718%0.181SC..  trans-114.7160.9168.168.40000108.7N355 F361 K362 L363N355-T359 HydrophobicContact CB-CG2 4.5Å; T359-F361 PolarHBondContact O-N 3.14Å; T359-K362 PolarHBondContact O-N 3.38Å; T359-K362 WeakPolarHBondContact OG1-CG 3.22Å; T359-K362 PolarHBondContact OG1-N 3.37Å; T359-L363 PolarHBondContact O-N 3.2Å; T359-L363 VanDerWaalsContact O-N 3.14Å
360N90.6Very high86.9Confident46 Ų4632 Ų3225%0.24618%0.176CC..Hα-helixtrans-54.4-40.6174.1-73.4-40.6000111.4L363 I364N360-L363 PolarHBondContact O-N 3Å; N360-I364 HydrophobicContact CB-CD1 4.5Å; N360-I364 WeakPolarHBondContact O-CB 3.47Å; N360-I364 WeakPolarHBondContact O-CD1 3.45Å; N360-I364 WeakPolarHBondContact O-CG1 3.46Å; N360-I364 PolarHBondContact O-N 3.46Å
361F92.1Very high87.4Confident79 Ų7931.4 Ų31.435%0.34617%0.173SC..Hα-helixtrans-65.4-42.1-179.7-178.7-113000112.8M319 L323 T359 L363 I364 S365 I477M319-F361 HydrophobicContact CE-CE2 4.09Å; M319-F361 HydrophobicContact CE-CZ 3.57Å; M319-F361 HydrophobicContact CG-CE2 3.71Å; M319-F361 HydrophobicContact CG-CZ 3.75Å; M319-F361 HydrophobicContact SD-CE2 4.4Å; M319-F361 HydrophobicContact SD-CZ 4.36Å; L323-F361 HydrophobicContact CD1-CE2 4.34Å; T359-F361 PolarHBondContact O-N 3.14Å; F361-L363 PolarHBondContact O-N 3.41Å; F361-I364 PolarHBondContact O-N 3.44Å; F361-S365 WeakPolarHBondContact O-CB 3.31Å; F361-S365 PolarHBondContact O-N 3.16Å; F361-S365 PolarHBondContact O-OG 3.35Å; F361-I477 HydrophobicContact CD1-CG2 3.85Å; F361-I477 HydrophobicContact CE1-CB 4.45Å; F361-I477 HydrophobicContact CE1-CD1 4.07Å; F361-I477 HydrophobicContact CE1-CG1 4.08Å; F361-I477 HydrophobicContact CE1-CG2 3.6Å; F361-I477 HydrophobicContact CZ-CD1 4.19Å
362K93.8Very high88.4Confident13 Ų1327 Ų276%0.05716%0.157CC..Hα-helixtrans-57.5-50.4173.5-71.1173.7-178.1-179.60110.5P356 G357 T359 I364 S365 L366 I477 W478 S479 I481P356-K362 PolarHBondContact O-NZ 3.21Å; G357-K362 WeakPolarHBondContact O-CD 3.41Å; G357-K362 PolarHBondContact O-NZ 3.25Å; T359-K362 PolarHBondContact O-N 3.38Å; T359-K362 WeakPolarHBondContact OG1-CG 3.22Å; T359-K362 PolarHBondContact OG1-N 3.37Å; K362-I364 PolarHBondContact O-N 2.88Å; K362-S365 PolarHBondContact O-N 2.88Å; K362-S365 VanDerWaalsContact O-N 3.17Å; K362-S365 PolarHBondContact O-OG 3.36Å; K362-L366 PolarHBondContact O-N 2.93Å; K362-L366 VanDerWaalsContact O-N 3.13Å; K362-I477 WeakPolarHBondContact CE-O 3.33Å; K362-I477 HydrophobicContact CG-CG2 4.35Å; K362-W478 HydrophobicContact CB-CZ2 4.22Å; K362-W478 WeakPolarHBondContact O-CZ2 3.3Å; K362-S479 PolarHBondContact NZ-O 3.4Å; K362-I481 HydrophobicContact CD-CD1 4.07Å; K362-I481 HydrophobicContact CD-CG1 4.08Å
363L95.5Very high89.8Confident5 Ų523.8 Ų23.83%0.02614%0.142CC..Hα-helixtrans-63.3-41.8179.8-65173.5000113.1I340 A344 L349 T350 F358 T359 N360 F361 S365 L366 F367 F489I340-L363 HydrophobicContact CG2-CB 4.42Å; A344-L363 HydrophobicContact CB-CD1 3.48Å; A344-L363 VanDerWaalsContact CB-CD1 3.48Å; L349-L363 HydrophobicContact CD2-CD1 3.66Å; L349-L363 HydrophobicContact CD2-CD2 3.79Å; L349-L363 HydrophobicContact CD2-CG 4.37Å; L349-L363 HydrophobicContact CG-CD1 4.11Å; T350-L363 HydrophobicContact CG2-CD1 3.68Å; F358-L363 HydrophobicContact CB-CG 4.47Å; F358-L363 HydrophobicContact CD1-CD2 3.46Å; F358-L363 VanDerWaalsContact CD1-CD2 3.46Å; F358-L363 HydrophobicContact CD1-CG 4.04Å; F358-L363 HydrophobicContact CE1-CD2 3.88Å; F358-L363 HydrophobicContact CG-CD2 4.25Å; T359-L363 PolarHBondContact O-N 3.2Å; T359-L363 VanDerWaalsContact O-N 3.14Å; N360-L363 PolarHBondContact O-N 3Å; F361-L363 PolarHBondContact O-N 3.41Å; L363-S365 VanDerWaalsContact C-N 3.3Å; L363-S365 PolarHBondContact O-N 3.26Å; L363-L366 PolarHBondContact O-N 3.46Å; L363-F367 WeakPolarHBondContact O-CB 3.32Å; L363-F367 PolarHBondContact O-N 3.09Å; L363-F489 HydrophobicContact CD2-CE1 4.21Å; L363-F489 HydrophobicContact CD2-CE2 4.12Å; L363-F489 HydrophobicContact CD2-CZ 3.84Å
364I96Very high91.4Very high15 Ų1523.8 Ų23.88%0.07714%0.136CC..Hα-helixtrans-61.2-41.6175.1-70165.3000110.3L203 V337 K341 N360 F361 K362 F367 I368L203-I364 HydrophobicContact CD1-CG2 4.02Å; V337-I364 HydrophobicContact CG1-CD1 3.84Å; V337-I364 HydrophobicContact CG1-CG1 3.84Å; K341-I364 HydrophobicContact CD-CD1 4.27Å; K341-I364 HydrophobicContact CG-CD1 4.45Å; N360-I364 HydrophobicContact CB-CD1 4.5Å; N360-I364 WeakPolarHBondContact O-CB 3.47Å; N360-I364 WeakPolarHBondContact O-CD1 3.45Å; N360-I364 WeakPolarHBondContact O-CG1 3.46Å; N360-I364 PolarHBondContact O-N 3.46Å; F361-I364 PolarHBondContact O-N 3.44Å; K362-I364 PolarHBondContact O-N 2.88Å; I364-F367 PolarHBondContact O-N 3.1Å; I364-I368 HydrophobicContact CG2-CD1 3.68Å; I364-I368 HydrophobicContact CG2-CG1 4.28Å; I364-I368 WeakPolarHBondContact O-CB 3.44Å; I364-I368 VanDerWaalsContact O-CG1 3.28Å; I364-I368 WeakPolarHBondContact O-CG1 3.49Å; I364-I368 PolarHBondContact O-N 2.81Å
365S96.7Very high92.9Very high3 Ų322.1 Ų22.12%0.02112%0.123CC..Hα-helixtrans-62.5-43.8178.972.10000112.3F361 K362 L363 I368 N369 L437 W478F361-S365 WeakPolarHBondContact O-CB 3.31Å; F361-S365 PolarHBondContact O-N 3.16Å; F361-S365 PolarHBondContact O-OG 3.35Å; K362-S365 PolarHBondContact O-N 2.88Å; K362-S365 VanDerWaalsContact O-N 3.17Å; K362-S365 PolarHBondContact O-OG 3.36Å; L363-S365 VanDerWaalsContact C-N 3.3Å; L363-S365 PolarHBondContact O-N 3.26Å; S365-I368 PolarHBondContact O-N 3.04Å; S365-N369 PolarHBondContact O-N 3.41Å; S365-L437 VanDerWaalsContact O-CD2 3.3Å; S365-L437 WeakPolarHBondContact O-CD2 3.26Å; S365-W478 PolarHBondContact OG-NE1 3.41Å
366L97.6Very high94.1Very high0 Ų022.5 Ų22.50%012%0.123CC..Hα-helixtrans-66.4-39174.6175.371.4000112.2K362 L363 I368 N369 F370 F421 Y424 V425 I428 I435 W478 W486 F489K362-L366 PolarHBondContact O-N 2.93Å; K362-L366 VanDerWaalsContact O-N 3.13Å; L363-L366 PolarHBondContact O-N 3.46Å; L366-I368 VanDerWaalsContact C-N 3.33Å; L366-I368 PolarHBondContact O-N 3.43Å; L366-N369 PolarHBondContact O-N 2.72Å; L366-F370 PolarHBondContact O-N 3.31Å; L366-F421 HydrophobicContact CD2-CE2 4.46Å; L366-F421 HydrophobicContact CD2-CZ 4.43Å; L366-F421 HydrophobicContact CG-CE2 4.21Å; L366-Y424 HydrophobicContact CD1-CE1 3.98Å; L366-V425 HydrophobicContact CD2-CG2 3.91Å; L366-I428 HydrophobicContact CD1-CD1 3.79Å; L366-I435 HydrophobicContact CD1-CD1 3.72Å; L366-W478 HydrophobicContact CB-CH2 3.96Å; L366-W478 HydrophobicContact CB-CZ2 3.42Å; L366-W478 VanDerWaalsContact CB-CZ2 3.42Å; L366-W478 HydrophobicContact CD2-CH2 3.77Å; L366-W478 HydrophobicContact CD2-CZ2 4.14Å; L366-W478 HydrophobicContact CG-CH2 4.41Å; L366-W478 HydrophobicContact CG-CZ2 4.3Å; L366-W486 HydrophobicContact CD2-CH2 4.07Å; L366-W486 HydrophobicContact CD2-CZ3 4.21Å; L366-F489 HydrophobicContact CD2-CE1 3.72Å; L366-F489 HydrophobicContact CD2-CZ 4.35Å
367F98.3Very high95.2Very high2 Ų220 Ų201%0.00911%0.106CC..Hα-helixtrans-62.2-41.5175.6-175.3-110.7000111.8S336 V337 I340 L363 I364 F370 L371 L417 F421S336-F367 WeakPolarHBondContact OG-CE1 3.22Å; V337-F367 HydrophobicContact CG2-CD1 4.04Å; V337-F367 HydrophobicContact CG2-CE1 4.24Å; I340-F367 HydrophobicContact CD1-CD2 4.12Å; I340-F367 HydrophobicContact CD1-CE2 4.19Å; I340-F367 HydrophobicContact CG1-CD1 4.36Å; I340-F367 HydrophobicContact CG1-CD2 3.89Å; I340-F367 HydrophobicContact CG1-CE2 4.09Å; I340-F367 HydrophobicContact CG1-CG 4.05Å; I340-F367 HydrophobicContact CG1-CZ 4.39Å; L363-F367 WeakPolarHBondContact O-CB 3.32Å; L363-F367 PolarHBondContact O-N 3.09Å; I364-F367 PolarHBondContact O-N 3.1Å; F367-F370 AromaticContact CD2-CD1 4Å; F367-F370 HydrophobicContact CD2-CD1 4Å; F367-F370 AromaticContact CE2-CD1 3.87Å; F367-F370 HydrophobicContact CE2-CD1 3.87Å; F367-F370 HydrophobicContact CE2-CE1 4.05Å; F367-F370 WeakPolarHBondContact O-CB 3.47Å; F367-F370 PolarHBondContact O-N 3.33Å; F367-L371 HydrophobicContact CD1-CD1 4.18Å; F367-L371 HydrophobicContact CD1-CG 4.49Å; F367-L371 HydrophobicContact CE1-CD1 3.82Å; F367-L371 HydrophobicContact CE1-CD2 4.36Å; F367-L371 HydrophobicContact CE1-CG 4.19Å; F367-L371 HydrophobicContact CZ-CD1 4.39Å; F367-L371 HydrophobicContact CZ-CD2 4.1Å; F367-L371 HydrophobicContact CZ-CG 4.36Å; F367-L371 WeakPolarHBondContact O-CG 3.39Å; F367-L371 PolarHBondContact O-N 3.36Å; F367-L417 HydrophobicContact CE2-CD2 4.44Å; F367-L417 HydrophobicContact CE2-CG 4.42Å; F367-L417 HydrophobicContact CZ-CD2 3.77Å; F367-L417 HydrophobicContact CZ-CG 4.18Å; F367-F421 HydrophobicContact CB-CE2 4.16Å; F367-F421 HydrophobicContact CB-CZ 4.28Å; F367-F421 HydrophobicContact CD2-CB 4.38Å; F367-F421 HydrophobicContact CD2-CD1 4.04Å; F367-F421 AromaticContact CD2-CD2 3.66Å; F367-F421 HydrophobicContact CD2-CD2 3.66Å; F367-F421 HydrophobicContact CD2-CE1 4.22Å; F367-F421 AromaticContact CD2-CE2 3.86Å; F367-F421 HydrophobicContact CD2-CE2 3.86Å; F367-F421 AromaticContact CD2-CG 3.74Å; F367-F421 HydrophobicContact CD2-CG 3.74Å; F367-F421 HydrophobicContact CD2-CZ 4.13Å; F367-F421 HydrophobicContact CE2-CB 4.22Å; F367-F421 HydrophobicContact CE2-CD1 4.44Å; F367-F421 HydrophobicContact CE2-CD2 4.31Å; F367-F421 HydrophobicContact CE2-CG 4.06Å
368I98.1Very high95.7Very high3 Ų320 Ų202%0.01511%0.106CC..Hα-helixtrans-63.8-43.9174.5-71.5168.2000111.1L323 L326 I364 S365 L366 F370 L371 Q372 F380 L437L323-I368 HydrophobicContact CD2-CD1 3.23Å; L326-I368 HydrophobicContact CD2-CD1 4.04Å; L326-I368 HydrophobicContact CD2-CG1 4.13Å; L326-I368 HydrophobicContact CD2-CG2 4.17Å; I364-I368 HydrophobicContact CG2-CD1 3.68Å; I364-I368 HydrophobicContact CG2-CG1 4.28Å; I364-I368 WeakPolarHBondContact O-CB 3.44Å; I364-I368 VanDerWaalsContact O-CG1 3.28Å; I364-I368 WeakPolarHBondContact O-CG1 3.49Å; I364-I368 PolarHBondContact O-N 2.81Å; S365-I368 PolarHBondContact O-N 3.04Å; L366-I368 VanDerWaalsContact C-N 3.33Å; L366-I368 PolarHBondContact O-N 3.43Å; I368-F370 VanDerWaalsContact C-N 3.29Å; I368-F370 PolarHBondContact O-N 3.31Å; I368-L371 WeakPolarHBondContact O-CB 3.28Å; I368-L371 PolarHBondContact O-N 2.91Å; I368-L371 VanDerWaalsContact O-N 3.1Å; I368-Q372 HydrophobicContact CG2-CG 4.39Å; I368-Q372 VanDerWaalsContact O-CG 3.32Å; I368-Q372 WeakPolarHBondContact O-CG 3.4Å; I368-Q372 PolarHBondContact O-N 2.81Å; I368-F380 HydrophobicContact CD1-CZ 4.37Å; I368-F380 HydrophobicContact CG2-CE1 3.61Å; I368-F380 HydrophobicContact CG2-CZ 3.83Å; I368-L437 HydrophobicContact CG2-CD2 4.23Å
369N97.9Very high95.9Very high0 Ų020.4 Ų20.40%011%0.11CC..Hα-helixtrans-60.9-39.7176.3179.6-108.6000112S365 L366 Q372 V373 Y424 I435 L437 C441 L442S365-N369 PolarHBondContact O-N 3.41Å; L366-N369 PolarHBondContact O-N 2.72Å; N369-Q372 WeakPolarHBondContact O-CB 3.37Å; N369-Q372 PolarHBondContact O-N 3.22Å; N369-V373 WeakPolarHBondContact O-CG2 3.34Å; N369-V373 PolarHBondContact O-N 2.81Å; N369-Y424 PolarHBondContact OD1-OH 2.74Å; N369-I435 HydrophobicContact CB-CG2 3.65Å; N369-I435 VanDerWaalsContact CG-CG2 3.47Å; N369-L437 HydrophobicContact CB-CD2 3.77Å; N369-C441 PolarHBondContact ND2-O 3.28Å; N369-C441 VanDerWaalsContact ND2-O 3.09Å; N369-L442 WeakPolarHBondContact OD1-CD2 3.39Å
370F98.5Very high96.1Very high3 Ų318.3 Ų18.31%0.01310%0.098CC..Hα-helixtrans-55.9-50.5169.6157-108.3000111.8L366 F367 I368 Q372 V373 S374 Y376 L417 N420 F421 Y424L366-F370 PolarHBondContact O-N 3.31Å; F367-F370 AromaticContact CD2-CD1 4Å; F367-F370 HydrophobicContact CD2-CD1 4Å; F367-F370 AromaticContact CE2-CD1 3.87Å; F367-F370 HydrophobicContact CE2-CD1 3.87Å; F367-F370 HydrophobicContact CE2-CE1 4.05Å; F367-F370 WeakPolarHBondContact O-CB 3.47Å; F367-F370 PolarHBondContact O-N 3.33Å; I368-F370 VanDerWaalsContact C-N 3.29Å; I368-F370 PolarHBondContact O-N 3.31Å; F370-Q372 PolarHBondContact O-N 3.47Å; F370-V373 PolarHBondContact O-N 3.46Å; F370-S374 VanDerWaalsContact CE2-OG 3.26Å; F370-S374 WeakPolarHBondContact CE2-OG 3.19Å; F370-S374 WeakPolarHBondContact O-CB 3.47Å; F370-S374 PolarHBondContact O-N 2.89Å; F370-S374 PolarHBondContact O-OG 2.74Å; F370-Y376 HydrophobicContact CZ-CE2 4.23Å; F370-L417 HydrophobicContact CE1-CD1 3.76Å; F370-L417 HydrophobicContact CE1-CG 4.27Å; F370-L417 HydrophobicContact CZ-CD1 4.24Å; F370-N420 HydrophobicContact CE2-CB 4.02Å; F370-N420 HydrophobicContact CZ-CB 3.86Å; F370-F421 HydrophobicContact CB-CD2 3.8Å; F370-F421 HydrophobicContact CB-CE2 4.25Å; F370-F421 HydrophobicContact CD1-CB 3.92Å; F370-F421 AromaticContact CD1-CD2 3.76Å; F370-F421 HydrophobicContact CD1-CD2 3.76Å; F370-F421 HydrophobicContact CD1-CG 4.23Å; F370-F421 HydrophobicContact CD2-CD2 4.43Å; F370-F421 HydrophobicContact CE1-CB 3.76Å; F370-F421 HydrophobicContact CE1-CD2 4.47Å; F370-F421 HydrophobicContact CE2-CB 4.44Å; F370-F421 HydrophobicContact CG-CB 4.32Å; F370-F421 AromaticContact CG-CD2 3.73Å; F370-F421 HydrophobicContact CG-CD2 3.73Å; F370-F421 HydrophobicContact CZ-CB 4.05Å; F370-Y424 HydrophobicContact CB-CD1 3.59Å; F370-Y424 HydrophobicContact CB-CE1 3.7Å; F370-Y424 HydrophobicContact CB-CG 4.16Å; F370-Y424 HydrophobicContact CD2-CD1 4.06Å; F370-Y424 HydrophobicContact CD2-CD2 4.25Å; F370-Y424 AromaticContact CD2-CG 3.76Å; F370-Y424 HydrophobicContact CD2-CG 3.76Å; F370-Y424 HydrophobicContact CG-CD1 4.22Å; F370-Y424 HydrophobicContact CG-CG 4.38Å
371L98.3Very high96.2Very high0 Ų019.3 Ų19.30%010%0.102CC..Hα-helixtrans-58.4-36.7177.8-63.6177.3000111.9I333 F367 I368 N375 Y376 A377 F411 L417I333-L371 HydrophobicContact CD1-CD1 3.92Å; I333-L371 HydrophobicContact CG1-CD1 3.87Å; F367-L371 HydrophobicContact CD1-CD1 4.18Å; F367-L371 HydrophobicContact CD1-CG 4.49Å; F367-L371 HydrophobicContact CE1-CD1 3.82Å; F367-L371 HydrophobicContact CE1-CD2 4.36Å; F367-L371 HydrophobicContact CE1-CG 4.19Å; F367-L371 HydrophobicContact CZ-CD1 4.39Å; F367-L371 HydrophobicContact CZ-CD2 4.1Å; F367-L371 HydrophobicContact CZ-CG 4.36Å; F367-L371 WeakPolarHBondContact O-CG 3.39Å; F367-L371 PolarHBondContact O-N 3.36Å; I368-L371 WeakPolarHBondContact O-CB 3.28Å; I368-L371 PolarHBondContact O-N 2.91Å; I368-L371 VanDerWaalsContact O-N 3.1Å; L371-N375 PolarHBondContact O-N 3.08Å; L371-Y376 HydrophobicContact CD2-CD2 4.01Å; L371-Y376 WeakPolarHBondContact O-CA 3.07Å; L371-Y376 PolarHBondContact O-N 3Å; L371-A377 HydrophobicContact CB-CB 3.65Å; L371-A377 PolarHBondContact O-N 2.86Å; L371-F411 HydrophobicContact CD2-CE2 4.07Å; L371-F411 HydrophobicContact CD2-CZ 4.22Å; L371-L417 HydrophobicContact CD2-CD1 3.74Å
372Q97.4Very high96.1Very high10 Ų1019.4 Ų19.45%0.04710%0.1CC..Hα-helixtrans-68.3-48.8177-68.5170.1-35.300112I368 N369 F370 S374 N375 A377 P378 F380 L437I368-Q372 HydrophobicContact CG2-CG 4.39Å; I368-Q372 VanDerWaalsContact O-CG 3.32Å; I368-Q372 WeakPolarHBondContact O-CG 3.4Å; I368-Q372 PolarHBondContact O-N 2.81Å; N369-Q372 WeakPolarHBondContact O-CB 3.37Å; N369-Q372 PolarHBondContact O-N 3.22Å; F370-Q372 PolarHBondContact O-N 3.47Å; Q372-S374 VanDerWaalsContact C-N 3.3Å; Q372-S374 PolarHBondContact O-N 3.41Å; Q372-N375 WeakPolarHBondContact O-CA 3.13Å; Q372-N375 PolarHBondContact O-N 3.07Å; Q372-A377 WeakPolarHBondContact CA-O 3.45Å; Q372-A377 HydrophobicContact CG-CB 4.3Å; Q372-P378 WeakPolarHBondContact CG-O 3.47Å; Q372-P378 PolarHBondContact NE2-O 3.14Å; Q372-P378 VanDerWaalsContact NE2-O 3.12Å; Q372-F380 VanDerWaalsContact NE2-CD1 3.28Å; Q372-L437 PolarHBondContact NE2-O 2.96Å; Q372-L437 VanDerWaalsContact NE2-O 3.15Å
373V97.5Very high95.9Very high67 Ų6718.8 Ų18.841%0.40610%0.098SC..Hα-helixtrans-63-37.3178.7170.50000111.6N369 F370 N375 Y424 L442N369-V373 WeakPolarHBondContact O-CG2 3.34Å; N369-V373 PolarHBondContact O-N 2.81Å; F370-V373 PolarHBondContact O-N 3.46Å; V373-N375 PolarHBondContact O-N 3.12Å; V373-Y424 HydrophobicContact CB-CE2 4.26Å; V373-Y424 HydrophobicContact CG1-CE2 4.04Å; V373-Y424 HydrophobicContact CG2-CE2 4.43Å; V373-L442 HydrophobicContact CG2-CG 4.4Å
374S97.4Very high95.6Very high33 Ų3320.4 Ų20.423%0.23111%0.105CC..THydrogen-bonded Turntrans-813.9174.8-60.40000113.7F370 Q372 Y376 N409F370-S374 VanDerWaalsContact CE2-OG 3.26Å; F370-S374 WeakPolarHBondContact CE2-OG 3.19Å; F370-S374 WeakPolarHBondContact O-CB 3.47Å; F370-S374 PolarHBondContact O-N 2.89Å; F370-S374 PolarHBondContact O-OG 2.74Å; Q372-S374 VanDerWaalsContact C-N 3.3Å; Q372-S374 PolarHBondContact O-N 3.41Å; S374-Y376 VanDerWaalsContact CB-CD2 3.47Å; S374-Y376 PolarHBondContact O-N 3.1Å; S374-N409 PolarHBondContact O-ND2 3.37Å
375N96.3Very high95.1Very high51 Ų5122 Ų2227%0.27312%0.118SC..THydrogen-bonded Turntrans57.230.3178.8-166.747.3000113.7L371 Q372 V373 D407 L408 N409L371-N375 PolarHBondContact O-N 3.08Å; Q372-N375 WeakPolarHBondContact O-CA 3.13Å; Q372-N375 PolarHBondContact O-N 3.07Å; V373-N375 PolarHBondContact O-N 3.12Å; N375-D407 PolarHBondContact ND2-O 3.33Å; N375-L408 WeakPolarHBondContact O-CA 3.45Å; N375-L408 WeakPolarHBondContact O-CD2 3.44Å; N375-N409 PolarHBondContact O-N 2.89Å
376Y96.3Very high94.5Very high34 Ų3423.1 Ų23.113%0.13312%0.123CC..SBendtrans-88.2-19.5168.3-57.4-47.2000112.1I330 F370 L371 S374 N409 P410 P412 L417I330-Y376 VanDerWaalsContact CD1-O 3.22Å; I330-Y376 WeakPolarHBondContact CD1-O 3.19Å; F370-Y376 HydrophobicContact CZ-CE2 4.23Å; L371-Y376 HydrophobicContact CD2-CD2 4.01Å; L371-Y376 WeakPolarHBondContact O-CA 3.07Å; L371-Y376 PolarHBondContact O-N 3Å; S374-Y376 VanDerWaalsContact CB-CD2 3.47Å; S374-Y376 PolarHBondContact O-N 3.1Å; Y376-N409 HydrophobicContact CD1-CB 3.68Å; Y376-N409 HydrophobicContact CE1-CB 3.71Å; Y376-P410 WeakPolarHBondContact CE1-O 3.49Å; Y376-P412 HydrophobicContact CE1-CG 4.1Å; Y376-P412 HydrophobicContact CE2-CG 3.95Å; Y376-L417 HydrophobicContact CD2-CD1 4.2Å; Y376-L417 HydrophobicContact CE2-CD1 4.29Å
377A95.8Very high93.8Very high3 Ų325.2 Ų25.23%0.02513%0.134CC..SBendtrans-135.2147.1179.200000112.5L326 I330 L371 Q372L326-A377 HydrophobicContact CD1-CB 4.06Å; I330-A377 HydrophobicContact CD1-CB 3.7Å; L371-A377 HydrophobicContact CB-CB 3.65Å; L371-A377 PolarHBondContact O-N 2.86Å; Q372-A377 WeakPolarHBondContact CA-O 3.45Å; Q372-A377 HydrophobicContact CG-CB 4.3Å
378P94.5Very high93Very high1 Ų132.1 Ų32.11%0.00617%0.166CC..  trans-72.3156.1175.431.9-35.7000111.6L326 Q372 R382 L383 F405L326-P378 HydrophobicContact CD1-CG 4.4Å; Q372-P378 WeakPolarHBondContact CG-O 3.47Å; Q372-P378 PolarHBondContact NE2-O 3.14Å; Q372-P378 VanDerWaalsContact NE2-O 3.12Å; P378-R382 HydrophobicContact CB-CB 4.4Å; P378-L383 HydrophobicContact CB-CD2 4.21Å; P378-L383 HydrophobicContact CB-CG 4.48Å; P378-L383 HydrophobicContact CG-CD1 4.36Å; P378-L383 HydrophobicContact CG-CD2 3.36Å; P378-L383 HydrophobicContact CG-CG 3.87Å; P378-F405 HydrophobicContact CB-CD1 3.78Å; P378-F405 HydrophobicContact CB-CE1 3.5Å; P378-F405 HydrophobicContact CB-CE2 4.5Å; P378-F405 HydrophobicContact CB-CG 4.4Å; P378-F405 HydrophobicContact CB-CZ 3.89Å; P378-F405 HydrophobicContact CG-CD1 4.33Å; P378-F405 HydrophobicContact CG-CD2 4.45Å; P378-F405 HydrophobicContact CG-CE1 4Å; P378-F405 HydrophobicContact CG-CE2 4.1Å; P378-F405 HydrophobicContact CG-CZ 3.86Å
379S94.8Very high92Very high16 Ų1637.7 Ų37.711%0.11220%0.196CC..  trans-64.5153.4169.364.50000111.5I381 R382 L383 R438 N439S379-I381 VanDerWaalsContact C-N 3.28Å; S379-I381 PolarHBondContact O-N 3.35Å; S379-I381 WeakPolarHBondContact OG-CG2 3.41Å; S379-R382 WeakPolarHBondContact O-CB 3.44Å; S379-R382 PolarHBondContact O-N 3.14Å; S379-R382 WeakPolarHBondContact OG-CD 3.49Å; S379-R382 WeakPolarHBondContact OG-CG 3.21Å; S379-L383 PolarHBondContact O-N 3.15Å; S379-R438 WeakPolarHBondContact CB-O 3.37Å; S379-N439 VanDerWaalsContact CB-C 3.41Å; S379-N439 WeakPolarHBondContact CB-O 3.31Å
380F94.5Very high90.4Very high1 Ų142.5 Ų42.50%0.00423%0.23CC..Hα-helixtrans-67.9-29.7-177.6-75.98.9000112.9M319 I322 L323 L326 I368 Q372 R382 L383 Q384 L437 R438 P470M319-F380 HydrophobicContact CE-CE2 4.05Å; M319-F380 HydrophobicContact SD-CE2 3.78Å; I322-F380 HydrophobicContact CD1-CD2 4.46Å; I322-F380 HydrophobicContact CG2-CB 4.22Å; I322-F380 HydrophobicContact CG2-CD1 3.87Å; I322-F380 HydrophobicContact CG2-CD2 3.65Å; I322-F380 HydrophobicContact CG2-CE1 4.09Å; I322-F380 HydrophobicContact CG2-CE2 3.92Å; I322-F380 HydrophobicContact CG2-CG 3.66Å; I322-F380 HydrophobicContact CG2-CZ 4.13Å; L323-F380 HydrophobicContact CD2-CZ 4Å; L326-F380 HydrophobicContact CD2-CE1 4.24Å; I368-F380 HydrophobicContact CD1-CZ 4.37Å; I368-F380 HydrophobicContact CG2-CE1 3.61Å; I368-F380 HydrophobicContact CG2-CZ 3.83Å; Q372-F380 VanDerWaalsContact NE2-CD1 3.28Å; F380-R382 VanDerWaalsContact C-N 3.28Å; F380-R382 PolarHBondContact O-N 2.86Å; F380-L383 HydrophobicContact CD1-CD1 3.99Å; F380-L383 HydrophobicContact CE1-CD1 4.42Å; F380-L383 WeakPolarHBondContact O-CB 3.35Å; F380-L383 PolarHBondContact O-N 2.84Å; F380-Q384 WeakPolarHBondContact O-CB 3.33Å; F380-Q384 VanDerWaalsContact O-CG 3.32Å; F380-Q384 WeakPolarHBondContact O-CG 3.33Å; F380-Q384 PolarHBondContact O-N 3.24Å; F380-L437 WeakPolarHBondContact CB-O 3.47Å; F380-L437 HydrophobicContact CD2-CB 4.26Å; F380-L437 HydrophobicContact CE2-CB 4.27Å; F380-L437 WeakPolarHBondContact CG-O 3.4Å; F380-L437 PolarHBondContact N-O 2.71Å; F380-R438 PolarHBondContact N-O 2.82Å; F380-P470 HydrophobicContact CB-CB 4.37Å; F380-P470 HydrophobicContact CD2-CB 3.71Å; F380-P470 HydrophobicContact CD2-CG 3.31Å; F380-P470 HydrophobicContact CE2-CG 3.66Å; F380-P470 HydrophobicContact CG-CG 4.48Å
381I92.1Very high88.4Confident67 Ų6745.5 Ų45.534%0.34425%0.245SC..Hα-helixtrans-62.5-37.5174.2-165.5167.9000111.7S379 S385 R438S379-I381 VanDerWaalsContact C-N 3.28Å; S379-I381 PolarHBondContact O-N 3.35Å; S379-I381 WeakPolarHBondContact OG-CG2 3.41Å; I381-S385 WeakPolarHBondContact O-CB 3.11Å; I381-S385 PolarHBondContact O-N 3.34Å; I381-R438 HydrophobicContact CB-CG 4.24Å; I381-R438 WeakPolarHBondContact CB-O 3.33Å; I381-R438 WeakPolarHBondContact CG2-O 3.31Å; I381-R438 PolarHBondContact N-O 3.47Å
382R91.2Very high86.2Confident81 Ų8149.4 Ų49.431%0.30628%0.277SS..Hα-helixtrans-65-43.9173.5-70.9175.373.7179.35.8110.7P378 S379 F380 S385 L386 F405 D407P378-R382 HydrophobicContact CB-CB 4.4Å; S379-R382 WeakPolarHBondContact O-CB 3.44Å; S379-R382 PolarHBondContact O-N 3.14Å; S379-R382 WeakPolarHBondContact OG-CD 3.49Å; S379-R382 WeakPolarHBondContact OG-CG 3.21Å; F380-R382 VanDerWaalsContact C-N 3.28Å; F380-R382 PolarHBondContact O-N 2.86Å; R382-S385 PolarHBondContact O-N 2.88Å; R382-S385 PolarHBondContact O-OG 3.39Å; R382-L386 PolarHBondContact O-N 2.91Å; R382-F405 HydrophobicContact CB-CE1 4.16Å; R382-D407 IonicContact CZ-OD1 2.83Å; R382-D407 IonicContact CZ-OD2 3.74Å; R382-D407 IonicContact NH1-OD1 2.79Å; R382-D407 IonicContact NH1-OD2 2.84Å; R382-D407 PolarHBondContact NH1-OD2 3.3Å; R382-D407 IonicContact NH2-OD1 3.96Å; R382-D407 PolarHBondContact NH2-OD1 3.49Å; R382-D407 IonicContact NH2-OD2 3Å; R382-D407 PolarHBondContact NH2-OD2 2.82Å; R382-D407 VanDerWaalsContact NH2-OD2 3.14Å
383L90.3Very high84.1Confident0 Ų050.2 Ų50.20%028%0.282CS..Hα-helixtrans-61.6-47.5176.2-64.1-178.4000112.4I322 F325 L326 P378 S379 F380 S385 L386 I387 F405I322-L383 HydrophobicContact CG2-CB 4.49Å; I322-L383 HydrophobicContact CG2-CD1 3.99Å; F325-L383 HydrophobicContact CD1-CB 4.45Å; F325-L383 HydrophobicContact CD1-CD2 3.76Å; F325-L383 HydrophobicContact CE1-CD2 4.02Å; L326-L383 HydrophobicContact CB-CD1 3.83Å; L326-L383 HydrophobicContact CD1-CD1 4.05Å; L326-L383 HydrophobicContact CG-CD1 4.45Å; P378-L383 HydrophobicContact CB-CD2 4.21Å; P378-L383 HydrophobicContact CB-CG 4.48Å; P378-L383 HydrophobicContact CG-CD1 4.36Å; P378-L383 HydrophobicContact CG-CD2 3.36Å; P378-L383 HydrophobicContact CG-CG 3.87Å; S379-L383 PolarHBondContact O-N 3.15Å; F380-L383 HydrophobicContact CD1-CD1 3.99Å; F380-L383 HydrophobicContact CE1-CD1 4.42Å; F380-L383 WeakPolarHBondContact O-CB 3.35Å; F380-L383 PolarHBondContact O-N 2.84Å; L383-S385 VanDerWaalsContact C-N 3.33Å; L383-S385 PolarHBondContact O-N 2.96Å; L383-L386 PolarHBondContact O-N 3.26Å; L383-L386 VanDerWaalsContact O-N 3.13Å; L383-I387 WeakPolarHBondContact O-CG1 3.25Å; L383-I387 PolarHBondContact O-N 3.1Å; L383-F405 HydrophobicContact CD2-CE2 4.21Å; L383-F405 HydrophobicContact CD2-CZ 3.81Å
384Q87.9Confident81.7Confident39 Ų3952.3 Ų52.318%0.18229%0.291CS..Hα-helixtrans-58.6-44.3178.6-75.6172.2-4200111.4I322 F380 L386 I387 E388I322-Q384 HydrophobicContact CD1-CG 3.89Å; I322-Q384 HydrophobicContact CG1-CG 4.17Å; F380-Q384 WeakPolarHBondContact O-CB 3.33Å; F380-Q384 VanDerWaalsContact O-CG 3.32Å; F380-Q384 WeakPolarHBondContact O-CG 3.33Å; F380-Q384 PolarHBondContact O-N 3.24Å; Q384-L386 PolarHBondContact O-N 3.21Å; Q384-I387 PolarHBondContact O-N 3.4Å; Q384-I387 VanDerWaalsContact O-N 3.09Å; Q384-E388 WeakPolarHBondContact O-CG 3.47Å; Q384-E388 PolarHBondContact O-N 2.84Å
385S86.7Confident79.5Confident49 Ų4956.4 Ų56.434%0.34332%0.319SS..Hα-helixtrans-58.3-34.317776.10000113I381 R382 L383 N389I381-S385 WeakPolarHBondContact O-CB 3.11Å; I381-S385 PolarHBondContact O-N 3.34Å; R382-S385 PolarHBondContact O-N 2.88Å; R382-S385 PolarHBondContact O-OG 3.39Å; L383-S385 VanDerWaalsContact C-N 3.33Å; L383-S385 PolarHBondContact O-N 2.96Å; S385-N389 WeakPolarHBondContact O-CB 3.49Å; S385-N389 VanDerWaalsContact O-CG 3.26Å; S385-N389 PolarHBondContact O-N 3.21Å; S385-N389 PolarHBondContact O-ND2 2.8Å
386L83.3Confident77.1Confident26 Ų2658.5 Ų58.514%0.13634%0.344CS..Hα-helixtrans-75.7-37.2176.2-64.1178.9000112.5F325 R382 L383 Q384 I391 F399 H404 F405F325-L386 HydrophobicContact CE1-CB 4.2Å; F325-L386 HydrophobicContact CE1-CD1 4.1Å; F325-L386 HydrophobicContact CZ-CB 3.87Å; F325-L386 HydrophobicContact CZ-CD1 4.26Å; R382-L386 PolarHBondContact O-N 2.91Å; L383-L386 PolarHBondContact O-N 3.26Å; L383-L386 VanDerWaalsContact O-N 3.13Å; Q384-L386 PolarHBondContact O-N 3.21Å; L386-I391 HydrophobicContact CB-CD1 4.49Å; L386-I391 HydrophobicContact CD2-CD1 3.83Å; L386-F399 HydrophobicContact CD1-CZ 4.21Å; L386-H404 HydrophobicContact CD1-CB 4.36Å; L386-F405 HydrophobicContact CD1-CE1 4.16Å; L386-F405 HydrophobicContact CD1-CE2 3.84Å; L386-F405 HydrophobicContact CD1-CZ 3.34Å
387I82.4Confident74.9Confident44 Ų4460.3 Ų60.323%0.22636%0.361CS..Hα-helixtrans-62.7-46.5176.4-66.7165.2000110.2E321 I322 F325 L383 Q384 S390E321-I387 HydrophobicContact CG-CD1 4.49Å; I322-I387 HydrophobicContact CG1-CD1 4.48Å; F325-I387 HydrophobicContact CB-CD1 4Å; F325-I387 HydrophobicContact CB-CG1 4.35Å; F325-I387 HydrophobicContact CD1-CG1 4.46Å; F325-I387 HydrophobicContact CD2-CD1 4.27Å; F325-I387 HydrophobicContact CD2-CG1 3.67Å; F325-I387 HydrophobicContact CE2-CG1 3.97Å; F325-I387 HydrophobicContact CG-CD1 4.08Å; F325-I387 HydrophobicContact CG-CG1 3.92Å; L383-I387 WeakPolarHBondContact O-CG1 3.25Å; L383-I387 PolarHBondContact O-N 3.1Å; Q384-I387 PolarHBondContact O-N 3.4Å; Q384-I387 VanDerWaalsContact O-N 3.09Å; I387-S390 PolarHBondContact O-N 2.82Å
388E81.5Confident72.7Confident146 Ų14664.7 Ų64.768%0.68240%0.398SS*.Hα-helixtrans-64.9-38.6179.8-72.4170.9-175.200112.4Q384 S390Q384-E388 WeakPolarHBondContact O-CG 3.47Å; Q384-E388 PolarHBondContact O-N 2.84Å; E388-S390 PolarHBondContact O-N 2.95Å; E388-S390 PolarHBondContact O-OG 3.24Å
389N76.7Confident71Confident121 Ų12166 Ų6665%0.64740%0.403SS*.THydrogen-bonded Turntrans-71.39.1177-74.2-42.6000114.1S385 I391S385-N389 WeakPolarHBondContact O-CB 3.49Å; S385-N389 VanDerWaalsContact O-CG 3.26Å; S385-N389 PolarHBondContact O-N 3.21Å; S385-N389 PolarHBondContact O-ND2 2.8Å; N389-I391 PolarHBondContact O-N 3Å; N389-I391 VanDerWaalsContact O-N 3.14Å
390S64Low69.3Low101 Ų10168.1 Ų68.171%0.70642%0.418SS*.THydrogen-bonded Turntrans53.637.3171.3-58.60000113.7I387 E388 A392I387-S390 PolarHBondContact O-N 2.82Å; E388-S390 PolarHBondContact O-N 2.95Å; E388-S390 PolarHBondContact O-OG 3.24Å; S390-A392 PolarHBondContact O-N 2.6Å
391I57Low67.9Low66 Ų6669.2 Ų69.234%0.33843%0.425SS..  trans-64.596.8164.1-57.8178.2000105.7L386 N389 L393L386-I391 HydrophobicContact CB-CD1 4.49Å; L386-I391 HydrophobicContact CD2-CD1 3.83Å; N389-I391 PolarHBondContact O-N 3Å; N389-I391 VanDerWaalsContact O-N 3.14Å; I391-L393 PolarHBondContact O-N 3.44Å
392A52.1Low66.5Low81 Ų8172.7 Ų72.767%0.66944%0.439SS*.  trans-61.395.7170.600000106.6S390 D394S390-A392 PolarHBondContact O-N 2.6Å; A392-D394 PolarHBondContact O-N 2.91Å
393L53.6Low65.6Low28 Ų2875.2 Ų75.215%0.14746%0.458CS..  trans-64.183164-86.5168.6000107.3F325 L328 I391 S395 F399F325-L393 HydrophobicContact CD2-CD1 3.38Å; F325-L393 HydrophobicContact CE2-CD1 3.07Å; F325-L393 HydrophobicContact CE2-CG 4.07Å; F325-L393 HydrophobicContact CG-CD1 4.34Å; F325-L393 HydrophobicContact CZ-CD1 3.8Å; L328-L393 HydrophobicContact CD1-CD1 3.81Å; I391-L393 PolarHBondContact O-N 3.44Å; L393-S395 PolarHBondContact O-N 3.31Å; L393-F399 HydrophobicContact CD2-CB 3.44Å; L393-F399 VanDerWaalsContact CD2-CB 3.44Å; L393-F399 HydrophobicContact CD2-CD2 3.14Å; L393-F399 HydrophobicContact CD2-CE2 3.94Å; L393-F399 HydrophobicContact CD2-CG 3.53Å; L393-F399 HydrophobicContact CG-CD2 4.11Å; L393-F399 HydrophobicContact CG-CE2 4.49Å
394D48.1Very low65Low111 Ų11178.1 Ų78.159%0.59447%0.471SS*.  trans-59.2114.5160.1-92.8-15.4000105.8A392 A396 S397A392-D394 PolarHBondContact O-N 2.91Å; D394-A396 PolarHBondContact O-N 3.49Å; D394-S397 PolarHBondContact O-N 3.28Å; D394-S397 PolarHBondContact O-OG 3.27Å
395S50.9Low65Low119 Ų11976.4 Ų76.483%0.83246%0.464SS*.THydrogen-bonded Turntrans-53.4-9.217744.60000113.9L393L393-S395 PolarHBondContact O-N 3.31Å
396A45.5Very low64.9Low95 Ų9578.8 Ų78.879%0.78548%0.478SS*.THydrogen-bonded Turntrans-88.2-30.8177.300000113.9D394 A398D394-A396 PolarHBondContact O-N 3.49Å; A396-A398 PolarHBondContact O-N 2.94Å
397S49.4Very low65.3Low72 Ų7281 Ų8150%0.50349%0.49SS..SBendtrans-88.9106.7170.557.30000107.2D394 F399D394-S397 PolarHBondContact O-N 3.28Å; D394-S397 PolarHBondContact O-OG 3.27Å; S397-F399 PolarHBondContact O-N 2.85Å
398A50.3Low65.8Low95 Ų9579.9 Ų79.979%0.78548%0.484SS*.  trans-45.4112.7169.600000108.1A396 S400A396-A398 PolarHBondContact O-N 2.94Å; A398-S400 VanDerWaalsContact C-N 3.28Å; A398-S400 PolarHBondContact O-N 3.32Å
399F59Low66.4Low27 Ų2776.7 Ų76.712%0.11847%0.472CS..  trans-60.9101.7172.3-171.6-101.4000105.8F325 C329 L386 L393 S397 V401 H404 F405F325-F399 HydrophobicContact CE1-CZ 4.25Å; F325-F399 HydrophobicContact CZ-CE2 4.3Å; F325-F399 HydrophobicContact CZ-CZ 4.1Å; C329-F399 HydrophobicContact CB-CD1 4.35Å; C329-F399 HydrophobicContact CB-CE1 4.23Å; C329-F399 WeakPolarHBondContact SG-CE1 3.47Å; L386-F399 HydrophobicContact CD1-CZ 4.21Å; L393-F399 HydrophobicContact CD2-CB 3.44Å; L393-F399 VanDerWaalsContact CD2-CB 3.44Å; L393-F399 HydrophobicContact CD2-CD2 3.14Å; L393-F399 HydrophobicContact CD2-CE2 3.94Å; L393-F399 HydrophobicContact CD2-CG 3.53Å; L393-F399 HydrophobicContact CG-CD2 4.11Å; L393-F399 HydrophobicContact CG-CE2 4.49Å; S397-F399 PolarHBondContact O-N 2.85Å; F399-V401 PolarHBondContact O-N 3.1Å; F399-H404 AromaticContact CD2-CD2 3.71Å; F399-H404 AromaticContact CD2-NE2 3.96Å; F399-H404 HydrophobicContact CE1-CB 4.04Å; F399-H404 AromaticContact CE1-CD2 3.81Å; F399-H404 HydrophobicContact CE2-CB 4.5Å; F399-H404 AromaticContact CE2-CD2 3.09Å; F399-H404 WeakPolarHBondContact CE2-CD2 3.44Å; F399-H404 AromaticContact CE2-CG 3.76Å; F399-H404 AromaticContact CE2-NE2 3.39Å; F399-H404 WeakPolarHBondContact CE2-NE2 3.4Å; F399-H404 HydrophobicContact CZ-CB 3.69Å; F399-H404 AromaticContact CZ-CD2 3.16Å; F399-H404 WeakPolarHBondContact CZ-CD2 3.4Å; F399-H404 AromaticContact CZ-CG 3.42Å; F399-H404 VanDerWaalsContact CZ-CG 3.42Å; F399-H404 AromaticContact CZ-NE2 3.92Å; F399-F405 HydrophobicContact CE1-CD2 4.33Å; F399-F405 HydrophobicContact CE1-CE2 4.02Å; F399-F405 HydrophobicContact CZ-CE2 4.33Å
400S59.4Low67.2Low61 Ų6176.3 Ų76.343%0.42748%0.476SS..  trans-72.2105.4177.9-175.30000106A398 H402 L403A398-S400 VanDerWaalsContact C-N 3.28Å; A398-S400 PolarHBondContact O-N 3.32Å; S400-H402 PolarHBondContact O-N 3.46Å; S400-H402 VanDerWaalsContact O-N 3.1Å; S400-L403 WeakPolarHBondContact O-CB 3.15Å; S400-L403 PolarHBondContact O-N 2.92Å
401V63.7Low68.6Low25 Ų2573.5 Ų73.515%0.15245%0.451CS..Hα-helixtrans-43.1-45.4173.1179.20000110.3C329 F399 L403 H404 F405 L408C329-V401 VanDerWaalsContact C-CG2 3.44Å; C329-V401 WeakPolarHBondContact O-CG2 3.15Å; F399-V401 PolarHBondContact O-N 3.1Å; V401-L403 PolarHBondContact O-N 3.38Å; V401-L403 VanDerWaalsContact O-N 3.12Å; V401-H404 PolarHBondContact O-N 3.29Å; V401-H404 VanDerWaalsContact O-N 3.08Å; V401-F405 HydrophobicContact CG1-CB 4.14Å; V401-F405 HydrophobicContact CG1-CD2 4.49Å; V401-F405 CarbonylContact O-C 3.52Å; V401-F405 WeakPolarHBondContact O-CA 3.24Å; V401-F405 PolarHBondContact O-N 3.22Å; V401-L408 HydrophobicContact CG1-CD1 3.81Å
402H63Low70.5Confident140 Ų14071.6 Ų71.665%0.64844%0.443SS*.Hα-helixtrans-61.6-21.9-176.9-58.1-59.7000113.8S400 P406S400-H402 PolarHBondContact O-N 3.46Å; S400-H402 VanDerWaalsContact O-N 3.1Å; H402-P406 WeakPolarHBondContact O-CB 3.47Å
403L73.1Confident72.6Confident134 Ų13469.6 Ų69.670%0.70242%0.424SS*.Hα-helixtrans-76.9-38.4176-170.168.1000112S400 V401S400-L403 WeakPolarHBondContact O-CB 3.15Å; S400-L403 PolarHBondContact O-N 2.92Å; V401-L403 PolarHBondContact O-N 3.38Å; V401-L403 VanDerWaalsContact O-N 3.12Å
404H77.9Confident74.6Confident60 Ų6068.4 Ų68.428%0.27842%0.417SS..Hα-helixtrans-100.3-24.7-174.7-69.7-74.8000113.8L386 F399 V401L386-H404 HydrophobicContact CD1-CB 4.36Å; F399-H404 AromaticContact CD2-CD2 3.71Å; F399-H404 AromaticContact CD2-NE2 3.96Å; F399-H404 HydrophobicContact CE1-CB 4.04Å; F399-H404 AromaticContact CE1-CD2 3.81Å; F399-H404 HydrophobicContact CE2-CB 4.5Å; F399-H404 AromaticContact CE2-CD2 3.09Å; F399-H404 WeakPolarHBondContact CE2-CD2 3.44Å; F399-H404 AromaticContact CE2-CG 3.76Å; F399-H404 AromaticContact CE2-NE2 3.39Å; F399-H404 WeakPolarHBondContact CE2-NE2 3.4Å; F399-H404 HydrophobicContact CZ-CB 3.69Å; F399-H404 AromaticContact CZ-CD2 3.16Å; F399-H404 WeakPolarHBondContact CZ-CD2 3.4Å; F399-H404 AromaticContact CZ-CG 3.42Å; F399-H404 VanDerWaalsContact CZ-CG 3.42Å; F399-H404 AromaticContact CZ-NE2 3.92Å; V401-H404 PolarHBondContact O-N 3.29Å; V401-H404 VanDerWaalsContact O-N 3.08Å
405F86.9Confident76.9Confident4 Ų466.4 Ų66.42%0.01841%0.405CS..  trans-137.159.8-176.7-54.1-70.6000110.6C329 P378 R382 L383 L386 F399 V401 D407 L408C329-F405 HydrophobicContact CB-CE2 4.5Å; P378-F405 HydrophobicContact CB-CD1 3.78Å; P378-F405 HydrophobicContact CB-CE1 3.5Å; P378-F405 HydrophobicContact CB-CE2 4.5Å; P378-F405 HydrophobicContact CB-CG 4.4Å; P378-F405 HydrophobicContact CB-CZ 3.89Å; P378-F405 HydrophobicContact CG-CD1 4.33Å; P378-F405 HydrophobicContact CG-CD2 4.45Å; P378-F405 HydrophobicContact CG-CE1 4Å; P378-F405 HydrophobicContact CG-CE2 4.1Å; P378-F405 HydrophobicContact CG-CZ 3.86Å; R382-F405 HydrophobicContact CB-CE1 4.16Å; L383-F405 HydrophobicContact CD2-CE2 4.21Å; L383-F405 HydrophobicContact CD2-CZ 3.81Å; L386-F405 HydrophobicContact CD1-CE1 4.16Å; L386-F405 HydrophobicContact CD1-CE2 3.84Å; L386-F405 HydrophobicContact CD1-CZ 3.34Å; F399-F405 HydrophobicContact CE1-CD2 4.33Å; F399-F405 HydrophobicContact CE1-CE2 4.02Å; F399-F405 HydrophobicContact CZ-CE2 4.33Å; V401-F405 HydrophobicContact CG1-CB 4.14Å; V401-F405 HydrophobicContact CG1-CD2 4.49Å; V401-F405 CarbonylContact O-C 3.52Å; V401-F405 WeakPolarHBondContact O-CA 3.24Å; V401-F405 PolarHBondContact O-N 3.22Å; F405-D407 WeakPolarHBondContact CA-OD1 3.43Å; F405-D407 PolarHBondContact O-N 2.91Å; F405-D407 VanDerWaalsContact O-N 3.16Å; F405-L408 HydrophobicContact CB-CD1 3.44Å; F405-L408 VanDerWaalsContact CB-CD1 3.44Å; F405-L408 HydrophobicContact CB-CG 3.73Å; F405-L408 HydrophobicContact CG-CD1 4.06Å; F405-L408 PolarHBondContact O-N 3.46Å
406P84.8Confident79.1Confident98 Ų9865 Ų6564%0.63639%0.388SS*.THydrogen-bonded Turntrans-64.2-16.9179.328.5-36000113H402H402-P406 WeakPolarHBondContact O-CB 3.47Å
407D91.1Very high81.6Confident74 Ų7460.6 Ų60.640%0.39635%0.351SS..THydrogen-bonded Turntrans-81.7-9.3-178.858.7-55.4000114.1N375 R382 F405N375-D407 PolarHBondContact ND2-O 3.33Å; R382-D407 IonicContact CZ-OD1 2.83Å; R382-D407 IonicContact CZ-OD2 3.74Å; R382-D407 IonicContact NH1-OD1 2.79Å; R382-D407 IonicContact NH1-OD2 2.84Å; R382-D407 PolarHBondContact NH1-OD2 3.3Å; R382-D407 IonicContact NH2-OD1 3.96Å; R382-D407 PolarHBondContact NH2-OD1 3.49Å; R382-D407 IonicContact NH2-OD2 3Å; R382-D407 PolarHBondContact NH2-OD2 2.82Å; R382-D407 VanDerWaalsContact NH2-OD2 3.14Å; F405-D407 WeakPolarHBondContact CA-OD1 3.43Å; F405-D407 PolarHBondContact O-N 2.91Å; F405-D407 VanDerWaalsContact O-N 3.16Å
408L93.3Very high83.9Confident20 Ų2057.3 Ų57.311%0.10533%0.328CS..SBendtrans-73.9142.3-179.9-65175.4000112.2I330 N375 V401 F405I330-L408 HydrophobicContact CD1-CD1 4.47Å; N375-L408 WeakPolarHBondContact O-CA 3.45Å; N375-L408 WeakPolarHBondContact O-CD2 3.44Å; V401-L408 HydrophobicContact CG1-CD1 3.81Å; F405-L408 HydrophobicContact CB-CD1 3.44Å; F405-L408 VanDerWaalsContact CB-CD1 3.44Å; F405-L408 HydrophobicContact CB-CG 3.73Å; F405-L408 HydrophobicContact CG-CD1 4.06Å; F405-L408 PolarHBondContact O-N 3.46Å
409N94.7Very high86.1Confident78 Ų7853.7 Ų53.742%0.41730%0.3SS..PPolyproline II helixtrans-65.9146.4171.5-70.9-28000110.6S374 N375 Y376 F411S374-N409 PolarHBondContact O-ND2 3.37Å; N375-N409 PolarHBondContact O-N 2.89Å; Y376-N409 HydrophobicContact CD1-CB 3.68Å; Y376-N409 HydrophobicContact CE1-CB 3.71Å; N409-F411 PolarHBondContact O-N 3.07Å
410P92.8Very high88Confident113 Ų11356 Ų5673%0.73431%0.313SS*.PPolyproline II helixtrans-53.9138.2169.3-23.833.5000111.1Y376Y376-P410 WeakPolarHBondContact CE1-O 3.49Å
411F93.8Very high89.9Confident43 Ų4353.4 Ų53.419%0.18929%0.294CS..PPolyproline II helixtrans-67.8124.4179-153.4-87.8000109.6I330 E332 I333 L371 N409 M414 L417I330-F411 HydrophobicContact CG2-CD2 3.7Å; I330-F411 HydrophobicContact CG2-CE2 3.86Å; E332-F411 HydrophobicContact CB-CD1 3.49Å; E332-F411 VanDerWaalsContact CB-CD1 3.49Å; E332-F411 HydrophobicContact CB-CD2 4.13Å; E332-F411 HydrophobicContact CB-CE1 3.54Å; E332-F411 HydrophobicContact CB-CE2 4.17Å; E332-F411 HydrophobicContact CB-CG 3.79Å; E332-F411 HydrophobicContact CB-CZ 3.89Å; E332-F411 HydrophobicContact CG-CB 4.25Å; E332-F411 HydrophobicContact CG-CD1 3.82Å; E332-F411 HydrophobicContact CG-CE1 4.35Å; E332-F411 HydrophobicContact CG-CG 4Å; I333-F411 HydrophobicContact CG1-CE2 4.31Å; L371-F411 HydrophobicContact CD2-CE2 4.07Å; L371-F411 HydrophobicContact CD2-CZ 4.22Å; N409-F411 PolarHBondContact O-N 3.07Å; F411-M414 HydrophobicContact CD1-CE 4.11Å; F411-M414 HydrophobicContact CE1-CE 3.56Å; F411-L417 HydrophobicContact CE1-CD1 4.15Å; F411-L417 HydrophobicContact CE1-CD2 3.55Å; F411-L417 HydrophobicContact CE1-CG 4.43Å; F411-L417 HydrophobicContact CZ-CD1 4.05Å; F411-L417 HydrophobicContact CZ-CD2 3.67Å
412P96.1Very high91.5Very high26 Ų2652.3 Ų52.317%0.16929%0.288CS..  trans-75.1174.3-174.931.9-36.2000111.9Y376 D416 L417Y376-P412 HydrophobicContact CE1-CG 4.1Å; Y376-P412 HydrophobicContact CE2-CG 3.95Å; P412-D416 HydrophobicContact CB-CB 4.07Å; P412-L417 HydrophobicContact CG-CB 4.04Å; P412-L417 HydrophobicContact CG-CD1 3.67Å; P412-L417 HydrophobicContact CG-CG 4.48Å
413S96.6Very high93.2Very high38 Ų3849.7 Ų49.727%0.26628%0.282SS..  trans-58.2155.8170.574.70000110.8E415 D416 L417S413-E415 PolarHBondContact O-N 3.39Å; S413-D416 PolarHBondContact O-N 3.45Å; S413-D416 WeakPolarHBondContact OG-CB 3.38Å; S413-D416 PolarHBondContact OG-N 3.48Å; S413-D416 VanDerWaalsContact OG-N 3.07Å; S413-D416 PolarHBondContact OG-OD2 3.16Å; S413-L417 WeakPolarHBondContact O-CB 3.48Å; S413-L417 PolarHBondContact O-N 3.09Å
414M97Very high94.4Very high3 Ų344.4 Ų44.42%0.01525%0.252CS..Hα-helixtrans-62.5-31.5178.2-66.8-69.1114.200111.9F152 D153 V156 K335 F411 L417 L418F152-M414 HydrophobicContact CD1-CB 4.09Å; F152-M414 HydrophobicContact CE1-CB 3.95Å; D153-M414 WeakPolarHBondContact OD1-CB 3.26Å; D153-M414 WeakPolarHBondContact OD1-CG 3.4Å; D153-M414 PolarHBondContact OD1-N 3.08Å; V156-M414 HydrophobicContact CB-CB 4.49Å; V156-M414 HydrophobicContact CB-CG 4.25Å; V156-M414 HydrophobicContact CG1-CG 4Å; V156-M414 HydrophobicContact CG1-SD 4.06Å; V156-M414 HydrophobicContact CG2-CB 4.37Å; K335-M414 HydrophobicContact CD-SD 4.34Å; K335-M414 HydrophobicContact CG-SD 4.12Å; F411-M414 HydrophobicContact CD1-CE 4.11Å; F411-M414 HydrophobicContact CE1-CE 3.56Å; M414-L417 HydrophobicContact CE-CD2 4.24Å; M414-L417 HydrophobicContact SD-CD2 4.45Å; M414-L418 WeakPolarHBondContact O-CB 3.43Å; M414-L418 PolarHBondContact O-N 3Å
415E95.7Very high95.3Very high69 Ų6941.5 Ų41.532%0.32224%0.239SC..Hα-helixtrans-64.9-56.3174.8177.7173.7-178.100111.2F152 S413 L417 L418 G419 L500 C504F152-E415 HydrophobicContact CD1-CB 3.88Å; F152-E415 HydrophobicContact CE1-CB 4.44Å; S413-E415 PolarHBondContact O-N 3.39Å; E415-L417 VanDerWaalsContact C-N 3.28Å; E415-L417 PolarHBondContact O-N 2.79Å; E415-L418 PolarHBondContact O-N 3.43Å; E415-G419 PolarHBondContact O-N 3.29Å; E415-L500 HydrophobicContact CG-CD1 4.36Å; E415-C504 PolarHBondContact OE1-SG 3.26Å; E415-C504 VanDerWaalsContact OE1-SG 3.33Å; E415-C504 PolarHBondContact OE2-SG 2.66Å
416D96.7Very high95.8Very high91 Ų9143.1 Ų43.149%0.48725%0.25SS..Hα-helixtrans-60.3-40.9179-65-43.2000111.1P412 S413 L418 G419 N420P412-D416 HydrophobicContact CB-CB 4.07Å; S413-D416 PolarHBondContact O-N 3.45Å; S413-D416 WeakPolarHBondContact OG-CB 3.38Å; S413-D416 PolarHBondContact OG-N 3.48Å; S413-D416 VanDerWaalsContact OG-N 3.07Å; S413-D416 PolarHBondContact OG-OD2 3.16Å; D416-L418 PolarHBondContact O-N 3.14Å; D416-G419 PolarHBondContact O-N 2.75Å; D416-N420 VanDerWaalsContact O-CB 3.25Å; D416-N420 WeakPolarHBondContact O-CB 3.38Å; D416-N420 PolarHBondContact O-N 2.81Å; D416-N420 PolarHBondContact O-ND2 2.78Å; D416-N420 VanDerWaalsContact O-ND2 3.14Å
417L97.9Very high96.3Very high2 Ų242.3 Ų42.31%0.0125%0.247CC..Hα-helixtrans-60-46.7177.7-171.174.6000111.5S336 F367 F370 L371 Y376 F411 P412 S413 M414 E415 F421S336-L417 VanDerWaalsContact CB-CD2 3.45Å; F367-L417 HydrophobicContact CE2-CD2 4.44Å; F367-L417 HydrophobicContact CE2-CG 4.42Å; F367-L417 HydrophobicContact CZ-CD2 3.77Å; F367-L417 HydrophobicContact CZ-CG 4.18Å; F370-L417 HydrophobicContact CE1-CD1 3.76Å; F370-L417 HydrophobicContact CE1-CG 4.27Å; F370-L417 HydrophobicContact CZ-CD1 4.24Å; L371-L417 HydrophobicContact CD2-CD1 3.74Å; Y376-L417 HydrophobicContact CD2-CD1 4.2Å; Y376-L417 HydrophobicContact CE2-CD1 4.29Å; F411-L417 HydrophobicContact CE1-CD1 4.15Å; F411-L417 HydrophobicContact CE1-CD2 3.55Å; F411-L417 HydrophobicContact CE1-CG 4.43Å; F411-L417 HydrophobicContact CZ-CD1 4.05Å; F411-L417 HydrophobicContact CZ-CD2 3.67Å; P412-L417 HydrophobicContact CG-CB 4.04Å; P412-L417 HydrophobicContact CG-CD1 3.67Å; P412-L417 HydrophobicContact CG-CG 4.48Å; S413-L417 WeakPolarHBondContact O-CB 3.48Å; S413-L417 PolarHBondContact O-N 3.09Å; M414-L417 HydrophobicContact CE-CD2 4.24Å; M414-L417 HydrophobicContact SD-CD2 4.45Å; E415-L417 VanDerWaalsContact C-N 3.28Å; E415-L417 PolarHBondContact O-N 2.79Å; L417-F421 VanDerWaalsContact O-CB 3.27Å; L417-F421 WeakPolarHBondContact O-CB 3.44Å; L417-F421 PolarHBondContact O-N 3.22Å
418L97.9Very high96.5Very high3 Ų339.3 Ų39.32%0.01623%0.231CC..Hα-helixtrans-66-48.4178.1179.361.5000110.2F152 L339 I340 L343 M414 E415 D416 N420 F421 L422 L500 L517F152-L418 HydrophobicContact CZ-CD2 3.85Å; L339-L418 HydrophobicContact CD2-CB 4.31Å; L339-L418 HydrophobicContact CD2-CD2 4.32Å; I340-L418 HydrophobicContact CD1-CD1 4.2Å; L343-L418 HydrophobicContact CD1-CD1 3.98Å; L343-L418 HydrophobicContact CD1-CD2 4.08Å; M414-L418 WeakPolarHBondContact O-CB 3.43Å; M414-L418 PolarHBondContact O-N 3Å; E415-L418 PolarHBondContact O-N 3.43Å; D416-L418 PolarHBondContact O-N 3.14Å; L418-N420 PolarHBondContact O-N 3.03Å; L418-F421 PolarHBondContact O-N 3.38Å; L418-L422 HydrophobicContact CD1-CD1 4.24Å; L418-L422 HydrophobicContact CD1-CD2 4.32Å; L418-L422 HydrophobicContact CD1-CG 4.1Å; L418-L422 HydrophobicContact CG-CD1 4.06Å; L418-L422 HydrophobicContact CG-CG 4.36Å; L418-L422 VanDerWaalsContact O-CG 3.22Å; L418-L422 WeakPolarHBondContact O-CG 3.48Å; L418-L422 PolarHBondContact O-N 3Å; L418-L500 HydrophobicContact CB-CD2 4.36Å; L418-L500 HydrophobicContact CD2-CD1 4.3Å; L418-L500 HydrophobicContact CD2-CD2 4.26Å; L418-L500 HydrophobicContact CG-CD2 4.24Å; L418-L517 HydrophobicContact CD2-CD1 3.65Å
419G97.6Very high96.5Very high19 Ų1945 Ų4520%0.19626%0.255CS..Hα-helixtrans-54.4-50.8177.900000112E415 D416 F421 L422 V423E415-G419 PolarHBondContact O-N 3.29Å; D416-G419 PolarHBondContact O-N 2.75Å; G419-F421 PolarHBondContact O-N 3.19Å; G419-L422 PolarHBondContact O-N 3.16Å; G419-V423 WeakPolarHBondContact O-CG2 3.39Å; G419-V423 PolarHBondContact O-N 3.19Å
420N98.1Very high96.4Very high75 Ų7541.7 Ų41.740%0.40124%0.238SC..Hα-helixtrans-63.4-40178.2-70.4-27.3000112.5F370 D416 L418 V423 Y424F370-N420 HydrophobicContact CE2-CB 4.02Å; F370-N420 HydrophobicContact CZ-CB 3.86Å; D416-N420 VanDerWaalsContact O-CB 3.25Å; D416-N420 WeakPolarHBondContact O-CB 3.38Å; D416-N420 PolarHBondContact O-N 2.81Å; D416-N420 PolarHBondContact O-ND2 2.78Å; D416-N420 VanDerWaalsContact O-ND2 3.14Å; L418-N420 PolarHBondContact O-N 3.03Å; N420-V423 PolarHBondContact O-N 3.26Å; N420-Y424 WeakPolarHBondContact O-CB 3.27Å; N420-Y424 PolarHBondContact O-N 3.1Å
421F98.5Very high96.2Very high6 Ų639.7 Ų39.73%0.02623%0.225CC..Hα-helixtrans-62.5-43175.1174-118.2000111.8I340 L366 F367 F370 L417 L418 G419 V423 Y424 V425I340-F421 HydrophobicContact CD1-CD1 3.84Å; I340-F421 HydrophobicContact CD1-CE1 3.87Å; L366-F421 HydrophobicContact CD2-CE2 4.46Å; L366-F421 HydrophobicContact CD2-CZ 4.43Å; L366-F421 HydrophobicContact CG-CE2 4.21Å; F367-F421 HydrophobicContact CB-CE2 4.16Å; F367-F421 HydrophobicContact CB-CZ 4.28Å; F367-F421 HydrophobicContact CD2-CB 4.38Å; F367-F421 HydrophobicContact CD2-CD1 4.04Å; F367-F421 AromaticContact CD2-CD2 3.66Å; F367-F421 HydrophobicContact CD2-CD2 3.66Å; F367-F421 HydrophobicContact CD2-CE1 4.22Å; F367-F421 AromaticContact CD2-CE2 3.86Å; F367-F421 HydrophobicContact CD2-CE2 3.86Å; F367-F421 AromaticContact CD2-CG 3.74Å; F367-F421 HydrophobicContact CD2-CG 3.74Å; F367-F421 HydrophobicContact CD2-CZ 4.13Å; F367-F421 HydrophobicContact CE2-CB 4.22Å; F367-F421 HydrophobicContact CE2-CD1 4.44Å; F367-F421 HydrophobicContact CE2-CD2 4.31Å; F367-F421 HydrophobicContact CE2-CG 4.06Å; F370-F421 HydrophobicContact CB-CD2 3.8Å; F370-F421 HydrophobicContact CB-CE2 4.25Å; F370-F421 HydrophobicContact CD1-CB 3.92Å; F370-F421 AromaticContact CD1-CD2 3.76Å; F370-F421 HydrophobicContact CD1-CD2 3.76Å; F370-F421 HydrophobicContact CD1-CG 4.23Å; F370-F421 HydrophobicContact CD2-CD2 4.43Å; F370-F421 HydrophobicContact CE1-CB 3.76Å; F370-F421 HydrophobicContact CE1-CD2 4.47Å; F370-F421 HydrophobicContact CE2-CB 4.44Å; F370-F421 HydrophobicContact CG-CB 4.32Å; F370-F421 AromaticContact CG-CD2 3.73Å; F370-F421 HydrophobicContact CG-CD2 3.73Å; F370-F421 HydrophobicContact CZ-CB 4.05Å; L417-F421 VanDerWaalsContact O-CB 3.27Å; L417-F421 WeakPolarHBondContact O-CB 3.44Å; L417-F421 PolarHBondContact O-N 3.22Å; L418-F421 PolarHBondContact O-N 3.38Å; G419-F421 PolarHBondContact O-N 3.19Å; F421-V423 VanDerWaalsContact C-N 3.33Å; F421-V423 PolarHBondContact O-N 2.88Å; F421-Y424 WeakPolarHBondContact O-CB 3.47Å; F421-Y424 PolarHBondContact O-N 3.27Å; F421-V425 HydrophobicContact CD2-CG2 4.2Å; F421-V425 HydrophobicContact CE1-CG2 4.13Å; F421-V425 HydrophobicContact CE2-CG2 3.7Å; F421-V425 HydrophobicContact CZ-CG2 3.67Å; F421-V425 WeakPolarHBondContact O-CG2 2.97Å; F421-V425 PolarHBondContact O-N 3.15Å
422L98Very high96Very high3 Ų341.7 Ų41.72%0.01624%0.238CC..Hα-helixtrans-63.5-41.6178.2-63171.9000111.1L418 G419 Y424 V425 C426 C493 L496 Q497L418-L422 HydrophobicContact CD1-CD1 4.24Å; L418-L422 HydrophobicContact CD1-CD2 4.32Å; L418-L422 HydrophobicContact CD1-CG 4.1Å; L418-L422 HydrophobicContact CG-CD1 4.06Å; L418-L422 HydrophobicContact CG-CG 4.36Å; L418-L422 VanDerWaalsContact O-CG 3.22Å; L418-L422 WeakPolarHBondContact O-CG 3.48Å; L418-L422 PolarHBondContact O-N 3Å; G419-L422 PolarHBondContact O-N 3.16Å; L422-Y424 VanDerWaalsContact C-N 3.31Å; L422-Y424 PolarHBondContact O-N 3.32Å; L422-V425 PolarHBondContact O-N 3.39Å; L422-C426 PolarHBondContact O-N 3.17Å; L422-C426 VanDerWaalsContact O-N 3.09Å; L422-C426 PolarHBondContact O-SG 3.09Å; L422-C426 VanDerWaalsContact O-SG 3.39Å; L422-C493 HydrophobicContact CD2-CB 3.9Å; L422-L496 HydrophobicContact CD1-CB 3.64Å; L422-L496 HydrophobicContact CD2-CB 4.1Å; L422-L496 HydrophobicContact CD2-CD1 4.02Å; L422-Q497 HydrophobicContact CB-CG 3.57Å; L422-Q497 HydrophobicContact CD1-CG 3.87Å; L422-Q497 HydrophobicContact CG-CG 4.36Å; L422-Q497 PolarHBondContact O-NE2 3.3Å
423V97.8Very high95.8Very high85 Ų8541.6 Ų41.652%0.51524%0.236SC..Hα-helixtrans-61.2-42.7174.9172.40000110.7G419 N420 F421 C426 S427 Q497G419-V423 WeakPolarHBondContact O-CG2 3.39Å; G419-V423 PolarHBondContact O-N 3.19Å; N420-V423 PolarHBondContact O-N 3.26Å; F421-V423 VanDerWaalsContact C-N 3.33Å; F421-V423 PolarHBondContact O-N 2.88Å; V423-C426 PolarHBondContact O-N 2.92Å; V423-S427 PolarHBondContact O-N 3.31Å; V423-S427 VanDerWaalsContact O-N 3.08Å; V423-Q497 VanDerWaalsContact CA-NE2 3.3Å
424Y98.1Very high95.7Very high22 Ų2240.7 Ų40.79%0.08623%0.228CC..Hα-helixtrans-59.7-45.9176.4179.6-102.4000112.8L366 N369 F370 V373 N420 F421 L422 C426 S427 I428 L442L366-Y424 HydrophobicContact CD1-CE1 3.98Å; N369-Y424 PolarHBondContact OD1-OH 2.74Å; F370-Y424 HydrophobicContact CB-CD1 3.59Å; F370-Y424 HydrophobicContact CB-CE1 3.7Å; F370-Y424 HydrophobicContact CB-CG 4.16Å; F370-Y424 HydrophobicContact CD2-CD1 4.06Å; F370-Y424 HydrophobicContact CD2-CD2 4.25Å; F370-Y424 AromaticContact CD2-CG 3.76Å; F370-Y424 HydrophobicContact CD2-CG 3.76Å; F370-Y424 HydrophobicContact CG-CD1 4.22Å; F370-Y424 HydrophobicContact CG-CG 4.38Å; V373-Y424 HydrophobicContact CB-CE2 4.26Å; V373-Y424 HydrophobicContact CG1-CE2 4.04Å; V373-Y424 HydrophobicContact CG2-CE2 4.43Å; N420-Y424 WeakPolarHBondContact O-CB 3.27Å; N420-Y424 PolarHBondContact O-N 3.1Å; F421-Y424 WeakPolarHBondContact O-CB 3.47Å; F421-Y424 PolarHBondContact O-N 3.27Å; L422-Y424 VanDerWaalsContact C-N 3.31Å; L422-Y424 PolarHBondContact O-N 3.32Å; Y424-C426 VanDerWaalsContact C-N 3.33Å; Y424-C426 PolarHBondContact O-N 3.32Å; Y424-S427 PolarHBondContact O-N 2.9Å; Y424-S427 PolarHBondContact O-OG 3.06Å; Y424-I428 HydrophobicContact CD1-CD1 3.91Å; Y424-I428 HydrophobicContact CE1-CD1 3.47Å; Y424-I428 VanDerWaalsContact CE1-CD1 3.47Å; Y424-I428 HydrophobicContact CE2-CD1 4.4Å; Y424-I428 WeakPolarHBondContact O-CG1 3.1Å; Y424-I428 PolarHBondContact O-N 3.43Å; Y424-L442 HydrophobicContact CE2-CD1 4.1Å; Y424-L442 WeakPolarHBondContact OH-CD1 3.32Å; Y424-L442 VanDerWaalsContact OH-CD2 3.31Å; Y424-L442 WeakPolarHBondContact OH-CD2 3.36Å; Y424-L442 WeakPolarHBondContact OH-CG 3.35Å
425V97.3Very high95.6Very high0 Ų040.6 Ų40.60%023%0.227CC..Hα-helixtrans-61.3-43.7176.2176.40000111.2L366 F421 L422 S427 I428 W486 F489 V490 C493L366-V425 HydrophobicContact CD2-CG2 3.91Å; F421-V425 HydrophobicContact CD2-CG2 4.2Å; F421-V425 HydrophobicContact CE1-CG2 4.13Å; F421-V425 HydrophobicContact CE2-CG2 3.7Å; F421-V425 HydrophobicContact CZ-CG2 3.67Å; F421-V425 WeakPolarHBondContact O-CG2 2.97Å; F421-V425 PolarHBondContact O-N 3.15Å; L422-V425 PolarHBondContact O-N 3.39Å; V425-S427 VanDerWaalsContact C-N 3.25Å; V425-S427 PolarHBondContact O-N 3.02Å; V425-I428 PolarHBondContact O-N 3.19Å; V425-W486 HydrophobicContact CG1-CH2 4.24Å; V425-W486 HydrophobicContact CG1-CZ2 4.22Å; V425-F489 HydrophobicContact CB-CE1 4.4Å; V425-F489 HydrophobicContact CG1-CD1 3.76Å; V425-F489 HydrophobicContact CG1-CE1 3.42Å; V425-F489 VanDerWaalsContact CG1-CE1 3.42Å; V425-F489 HydrophobicContact CG1-CZ 3.93Å; V425-F489 HydrophobicContact CG2-CE1 4.01Å; V425-F489 HydrophobicContact CG2-CZ 4Å; V425-V490 HydrophobicContact CG1-CG2 4.49Å; V425-C493 HydrophobicContact CG1-CB 4.5Å
426C97Very high95.5Very high37 Ų3737.5 Ų37.525%0.2521%0.213CC..Hα-helixtrans-68.1-20.3-178.8-73.10000114L422 V423 Y424L422-C426 PolarHBondContact O-N 3.17Å; L422-C426 VanDerWaalsContact O-N 3.09Å; L422-C426 PolarHBondContact O-SG 3.09Å; L422-C426 VanDerWaalsContact O-SG 3.39Å; V423-C426 PolarHBondContact O-N 2.92Å; Y424-C426 VanDerWaalsContact C-N 3.33Å; Y424-C426 PolarHBondContact O-N 3.32Å
427S95.9Very high95.5Very high81 Ų8133.2 Ų33.257%0.56619%0.19SC*.Hα-helixtrans-89.8-19.5-179.972.60000113.8V423 Y424 V425V423-S427 PolarHBondContact O-N 3.31Å; V423-S427 VanDerWaalsContact O-N 3.08Å; Y424-S427 PolarHBondContact O-N 2.9Å; Y424-S427 PolarHBondContact O-OG 3.06Å; V425-S427 VanDerWaalsContact C-N 3.25Å; V425-S427 PolarHBondContact O-N 3.02Å
428I95.6Very high95.3Very high12 Ų1236.5 Ų36.56%0.06220%0.202CC..  trans-70.7132.1-179-74.2165.2000111.3L366 Y424 V425 P430 I433 L442 W486L366-I428 HydrophobicContact CD1-CD1 3.79Å; Y424-I428 HydrophobicContact CD1-CD1 3.91Å; Y424-I428 HydrophobicContact CE1-CD1 3.47Å; Y424-I428 VanDerWaalsContact CE1-CD1 3.47Å; Y424-I428 HydrophobicContact CE2-CD1 4.4Å; Y424-I428 WeakPolarHBondContact O-CG1 3.1Å; Y424-I428 PolarHBondContact O-N 3.43Å; V425-I428 PolarHBondContact O-N 3.19Å; I428-P430 HydrophobicContact CG2-CG 4.24Å; I428-P430 WeakPolarHBondContact O-CD 3.29Å; I428-I433 HydrophobicContact CG2-CD1 3.69Å; I428-I433 HydrophobicContact CG2-CG1 4.02Å; I428-L442 HydrophobicContact CG1-CD1 4.12Å; I428-W486 HydrophobicContact CB-CH2 4.33Å; I428-W486 HydrophobicContact CB-CZ2 3.82Å; I428-W486 HydrophobicContact CD1-CH2 4.45Å; I428-W486 HydrophobicContact CG2-CH2 4Å; I428-W486 HydrophobicContact CG2-CZ2 3.62Å
429K93.1Very high95.2Very high139 Ų13940.2 Ų40.260%0.60422%0.222SC*.  trans-106.1100.3166.1-65.2-178.3-177.1178.50109.6C431 D432 I433K429-C431 VanDerWaalsContact C-N 3.27Å; K429-C431 PolarHBondContact O-N 3.43Å; K429-C431 VanDerWaalsContact O-N 3.16Å; K429-D432 HydrophobicContact CB-CB 4.14Å; K429-D432 WeakPolarHBondContact CB-OD2 3.41Å; K429-D432 WeakPolarHBondContact CD-OD2 3.35Å; K429-D432 PolarHBondContact O-N 2.94Å; K429-I433 WeakPolarHBondContact O-CG1 3.36Å
430P92Very high95.1Very high9 Ų939.8 Ų39.86%0.05822%0.218CC..THydrogen-bonded Turntrans-58.7-31.4-170.2-30.338.3000116.2I428 D432 F464 I465 W486I428-P430 HydrophobicContact CG2-CG 4.24Å; I428-P430 WeakPolarHBondContact O-CD 3.29Å; P430-D432 PolarHBondContact O-N 3.3Å; P430-F464 CarbonylContact C-O 3.43Å; P430-F464 HydrophobicContact CB-CD1 3.98Å; P430-F464 HydrophobicContact CB-CE1 3.48Å; P430-F464 VanDerWaalsContact CB-CE1 3.48Å; P430-F464 HydrophobicContact CB-CE2 4.5Å; P430-F464 HydrophobicContact CB-CZ 3.78Å; P430-F464 HydrophobicContact CG-CD1 4.49Å; P430-F464 HydrophobicContact CG-CE1 3.58Å; P430-F464 HydrophobicContact CG-CZ 3.83Å; P430-I465 HydrophobicContact CB-CB 3.83Å; P430-I465 HydrophobicContact CB-CD1 3.9Å; P430-I465 HydrophobicContact CB-CG1 3.84Å; P430-I465 HydrophobicContact CG-CD1 4.17Å; P430-W486 HydrophobicContact CG-CD2 3.57Å; P430-W486 VanDerWaalsContact CG-CE2 3.4Å; P430-W486 HydrophobicContact CG-CE3 4.29Å; P430-W486 HydrophobicContact CG-CG 3.69Å; P430-W486 HydrophobicContact CG-CZ2 4.02Å; P430-W486 VanDerWaalsContact CG-NE1 3.35Å
431C88.9Confident95Very high70 Ų7038.5 Ų38.547%0.47321%0.214SC..THydrogen-bonded Turntrans-71.7-19.3178.9-61.90000113.2K429 R445 F464K429-C431 VanDerWaalsContact C-N 3.27Å; K429-C431 PolarHBondContact O-N 3.43Å; K429-C431 VanDerWaalsContact O-N 3.16Å; C431-R445 VanDerWaalsContact O-CD 3.29Å; C431-R445 WeakPolarHBondContact O-CD 3.5Å; C431-F464 VanDerWaalsContact SG-CE2 3.54Å
432D90.5Very high94.8Very high85 Ų8540.9 Ų40.946%0.45523%0.227SC..THydrogen-bonded Turntrans-102.5-10-171-56.8-14.2000112.1K429 P430 P444 R445K429-D432 HydrophobicContact CB-CB 4.14Å; K429-D432 WeakPolarHBondContact CB-OD2 3.41Å; K429-D432 WeakPolarHBondContact CD-OD2 3.35Å; K429-D432 PolarHBondContact O-N 2.94Å; P430-D432 PolarHBondContact O-N 3.3Å; D432-P444 WeakPolarHBondContact O-CA 3.48Å; D432-R445 PolarHBondContact O-N 2.99Å
433I92.1Very high94.5Very high25 Ų2543.1 Ų43.113%0.12824%0.241CC..EExtended strand (participates in β ladder)trans-137.9155-167.262.8106.9000113.7I428 K429 I435 L442 T443 R445I428-I433 HydrophobicContact CG2-CD1 3.69Å; I428-I433 HydrophobicContact CG2-CG1 4.02Å; K429-I433 WeakPolarHBondContact O-CG1 3.36Å; I433-I435 HydrophobicContact CD1-CG1 3.81Å; I433-L442 HydrophobicContact CD1-CD2 3.83Å; I433-T443 CarbonylContact C-O 3.53Å; I433-T443 WeakPolarHBondContact CA-O 3.35Å; I433-R445 VanDerWaalsContact O-CD 3.22Å; I433-R445 WeakPolarHBondContact O-CD 3.36Å
434I92.9Very high94.1Very high19 Ų1943.2 Ų43.210%0.09724%0.243CC..EExtended strand (participates in β ladder)trans-112.3126.4169-52.8-178.9000107.3D436 L442 T443 R445 L466 P468I434-D436 PolarHBondContact O-N 2.84Å; I434-L442 WeakPolarHBondContact O-CA 3.33Å; I434-T443 PolarHBondContact N-O 3.43Å; I434-T443 PolarHBondContact O-N 3.47Å; I434-R445 HydrophobicContact CD1-CG 4.25Å; I434-R445 HydrophobicContact CG1-CG 3.51Å; I434-L466 HydrophobicContact CB-CB 4.49Å; I434-L466 HydrophobicContact CD1-CD1 4.4Å; I434-L466 HydrophobicContact CG1-CB 4.23Å; I434-L466 HydrophobicContact CG1-CD1 4.22Å; I434-L466 HydrophobicContact CG2-CB 4.14Å; I434-P468 VanDerWaalsContact CG2-CD 3.48Å; I434-P468 HydrophobicContact CG2-CG 3.81Å
435I95.3Very high93.5Very high0 Ų044.7 Ų44.70%025%0.249CC..EExtended strand (participates in β ladder)trans-79.198171.7-61.9174.5000107.5L366 N369 I433 L442 I465 L466 C467 P468L366-I435 HydrophobicContact CD1-CD1 3.72Å; N369-I435 HydrophobicContact CB-CG2 3.65Å; N369-I435 VanDerWaalsContact CG-CG2 3.47Å; I433-I435 HydrophobicContact CD1-CG1 3.81Å; I435-L442 HydrophobicContact CG1-CD2 4.11Å; I435-I465 HydrophobicContact CD1-CD1 3.67Å; I435-I465 HydrophobicContact CD1-CG1 4.22Å; I435-L466 PolarHBondContact N-O 3.46Å; I435-C467 HydrophobicContact CB-CB 3.99Å; I435-C467 HydrophobicContact CG2-CB 4.4Å; I435-C467 WeakPolarHBondContact O-CA 3.42Å; I435-P468 WeakPolarHBondContact O-CD 3.44Å
436D94.8Very high92.4Very high5 Ų551.5 Ų51.53%0.02728%0.284CS..EExtended strand (participates in β ladder)trans-96.597.5-177-172.4-15000111.1I434 R438 N439 G440 C441I434-D436 PolarHBondContact O-N 2.84Å; D436-R438 VanDerWaalsContact C-N 3.31Å; D436-R438 WeakPolarHBondContact OD1-CA 3.24Å; D436-R438 VanDerWaalsContact OD1-CB 3.29Å; D436-R438 WeakPolarHBondContact OD1-CB 3.28Å; D436-R438 PolarHBondContact OD1-N 2.95Å; D436-N439 PolarHBondContact OD1-N 2.83Å; D436-N439 WeakPolarHBondContact OD2-CB 3.48Å; D436-N439 PolarHBondContact OD2-ND2 3.35Å; D436-G440 VanDerWaalsContact O-CA 3.27Å; D436-G440 WeakPolarHBondContact O-CA 3.43Å; D436-G440 PolarHBondContact O-N 3.43Å; D436-C441 PolarHBondContact N-O 3.23Å; D436-C441 PolarHBondContact O-N 3.43Å; D436-C441 VanDerWaalsContact O-N 3.08Å
437L95.7Very high90.3Very high1 Ų158.7 Ų58.71%0.00531%0.314CS..THydrogen-bonded Turntrans-71.9-26.4175.6-64169.9000113.1S365 I368 N369 Q372 F380 P470 I477S365-L437 VanDerWaalsContact O-CD2 3.3Å; S365-L437 WeakPolarHBondContact O-CD2 3.26Å; I368-L437 HydrophobicContact CG2-CD2 4.23Å; N369-L437 HydrophobicContact CB-CD2 3.77Å; Q372-L437 PolarHBondContact NE2-O 2.96Å; Q372-L437 VanDerWaalsContact NE2-O 3.15Å; F380-L437 WeakPolarHBondContact CB-O 3.47Å; F380-L437 HydrophobicContact CD2-CB 4.26Å; F380-L437 HydrophobicContact CE2-CB 4.27Å; F380-L437 WeakPolarHBondContact CG-O 3.4Å; F380-L437 PolarHBondContact N-O 2.71Å; L437-P470 HydrophobicContact CB-CB 4.38Å; L437-P470 HydrophobicContact CB-CG 4.12Å; L437-P470 HydrophobicContact CD1-CG 4.42Å; L437-I477 HydrophobicContact CD1-CD1 3.77Å
438R94.4Very high88.1Confident71 Ų7159.2 Ų59.227%0.26832%0.318SS..THydrogen-bonded Turntrans-68.5-50-177-172.5178.7-176.2-159.30.7109.5S379 F380 I381 D436 D455 P470S379-R438 WeakPolarHBondContact CB-O 3.37Å; F380-R438 PolarHBondContact N-O 2.82Å; I381-R438 HydrophobicContact CB-CG 4.24Å; I381-R438 WeakPolarHBondContact CB-O 3.33Å; I381-R438 WeakPolarHBondContact CG2-O 3.31Å; I381-R438 PolarHBondContact N-O 3.47Å; D436-R438 VanDerWaalsContact C-N 3.31Å; D436-R438 WeakPolarHBondContact OD1-CA 3.24Å; D436-R438 VanDerWaalsContact OD1-CB 3.29Å; D436-R438 WeakPolarHBondContact OD1-CB 3.28Å; D436-R438 PolarHBondContact OD1-N 2.95Å; R438-D455 IonicContact NH1-OD2 2.85Å; R438-D455 PolarHBondContact NH1-OD2 3.22Å; R438-P470 HydrophobicContact CB-CB 4.11Å
439N95.1Very high85.4Confident80 Ų8064.4 Ų64.443%0.42835%0.35SS..THydrogen-bonded Turntrans-91.1-14.9178.5-64.6-52.6000113.6S379 D436S379-N439 VanDerWaalsContact CB-C 3.41Å; S379-N439 WeakPolarHBondContact CB-O 3.31Å; D436-N439 PolarHBondContact OD1-N 2.83Å; D436-N439 WeakPolarHBondContact OD2-CB 3.48Å; D436-N439 PolarHBondContact OD2-ND2 3.35Å
440G95.8Very high82.8Confident11 Ų1164.7 Ų64.711%0.11336%0.359CS..THydrogen-bonded Turntrans76.935.2176.400000113.7D436D436-G440 VanDerWaalsContact O-CA 3.27Å; D436-G440 WeakPolarHBondContact O-CA 3.43Å; D436-G440 PolarHBondContact O-N 3.43Å
441C95.6Very high80.3Confident48 Ų4871.7 Ų71.732%0.32440%0.395SS..EExtended strand (participates in β ladder)trans-139.6177.3-175.362.60000112.3N369 D436N369-C441 PolarHBondContact ND2-O 3.28Å; N369-C441 VanDerWaalsContact ND2-O 3.09Å; D436-C441 PolarHBondContact N-O 3.23Å; D436-C441 PolarHBondContact O-N 3.43Å; D436-C441 VanDerWaalsContact O-N 3.08Å
442L94.9Very high77.8Confident55 Ų5576.5 Ų76.529%0.28841%0.411SS..EExtended strand (participates in β ladder)trans-103.6121.5163.3-65.2-177.1000108.4N369 V373 Y424 I428 I433 I434 I435N369-L442 WeakPolarHBondContact OD1-CD2 3.39Å; V373-L442 HydrophobicContact CG2-CG 4.4Å; Y424-L442 HydrophobicContact CE2-CD1 4.1Å; Y424-L442 WeakPolarHBondContact OH-CD1 3.32Å; Y424-L442 VanDerWaalsContact OH-CD2 3.31Å; Y424-L442 WeakPolarHBondContact OH-CD2 3.36Å; Y424-L442 WeakPolarHBondContact OH-CG 3.35Å; I428-L442 HydrophobicContact CG1-CD1 4.12Å; I433-L442 HydrophobicContact CD1-CD2 3.83Å; I434-L442 WeakPolarHBondContact O-CA 3.33Å; I435-L442 HydrophobicContact CG1-CD2 4.11Å
443T91.2Very high75.3Confident50 Ų5083.2 Ų83.231%0.30743%0.432SS..EExtended strand (participates in β ladder)trans-103.4133.7179.4-54.30000109.7I433 I434 R445I433-T443 CarbonylContact C-O 3.53Å; I433-T443 WeakPolarHBondContact CA-O 3.35Å; I434-T443 PolarHBondContact N-O 3.43Å; I434-T443 PolarHBondContact O-N 3.47Å; T443-R445 PolarHBondContact O-N 3.34Å
444P89.9Confident73.2Confident87 Ų8786.1 Ų86.157%0.56545%0.451SS*.EExtended strand (participates in β ladder)trans-57.7138174.2-23.933.9000111.8D432 L446D432-P444 WeakPolarHBondContact O-CA 3.48Å; P444-L446 PolarHBondContact O-N 2.92Å; P444-L446 VanDerWaalsContact O-N 3.09Å
445R85.7Confident71.3Confident53 Ų5390.8 Ų90.820%0.248%0.475CS..  trans-76.193.3166.1-73.5178.265.9167.37.8107.7C431 D432 I433 I434 T443 E447 P460 H463 F464 L466C431-R445 VanDerWaalsContact O-CD 3.29Å; C431-R445 WeakPolarHBondContact O-CD 3.5Å; D432-R445 PolarHBondContact O-N 2.99Å; I433-R445 VanDerWaalsContact O-CD 3.22Å; I433-R445 WeakPolarHBondContact O-CD 3.36Å; I434-R445 HydrophobicContact CD1-CG 4.25Å; I434-R445 HydrophobicContact CG1-CG 3.51Å; T443-R445 PolarHBondContact O-N 3.34Å; R445-E447 PolarHBondContact O-N 2.74Å; R445-P460 PolarHBondContact NH2-O 3.13Å; R445-H463 PolarHBondContact NH1-O 2.94Å; R445-H463 VanDerWaalsContact NH1-O 3.1Å; R445-F464 PolarHBondContact NH1-O 3.43Å; R445-L466 HydrophobicContact CG-CD1 4.42Å
446L73.1Confident69.4Low144 Ų14491.9 Ų91.975%0.75448%0.481SS*.  trans-61.4130.6168.4-64.7171.6000108.3P444 S448P444-L446 PolarHBondContact O-N 2.92Å; P444-L446 VanDerWaalsContact O-N 3.09Å; L446-S448 PolarHBondContact O-N 2.77Å
447E54.4Low67.8Low188 Ų18899.2 Ų99.288%0.87952%0.517SS*.  trans-59.8107.8167-70-177.4174.100106.9R445 T449R445-E447 PolarHBondContact O-N 2.74Å; E447-T449 VanDerWaalsContact C-N 3.33Å; E447-T449 PolarHBondContact O-N 3.44Å
448S49Very low66.4Low91 Ų9199.9 Ų99.964%0.63652%0.52SS*.  trans-67.294.3178.159.10000109.1L446 D450L446-S448 PolarHBondContact O-N 2.77Å; S448-D450 PolarHBondContact O-N 3.32Å
449T38.5Very low64.9Low122 Ų122101.4 Ų101.475%0.74854%0.538SS*.  trans-65.3114.2145.849.90000106.6E447E447-T449 VanDerWaalsContact C-N 3.33Å; E447-T449 PolarHBondContact O-N 3.44Å
450D38.1Very low63.3Low145 Ų145100 Ų10078%0.77553%0.532SS*.THydrogen-bonded Turntrans13.9117.4167.4-59.9-40.6000118.6S448S448-D450 PolarHBondContact O-N 3.32Å
451N40.7Very low61.9Low156 Ų156103.4 Ų103.483%0.83457%0.568SS**THydrogen-bonded Turntrans79.78154.3-59-32000121.7Y453N451-Y453 PolarHBondContact O-N 3.37Å
452E36.6Very low60.9Low170 Ų170109.2 Ų109.279%0.79459%0.588SS**  trans-79.8121.6167.8-74.9-170167.300111.7T454E452-T454 VanDerWaalsContact C-N 3.31Å; E452-T454 PolarHBondContact O-N 3.17Å
453Y37.5Very low60.4Low227 Ų227108.4 Ų108.489%0.8958%0.582SS**  trans-55.189.1171.5-84.9-102.5000109.8N451 D455N451-Y453 PolarHBondContact O-N 3.37Å; Y453-D455 PolarHBondContact O-N 2.87Å
454T48.1Very low60.4Low86 Ų86108 Ų10853%0.52858%0.576SS.*  trans-66.1134.3155.352.70000106.9E452 H456E452-T454 VanDerWaalsContact C-N 3.31Å; E452-T454 PolarHBondContact O-N 3.17Å; T454-H456 CarbonylContact O-C 3.54Å; T454-H456 PolarHBondContact O-N 2.95Å; T454-H456 PolarHBondContact OG1-O 3.44Å
455D52.7Low60.5Low116 Ų116104 Ų10462%0.6255%0.55SS*.SBendtrans-55.5-9.8176.6-132.829.7000112.7R438 Y453R438-D455 IonicContact NH1-OD2 2.85Å; R438-D455 PolarHBondContact NH1-OD2 3.22Å; Y453-D455 PolarHBondContact O-N 2.87Å
456H55.2Low60.8Low23 Ų23101.8 Ų101.811%0.10654%0.542CS..SBendtrans-110.5116.9175-44.3-53.1000110.2T454 I458 P468T454-H456 CarbonylContact O-C 3.54Å; T454-H456 PolarHBondContact O-N 2.95Å; T454-H456 PolarHBondContact OG1-O 3.44Å; H456-I458 PolarHBondContact O-N 3.24Å; H456-I458 VanDerWaalsContact O-N 3.13Å; H456-P468 HydrophobicContact CB-CB 4.38Å; H456-P468 HydrophobicContact CB-CG 4.03Å; H456-P468 VanDerWaalsContact CG-CG 3.5Å
457M61.3Low61.8Low159 Ų15995 Ų9578%0.78351%0.506SS*.  trans-82.228.5177.8-59.3-150.786.400113.8Q474M457-Q474 HydrophobicContact CB-CB 4.41Å
458I65.9Low63.6Low16 Ų1686.2 Ų86.28%0.08247%0.466CS..  trans-88123-177.7-54.5172.7000108.8H456 P460 L466 P468 P473 N476H456-I458 PolarHBondContact O-N 3.24Å; H456-I458 VanDerWaalsContact O-N 3.13Å; I458-P460 WeakPolarHBondContact O-CD 3.19Å; I458-P460 VanDerWaalsContact O-N 3.12Å; I458-L466 HydrophobicContact CB-CD2 4.43Å; I458-L466 HydrophobicContact CG2-CD2 3.7Å; I458-P468 HydrophobicContact CD1-CB 4.1Å; I458-P468 HydrophobicContact CD1-CG 4.1Å; I458-P473 WeakPolarHBondContact CD1-O 3.25Å; I458-P473 WeakPolarHBondContact CG1-O 3.19Å; I458-N476 HydrophobicContact CD1-CB 4.01Å; I458-N476 HydrophobicContact CG2-CB 4.44Å
459T64.4Low65.6Low103 Ų10382.5 Ų82.563%0.63244%0.439SS*.  trans-61.1113.3176-460000110.6G461 K462T459-G461 PolarHBondContact O-N 2.99Å; T459-K462 PolarHBondContact O-N 3.41Å
460P60.2Low68Low49 Ų4977 Ų7732%0.31841%0.406SS..G310 helixtrans-63.4-39.3-171.1-23.934.1000113.4R445 I458 K462 H463 L466R445-P460 PolarHBondContact NH2-O 3.13Å; I458-P460 WeakPolarHBondContact O-CD 3.19Å; I458-P460 VanDerWaalsContact O-N 3.12Å; P460-K462 PolarHBondContact O-N 3.18Å; P460-H463 PolarHBondContact O-N 3.18Å; P460-L466 HydrophobicContact CB-CD1 4.49Å
461G66.1Low70.4Confident83 Ų8370.9 Ų70.986%0.85637%0.373SS*.G310 helixtrans-65.8-10.3-173.400000115.9T459T459-G461 PolarHBondContact O-N 2.99Å
462K75.2Confident72.5Confident171 Ų17164.5 Ų64.574%0.74334%0.338SS*.G310 helixtrans-92.4-16-177.7-168.5174-179.7178.20113.6T459 P460T459-K462 PolarHBondContact O-N 3.41Å; P460-K462 PolarHBondContact O-N 3.18Å
463H85.6Confident74.8Confident37 Ų3758 Ų5817%0.17131%0.31CS..  trans-128.5127.3-166.9-62.9-73000112.1R445 P460 I465 L466R445-H463 PolarHBondContact NH1-O 2.94Å; R445-H463 VanDerWaalsContact NH1-O 3.1Å; P460-H463 PolarHBondContact O-N 3.18Å; H463-I465 VanDerWaalsContact C-N 3.31Å; H463-I465 PolarHBondContact O-N 3.41Å; H463-L466 HydrophobicContact CB-CD2 3.69Å
464F89.8Confident76.9Confident43 Ų4351.9 Ų51.919%0.18929%0.29CS..SBendtrans-62.2-38.6176.1175.8-106000112.3P430 C431 R445 N482 E483 W486P430-F464 CarbonylContact C-O 3.43Å; P430-F464 HydrophobicContact CB-CD1 3.98Å; P430-F464 HydrophobicContact CB-CE1 3.48Å; P430-F464 VanDerWaalsContact CB-CE1 3.48Å; P430-F464 HydrophobicContact CB-CE2 4.5Å; P430-F464 HydrophobicContact CB-CZ 3.78Å; P430-F464 HydrophobicContact CG-CD1 4.49Å; P430-F464 HydrophobicContact CG-CE1 3.58Å; P430-F464 HydrophobicContact CG-CZ 3.83Å; C431-F464 VanDerWaalsContact SG-CE2 3.54Å; R445-F464 PolarHBondContact NH1-O 3.43Å; F464-N482 VanDerWaalsContact CD1-C 3.49Å; F464-E483 HydrophobicContact CD2-CB 4.07Å; F464-E483 HydrophobicContact CE2-CB 3.62Å; F464-E483 HydrophobicContact CE2-CG 3.94Å; F464-E483 HydrophobicContact CZ-CB 3.92Å; F464-E483 HydrophobicContact CZ-CG 4.09Å; F464-W486 HydrophobicContact CD1-CB 4.43Å; F464-W486 HydrophobicContact CE1-CB 3.5Å; F464-W486 VanDerWaalsContact CE1-CB 3.5Å; F464-W486 AromaticContact CE1-CG 3.88Å; F464-W486 HydrophobicContact CE1-CG 3.88Å; F464-W486 HydrophobicContact CZ-CB 4.16Å; F464-W486 HydrophobicContact CZ-CG 4.42Å
465I91.7Very high78.7Confident1 Ų148.4 Ų48.41%0.00527%0.269CS..SBendtrans-135.1139.9177.5-166171000110.3P430 I435 H463 N476 W478 I481 W486P430-I465 HydrophobicContact CB-CB 3.83Å; P430-I465 HydrophobicContact CB-CD1 3.9Å; P430-I465 HydrophobicContact CB-CG1 3.84Å; P430-I465 HydrophobicContact CG-CD1 4.17Å; I435-I465 HydrophobicContact CD1-CD1 3.67Å; I435-I465 HydrophobicContact CD1-CG1 4.22Å; H463-I465 VanDerWaalsContact C-N 3.31Å; H463-I465 PolarHBondContact O-N 3.41Å; I465-N476 PolarHBondContact O-ND2 3.34Å; I465-W478 HydrophobicContact CD1-CD2 4.48Å; I465-W478 HydrophobicContact CD1-CE3 3.91Å; I465-W478 HydrophobicContact CD1-CZ3 4.17Å; I465-W478 HydrophobicContact CG2-CB 3.65Å; I465-W478 HydrophobicContact CG2-CD2 4.22Å; I465-W478 HydrophobicContact CG2-CE3 3.69Å; I465-W478 HydrophobicContact CG2-CG 4.27Å; I465-I481 HydrophobicContact CG2-CB 4.03Å; I465-I481 HydrophobicContact CG2-CG2 4.1Å; I465-W486 HydrophobicContact CD1-CE3 4.12Å; I465-W486 HydrophobicContact CD1-CH2 4.28Å; I465-W486 HydrophobicContact CD1-CZ3 3.82Å
466L92.5Very high80.4Confident8 Ų843.8 Ų43.84%0.04224%0.244CC..BIsolated β-bridgetrans-111.3125.8-179.2-65.8177.7000110.1I434 I435 R445 I458 P460 H463I434-L466 HydrophobicContact CB-CB 4.49Å; I434-L466 HydrophobicContact CD1-CD1 4.4Å; I434-L466 HydrophobicContact CG1-CB 4.23Å; I434-L466 HydrophobicContact CG1-CD1 4.22Å; I434-L466 HydrophobicContact CG2-CB 4.14Å; I435-L466 PolarHBondContact N-O 3.46Å; R445-L466 HydrophobicContact CG-CD1 4.42Å; I458-L466 HydrophobicContact CB-CD2 4.43Å; I458-L466 HydrophobicContact CG2-CD2 3.7Å; P460-L466 HydrophobicContact CB-CD1 4.49Å; H463-L466 HydrophobicContact CB-CD2 3.69Å
467C93.7Very high82.1Confident0 Ų043.7 Ų43.70%024%0.244CC..  trans-14187.4171.8-175.70000107.4I435 N476 I477 W478I435-C467 HydrophobicContact CB-CB 3.99Å; I435-C467 HydrophobicContact CG2-CB 4.4Å; I435-C467 WeakPolarHBondContact O-CA 3.42Å; C467-N476 PolarHBondContact N-OD1 2.82Å; C467-N476 PolarHBondContact O-OD1 3.38Å; C467-I477 HydrophobicContact CB-CB 4.43Å; C467-I477 PolarHBondContact O-N 2.88Å; C467-W478 HydrophobicContact CB-CB 4.14Å; C467-W478 HydrophobicContact CB-CG 3.78Å
468P92.3Very high83.6Confident5 Ų536.1 Ų36.13%0.03221%0.207CC..EExtended strand (participates in β ladder)trans-58.4137.2179.9-22.633.3000111I434 I435 H456 I458 P470 C475I434-P468 VanDerWaalsContact CG2-CD 3.48Å; I434-P468 HydrophobicContact CG2-CG 3.81Å; I435-P468 WeakPolarHBondContact O-CD 3.44Å; H456-P468 HydrophobicContact CB-CB 4.38Å; H456-P468 HydrophobicContact CB-CG 4.03Å; H456-P468 VanDerWaalsContact CG-CG 3.5Å; I458-P468 HydrophobicContact CD1-CB 4.1Å; I458-P468 HydrophobicContact CD1-CG 4.1Å; P468-P470 WeakPolarHBondContact O-CD 3.46Å; P468-C475 CarbonylContact C-O 3.48Å; P468-C475 WeakPolarHBondContact CA-O 3.34Å
469D90.6Very high84.6Confident13 Ų1338.3 Ų38.37%0.0722%0.223CC..EExtended strand (participates in β ladder)trans-66.9121.8172.3-173.7-47.5000108.9T471 Y472 P473 C475 I477D469-T471 PolarHBondContact O-N 3.21Å; D469-T471 VanDerWaalsContact O-N 3.16Å; D469-T471 WeakPolarHBondContact OD1-CA 3.17Å; D469-T471 WeakPolarHBondContact OD1-CB 3.34Å; D469-T471 PolarHBondContact OD1-N 2.94Å; D469-T471 PolarHBondContact OD1-OG1 2.92Å; D469-Y472 WeakPolarHBondContact CB-O 3.39Å; D469-Y472 CarbonylContact O-C 3.59Å; D469-Y472 PolarHBondContact O-N 3.43Å; D469-Y472 PolarHBondContact OD1-N 3.3Å; D469-P473 VanDerWaalsContact O-CA 3.25Å; D469-P473 WeakPolarHBondContact O-CA 3.25Å; D469-C475 HydrophobicContact CB-CB 4.27Å; D469-C475 PolarHBondContact N-O 3.49Å; D469-I477 HydrophobicContact CB-CD1 4.32Å; D469-I477 HydrophobicContact CB-CG1 4.04Å
470P90.5Very high85.7Confident7 Ų735.2 Ų35.25%0.04521%0.212CC..THydrogen-bonded Turntrans-67.1-17.2-176.125.5-32.7000113.1M319 F380 L437 R438 P468M319-P470 HydrophobicContact CE-CG 3.69Å; M319-P470 HydrophobicContact SD-CG 4.44Å; F380-P470 HydrophobicContact CB-CB 4.37Å; F380-P470 HydrophobicContact CD2-CB 3.71Å; F380-P470 HydrophobicContact CD2-CG 3.31Å; F380-P470 HydrophobicContact CE2-CG 3.66Å; F380-P470 HydrophobicContact CG-CG 4.48Å; L437-P470 HydrophobicContact CB-CB 4.38Å; L437-P470 HydrophobicContact CB-CG 4.12Å; L437-P470 HydrophobicContact CD1-CG 4.42Å; R438-P470 HydrophobicContact CB-CB 4.11Å; P468-P470 WeakPolarHBondContact O-CD 3.46Å
471T87.2Confident87.2Confident16 Ų1633.3 Ų33.310%0.09820%0.199CC..THydrogen-bonded Turntrans-95-19.7173.465.40000112.5K318 I322 D469K318-T471 HydrophobicContact CB-CG2 3.76Å; I322-T471 HydrophobicContact CD1-CG2 3.52Å; D469-T471 PolarHBondContact O-N 3.21Å; D469-T471 VanDerWaalsContact O-N 3.16Å; D469-T471 WeakPolarHBondContact OD1-CA 3.17Å; D469-T471 WeakPolarHBondContact OD1-CB 3.34Å; D469-T471 PolarHBondContact OD1-N 2.94Å; D469-T471 PolarHBondContact OD1-OG1 2.92Å
472Y84.6Confident88.4Confident22 Ų2232.4 Ų32.49%0.08618%0.175CC..EExtended strand (participates in β ladder)trans-14777.3179.9-68.3-80.8000111.6S312 T313 H315 K318 D469 Q474 C475S312-Y472 PolarHBondContact O-OH 3.36Å; T313-Y472 WeakPolarHBondContact CA-OH 3.34Å; H315-Y472 HydrophobicContact CB-CD2 3.69Å; H315-Y472 HydrophobicContact CB-CE2 3.97Å; H315-Y472 AromaticContact CD2-CD1 3.85Å; H315-Y472 AromaticContact CD2-CD2 3.07Å; H315-Y472 WeakPolarHBondContact CD2-CD2 3.35Å; H315-Y472 AromaticContact CD2-CE1 3.91Å; H315-Y472 AromaticContact CD2-CE2 3.17Å; H315-Y472 WeakPolarHBondContact CD2-CE2 3.26Å; H315-Y472 AromaticContact CD2-CG 3.45Å; H315-Y472 VanDerWaalsContact CD2-CG 3.45Å; H315-Y472 AromaticContact CD2-CZ 3.59Å; H315-Y472 AromaticContact CE1-CD2 3.79Å; H315-Y472 AromaticContact CE1-CG 3.5Å; H315-Y472 AromaticContact CG-CD2 3.18Å; H315-Y472 AromaticContact CG-CE2 3.62Å; H315-Y472 AromaticContact CG-CG 3.75Å; H315-Y472 AromaticContact ND1-CD2 3.63Å; H315-Y472 AromaticContact ND1-CG 3.77Å; H315-Y472 AromaticContact NE2-CD1 3.51Å; H315-Y472 AromaticContact NE2-CD2 3.53Å; H315-Y472 AromaticContact NE2-CE1 3.85Å; H315-Y472 AromaticContact NE2-CE2 3.91Å; H315-Y472 AromaticContact NE2-CG 3.34Å; H315-Y472 VanDerWaalsContact NE2-CG 3.34Å; K318-Y472 HydrophobicContact CD-CE2 4.3Å; D469-Y472 WeakPolarHBondContact CB-O 3.39Å; D469-Y472 CarbonylContact O-C 3.59Å; D469-Y472 PolarHBondContact O-N 3.43Å; D469-Y472 PolarHBondContact OD1-N 3.3Å; Y472-Q474 PolarHBondContact O-N 3.3Å; Y472-Q474 PolarHBondContact O-OE1 2.69Å; Y472-C475 PolarHBondContact O-N 3.03Å
473P85.6Confident89.2Confident32 Ų3230.5 Ų30.521%0.20817%0.168CC..EExtended strand (participates in β ladder)trans-58.7-17.1-168.7-27.636.3000116I458 D469 C475I458-P473 WeakPolarHBondContact CD1-O 3.25Å; I458-P473 WeakPolarHBondContact CG1-O 3.19Å; D469-P473 VanDerWaalsContact O-CA 3.25Å; D469-P473 WeakPolarHBondContact O-CA 3.25Å; P473-C475 PolarHBondContact O-N 2.87Å
474Q82.7Confident89.5Confident100 Ų10031.8 Ų31.847%0.46718%0.176SC..EExtended strand (participates in β ladder)trans-74.2-8.9173.473.8-81.629.700114.1M457 Y472M457-Q474 HydrophobicContact CB-CB 4.41Å; Y472-Q474 PolarHBondContact O-N 3.3Å; Y472-Q474 PolarHBondContact O-OE1 2.69Å
475C84.3Confident89.6Confident13 Ų1330.5 Ų30.59%0.08817%0.171CC..EExtended strand (participates in β ladder)trans-107.4134.4180-65.30000111.1R280 H315 P468 D469 Y472 P473R280-C475 PolarHBondContact NH1-SG 3.41Å; R280-C475 PolarHBondContact NH2-SG 2.86Å; H315-C475 VanDerWaalsContact CE1-SG 3.57Å; P468-C475 CarbonylContact C-O 3.48Å; P468-C475 WeakPolarHBondContact CA-O 3.34Å; D469-C475 HydrophobicContact CB-CB 4.27Å; D469-C475 PolarHBondContact N-O 3.49Å; Y472-C475 PolarHBondContact O-N 3.03Å; P473-C475 PolarHBondContact O-N 2.87Å
476N89.2Confident89.6Confident19 Ų1931 Ų3110%0.10217%0.173CC..EExtended strand (participates in β ladder)trans-92.8113.8173.5-172.57.4000110.5I458 I465 C467 W478 S479I458-N476 HydrophobicContact CD1-CB 4.01Å; I458-N476 HydrophobicContact CG2-CB 4.44Å; I465-N476 PolarHBondContact O-ND2 3.34Å; C467-N476 PolarHBondContact N-OD1 2.82Å; C467-N476 PolarHBondContact O-OD1 3.38Å; N476-W478 PolarHBondContact O-N 2.82Å; N476-W478 PolarHBondContact OD1-N 3.2Å; N476-W478 VanDerWaalsContact OD1-N 3.07Å; N476-S479 PolarHBondContact O-N 3.46Å
477I91.1Very high89.7Confident20 Ų2033 Ų3310%0.10319%0.188CC..THydrogen-bonded Turntrans-57.2-35174.6-67.3173.9000110.7M319 F361 K362 L437 C467 D469 S479M319-I477 HydrophobicContact CE-CD1 3.92Å; F361-I477 HydrophobicContact CD1-CG2 3.85Å; F361-I477 HydrophobicContact CE1-CB 4.45Å; F361-I477 HydrophobicContact CE1-CD1 4.07Å; F361-I477 HydrophobicContact CE1-CG1 4.08Å; F361-I477 HydrophobicContact CE1-CG2 3.6Å; F361-I477 HydrophobicContact CZ-CD1 4.19Å; K362-I477 WeakPolarHBondContact CE-O 3.33Å; K362-I477 HydrophobicContact CG-CG2 4.35Å; L437-I477 HydrophobicContact CD1-CD1 3.77Å; C467-I477 HydrophobicContact CB-CB 4.43Å; C467-I477 PolarHBondContact O-N 2.88Å; D469-I477 HydrophobicContact CB-CD1 4.32Å; D469-I477 HydrophobicContact CB-CG1 4.04Å; I477-S479 VanDerWaalsContact C-N 3.34Å; I477-S479 PolarHBondContact O-N 2.94Å
478W91.8Very high89.5Confident1 Ų134.5 Ų34.50%0.00419%0.194CC..THydrogen-bonded Turntrans-93.615.3-173.2-76.458.4000114.3F358 K362 S365 L366 I465 C467 N476 G480 I481 W486F358-W478 HydrophobicContact CD1-CH2 4.35Å; F358-W478 HydrophobicContact CD1-CZ3 4.37Å; F358-W478 AromaticContact CE1-CH2 3.67Å; F358-W478 HydrophobicContact CE1-CH2 3.67Å; F358-W478 AromaticContact CE1-CZ3 3.53Å; F358-W478 HydrophobicContact CE1-CZ3 3.53Å; F358-W478 HydrophobicContact CZ-CZ3 4.24Å; K362-W478 HydrophobicContact CB-CZ2 4.22Å; K362-W478 WeakPolarHBondContact O-CZ2 3.3Å; S365-W478 PolarHBondContact OG-NE1 3.41Å; L366-W478 HydrophobicContact CB-CH2 3.96Å; L366-W478 HydrophobicContact CB-CZ2 3.42Å; L366-W478 VanDerWaalsContact CB-CZ2 3.42Å; L366-W478 HydrophobicContact CD2-CH2 3.77Å; L366-W478 HydrophobicContact CD2-CZ2 4.14Å; L366-W478 HydrophobicContact CG-CH2 4.41Å; L366-W478 HydrophobicContact CG-CZ2 4.3Å; I465-W478 HydrophobicContact CD1-CD2 4.48Å; I465-W478 HydrophobicContact CD1-CE3 3.91Å; I465-W478 HydrophobicContact CD1-CZ3 4.17Å; I465-W478 HydrophobicContact CG2-CB 3.65Å; I465-W478 HydrophobicContact CG2-CD2 4.22Å; I465-W478 HydrophobicContact CG2-CE3 3.69Å; I465-W478 HydrophobicContact CG2-CG 4.27Å; C467-W478 HydrophobicContact CB-CB 4.14Å; C467-W478 HydrophobicContact CB-CG 3.78Å; N476-W478 PolarHBondContact O-N 2.82Å; N476-W478 PolarHBondContact OD1-N 3.2Å; N476-W478 VanDerWaalsContact OD1-N 3.07Å; W478-G480 PolarHBondContact O-N 3.45Å; W478-I481 HydrophobicContact CE3-CB 4.28Å; W478-I481 HydrophobicContact CE3-CG1 3.83Å; W478-I481 HydrophobicContact CE3-CG2 4.23Å; W478-I481 HydrophobicContact CZ3-CG1 4.42Å; W478-I481 HydrophobicContact CZ3-CG2 4.48Å; W478-I481 WeakPolarHBondContact O-CB 3.41Å; W478-I481 WeakPolarHBondContact O-CG1 3.29Å; W478-I481 PolarHBondContact O-N 2.87Å; W478-W486 HydrophobicContact CE3-CZ3 4.49Å; W478-W486 AromaticContact CH2-CZ3 3.86Å; W478-W486 HydrophobicContact CH2-CZ3 3.86Å; W478-W486 AromaticContact CZ3-CE3 3.87Å; W478-W486 HydrophobicContact CZ3-CE3 3.87Å; W478-W486 AromaticContact CZ3-CZ3 3.51Å; W478-W486 HydrophobicContact CZ3-CZ3 3.51Å
479S88.3Confident89.6Confident62 Ų6234.8 Ų34.843%0.43420%0.195SC..THydrogen-bonded Turntrans-52137.3173.1-1720000111.7K362 N476 I477K362-S479 PolarHBondContact NZ-O 3.4Å; N476-S479 PolarHBondContact O-N 3.46Å; I477-S479 VanDerWaalsContact C-N 3.34Å; I477-S479 PolarHBondContact O-N 2.94Å
480G87.4Confident89.8Confident38 Ų3834.9 Ų34.939%0.39220%0.196SC..THydrogen-bonded Turntrans91.5-15.5-177.900000115.3P356 W478 H485P356-G480 CarbonylContact O-C 3.54Å; W478-G480 PolarHBondContact O-N 3.45Å; G480-H485 PolarHBondContact O-ND1 2.89Å
481I91Very high90Very high8 Ų839 Ų394%0.04121%0.214CC..  trans-74.4133.2171.7-57.1-57.8000109.2G357 F358 K362 I465 W478 H485G357-I481 VanDerWaalsContact C-CD1 3.42Å; F358-I481 HydrophobicContact CD1-CD1 4.25Å; F358-I481 HydrophobicContact CD2-CD1 4.26Å; F358-I481 HydrophobicContact CE1-CD1 4.39Å; F358-I481 HydrophobicContact CE2-CD1 4.38Å; F358-I481 HydrophobicContact CG-CD1 4.19Å; F358-I481 HydrophobicContact CZ-CD1 4.45Å; K362-I481 HydrophobicContact CD-CD1 4.07Å; K362-I481 HydrophobicContact CD-CG1 4.08Å; I465-I481 HydrophobicContact CG2-CB 4.03Å; I465-I481 HydrophobicContact CG2-CG2 4.1Å; W478-I481 HydrophobicContact CE3-CB 4.28Å; W478-I481 HydrophobicContact CE3-CG1 3.83Å; W478-I481 HydrophobicContact CE3-CG2 4.23Å; W478-I481 HydrophobicContact CZ3-CG1 4.42Å; W478-I481 HydrophobicContact CZ3-CG2 4.48Å; W478-I481 WeakPolarHBondContact O-CB 3.41Å; W478-I481 WeakPolarHBondContact O-CG1 3.29Å; W478-I481 PolarHBondContact O-N 2.87Å; I481-H485 HydrophobicContact CD1-CB 4.45Å; I481-H485 HydrophobicContact CG2-CB 4.07Å
482N91.3Very high90.3Very high65 Ų6538.4 Ų38.435%0.34821%0.211SC..  trans-126.5-178.81786821.7000109.4F464 D484 H485 W486F464-N482 VanDerWaalsContact CD1-C 3.49Å; N482-D484 VanDerWaalsContact C-N 3.35Å; N482-D484 PolarHBondContact O-N 3.19Å; N482-D484 PolarHBondContact OD1-N 2.93Å; N482-D484 VanDerWaalsContact OD1-N 3.09Å; N482-H485 PolarHBondContact N-ND1 3.49Å; N482-H485 PolarHBondContact ND2-ND1 2.91Å; N482-H485 PolarHBondContact O-N 3.05Å; N482-H485 PolarHBondContact OD1-N 3.45Å; N482-H485 PolarHBondContact OD1-ND1 3.28Å; N482-W486 PolarHBondContact O-N 3.35Å
483E92.2Very high90.9Very high130 Ų13037.4 Ų37.461%0.60721%0.207SC*.Hα-helixtrans-60.9-39-178.4-171.7176.1-175.900113.6F464 W486 S487F464-E483 HydrophobicContact CD2-CB 4.07Å; F464-E483 HydrophobicContact CE2-CB 3.62Å; F464-E483 HydrophobicContact CE2-CG 3.94Å; F464-E483 HydrophobicContact CZ-CB 3.92Å; F464-E483 HydrophobicContact CZ-CG 4.09Å; E483-W486 PolarHBondContact O-N 3.08Å; E483-S487 VanDerWaalsContact O-CB 3.24Å; E483-S487 WeakPolarHBondContact O-CB 3.22Å; E483-S487 PolarHBondContact O-N 3.09Å; E483-S487 PolarHBondContact O-OG 2.91Å
484D91.1Very high91.3Very high64 Ų6442.3 Ų42.334%0.34222%0.221SC..Hα-helixtrans-66.2-44.5178.1173.669.3000111.5N482 W486 S487 K488 N530N482-D484 VanDerWaalsContact C-N 3.35Å; N482-D484 PolarHBondContact O-N 3.19Å; N482-D484 PolarHBondContact OD1-N 2.93Å; N482-D484 VanDerWaalsContact OD1-N 3.09Å; D484-W486 PolarHBondContact O-N 3.35Å; D484-S487 PolarHBondContact O-N 3.23Å; D484-K488 WeakPolarHBondContact O-CG 3.39Å; D484-K488 PolarHBondContact O-N 3.34Å; D484-K488 VanDerWaalsContact O-N 3.08Å; D484-K488 WeakPolarHBondContact OD1-CE 3.44Å; D484-K488 IonicContact OD1-NZ 2.82Å; D484-K488 PolarHBondContact OD1-NZ 2.95Å; D484-K488 IonicContact OD2-NZ 2.82Å; D484-K488 PolarHBondContact OD2-NZ 2.92Å; D484-N530 VanDerWaalsContact OD2-CG 3.22Å; D484-N530 PolarHBondContact OD2-ND2 3.02Å; D484-N530 PolarHBondContact OD2-OD1 3.19Å
485H91.8Very high91.8Very high16 Ų1639.5 Ų39.57%0.07421%0.211CC..Hα-helixtrans-56.1-50.8173.3-66.1125.1000110.9F358 G480 I481 N482 K488 F489 N530 D533F358-H485 HydrophobicContact CE2-CB 4.08Å; F358-H485 WeakPolarHBondContact CE2-O 3.31Å; G480-H485 PolarHBondContact O-ND1 2.89Å; I481-H485 HydrophobicContact CD1-CB 4.45Å; I481-H485 HydrophobicContact CG2-CB 4.07Å; N482-H485 PolarHBondContact N-ND1 3.49Å; N482-H485 PolarHBondContact ND2-ND1 2.91Å; N482-H485 PolarHBondContact O-N 3.05Å; N482-H485 PolarHBondContact OD1-N 3.45Å; N482-H485 PolarHBondContact OD1-ND1 3.28Å; H485-K488 PolarHBondContact O-N 3.26Å; H485-F489 PolarHBondContact O-N 3.34Å; H485-F489 VanDerWaalsContact O-N 3.09Å; H485-N530 PolarHBondContact CD2-ND2 3.48Å; H485-N530 PolarHBondContact NE2-ND2 2.79Å; H485-D533 IonicContact NE2-OD2 3.23Å
486W93.5Very high92.3Very high12 Ų1239.2 Ų39.25%0.04521%0.208CC..Hα-helixtrans-66.1-43.3-178.1-174.3-97.5000112.8F358 L366 V425 I428 P430 F464 I465 W478 N482 E483 D484 K488 F489 V490F358-W486 HydrophobicContact CZ-CE3 4.43Å; L366-W486 HydrophobicContact CD2-CH2 4.07Å; L366-W486 HydrophobicContact CD2-CZ3 4.21Å; V425-W486 HydrophobicContact CG1-CH2 4.24Å; V425-W486 HydrophobicContact CG1-CZ2 4.22Å; I428-W486 HydrophobicContact CB-CH2 4.33Å; I428-W486 HydrophobicContact CB-CZ2 3.82Å; I428-W486 HydrophobicContact CD1-CH2 4.45Å; I428-W486 HydrophobicContact CG2-CH2 4Å; I428-W486 HydrophobicContact CG2-CZ2 3.62Å; P430-W486 HydrophobicContact CG-CD2 3.57Å; P430-W486 VanDerWaalsContact CG-CE2 3.4Å; P430-W486 HydrophobicContact CG-CE3 4.29Å; P430-W486 HydrophobicContact CG-CG 3.69Å; P430-W486 HydrophobicContact CG-CZ2 4.02Å; P430-W486 VanDerWaalsContact CG-NE1 3.35Å; F464-W486 HydrophobicContact CD1-CB 4.43Å; F464-W486 HydrophobicContact CE1-CB 3.5Å; F464-W486 VanDerWaalsContact CE1-CB 3.5Å; F464-W486 AromaticContact CE1-CG 3.88Å; F464-W486 HydrophobicContact CE1-CG 3.88Å; F464-W486 HydrophobicContact CZ-CB 4.16Å; F464-W486 HydrophobicContact CZ-CG 4.42Å; I465-W486 HydrophobicContact CD1-CE3 4.12Å; I465-W486 HydrophobicContact CD1-CH2 4.28Å; I465-W486 HydrophobicContact CD1-CZ3 3.82Å; W478-W486 HydrophobicContact CE3-CZ3 4.49Å; W478-W486 AromaticContact CH2-CZ3 3.86Å; W478-W486 HydrophobicContact CH2-CZ3 3.86Å; W478-W486 AromaticContact CZ3-CE3 3.87Å; W478-W486 HydrophobicContact CZ3-CE3 3.87Å; W478-W486 AromaticContact CZ3-CZ3 3.51Å; W478-W486 HydrophobicContact CZ3-CZ3 3.51Å; N482-W486 PolarHBondContact O-N 3.35Å; E483-W486 PolarHBondContact O-N 3.08Å; D484-W486 PolarHBondContact O-N 3.35Å; W486-K488 VanDerWaalsContact C-N 3.31Å; W486-K488 PolarHBondContact O-N 3.04Å; W486-F489 HydrophobicContact CE3-CD1 4.23Å; W486-F489 HydrophobicContact CZ3-CD1 4.1Å; W486-F489 HydrophobicContact CZ3-CE1 4.37Å; W486-F489 WeakPolarHBondContact O-CB 3.28Å; W486-F489 PolarHBondContact O-N 3.29Å; W486-V490 WeakPolarHBondContact O-CG2 3.43Å; W486-V490 PolarHBondContact O-N 3.39Å
487S93Very high92.6Very high51 Ų5140 Ų4036%0.35721%0.211SC..Hα-helixtrans-59.4-42178.8-64.30000111.8E483 D484 V490 Q491E483-S487 VanDerWaalsContact O-CB 3.24Å; E483-S487 WeakPolarHBondContact O-CB 3.22Å; E483-S487 PolarHBondContact O-N 3.09Å; E483-S487 PolarHBondContact O-OG 2.91Å; D484-S487 PolarHBondContact O-N 3.23Å; S487-V490 PolarHBondContact O-N 3.08Å; S487-Q491 WeakPolarHBondContact O-CG 3.4Å; S487-Q491 PolarHBondContact O-N 3.45Å
488K90Very high92.6Very high31 Ų3143.5 Ų43.514%0.13523%0.23CC..Hα-helixtrans-64.2-41.3173.6-74169.2-179.8160.20112.1D484 H485 W486 Q491 I492 N530D484-K488 WeakPolarHBondContact O-CG 3.39Å; D484-K488 PolarHBondContact O-N 3.34Å; D484-K488 VanDerWaalsContact O-N 3.08Å; D484-K488 WeakPolarHBondContact OD1-CE 3.44Å; D484-K488 IonicContact OD1-NZ 2.82Å; D484-K488 PolarHBondContact OD1-NZ 2.95Å; D484-K488 IonicContact OD2-NZ 2.82Å; D484-K488 PolarHBondContact OD2-NZ 2.92Å; H485-K488 PolarHBondContact O-N 3.26Å; W486-K488 VanDerWaalsContact C-N 3.31Å; W486-K488 PolarHBondContact O-N 3.04Å; K488-Q491 WeakPolarHBondContact O-CB 3.47Å; K488-Q491 PolarHBondContact O-N 2.82Å; K488-I492 WeakPolarHBondContact O-CG1 3.3Å; K488-I492 PolarHBondContact O-N 3.31Å; K488-N530 PolarHBondContact NZ-OD1 3.43Å
489F94.5Very high92.7Very high10 Ų1044.3 Ų44.34%0.04424%0.235CC..Hα-helixtrans-62.5-43.3176.6-179.1-139.7000112L349 F358 L363 L366 V425 H485 W486 Q491 I492 C493L349-F489 HydrophobicContact CD1-CB 4.42Å; L349-F489 HydrophobicContact CD1-CD2 4.2Å; L349-F489 HydrophobicContact CD2-CD2 3.5Å; L349-F489 VanDerWaalsContact CD2-CD2 3.5Å; L349-F489 HydrophobicContact CD2-CE2 3.6Å; L349-F489 HydrophobicContact CD2-CG 4.44Å; F358-F489 HydrophobicContact CE1-CB 4.48Å; F358-F489 AromaticContact CE1-CD1 3.82Å; F358-F489 HydrophobicContact CE1-CD1 3.82Å; F358-F489 HydrophobicContact CE1-CE1 4.27Å; F358-F489 HydrophobicContact CE1-CG 4.18Å; F358-F489 HydrophobicContact CE2-CB 3.7Å; F358-F489 HydrophobicContact CE2-CG 4.21Å; F358-F489 HydrophobicContact CZ-CB 3.55Å; F358-F489 AromaticContact CZ-CD1 3.6Å; F358-F489 HydrophobicContact CZ-CD1 3.6Å; F358-F489 HydrophobicContact CZ-CE1 4.48Å; F358-F489 AromaticContact CZ-CG 3.71Å; F358-F489 HydrophobicContact CZ-CG 3.71Å; L363-F489 HydrophobicContact CD2-CE1 4.21Å; L363-F489 HydrophobicContact CD2-CE2 4.12Å; L363-F489 HydrophobicContact CD2-CZ 3.84Å; L366-F489 HydrophobicContact CD2-CE1 3.72Å; L366-F489 HydrophobicContact CD2-CZ 4.35Å; V425-F489 HydrophobicContact CB-CE1 4.4Å; V425-F489 HydrophobicContact CG1-CD1 3.76Å; V425-F489 HydrophobicContact CG1-CE1 3.42Å; V425-F489 VanDerWaalsContact CG1-CE1 3.42Å; V425-F489 HydrophobicContact CG1-CZ 3.93Å; V425-F489 HydrophobicContact CG2-CE1 4.01Å; V425-F489 HydrophobicContact CG2-CZ 4Å; H485-F489 PolarHBondContact O-N 3.34Å; H485-F489 VanDerWaalsContact O-N 3.09Å; W486-F489 HydrophobicContact CE3-CD1 4.23Å; W486-F489 HydrophobicContact CZ3-CD1 4.1Å; W486-F489 HydrophobicContact CZ3-CE1 4.37Å; W486-F489 WeakPolarHBondContact O-CB 3.28Å; W486-F489 PolarHBondContact O-N 3.29Å; F489-Q491 VanDerWaalsContact C-N 3.34Å; F489-Q491 PolarHBondContact O-N 3.12Å; F489-I492 WeakPolarHBondContact O-CB 3.33Å; F489-I492 PolarHBondContact O-N 2.98Å; F489-C493 VanDerWaalsContact CE2-SG 3.57Å; F489-C493 PolarHBondContact O-N 3.37Å; F489-C493 PolarHBondContact O-SG 3.46Å; F489-C493 VanDerWaalsContact O-SG 3.37Å
490V95.7Very high92.9Very high15 Ų1542 Ų429%0.09122%0.218CC..Hα-helixtrans-61.5-40.6173.9172.20000111.6V425 W486 S487 C493 R494V425-V490 HydrophobicContact CG1-CG2 4.49Å; W486-V490 WeakPolarHBondContact O-CG2 3.43Å; W486-V490 PolarHBondContact O-N 3.39Å; S487-V490 PolarHBondContact O-N 3.08Å; V490-C493 PolarHBondContact O-N 2.99Å; V490-R494 WeakPolarHBondContact O-CG 3.38Å; V490-R494 PolarHBondContact O-N 3.22Å
491Q93.4Very high93Very high94 Ų9447.9 Ų47.944%0.43924%0.235SC..Hα-helixtrans-61.3-43.7174.7-73174.411.300112.1S487 K488 F489 C493 R494 V495S487-Q491 WeakPolarHBondContact O-CG 3.4Å; S487-Q491 PolarHBondContact O-N 3.45Å; K488-Q491 WeakPolarHBondContact O-CB 3.47Å; K488-Q491 PolarHBondContact O-N 2.82Å; F489-Q491 VanDerWaalsContact C-N 3.34Å; F489-Q491 PolarHBondContact O-N 3.12Å; Q491-C493 VanDerWaalsContact C-N 3.31Å; Q491-C493 PolarHBondContact O-N 3.42Å; Q491-R494 PolarHBondContact O-N 2.93Å; Q491-V495 WeakPolarHBondContact O-CG2 3.43Å; Q491-V495 PolarHBondContact O-N 3.32Å; Q491-V495 VanDerWaalsContact O-N 3.14Å
492I94Very high92.9Very high3 Ų355 Ų552%0.01527%0.27CS..Hα-helixtrans-58.6-46173.6-66.3165.6000110.1L347 L349 K488 F489 R494 V495 L496 F528L347-I492 HydrophobicContact CD1-CG2 3.71Å; L349-I492 HydrophobicContact CD1-CD1 3.98Å; K488-I492 WeakPolarHBondContact O-CG1 3.3Å; K488-I492 PolarHBondContact O-N 3.31Å; F489-I492 WeakPolarHBondContact O-CB 3.33Å; F489-I492 PolarHBondContact O-N 2.98Å; I492-R494 VanDerWaalsContact C-N 3.35Å; I492-R494 PolarHBondContact O-N 2.96Å; I492-V495 PolarHBondContact O-N 3.11Å; I492-L496 HydrophobicContact CG2-CD1 3.86Å; I492-L496 HydrophobicContact CG2-CG 4.28Å; I492-L496 WeakPolarHBondContact O-CG 3.28Å; I492-L496 PolarHBondContact O-N 3.3Å; I492-F528 HydrophobicContact CD1-CB 3.87Å; I492-F528 HydrophobicContact CD1-CD1 4.13Å; I492-F528 HydrophobicContact CD1-CD2 4.15Å; I492-F528 HydrophobicContact CD1-CG 3.8Å; I492-F528 HydrophobicContact CG1-CB 4.1Å; I492-F528 HydrophobicContact CG1-CD1 3.41Å; I492-F528 VanDerWaalsContact CG1-CD1 3.41Å; I492-F528 HydrophobicContact CG1-CD2 3.71Å; I492-F528 HydrophobicContact CG1-CE1 3.63Å; I492-F528 HydrophobicContact CG1-CE2 3.92Å; I492-F528 HydrophobicContact CG1-CG 3.46Å; I492-F528 VanDerWaalsContact CG1-CG 3.46Å; I492-F528 HydrophobicContact CG1-CZ 3.88Å
493C96.1Very high92.6Very high1 Ų155.9 Ų55.91%0.00727%0.272CS..Hα-helixtrans-61.3-40.8-179.1-71.90000112.8L422 V425 F489 V490 Q491 L496 Q497L422-C493 HydrophobicContact CD2-CB 3.9Å; V425-C493 HydrophobicContact CG1-CB 4.5Å; F489-C493 VanDerWaalsContact CE2-SG 3.57Å; F489-C493 PolarHBondContact O-N 3.37Å; F489-C493 PolarHBondContact O-SG 3.46Å; F489-C493 VanDerWaalsContact O-SG 3.37Å; V490-C493 PolarHBondContact O-N 2.99Å; Q491-C493 VanDerWaalsContact C-N 3.31Å; Q491-C493 PolarHBondContact O-N 3.42Å; C493-L496 PolarHBondContact O-N 2.97Å; C493-Q497 WeakPolarHBondContact O-CG 3.23Å; C493-Q497 PolarHBondContact O-N 3.3Å
494R95.1Very high92.2Very high136 Ų13650 Ų5051%0.51325%0.245SC..Hα-helixtrans-62.7-46.3175.3-70.6176-177.9151.32112.2V490 Q491 I492 L496 Q497 D498V490-R494 WeakPolarHBondContact O-CG 3.38Å; V490-R494 PolarHBondContact O-N 3.22Å; Q491-R494 PolarHBondContact O-N 2.93Å; I492-R494 VanDerWaalsContact C-N 3.35Å; I492-R494 PolarHBondContact O-N 2.96Å; R494-L496 VanDerWaalsContact C-N 3.25Å; R494-L496 PolarHBondContact O-N 2.93Å; R494-Q497 WeakPolarHBondContact O-CB 3.3Å; R494-Q497 PolarHBondContact O-N 3.23Å; R494-Q497 VanDerWaalsContact O-N 3.11Å; R494-D498 PolarHBondContact O-N 3.17Å; R494-D498 VanDerWaalsContact O-N 3.11Å
495V93.1Very high91.9Very high40 Ų4053.3 Ų53.324%0.24226%0.263CS..Hα-helixtrans-60.6-38.2176.3173.90000111.4Q491 I492 T499 L520 F528Q491-V495 WeakPolarHBondContact O-CG2 3.43Å; Q491-V495 PolarHBondContact O-N 3.32Å; Q491-V495 VanDerWaalsContact O-N 3.14Å; I492-V495 PolarHBondContact O-N 3.11Å; V495-T499 WeakPolarHBondContact O-CB 3.38Å; V495-T499 PolarHBondContact O-N 3.14Å; V495-T499 PolarHBondContact O-OG1 2.76Å; V495-L520 HydrophobicContact CG1-CD1 3.75Å; V495-L520 HydrophobicContact CG1-CD2 3.75Å; V495-L520 HydrophobicContact CG1-CG 4.42Å; V495-F528 HydrophobicContact CG2-CZ 4.48Å
496L95.4Very high91.7Very high7 Ų756.2 Ų56.24%0.03728%0.276CS..Hα-helixtrans-68.2-35176.2-70.6173.8000112.7L343 L347 L422 I492 C493 R494 T499 L500 L517L343-L496 HydrophobicContact CD1-CD1 4.5Å; L347-L496 HydrophobicContact CD1-CD1 3.79Å; L347-L496 HydrophobicContact CD1-CD2 3.89Å; L347-L496 HydrophobicContact CD1-CG 4.17Å; L422-L496 HydrophobicContact CD1-CB 3.64Å; L422-L496 HydrophobicContact CD2-CB 4.1Å; L422-L496 HydrophobicContact CD2-CD1 4.02Å; I492-L496 HydrophobicContact CG2-CD1 3.86Å; I492-L496 HydrophobicContact CG2-CG 4.28Å; I492-L496 WeakPolarHBondContact O-CG 3.28Å; I492-L496 PolarHBondContact O-N 3.3Å; C493-L496 PolarHBondContact O-N 2.97Å; R494-L496 VanDerWaalsContact C-N 3.25Å; R494-L496 PolarHBondContact O-N 2.93Å; L496-T499 PolarHBondContact O-N 3.24Å; L496-L500 WeakPolarHBondContact O-CB 3.19Å; L496-L500 PolarHBondContact O-N 2.82Å; L496-L517 HydrophobicContact CD2-CB 3.96Å; L496-L517 HydrophobicContact CD2-CD2 3.88Å; L496-L517 HydrophobicContact CD2-CG 4.43Å; L496-L517 WeakPolarHBondContact CD2-O 3.14Å
497Q94.7Very high91.2Very high36 Ų3658.9 Ų58.917%0.16829%0.291CS..Hα-helixtrans-61.4-53.8174.3-73.7170.1-18.200110.5L422 V423 C493 R494 T499 L500 E501L422-Q497 HydrophobicContact CB-CG 3.57Å; L422-Q497 HydrophobicContact CD1-CG 3.87Å; L422-Q497 HydrophobicContact CG-CG 4.36Å; L422-Q497 PolarHBondContact O-NE2 3.3Å; V423-Q497 VanDerWaalsContact CA-NE2 3.3Å; C493-Q497 WeakPolarHBondContact O-CG 3.23Å; C493-Q497 PolarHBondContact O-N 3.3Å; R494-Q497 WeakPolarHBondContact O-CB 3.3Å; R494-Q497 PolarHBondContact O-N 3.23Å; R494-Q497 VanDerWaalsContact O-N 3.11Å; Q497-T499 VanDerWaalsContact C-N 3.26Å; Q497-T499 PolarHBondContact O-N 3.17Å; Q497-L500 PolarHBondContact O-N 2.98Å; Q497-L500 VanDerWaalsContact O-N 3.14Å; Q497-E501 PolarHBondContact O-N 2.63Å
498D92.2Very high90.7Very high93 Ų9364.4 Ų64.450%0.49731%0.311SS..Hα-helixtrans-57.7-42.4179.5-59.9-21.1000111.1R494 M502R494-D498 PolarHBondContact O-N 3.17Å; R494-D498 VanDerWaalsContact O-N 3.11Å; D498-M502 WeakPolarHBondContact O-CB 3.46Å; D498-M502 VanDerWaalsContact O-CG 3.26Å; D498-M502 WeakPolarHBondContact O-CG 3.4Å; D498-M502 PolarHBondContact O-N 2.8Å
499T92.5Very high90.5Very high18 Ų1870.5 Ų70.511%0.1135%0.345CS..Hα-helixtrans-70-37.7-179.8-52.70000112.1V495 L496 Q497 M502 Q503 A516 L517V495-T499 WeakPolarHBondContact O-CB 3.38Å; V495-T499 PolarHBondContact O-N 3.14Å; V495-T499 PolarHBondContact O-OG1 2.76Å; L496-T499 PolarHBondContact O-N 3.24Å; Q497-T499 VanDerWaalsContact C-N 3.26Å; Q497-T499 PolarHBondContact O-N 3.17Å; T499-M502 PolarHBondContact O-N 3.18Å; T499-Q503 HydrophobicContact CG2-CB 4.46Å; T499-Q503 WeakPolarHBondContact O-CB 3.2Å; T499-Q503 PolarHBondContact O-N 2.95Å; T499-A516 HydrophobicContact CG2-CB 4.27Å; T499-L517 HydrophobicContact CG2-CD2 3.95Å
500L93Very high90.3Very high13 Ų1372.2 Ų72.27%0.06836%0.358CS..Hα-helixtrans-63.2-48.4176.8-171.165000109.8F152 E415 L418 L496 Q497 M502 C504 L517F152-L500 HydrophobicContact CE2-CD1 4.22Å; F152-L500 HydrophobicContact CZ-CD1 4.35Å; E415-L500 HydrophobicContact CG-CD1 4.36Å; L418-L500 HydrophobicContact CB-CD2 4.36Å; L418-L500 HydrophobicContact CD2-CD1 4.3Å; L418-L500 HydrophobicContact CD2-CD2 4.26Å; L418-L500 HydrophobicContact CG-CD2 4.24Å; L496-L500 WeakPolarHBondContact O-CB 3.19Å; L496-L500 PolarHBondContact O-N 2.82Å; Q497-L500 PolarHBondContact O-N 2.98Å; Q497-L500 VanDerWaalsContact O-N 3.14Å; L500-M502 VanDerWaalsContact C-N 3.33Å; L500-M502 PolarHBondContact O-N 2.93Å; L500-C504 HydrophobicContact CD1-CB 4.19Å; L500-C504 WeakPolarHBondContact O-CB 3.47Å; L500-C504 PolarHBondContact O-N 3.38Å; L500-C504 VanDerWaalsContact O-N 3.14Å; L500-L517 HydrophobicContact CB-CD2 4.19Å; L500-L517 HydrophobicContact CD1-CD1 4.39Å; L500-L517 HydrophobicContact CD1-CD2 4.46Å
501E89.9Confident90.1Very high163 Ų16375.2 Ų75.276%0.76237%0.37SS*.Hα-helixtrans-61.5-38.9178.1-69.3178.6-173.500112.9Q497Q497-E501 PolarHBondContact O-N 2.63Å
502M88.1Confident90.2Very high157 Ų15770.9 Ų70.977%0.77335%0.35SS*.Hα-helixtrans-85-32.1-175.6-68.7-176.973.400114.7D498 T499 L500D498-M502 WeakPolarHBondContact O-CB 3.46Å; D498-M502 VanDerWaalsContact O-CG 3.26Å; D498-M502 WeakPolarHBondContact O-CG 3.4Å; D498-M502 PolarHBondContact O-N 2.8Å; T499-M502 PolarHBondContact O-N 3.18Å; L500-M502 VanDerWaalsContact C-N 3.33Å; L500-M502 PolarHBondContact O-N 2.93Å
503Q85.4Confident90.2Very high84 Ų8470.8 Ų70.839%0.39335%0.349SS..Hα-helixtrans-132.517.8-164.8-59.1-172.6-3.500114.2T499 N505 G513 A516T499-Q503 HydrophobicContact CG2-CB 4.46Å; T499-Q503 WeakPolarHBondContact O-CB 3.2Å; T499-Q503 PolarHBondContact O-N 2.95Å; Q503-N505 VanDerWaalsContact C-N 3.33Å; Q503-G513 PolarHBondContact O-N 3.01Å; Q503-A516 HydrophobicContact CB-CB 3.72Å
504C83.6Confident90.1Very high6 Ų670.7 Ų70.74%0.04135%0.349CS..  trans-68.2-32.6174-168.30000113F152 E415 L500 W512F152-C504 WeakPolarHBondContact CB-SG 3.48Å; E415-C504 PolarHBondContact OE1-SG 3.26Å; E415-C504 VanDerWaalsContact OE1-SG 3.33Å; E415-C504 PolarHBondContact OE2-SG 2.66Å; L500-C504 HydrophobicContact CD1-CB 4.19Å; L500-C504 WeakPolarHBondContact O-CB 3.47Å; L500-C504 PolarHBondContact O-N 3.38Å; L500-C504 VanDerWaalsContact O-N 3.14Å; C504-W512 VanDerWaalsContact O-CE3 3.25Å
505N85.4Confident90.1Very high133 Ų13364.5 Ų64.571%0.71133%0.326SS*.SBendtrans-77.6146.7-176.4-71.2-48.3000112.9Q503 N507 W512Q503-N505 VanDerWaalsContact C-N 3.33Å; N505-N507 PolarHBondContact O-N 3.07Å; N505-W512 WeakPolarHBondContact O-CB 3.36Å
506K86.8Confident90.2Very high78 Ų7862.7 Ų62.734%0.33932%0.315SS..  trans-56.1124.6-179.9-173.9171.8-174.3172.10112C149 W512C149-K506 WeakPolarHBondContact O-CE 3.25Å; C149-K506 PolarHBondContact O-NZ 3.42Å; K506-W512 VanDerWaalsContact CA-CD2 3.45Å; K506-W512 HydrophobicContact CB-CD2 4.1Å; K506-W512 HydrophobicContact CB-CE3 4.16Å; K506-W512 HydrophobicContact CB-CH2 4Å; K506-W512 HydrophobicContact CB-CZ2 3.94Å; K506-W512 HydrophobicContact CB-CZ3 4.1Å; K506-W512 HydrophobicContact CD-CH2 4.5Å; K506-W512 HydrophobicContact CD-CZ2 4.02Å; K506-W512 HydrophobicContact CG-CD2 4.27Å; K506-W512 HydrophobicContact CG-CH2 4.26Å; K506-W512 HydrophobicContact CG-CZ2 3.7Å
507N84.1Confident90.1Very high67 Ų6762.4 Ų62.436%0.35831%0.314SS..  trans-127.2123.8172.3-170.2-23.4000108.8N505 N509 S510 W512N505-N507 PolarHBondContact O-N 3.07Å; N507-N509 VanDerWaalsContact C-N 3.3Å; N507-N509 PolarHBondContact OD1-N 2.8Å; N507-S510 VanDerWaalsContact CG-OG 3.31Å; N507-S510 PolarHBondContact ND2-OG 3.19Å; N507-S510 VanDerWaalsContact ND2-OG 3.08Å; N507-W512 HydrophobicContact CB-CB 4.31Å; N507-W512 VanDerWaalsContact O-CD1 3.27Å
508E81.7Confident90Very high167 Ų16761.4 Ų61.478%0.7831%0.31SS*.SBendtrans-74.7-23.3-179.3-62.6-172162.900112.6
509N85.6Confident89.8Confident159 Ų15961.1 Ų61.185%0.8531%0.309SS*.SBendtrans-97.8-9.6-172.3-64.8-39.4000113.8N507N507-N509 VanDerWaalsContact C-N 3.3Å; N507-N509 PolarHBondContact OD1-N 2.8Å
510S89.8Confident89.4Confident47 Ų4761.4 Ų61.433%0.32931%0.309SS..SBendtrans-144.4162.8-179.170.80000111.2M147 N507 W512M147-S510 WeakPolarHBondContact CE-O 3.4Å; N507-S510 VanDerWaalsContact CG-OG 3.31Å; N507-S510 PolarHBondContact ND2-OG 3.19Å; N507-S510 VanDerWaalsContact ND2-OG 3.08Å; S510-W512 PolarHBondContact O-N 3.49Å
511K92.4Very high88.8Confident77 Ų7764.9 Ų64.934%0.33533%0.328SS..  trans-59.5142.1167.9-64.7-170.9-158.3129.80109.2L515 D519K511-L515 HydrophobicContact CB-CB 3.9Å; K511-L515 HydrophobicContact CD-CB 4.16Å; K511-L515 HydrophobicContact CG-CB 4.24Å; K511-D519 HydrophobicContact CD-CB 4.05Å; K511-D519 VanDerWaalsContact CD-OD2 3.29Å; K511-D519 WeakPolarHBondContact CD-OD2 3.44Å; K511-D519 WeakPolarHBondContact CE-OD2 3.47Å; K511-D519 IonicContact NZ-OD1 3.2Å; K511-D519 PolarHBondContact NZ-OD1 3.29Å; K511-D519 IonicContact NZ-OD2 2.67Å; K511-D519 PolarHBondContact NZ-OD2 3.3Å
512W94.9Very high88.1Confident3 Ų362.5 Ų62.51%0.01132%0.32CS..  trans-142.7163.8-179.168.4-86.9000110.2C149 Q155 C504 N505 K506 N507 S510 L514 L515C149-W512 HydrophobicContact CB-CH2 4.45Å; C149-W512 HydrophobicContact CB-CZ2 4.4Å; C149-W512 VanDerWaalsContact O-CZ2 3.29Å; C149-W512 WeakPolarHBondContact O-CZ2 3.22Å; Q155-W512 HydrophobicContact CG-CH2 4.14Å; Q155-W512 HydrophobicContact CG-CZ2 4.36Å; Q155-W512 VanDerWaalsContact NE2-CE2 3.25Å; Q155-W512 PolarHBondContact NE2-O 3.34Å; Q155-W512 PolarHBondContact OE1-O 2.94Å; C504-W512 VanDerWaalsContact O-CE3 3.25Å; N505-W512 WeakPolarHBondContact O-CB 3.36Å; K506-W512 VanDerWaalsContact CA-CD2 3.45Å; K506-W512 HydrophobicContact CB-CD2 4.1Å; K506-W512 HydrophobicContact CB-CE3 4.16Å; K506-W512 HydrophobicContact CB-CH2 4Å; K506-W512 HydrophobicContact CB-CZ2 3.94Å; K506-W512 HydrophobicContact CB-CZ3 4.1Å; K506-W512 HydrophobicContact CD-CH2 4.5Å; K506-W512 HydrophobicContact CD-CZ2 4.02Å; K506-W512 HydrophobicContact CG-CD2 4.27Å; K506-W512 HydrophobicContact CG-CH2 4.26Å; K506-W512 HydrophobicContact CG-CZ2 3.7Å; N507-W512 HydrophobicContact CB-CB 4.31Å; N507-W512 VanDerWaalsContact O-CD1 3.27Å; S510-W512 PolarHBondContact O-N 3.49Å; W512-L514 PolarHBondContact O-N 3.46Å; W512-L515 WeakPolarHBondContact O-CB 3.46Å; W512-L515 PolarHBondContact O-N 3.14Å
513G94.8Very high87.4Confident1 Ų158.6 Ų58.61%0.0131%0.308CS..THydrogen-bonded Turntrans58-131.2-179.700000113Q503 L515 A516 L517Q503-G513 PolarHBondContact O-N 3.01Å; G513-L515 PolarHBondContact O-N 3.1Å; G513-L515 VanDerWaalsContact O-N 3.13Å; G513-A516 WeakPolarHBondContact O-CB 3.49Å; G513-A516 PolarHBondContact O-N 2.91Å; G513-L517 WeakPolarHBondContact O-CG 3.5Å; G513-L517 PolarHBondContact O-N 3.46Å; G513-L517 VanDerWaalsContact O-N 3.1Å
514L94.8Very high86.9Confident0 Ų056.1 Ų56.10%030%0.298CS..THydrogen-bonded Turntrans-55.6-32.1179.8-172.260.3000113.1L146 F152 Q155 F159 L339 Y342 L343 W512 T518L146-L514 HydrophobicContact CD1-CD2 4.26Å; F152-L514 HydrophobicContact CE2-CB 4.48Å; Q155-L514 HydrophobicContact CB-CB 4.37Å; F159-L514 HydrophobicContact CB-CD2 4.06Å; F159-L514 HydrophobicContact CG-CD2 4.13Å; L339-L514 HydrophobicContact CD1-CD1 3.36Å; Y342-L514 HydrophobicContact CD1-CD1 3.37Å; Y342-L514 HydrophobicContact CD1-CD2 3.98Å; Y342-L514 HydrophobicContact CD1-CG 3.73Å; Y342-L514 HydrophobicContact CE1-CD1 3.49Å; Y342-L514 VanDerWaalsContact CE1-CD1 3.49Å; Y342-L514 HydrophobicContact CE1-CD2 3.93Å; Y342-L514 HydrophobicContact CE1-CG 3.42Å; Y342-L514 VanDerWaalsContact CE1-CG 3.42Å; Y342-L514 HydrophobicContact CG-CD1 4.43Å; Y342-L514 HydrophobicContact CG-CD2 4.48Å; L343-L514 HydrophobicContact CD2-CD1 4.1Å; W512-L514 PolarHBondContact O-N 3.46Å; L514-T518 PolarHBondContact O-OG1 2.91Å
515L94.8Very high86.6Confident5 Ų557.1 Ų57.13%0.02630%0.302CS..THydrogen-bonded Turntrans-72.5-43.1178-65.9174000111.3T143 L146 M147 K511 W512 G513 T518 D519T143-L515 HydrophobicContact CG2-CD1 3.96Å; T143-L515 HydrophobicContact CG2-CD2 4.29Å; L146-L515 HydrophobicContact CB-CD1 3.91Å; L146-L515 HydrophobicContact CB-CD2 4.34Å; L146-L515 HydrophobicContact CB-CG 4.08Å; L146-L515 HydrophobicContact CD1-CD2 3.96Å; L146-L515 HydrophobicContact CD1-CG 4.36Å; M147-L515 HydrophobicContact CG-CD1 3.57Å; M147-L515 HydrophobicContact SD-CD1 3.55Å; M147-L515 VanDerWaalsContact SD-CD1 3.55Å; K511-L515 HydrophobicContact CB-CB 3.9Å; K511-L515 HydrophobicContact CD-CB 4.16Å; K511-L515 HydrophobicContact CG-CB 4.24Å; W512-L515 WeakPolarHBondContact O-CB 3.46Å; W512-L515 PolarHBondContact O-N 3.14Å; G513-L515 PolarHBondContact O-N 3.1Å; G513-L515 VanDerWaalsContact O-N 3.13Å; L515-T518 PolarHBondContact O-N 3.42Å; L515-T518 PolarHBondContact O-OG1 2.92Å; L515-D519 PolarHBondContact O-N 2.65Å; L515-D519 VanDerWaalsContact O-N 3.17Å
516A93.7Very high86Confident3 Ų353.8 Ų53.83%0.02529%0.289CS..G310 helixtrans-60.8-45.1176.200000112.1T499 Q503 G513 T518 D519T499-A516 HydrophobicContact CG2-CB 4.27Å; Q503-A516 HydrophobicContact CB-CB 3.72Å; G513-A516 WeakPolarHBondContact O-CB 3.49Å; G513-A516 PolarHBondContact O-N 2.91Å; A516-T518 PolarHBondContact O-N 3.35Å; A516-D519 PolarHBondContact O-N 3.39Å
517L94.3Very high85.4Confident1 Ų156.1 Ų56.11%0.00530%0.3CS..G310 helixtrans-56.9-18177.6-66.9177.6000114.2F152 L343 L418 L496 T499 L500 G513F152-L517 HydrophobicContact CE2-CD1 3.72Å; F152-L517 HydrophobicContact CZ-CD1 4.05Å; L343-L517 HydrophobicContact CD1-CD1 4.47Å; L343-L517 HydrophobicContact CD2-CB 3.8Å; L343-L517 HydrophobicContact CD2-CD1 4.13Å; L418-L517 HydrophobicContact CD2-CD1 3.65Å; L496-L517 HydrophobicContact CD2-CB 3.96Å; L496-L517 HydrophobicContact CD2-CD2 3.88Å; L496-L517 HydrophobicContact CD2-CG 4.43Å; L496-L517 WeakPolarHBondContact CD2-O 3.14Å; T499-L517 HydrophobicContact CG2-CD2 3.95Å; L500-L517 HydrophobicContact CB-CD2 4.19Å; L500-L517 HydrophobicContact CD1-CD1 4.39Å; L500-L517 HydrophobicContact CD1-CD2 4.46Å; G513-L517 WeakPolarHBondContact O-CG 3.5Å; G513-L517 PolarHBondContact O-N 3.46Å; G513-L517 VanDerWaalsContact O-N 3.1Å
518T91.5Very high85Confident15 Ų1553.6 Ų53.69%0.09229%0.285CS..G310 helixtrans-115-0.7-179.9600000113.7Y342 L343 K346 L514 L515 A516 L520 K525Y342-T518 HydrophobicContact CD1-CG2 4.18Å; Y342-T518 HydrophobicContact CE1-CG2 3.45Å; Y342-T518 VanDerWaalsContact CE1-CG2 3.45Å; Y342-T518 PolarHBondContact OH-OG1 3.4Å; L343-T518 HydrophobicContact CD2-CG2 3.78Å; K346-T518 HydrophobicContact CB-CG2 3.44Å; K346-T518 VanDerWaalsContact CB-CG2 3.44Å; K346-T518 HydrophobicContact CG-CG2 3.9Å; L514-T518 PolarHBondContact O-OG1 2.91Å; L515-T518 PolarHBondContact O-N 3.42Å; L515-T518 PolarHBondContact O-OG1 2.92Å; A516-T518 PolarHBondContact O-N 3.35Å; T518-L520 PolarHBondContact O-N 2.91Å; T518-K525 WeakPolarHBondContact O-CE 3.49Å; T518-K525 PolarHBondContact O-NZ 3.1Å
519D89.6Confident84.3Confident86 Ų8648.5 Ų48.546%0.4627%0.266SS..  trans-90.236.1179.6-153.430.8000113.4K511 L515 A516K511-D519 HydrophobicContact CD-CB 4.05Å; K511-D519 VanDerWaalsContact CD-OD2 3.29Å; K511-D519 WeakPolarHBondContact CD-OD2 3.44Å; K511-D519 WeakPolarHBondContact CE-OD2 3.47Å; K511-D519 IonicContact NZ-OD1 3.2Å; K511-D519 PolarHBondContact NZ-OD1 3.29Å; K511-D519 IonicContact NZ-OD2 2.67Å; K511-D519 PolarHBondContact NZ-OD2 3.3Å; L515-D519 PolarHBondContact O-N 2.65Å; L515-D519 VanDerWaalsContact O-N 3.17Å; A516-D519 PolarHBondContact O-N 3.39Å
520L83.8Confident83.1Confident24 Ų2441.7 Ų41.713%0.12623%0.229CC..  trans-75.5143.8172.8-55.1177.3000110.1L347 V495 T518 T524 K525 F528L347-L520 HydrophobicContact CD2-CD1 3.69Å; L347-L520 HydrophobicContact CD2-CG 4.45Å; V495-L520 HydrophobicContact CG1-CD1 3.75Å; V495-L520 HydrophobicContact CG1-CD2 3.75Å; V495-L520 HydrophobicContact CG1-CG 4.42Å; T518-L520 PolarHBondContact O-N 2.91Å; L520-T524 HydrophobicContact CB-CG2 4.21Å; L520-T524 HydrophobicContact CD1-CG2 4.18Å; L520-K525 HydrophobicContact CB-CG 4.18Å; L520-K525 WeakPolarHBondContact O-CD 3.29Å; L520-K525 VanDerWaalsContact O-CE 3.23Å; L520-K525 WeakPolarHBondContact O-CE 3.29Å; L520-K525 PolarHBondContact O-NZ 3.06Å; L520-F528 HydrophobicContact CD1-CE2 3.85Å; L520-F528 HydrophobicContact CD1-CZ 4.3Å
521D80.4Confident81.3Confident87 Ų8744.1 Ų44.147%0.46524%0.242SC..  trans-63.2157176.668.989.6000111.7C523 T524 K525D521-C523 PolarHBondContact O-N 3.38Å; D521-C523 VanDerWaalsContact OD1-CA 3.3Å; D521-C523 WeakPolarHBondContact OD1-CA 3.26Å; D521-C523 WeakPolarHBondContact OD1-CB 3.44Å; D521-C523 PolarHBondContact OD1-N 3.33Å; D521-T524 PolarHBondContact O-N 2.99Å; D521-T524 PolarHBondContact OD1-N 3.06Å; D521-T524 PolarHBondContact OD1-OG1 3.32Å; D521-T524 VanDerWaalsContact OD2-CB 3.28Å; D521-T524 WeakPolarHBondContact OD2-CB 3.38Å; D521-T524 PolarHBondContact OD2-OG1 3.37Å; D521-K525 PolarHBondContact O-N 3.46Å
522D75.8Confident79.3Confident112 Ų11243.4 Ų43.460%0.59925%0.246SC*.Hα-helixtrans-65.6-23.6-176.8-80.4-31.6000113.1R348 S526R348-D522 IonicContact NH2-OD1 2.65Å; D522-S526 WeakPolarHBondContact O-CB 3.42Å; D522-S526 PolarHBondContact O-N 3.13Å; D522-S526 PolarHBondContact O-OG 3.35Å
523C71.4Confident77.2Confident75 Ų7544.4 Ų44.451%0.50725%0.252SS..Hα-helixtrans-72.1-40.8174.4-179.10000110.8D521 S526 K527D521-C523 PolarHBondContact O-N 3.38Å; D521-C523 VanDerWaalsContact OD1-CA 3.3Å; D521-C523 WeakPolarHBondContact OD1-CA 3.26Å; D521-C523 WeakPolarHBondContact OD1-CB 3.44Å; D521-C523 PolarHBondContact OD1-N 3.33Å; C523-S526 PolarHBondContact O-N 2.84Å; C523-S526 PolarHBondContact O-OG 3.26Å; C523-K527 WeakPolarHBondContact O-CG 3.1Å; C523-K527 PolarHBondContact O-N 3.11Å
524T76.8Confident74.6Confident32 Ų3252.7 Ų52.720%0.19628%0.284CS..Hα-helixtrans-64.5-44.9171.8-62.30000110.8L520 D521 S526 K527 F528L520-T524 HydrophobicContact CB-CG2 4.21Å; L520-T524 HydrophobicContact CD1-CG2 4.18Å; D521-T524 PolarHBondContact O-N 2.99Å; D521-T524 PolarHBondContact OD1-N 3.06Å; D521-T524 PolarHBondContact OD1-OG1 3.32Å; D521-T524 VanDerWaalsContact OD2-CB 3.28Å; D521-T524 WeakPolarHBondContact OD2-CB 3.38Å; D521-T524 PolarHBondContact OD2-OG1 3.37Å; T524-S526 PolarHBondContact O-N 3.42Å; T524-K527 WeakPolarHBondContact O-CB 3.37Å; T524-K527 PolarHBondContact O-N 3.14Å; T524-F528 HydrophobicContact CG2-CE1 4.4Å; T524-F528 HydrophobicContact CG2-CE2 3.95Å; T524-F528 HydrophobicContact CG2-CZ 3.57Å
525K76.6Confident71.8Confident27 Ų2760 Ų6012%0.11731%0.313CS..Hα-helixtrans-66.5-33.9177-73.6171.3173.1145.40113.8T518 L520 D521 K527 F528T518-K525 WeakPolarHBondContact O-CE 3.49Å; T518-K525 PolarHBondContact O-NZ 3.1Å; L520-K525 HydrophobicContact CB-CG 4.18Å; L520-K525 WeakPolarHBondContact O-CD 3.29Å; L520-K525 VanDerWaalsContact O-CE 3.23Å; L520-K525 WeakPolarHBondContact O-CE 3.29Å; L520-K525 PolarHBondContact O-NZ 3.06Å; D521-K525 PolarHBondContact O-N 3.46Å; K525-K527 VanDerWaalsContact C-N 3.32Å; K525-F528 WeakPolarHBondContact O-CB 3.4Å; K525-F528 PolarHBondContact O-N 3.28Å
526S73.2Confident69Low64 Ų6466.6 Ų66.645%0.44834%0.344SS..Hα-helixtrans-69.7-31.7-18067.70000112.1D522 C523 T524 F528 V529D522-S526 WeakPolarHBondContact O-CB 3.42Å; D522-S526 PolarHBondContact O-N 3.13Å; D522-S526 PolarHBondContact O-OG 3.35Å; C523-S526 PolarHBondContact O-N 2.84Å; C523-S526 PolarHBondContact O-OG 3.26Å; T524-S526 PolarHBondContact O-N 3.42Å; S526-F528 PolarHBondContact O-N 3.11Å; S526-V529 PolarHBondContact O-N 2.87Å; S526-V529 VanDerWaalsContact O-N 3.14Å
527K73.8Confident66Low127 Ų12770.4 Ų70.455%0.55236%0.363SS*.Hα-helixtrans-60.6-22.1171.5-68.1168.7-174.5176.10113.1C523 T524 K525C523-K527 WeakPolarHBondContact O-CG 3.1Å; C523-K527 PolarHBondContact O-N 3.11Å; T524-K527 WeakPolarHBondContact O-CB 3.37Å; T524-K527 PolarHBondContact O-N 3.14Å; K525-K527 VanDerWaalsContact C-N 3.32Å
528F75.2Confident63.1Low14 Ų1474.1 Ų74.16%0.06139%0.386CS..THydrogen-bonded Turntrans-84.1-13.9179.4-55.2-27.9000113.7I492 V495 L520 T524 K525 S526I492-F528 HydrophobicContact CD1-CB 3.87Å; I492-F528 HydrophobicContact CD1-CD1 4.13Å; I492-F528 HydrophobicContact CD1-CD2 4.15Å; I492-F528 HydrophobicContact CD1-CG 3.8Å; I492-F528 HydrophobicContact CG1-CB 4.1Å; I492-F528 HydrophobicContact CG1-CD1 3.41Å; I492-F528 VanDerWaalsContact CG1-CD1 3.41Å; I492-F528 HydrophobicContact CG1-CD2 3.71Å; I492-F528 HydrophobicContact CG1-CE1 3.63Å; I492-F528 HydrophobicContact CG1-CE2 3.92Å; I492-F528 HydrophobicContact CG1-CG 3.46Å; I492-F528 VanDerWaalsContact CG1-CG 3.46Å; I492-F528 HydrophobicContact CG1-CZ 3.88Å; V495-F528 HydrophobicContact CG2-CZ 4.48Å; L520-F528 HydrophobicContact CD1-CE2 3.85Å; L520-F528 HydrophobicContact CD1-CZ 4.3Å; T524-F528 HydrophobicContact CG2-CE1 4.4Å; T524-F528 HydrophobicContact CG2-CE2 3.95Å; T524-F528 HydrophobicContact CG2-CZ 3.57Å; K525-F528 WeakPolarHBondContact O-CB 3.4Å; K525-F528 PolarHBondContact O-N 3.28Å; S526-F528 PolarHBondContact O-N 3.11Å
529V67.5Low60.2Low60 Ų6079.7 Ų79.736%0.36442%0.415SS..SBendtrans-87.9135.6-178.7-176.20000110.1R348 S526 V531R348-V529 HydrophobicContact CB-CG2 4.42Å; S526-V529 PolarHBondContact O-N 2.87Å; S526-V529 VanDerWaalsContact O-N 3.14Å; V529-V531 PolarHBondContact O-N 2.74Å
530N60Low57.4Low16 Ų1683.9 Ų83.99%0.08643%0.426CS..  trans-77119172-154.8-20.8000111.1D484 H485 K488 S532 D533D484-N530 VanDerWaalsContact OD2-CG 3.22Å; D484-N530 PolarHBondContact OD2-ND2 3.02Å; D484-N530 PolarHBondContact OD2-OD1 3.19Å; H485-N530 PolarHBondContact CD2-ND2 3.48Å; H485-N530 PolarHBondContact NE2-ND2 2.79Å; K488-N530 PolarHBondContact NZ-OD1 3.43Å; N530-S532 PolarHBondContact ND2-OG 2.65Å; N530-S532 PolarHBondContact O-N 3.49Å; N530-S532 PolarHBondContact OD1-N 3.19Å; N530-S532 PolarHBondContact OD1-OG 3.33Å; N530-D533 HydrophobicContact CB-CB 4.29Å; N530-D533 WeakPolarHBondContact CB-OD2 3.4Å; N530-D533 PolarHBondContact O-N 3.26Å
531V51.4Low54.9Low97 Ų9791.1 Ų91.159%0.58846%0.456SS*.SBendtrans-64.9-31.9176.6-179.40000110.7V529 D533 Y534 Y535V529-V531 PolarHBondContact O-N 2.74Å; V531-D533 VanDerWaalsContact C-N 3.28Å; V531-D533 PolarHBondContact O-N 3.48Å; V531-Y534 VanDerWaalsContact O-CB 3.29Å; V531-Y534 WeakPolarHBondContact O-CB 3.36Å; V531-Y534 PolarHBondContact O-N 3.03Å; V531-Y534 VanDerWaalsContact O-N 3.07Å; V531-Y535 HydrophobicContact CG1-CD2 4.13Å; V531-Y535 HydrophobicContact CG1-CE2 3.72Å; V531-Y535 WeakPolarHBondContact O-CD2 3.26Å
532S51.1Low52.4Low62 Ų6295.3 Ų95.343%0.43447%0.473SS..Hα-helixtrans-65.6-29.6178.863.80000113.3N530 Y534 Y535 Q536N530-S532 PolarHBondContact ND2-OG 2.65Å; N530-S532 PolarHBondContact O-N 3.49Å; N530-S532 PolarHBondContact OD1-N 3.19Å; N530-S532 PolarHBondContact OD1-OG 3.33Å; S532-Y534 PolarHBondContact O-N 2.99Å; S532-Y535 PolarHBondContact O-N 3.36Å; S532-Q536 PolarHBondContact O-N 3.14Å
533D50Low50.2Low25 Ų2597 Ų9713%0.13449%0.494CS..Hα-helixtrans-73-13.4174.7-74-30.8000113.3H485 N530 V531H485-D533 IonicContact NE2-OD2 3.23Å; N530-D533 HydrophobicContact CB-CB 4.29Å; N530-D533 WeakPolarHBondContact CB-OD2 3.4Å; N530-D533 PolarHBondContact O-N 3.26Å; V531-D533 VanDerWaalsContact C-N 3.28Å; V531-D533 PolarHBondContact O-N 3.48Å
534Y40.3Very low49.2Very low174 Ų17498.1 Ų98.168%0.68249%0.493SS*.Hα-helixtrans-82.8-33.4176.5-158.2-95.1000111.7V531 S532V531-Y534 VanDerWaalsContact O-CB 3.29Å; V531-Y534 WeakPolarHBondContact O-CB 3.36Å; V531-Y534 PolarHBondContact O-N 3.03Å; V531-Y534 VanDerWaalsContact O-N 3.07Å; S532-Y534 PolarHBondContact O-N 2.99Å
535Y37.2Very low47.7Very low153 Ų153101.6 Ų101.660%0.651%0.508SS*.Hα-helixtrans-87.1-28.4-175.4-73.5-77.2000114.1V531 S532 L537 V538V531-Y535 HydrophobicContact CG1-CD2 4.13Å; V531-Y535 HydrophobicContact CG1-CE2 3.72Å; V531-Y535 WeakPolarHBondContact O-CD2 3.26Å; S532-Y535 PolarHBondContact O-N 3.36Å; Y535-L537 PolarHBondContact O-N 2.88Å; Y535-V538 PolarHBondContact O-N 3.47Å; Y535-V538 VanDerWaalsContact O-N 3.07Å
536Q35.3Very low46.1Very low145 Ų145105.7 Ų105.768%0.67853%0.53SS*.THydrogen-bonded Turntrans-69.2-2.5176.9-72.4-168-7.400114.8S532S532-Q536 PolarHBondContact O-N 3.14Å
537L31.5Very low44.5Very low82 Ų82108.2 Ų108.243%0.42954%0.535SS..THydrogen-bonded Turntrans-98.6-21.4170.2-84.4158.5000113.2Y535 D539 Y540 F541Y535-L537 PolarHBondContact O-N 2.88Å; L537-D539 VanDerWaalsContact C-N 3.33Å; L537-Y540 PolarHBondContact O-N 3.07Å; L537-F541 HydrophobicContact CD2-CE2 4.32Å; L537-F541 WeakPolarHBondContact O-CD2 3.48Å; L537-F541 PolarHBondContact O-N 2.94Å
538V33.6Very low42.7Very low79 Ų79107 Ų10748%0.47953%0.534SS..THydrogen-bonded Turntrans-71.1-33.2-179.8-175.90000110.9Y535 Y540Y535-V538 PolarHBondContact O-N 3.47Å; Y535-V538 VanDerWaalsContact O-N 3.07Å; V538-Y540 VanDerWaalsContact C-N 3.28Å; V538-Y540 PolarHBondContact O-N 3.08Å
539D30.6Very low40.6Very low132 Ų132113.2 Ų113.271%0.70657%0.565SS**THydrogen-bonded Turntrans-75.2-16174.3-71.2-20.9000113.4L537L537-D539 VanDerWaalsContact C-N 3.33Å
540Y30.9Very low38.6Very low175 Ų175117 Ų11769%0.68658%0.58SS**THydrogen-bonded Turntrans-90.3-14.8179.7-134.1-88.9000113.6L537 V538L537-Y540 PolarHBondContact O-N 3.07Å; V538-Y540 VanDerWaalsContact C-N 3.28Å; V538-Y540 PolarHBondContact O-N 3.08Å
541F30.3Very low37Very low175 Ų175124.8 Ų124.877%0.76862%0.618SS**SBendtrans-94.74.1174.6-78.9-72000113.6L537L537-F541 HydrophobicContact CD2-CE2 4.32Å; L537-F541 WeakPolarHBondContact O-CD2 3.48Å; L537-F541 PolarHBondContact O-N 2.94Å
542Q28.5Very low35.8Very low176 Ų176127.1 Ų127.182%0.82262%0.62SS**  trans-112.315.4173.4-69.9-165-1500114.6
543S30.3Very low34.4Very low147 Ų147133 Ų133100%1.02864%0.637SS**  trans-127.10166.766.80000110.6

Retrieved 543 of 543 residues in 227 ms (Link to these results)

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