A0A087XAF6_POEFO Loading...

Glycerophosphocholine phosphodiesterase GPCPD1

May be involved in the negative regulation of skeletal muscle differentiation, independently of its glycerophosphocholine phosphodiesterase activity.

AlphaFold DB , UniProt , Accession A0A087XAF6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 673 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
1M67.7Low93.1Very high215 Ų21561.7 Ų61.7100%1.05930%0.302SS*.  0147.80-71.5175.9177.400108.4
2Q88.9Confident93.3Very high146 Ų14657.4 Ų57.468%0.68229%0.285SS*.  trans-70.7138.4171.6-73.1-175.7-0.200109.3K58Q2-K58 HydrophobicContact CB-CB 4.21Å; Q2-K58 HydrophobicContact CB-CD 4.27Å; Q2-K58 WeakPolarHBondContact O-CB 3.42Å; Q2-K58 PolarHBondContact O-N 3.47Å
3T93.3Very high93.2Very high82 Ų8263.7 Ų63.750%0.50331%0.313SS..EExtended strand (participates in β ladder)trans-114.3154.5178.155.40000110.9V56T3-V56 CarbonylContact C-O 3.57Å; T3-V56 WeakPolarHBondContact CA-O 3.34Å; T3-V56 WeakPolarHBondContact CB-O 3.42Å
4S94.8Very high93.1Very high0 Ų062.4 Ų62.40%031%0.311CS..EExtended strand (participates in β ladder)trans-114.3138.5170.1-70.70000108.9V56 K58 V101S4-V56 PolarHBondContact N-O 2.95Å; S4-V56 PolarHBondContact O-N 3.45Å; S4-K58 WeakPolarHBondContact OG-CG 3.33Å; S4-V101 VanDerWaalsContact CB-O 3.26Å; S4-V101 WeakPolarHBondContact CB-O 3.32Å; S4-V101 PolarHBondContact OG-O 3.25Å
5Q97.3Very high92.7Very high69 Ų6963.1 Ų63.132%0.32232%0.32SS..EExtended strand (participates in β ladder)trans-80.3122.5168.8-63.9-63.1-22.300108.5T53 I54 S55 A102 Q103 Q104Q5-T53 HydrophobicContact CB-CG2 4.26Å; Q5-I54 WeakPolarHBondContact CA-O 3Å; Q5-S55 VanDerWaalsContact CD-OG 3.25Å; Q5-S55 PolarHBondContact NE2-OG 3.34Å; Q5-S55 PolarHBondContact OE1-OG 2.59Å; Q5-S55 VanDerWaalsContact OE1-OG 3.05Å; Q5-A102 PolarHBondContact N-O 2.94Å; Q5-Q103 HydrophobicContact CB-CG 4.16Å; Q5-Q103 CarbonylContact O-C 3.6Å; Q5-Q103 VanDerWaalsContact O-CA 3.29Å; Q5-Q103 WeakPolarHBondContact O-CA 3.37Å; Q5-Q104 PolarHBondContact O-N 3.29Å
6V97.6Very high92.3Very high0 Ų066.8 Ų66.80%035%0.35CS..EExtended strand (participates in β ladder)trans-116.4119.3177.1179.40000108.3L8 T53 I54 V56 M97 P99 Q104 I106V6-L8 HydrophobicContact CG1-CD2 3.7Å; V6-L8 HydrophobicContact CG1-CG 4.14Å; V6-T53 CarbonylContact O-C 3.55Å; V6-T53 WeakPolarHBondContact O-CA 3.37Å; V6-I54 HydrophobicContact CB-CG1 4.22Å; V6-I54 PolarHBondContact N-O 3.34Å; V6-I54 WeakPolarHBondContact O-CG1 3.44Å; V6-I54 PolarHBondContact O-N 2.85Å; V6-V56 HydrophobicContact CB-CG2 4.34Å; V6-V56 HydrophobicContact CG2-CG2 3.51Å; V6-M97 HydrophobicContact CB-SD 4.46Å; V6-M97 HydrophobicContact CG1-SD 4.06Å; V6-M97 HydrophobicContact CG2-SD 4.31Å; V6-P99 HydrophobicContact CG2-CB 3.82Å; V6-P99 HydrophobicContact CG2-CG 3.84Å; V6-Q104 CarbonylContact C-O 3.6Å; V6-Q104 VanDerWaalsContact CA-O 3.3Å; V6-Q104 WeakPolarHBondContact CA-O 3.34Å; V6-Q104 HydrophobicContact CG2-CB 4.46Å; V6-I106 HydrophobicContact CG1-CD1 3.71Å; V6-I106 HydrophobicContact CG1-CG1 4.04Å
7N97.3Very high91.9Very high43 Ų4364.5 Ų64.523%0.2335%0.346CS..EExtended strand (participates in β ladder)trans-91.2109.9169.9-174.620.5000108.7V52 Q104 N105 I106N7-V52 CarbonylContact C-O 3.49Å; N7-V52 WeakPolarHBondContact CA-O 3.43Å; N7-V52 PolarHBondContact OD1-O 2.63Å; N7-Q104 PolarHBondContact N-O 3.24Å; N7-N105 VanDerWaalsContact CB-OD1 3.32Å; N7-N105 WeakPolarHBondContact CB-OD1 3.47Å; N7-N105 WeakPolarHBondContact O-CA 3.26Å; N7-I106 PolarHBondContact O-N 3.12Å
8L97.8Very high91.9Very high0 Ų061.5 Ų61.50%033%0.33CS..EExtended strand (participates in β ladder)trans-91.1134.4175.5-64.3-179.7000109V6 V22 A51 V52 I54 Y64 I106V6-L8 HydrophobicContact CG1-CD2 3.7Å; V6-L8 HydrophobicContact CG1-CG 4.14Å; L8-V22 HydrophobicContact CD1-CG1 4.2Å; L8-V22 HydrophobicContact CD1-CG2 4.02Å; L8-A51 CarbonylContact O-C 3.52Å; L8-A51 WeakPolarHBondContact O-CA 3.38Å; L8-A51 WeakPolarHBondContact O-CB 3.38Å; L8-V52 HydrophobicContact CB-CG1 4.28Å; L8-V52 PolarHBondContact N-O 3.49Å; L8-V52 PolarHBondContact O-N 3.33Å; L8-I54 HydrophobicContact CD1-CD1 3.66Å; L8-I54 HydrophobicContact CD1-CG1 4.4Å; L8-I54 HydrophobicContact CG-CD1 4.26Å; L8-Y64 HydrophobicContact CD1-CE2 4.34Å; L8-Y64 HydrophobicContact CD2-CE2 4.35Å; L8-I106 CarbonylContact C-O 3.48Å; L8-I106 HydrophobicContact CD2-CB 3.91Å; L8-I106 HydrophobicContact CD2-CD1 4.05Å; L8-I106 HydrophobicContact CD2-CG1 4.39Å; L8-I106 HydrophobicContact CD2-CG2 4.35Å
9T97.1Very high92Very high24 Ų2460.1 Ų60.115%0.14732%0.323CS..EExtended strand (participates in β ladder)trans-130.3137.2175-56.30000109.9T49 W50 I106 D108T9-T49 HydrophobicContact CG2-CG2 3.61Å; T9-W50 CarbonylContact C-O 3.54Å; T9-W50 VanDerWaalsContact CA-O 3.28Å; T9-W50 WeakPolarHBondContact CA-O 3.29Å; T9-I106 PolarHBondContact N-O 2.87Å; T9-D108 PolarHBondContact O-N 3.43Å
10I97.1Very high92.3Very high0 Ų057.1 Ų57.10%031%0.307CS..EExtended strand (participates in β ladder)trans-147.4150.5178.2-167162.5000111I20 L40 W50 Y66 D108 F111I10-I20 HydrophobicContact CG2-CD1 4.28Å; I10-I20 HydrophobicContact CG2-CG2 4.03Å; I10-L40 HydrophobicContact CG2-CD2 3.55Å; I10-W50 HydrophobicContact CG2-CB 4.19Å; I10-W50 PolarHBondContact N-O 3.04Å; I10-W50 PolarHBondContact O-N 3.1Å; I10-Y66 HydrophobicContact CB-CE1 4.4Å; I10-Y66 HydrophobicContact CD1-CD1 4.1Å; I10-Y66 HydrophobicContact CD1-CD2 3.34Å; I10-Y66 HydrophobicContact CD1-CE1 4.28Å; I10-Y66 HydrophobicContact CD1-CE2 3.56Å; I10-Y66 HydrophobicContact CD1-CG 3.62Å; I10-Y66 HydrophobicContact CG2-CD1 4.18Å; I10-Y66 HydrophobicContact CG2-CE1 3.99Å; I10-D108 HydrophobicContact CB-CB 4.48Å; I10-D108 HydrophobicContact CD1-CB 4.31Å; I10-D108 HydrophobicContact CG1-CB 4.46Å; I10-F111 HydrophobicContact CD1-CB 4.24Å
11R95.8Very high92.5Very high100 Ų10054.4 Ų54.438%0.37729%0.293SS..EExtended strand (participates in β ladder)trans-101136.1175.8-65.7173.7-69.3-80.56.6111.5H48 D107 G109 E110 F111R11-H48 CarbonylContact C-O 3.55Å; R11-H48 WeakPolarHBondContact CA-O 3.33Å; R11-D107 IonicContact CZ-OD1 3.16Å; R11-D107 IonicContact NH1-OD1 2.74Å; R11-D107 PolarHBondContact NH1-OD1 3.18Å; R11-D107 IonicContact NH1-OD2 3.72Å; R11-D107 PolarHBondContact NH1-OD2 3.34Å; R11-D107 IonicContact NH2-OD1 3.16Å; R11-G109 WeakPolarHBondContact CB-O 3.3Å; R11-G109 PolarHBondContact N-O 3.38Å; R11-G109 VanDerWaalsContact NH2-CA 3.33Å; R11-E110 CarbonylContact O-C 3.55Å; R11-E110 WeakPolarHBondContact O-CA 3.06Å; R11-F111 PolarHBondContact O-N 3.41Å
12G94.7Very high94Very high10 Ų1044.1 Ų44.110%0.10324%0.242CC..  trans-178.5144.2175.500000113.2H48 W50G12-H48 PolarHBondContact N-O 2.56Å; G12-W50 PolarHBondContact O-NE1 2.78Å
13E92.6Very high94.4Very high139 Ų13937.2 Ų37.265%0.6521%0.21SC*.  trans-80.8142.8172.8-62.4-178.4166.200111K68E13-K68 WeakPolarHBondContact O-CE 3.05Å; E13-K68 PolarHBondContact O-NZ 3.4Å
14T91.4Very high94.6Very high46 Ų4633.3 Ų33.328%0.28219%0.186SC..  trans-129.5156.4172.466.50000110.5E18 I20 W50 K68T14-E18 VanDerWaalsContact CA-OE2 3.31Å; T14-E18 WeakPolarHBondContact CA-OE2 3.35Å; T14-E18 VanDerWaalsContact CB-O 3.24Å; T14-E18 WeakPolarHBondContact CB-O 3.37Å; T14-E18 WeakPolarHBondContact CB-OE2 3.42Å; T14-E18 HydrophobicContact CG2-CG 4.43Å; T14-E18 PolarHBondContact OG1-O 3.02Å; T14-I20 HydrophobicContact CG2-CG1 3.83Å; T14-W50 HydrophobicContact CG2-CH2 4.24Å; T14-W50 HydrophobicContact CG2-CZ2 3.59Å; T14-W50 WeakPolarHBondContact OG1-CZ2 3.25Å; T14-K68 HydrophobicContact CG2-CD 4.49Å
15T88Confident94.8Very high73 Ų7335.3 Ų35.345%0.44820%0.2SC..  trans-77.8162.5168.556.90000110.9G17 E18T15-G17 PolarHBondContact O-N 2.8Å; T15-E18 PolarHBondContact N-OE2 3.2Å; T15-E18 WeakPolarHBondContact O-CB 3.46Å; T15-E18 PolarHBondContact O-N 2.82Å; T15-E18 WeakPolarHBondContact OG1-CB 3.31Å
16P85.8Confident94.7Very high122 Ų12232.7 Ų32.779%0.79219%0.189SC*.THydrogen-bonded Turntrans-50.6131.3174.3-27.135.7000112.2E18P16-E18 PolarHBondContact O-N 3.33Å
17G85.4Confident94.6Very high28 Ų2839.2 Ų39.229%0.28922%0.224SC..THydrogen-bonded Turntrans79.7-14.2-177.200000115.6T15 F70T15-G17 PolarHBondContact O-N 2.8Å; G17-F70 WeakPolarHBondContact O-CD1 3.45Å
18E91.4Very high94.5Very high10 Ų1038.9 Ų38.95%0.04723%0.227CC..  trans-85.4137.7177.3-175.3-173.9-12900110.7T14 T15 P16 K68 F70 N86T14-E18 VanDerWaalsContact CA-OE2 3.31Å; T14-E18 WeakPolarHBondContact CA-OE2 3.35Å; T14-E18 VanDerWaalsContact CB-O 3.24Å; T14-E18 WeakPolarHBondContact CB-O 3.37Å; T14-E18 WeakPolarHBondContact CB-OE2 3.42Å; T14-E18 HydrophobicContact CG2-CG 4.43Å; T14-E18 PolarHBondContact OG1-O 3.02Å; T15-E18 PolarHBondContact N-OE2 3.2Å; T15-E18 WeakPolarHBondContact O-CB 3.46Å; T15-E18 PolarHBondContact O-N 2.82Å; T15-E18 WeakPolarHBondContact OG1-CB 3.31Å; P16-E18 PolarHBondContact O-N 3.33Å; E18-K68 HydrophobicContact CG-CB 4.08Å; E18-K68 WeakPolarHBondContact OE1-CB 3.35Å; E18-F70 HydrophobicContact CB-CD1 4.38Å; E18-F70 HydrophobicContact CB-CE1 3.78Å; E18-F70 HydrophobicContact CB-CE2 4.35Å; E18-F70 HydrophobicContact CB-CZ 3.76Å; E18-F70 HydrophobicContact CG-CE2 4.47Å; E18-F70 HydrophobicContact CG-CZ 4.34Å; E18-N86 WeakPolarHBondContact OE1-CB 3.36Å; E18-N86 PolarHBondContact OE1-ND2 3.06Å
19V94.2Very high94.4Very high35 Ų3538.9 Ų38.921%0.21223%0.227CC..EExtended strand (participates in β ladder)trans-122.1156.3179.1-600000111.2T39 W50 K68 G69 F71V19-T39 HydrophobicContact CG2-CG2 4.01Å; V19-W50 HydrophobicContact CB-CH2 4.41Å; V19-W50 HydrophobicContact CB-CZ3 4.1Å; V19-W50 HydrophobicContact CG1-CH2 4.39Å; V19-W50 HydrophobicContact CG1-CZ3 4.22Å; V19-K68 WeakPolarHBondContact O-CA 3.48Å; V19-G69 PolarHBondContact N-O 3.27Å; V19-G69 PolarHBondContact O-N 3.21Å; V19-F71 HydrophobicContact CG2-CD2 3.58Å; V19-F71 HydrophobicContact CG2-CE2 3.84Å
20I97.4Very high94.4Very high0 Ų037.9 Ų37.90%022%0.222CC..EExtended strand (participates in β ladder)trans-86.1134.2165.2-53.3-171.5000108.4I10 T14 L40 W50 Y66 F67 K68I10-I20 HydrophobicContact CG2-CD1 4.28Å; I10-I20 HydrophobicContact CG2-CG2 4.03Å; T14-I20 HydrophobicContact CG2-CG1 3.83Å; I20-L40 HydrophobicContact CG2-CD2 4.3Å; I20-L40 WeakPolarHBondContact O-CB 3.42Å; I20-L40 PolarHBondContact O-N 2.83Å; I20-W50 HydrophobicContact CB-CD2 4.22Å; I20-W50 HydrophobicContact CB-CE3 4.43Å; I20-W50 HydrophobicContact CB-CG 4.26Å; I20-W50 HydrophobicContact CD1-CB 4.33Å; I20-W50 VanDerWaalsContact CD1-CD1 3.41Å; I20-W50 HydrophobicContact CD1-CD2 4.2Å; I20-W50 HydrophobicContact CD1-CG 3.74Å; I20-W50 HydrophobicContact CG1-CD2 4Å; I20-W50 HydrophobicContact CG1-CG 4.03Å; I20-Y66 HydrophobicContact CG2-CD1 3.96Å; I20-F67 CarbonylContact C-O 3.57Å; I20-F67 WeakPolarHBondContact CA-O 3.36Å; I20-K68 HydrophobicContact CG1-CG 4.31Å
21A97.9Very high94.4Very high0 Ų041.5 Ų41.50%024%0.241CC..EExtended strand (participates in β ladder)trans-129.3156.7175.900000111.2A37 V38 Y66 F67 F71A21-A37 HydrophobicContact CB-CB 4.29Å; A21-V38 CarbonylContact C-O 3.51Å; A21-V38 VanDerWaalsContact CA-O 3.26Å; A21-V38 WeakPolarHBondContact CA-O 3.45Å; A21-Y66 CarbonylContact O-C 3.42Å; A21-Y66 VanDerWaalsContact O-CA 3.3Å; A21-Y66 WeakPolarHBondContact O-CA 3.27Å; A21-F67 HydrophobicContact CB-CD1 4.13Å; A21-F67 HydrophobicContact CB-CE1 3.6Å; A21-F67 HydrophobicContact CB-CE2 4.03Å; A21-F67 HydrophobicContact CB-CZ 3.56Å; A21-F67 PolarHBondContact N-O 3.27Å; A21-F67 PolarHBondContact O-N 3.28Å; A21-F71 HydrophobicContact CB-CE2 3.73Å; A21-F71 HydrophobicContact CB-CZ 3.68Å
22V98.3Very high94.4Very high0 Ų038.3 Ų38.30%023%0.229CC..EExtended strand (participates in β ladder)trans-118.8137.7177.765.60000110.9L8 L29 A37 V38 L40 V52 Y64 R65 Y66L8-V22 HydrophobicContact CD1-CG1 4.2Å; L8-V22 HydrophobicContact CD1-CG2 4.02Å; V22-L29 HydrophobicContact CG1-CD2 3.95Å; V22-L29 HydrophobicContact CG2-CD2 3.99Å; V22-A37 WeakPolarHBondContact O-CA 3.3Å; V22-V38 HydrophobicContact CG1-CB 3.92Å; V22-V38 PolarHBondContact N-O 3.32Å; V22-V38 PolarHBondContact O-N 3.22Å; V22-L40 HydrophobicContact CB-CD1 4.02Å; V22-L40 HydrophobicContact CG1-CD1 3.91Å; V22-V52 HydrophobicContact CG1-CG1 4.22Å; V22-Y64 HydrophobicContact CG2-CD2 3.64Å; V22-Y64 HydrophobicContact CG2-CG 4.25Å; V22-R65 WeakPolarHBondContact CA-O 3.29Å; V22-Y66 HydrophobicContact CB-CD1 3.94Å; V22-Y66 HydrophobicContact CB-CE1 3.8Å; V22-Y66 HydrophobicContact CG2-CD1 4.25Å; V22-Y66 HydrophobicContact CG2-CE1 3.97Å
23V98.1Very high94.5Very high0 Ų039.1 Ų39.10%023%0.231CC..EExtended strand (participates in β ladder)trans-139.4149.7179.370.80000109.9L29 W32 A37 Y64 R65 F67 M306V23-L29 CarbonylContact C-O 3.55Å; V23-L29 WeakPolarHBondContact CA-O 3.23Å; V23-L29 WeakPolarHBondContact CG2-O 3.2Å; V23-W32 HydrophobicContact CG1-CE3 4.35Å; V23-A37 HydrophobicContact CB-CB 4.01Å; V23-A37 HydrophobicContact CG2-CB 4.3Å; V23-Y64 CarbonylContact O-C 3.57Å; V23-Y64 WeakPolarHBondContact O-CA 3.19Å; V23-Y64 WeakPolarHBondContact O-CB 3.49Å; V23-R65 PolarHBondContact N-O 3.07Å; V23-R65 PolarHBondContact O-N 2.72Å; V23-F67 HydrophobicContact CB-CE1 4.34Å; V23-F67 HydrophobicContact CG1-CD1 4.31Å; V23-F67 HydrophobicContact CG1-CE1 4.38Å; V23-M306 HydrophobicContact CG1-CB 3.9Å; V23-M306 HydrophobicContact CG1-CG 4.33Å; V23-M306 HydrophobicContact CG1-SD 3.73Å
24G97.8Very high94.6Very high0 Ų032.9 Ų32.90%020%0.202CC..EExtended strand (participates in β ladder)trans-176.3-169.4-173.700000115.3C26 L29 N31 W32 T63G24-C26 PolarHBondContact O-N 2.83Å; G24-L29 PolarHBondContact N-O 3.49Å; G24-N31 CarbonylContact O-C 3.5Å; G24-N31 WeakPolarHBondContact O-CA 3.48Å; G24-N31 PolarHBondContact O-N 3.42Å; G24-W32 PolarHBondContact O-N 3.37Å; G24-T63 CarbonylContact C-O 3.53Å; G24-T63 WeakPolarHBondContact CA-O 3.18Å
25S97.2Very high94.7Very high43 Ų4334 Ų3430%0.30120%0.204SC..SBendtrans-79.4-4.6-161620000116.8N31 T63S25-N31 PolarHBondContact O-OD1 2.93Å; S25-T63 WeakPolarHBondContact CB-OG1 3.24Å; S25-T63 PolarHBondContact N-O 2.92Å; S25-T63 PolarHBondContact OG-N 3.38Å; S25-T63 PolarHBondContact OG-O 3.28Å; S25-T63 PolarHBondContact OG-OG1 3.49Å
26C95.4Very high95Very high14 Ų1437 Ų3710%0.09521%0.21CC..SBendtrans-117.7163.6-179.270.50000112G24 A28 L29 G30 N31G24-C26 PolarHBondContact O-N 2.83Å; C26-A28 VanDerWaalsContact C-N 3.27Å; C26-A28 PolarHBondContact O-N 3.46Å; C26-L29 CarbonylContact O-C 3.5Å; C26-L29 WeakPolarHBondContact O-CA 3.46Å; C26-L29 WeakPolarHBondContact O-CB 3.44Å; C26-L29 PolarHBondContact O-N 2.89Å; C26-G30 PolarHBondContact O-N 3.22Å; C26-G30 VanDerWaalsContact O-N 3.14Å; C26-N31 WeakPolarHBondContact CA-OD1 3.38Å; C26-N31 PolarHBondContact O-N 2.96Å
27D95.4Very high95.5Very high137 Ų13731.8 Ų31.873%0.73318%0.178SC*.G310 helixtrans-52.6-42.2-178.9-68.4-25.6000113.4L29 G30 N31D27-L29 PolarHBondContact O-N 3Å; D27-L29 VanDerWaalsContact O-N 3.14Å; D27-G30 PolarHBondContact O-N 3.42Å; D27-G30 VanDerWaalsContact O-N 3.11Å; D27-N31 PolarHBondContact N-OD1 3.43Å; D27-N31 PolarHBondContact OD1-ND2 2.91Å
28A95.4Very high96Very high35 Ų3532.3 Ų32.329%0.28918%0.175SC..G310 helixtrans-66.7-12.2178.200000114.2C26 V38 S55 V56C26-A28 VanDerWaalsContact C-N 3.27Å; C26-A28 PolarHBondContact O-N 3.46Å; A28-V38 VanDerWaalsContact O-CG2 3.28Å; A28-V38 WeakPolarHBondContact O-CG2 3.44Å; A28-S55 WeakPolarHBondContact CB-O 3.11Å; A28-V56 HydrophobicContact CB-CG1 4.27Å
29L96.8Very high96.3Very high0 Ų034 Ų340%019%0.186CC..G310 helixtrans-116.811.8178.3-73.4175.1000111.9V22 V23 G24 C26 D27 N31 I54 M97V22-L29 HydrophobicContact CG1-CD2 3.95Å; V22-L29 HydrophobicContact CG2-CD2 3.99Å; V23-L29 CarbonylContact C-O 3.55Å; V23-L29 WeakPolarHBondContact CA-O 3.23Å; V23-L29 WeakPolarHBondContact CG2-O 3.2Å; G24-L29 PolarHBondContact N-O 3.49Å; C26-L29 CarbonylContact O-C 3.5Å; C26-L29 WeakPolarHBondContact O-CA 3.46Å; C26-L29 WeakPolarHBondContact O-CB 3.44Å; C26-L29 PolarHBondContact O-N 2.89Å; D27-L29 PolarHBondContact O-N 3Å; D27-L29 VanDerWaalsContact O-N 3.14Å; L29-N31 PolarHBondContact O-N 3.46Å; L29-I54 HydrophobicContact CD2-CD1 3.53Å; L29-I54 HydrophobicContact CG-CD1 4.12Å; L29-M97 HydrophobicContact CD1-CE 3.4Å; L29-M97 VanDerWaalsContact CD1-CE 3.4Å; L29-M97 HydrophobicContact CG-CE 4.38Å
30G95.6Very high96.4Very high4 Ų432.4 Ų32.44%0.04118%0.176CC..THydrogen-bonded Turntrans80.87172.600000116.4C26 D27 W32 N33 K36C26-G30 PolarHBondContact O-N 3.22Å; C26-G30 VanDerWaalsContact O-N 3.14Å; D27-G30 PolarHBondContact O-N 3.42Å; D27-G30 VanDerWaalsContact O-N 3.11Å; G30-W32 PolarHBondContact O-N 2.96Å; G30-N33 VanDerWaalsContact O-CB 3.23Å; G30-N33 WeakPolarHBondContact O-CB 3.38Å; G30-N33 PolarHBondContact O-N 3.35Å; G30-K36 WeakPolarHBondContact CA-O 3.15Å
31N96.8Very high96.2Very high76 Ų7638 Ų3841%0.40620%0.203SC..THydrogen-bonded Turntrans50.451.5-179.5-62.2-53.3000113.2G24 S25 C26 D27 L29 N33G24-N31 CarbonylContact O-C 3.5Å; G24-N31 WeakPolarHBondContact O-CA 3.48Å; G24-N31 PolarHBondContact O-N 3.42Å; S25-N31 PolarHBondContact O-OD1 2.93Å; C26-N31 WeakPolarHBondContact CA-OD1 3.38Å; C26-N31 PolarHBondContact O-N 2.96Å; D27-N31 PolarHBondContact N-OD1 3.43Å; D27-N31 PolarHBondContact OD1-ND2 2.91Å; L29-N31 PolarHBondContact O-N 3.46Å; N31-N33 PolarHBondContact O-N 3.4Å
32W97.3Very high95.9Very high32 Ų3241.7 Ų41.712%0.12123%0.226CC..THydrogen-bonded Turntrans63.34.6-177.9-58.7116.5000116V23 G24 G30 T63 R65 P94 D305 M306V23-W32 HydrophobicContact CG1-CE3 4.35Å; G24-W32 PolarHBondContact O-N 3.37Å; G30-W32 PolarHBondContact O-N 2.96Å; W32-T63 VanDerWaalsContact CZ2-OG1 3.3Å; W32-T63 WeakPolarHBondContact CZ2-OG1 3.34Å; W32-R65 HydrophobicContact CH2-CG 4.24Å; W32-R65 HydrophobicContact CZ3-CB 4.25Å; W32-R65 HydrophobicContact CZ3-CG 3.85Å; W32-P94 HydrophobicContact CH2-CB 3.77Å; W32-P94 HydrophobicContact CH2-CG 3.82Å; W32-P94 HydrophobicContact CZ2-CB 4.45Å; W32-P94 HydrophobicContact CZ2-CG 4.14Å; W32-D305 HydrophobicContact CB-CB 3.9Å; W32-D305 WeakPolarHBondContact O-CA 3.35Å; W32-M306 HydrophobicContact CE3-CB 4.31Å; W32-M306 PolarHBondContact O-N 2.99Å
33N95.6Very high95.4Very high27 Ų2745.6 Ų45.614%0.14425%0.247CC..  trans-86.1113.3175.4-170.8-32.4000110.3G30 N31 Q35 K36 A37 Q303G30-N33 VanDerWaalsContact O-CB 3.23Å; G30-N33 WeakPolarHBondContact O-CB 3.38Å; G30-N33 PolarHBondContact O-N 3.35Å; N31-N33 PolarHBondContact O-N 3.4Å; N33-Q35 PolarHBondContact O-N 2.84Å; N33-Q35 VanDerWaalsContact OD1-CB 3.29Å; N33-Q35 WeakPolarHBondContact OD1-CB 3.41Å; N33-Q35 PolarHBondContact OD1-N 3.44Å; N33-K36 HydrophobicContact CB-CB 4.33Å; N33-K36 HydrophobicContact CB-CD 4.29Å; N33-K36 HydrophobicContact CB-CG 4.28Å; N33-K36 CarbonylContact O-C 3.08Å; N33-K36 WeakPolarHBondContact O-CA 3.27Å; N33-K36 PolarHBondContact O-N 2.86Å; N33-A37 PolarHBondContact O-N 3.29Å; N33-Q303 PolarHBondContact ND2-OE1 3.41Å
34Y94.9Very high94.3Very high8 Ų848.8 Ų48.83%0.03128%0.28CS..G310 helixtrans-59.5-28.4179.966.1-88.3000113.4K36 A37 V83 V85 W124 T126 M306Y34-K36 PolarHBondContact O-N 3.24Å; Y34-A37 VanDerWaalsContact O-CB 3.26Å; Y34-A37 WeakPolarHBondContact O-CB 3.28Å; Y34-A37 PolarHBondContact O-N 2.84Å; Y34-V83 HydrophobicContact CD2-CB 3.86Å; Y34-V83 HydrophobicContact CD2-CG1 3.97Å; Y34-V83 HydrophobicContact CE2-CB 4.24Å; Y34-V85 HydrophobicContact CD2-CG2 4.01Å; Y34-V85 HydrophobicContact CG-CG2 4.11Å; Y34-W124 HydrophobicContact CD1-CH2 4.09Å; Y34-W124 AromaticContact CD1-CZ2 3.69Å; Y34-W124 HydrophobicContact CD1-CZ2 3.69Å; Y34-W124 AromaticContact CE1-CZ2 3.69Å; Y34-W124 HydrophobicContact CE1-CZ2 3.69Å; Y34-W124 HydrophobicContact CG-CZ2 4.44Å; Y34-T126 HydrophobicContact CD2-CG2 4.15Å; Y34-T126 HydrophobicContact CE1-CG2 4.33Å; Y34-T126 HydrophobicContact CE2-CG2 3.5Å; Y34-M306 VanDerWaalsContact CB-SD 3.54Å
35Q93.3Very high92.7Very high71 Ų7156.8 Ų56.833%0.33232%0.323SS..G310 helixtrans-70.1-19.2175-59.7-172.9-26.300113.1N33N33-Q35 PolarHBondContact O-N 2.84Å; N33-Q35 VanDerWaalsContact OD1-CB 3.29Å; N33-Q35 WeakPolarHBondContact OD1-CB 3.41Å; N33-Q35 PolarHBondContact OD1-N 3.44Å
36K94.3Very high91.1Very high135 Ų13560.7 Ų60.759%0.58734%0.336SS*.G310 helixtrans-107.812.1178.4-59.1-178-178.5177.80112.1G30 N33 Y34G30-K36 WeakPolarHBondContact CA-O 3.15Å; N33-K36 HydrophobicContact CB-CB 4.33Å; N33-K36 HydrophobicContact CB-CD 4.29Å; N33-K36 HydrophobicContact CB-CG 4.28Å; N33-K36 CarbonylContact O-C 3.08Å; N33-K36 WeakPolarHBondContact O-CA 3.27Å; N33-K36 PolarHBondContact O-N 2.86Å; Y34-K36 PolarHBondContact O-N 3.24Å
37A96.1Very high89.7Confident13 Ų1370.1 Ų70.111%0.10737%0.369CS..PPolyproline II helixtrans-65.5154.8177.900000111.3A21 V22 V23 N33 Y34 F67 F71A21-A37 HydrophobicContact CB-CB 4.29Å; V22-A37 WeakPolarHBondContact O-CA 3.3Å; V23-A37 HydrophobicContact CB-CB 4.01Å; V23-A37 HydrophobicContact CG2-CB 4.3Å; N33-A37 PolarHBondContact O-N 3.29Å; Y34-A37 VanDerWaalsContact O-CB 3.26Å; Y34-A37 WeakPolarHBondContact O-CB 3.28Å; Y34-A37 PolarHBondContact O-N 2.84Å; A37-F67 HydrophobicContact CB-CE1 3.4Å; A37-F67 VanDerWaalsContact CB-CE1 3.4Å; A37-F67 HydrophobicContact CB-CZ 3.61Å; A37-F71 HydrophobicContact CB-CZ 4.17Å
38V97Very high89.2Confident38 Ų3868.2 Ų68.223%0.2336%0.356CS..EExtended strand (participates in β ladder)trans-97.1121.8179.1-172.80000108.7A21 V22 A28 V52 I54A21-V38 CarbonylContact C-O 3.51Å; A21-V38 VanDerWaalsContact CA-O 3.26Å; A21-V38 WeakPolarHBondContact CA-O 3.45Å; V22-V38 HydrophobicContact CG1-CB 3.92Å; V22-V38 PolarHBondContact N-O 3.32Å; V22-V38 PolarHBondContact O-N 3.22Å; A28-V38 VanDerWaalsContact O-CG2 3.28Å; A28-V38 WeakPolarHBondContact O-CG2 3.44Å; V38-V52 HydrophobicContact CG1-CG2 3.71Å; V38-I54 HydrophobicContact CB-CG2 4.43Å; V38-I54 HydrophobicContact CG1-CG2 3.97Å; V38-I54 HydrophobicContact CG2-CG2 4.32Å
39T96.6Very high89.2Confident45 Ų4567.3 Ų67.328%0.27635%0.347SS..EExtended strand (participates in β ladder)trans-73.2141.7175.7510000111V19 F71V19-T39 HydrophobicContact CG2-CG2 4.01Å; T39-F71 HydrophobicContact CG2-CD1 3.81Å; T39-F71 HydrophobicContact CG2-CD2 3.56Å; T39-F71 HydrophobicContact CG2-CE1 3.72Å; T39-F71 HydrophobicContact CG2-CE2 3.49Å; T39-F71 VanDerWaalsContact CG2-CE2 3.49Å; T39-F71 HydrophobicContact CG2-CG 3.73Å; T39-F71 HydrophobicContact CG2-CZ 3.56Å
40L96.5Very high89.1Confident2 Ų268 Ų681%0.0135%0.35CS..PPolyproline II helixtrans-92.9159.1171.4-74.867.4000110I10 I20 V22 W50 V52 Y66I10-L40 HydrophobicContact CG2-CD2 3.55Å; I20-L40 HydrophobicContact CG2-CD2 4.3Å; I20-L40 WeakPolarHBondContact O-CB 3.42Å; I20-L40 PolarHBondContact O-N 2.83Å; V22-L40 HydrophobicContact CB-CD1 4.02Å; V22-L40 HydrophobicContact CG1-CD1 3.91Å; L40-W50 HydrophobicContact CB-CB 3.91Å; L40-W50 HydrophobicContact CB-CE3 4.2Å; L40-W50 HydrophobicContact CD2-CB 3.87Å; L40-V52 HydrophobicContact CD1-CB 4.42Å; L40-V52 HydrophobicContact CD1-CG1 3.82Å; L40-V52 HydrophobicContact CG-CB 3.96Å; L40-V52 HydrophobicContact CG-CG1 3.71Å; L40-Y66 HydrophobicContact CD1-CD1 4.45Å; L40-Y66 HydrophobicContact CD1-CE1 4.23Å; L40-Y66 HydrophobicContact CD2-CD1 4.4Å; L40-Y66 HydrophobicContact CD2-CE1 3.88Å
41H93.8Very high89.2Confident119 Ų11968.4 Ų68.455%0.55135%0.352SS*.EExtended strand (participates in β ladder)trans-116.7144177-57.2-60.3000110.9L43 W50 A51H41-L43 PolarHBondContact O-N 2.79Å; H41-W50 CarbonylContact O-C 3.56Å; H41-W50 WeakPolarHBondContact O-CA 3.23Å; H41-A51 PolarHBondContact N-O 2.86Å; H41-A51 PolarHBondContact O-N 3.1Å
42P91.8Very high89.2Confident76 Ų7665.6 Ų65.649%0.49434%0.338SS..EExtended strand (participates in β ladder)trans-62.1137.217526.7-33.7000110.5T49P42-T49 CarbonylContact C-O 3.52Å; P42-T49 WeakPolarHBondContact CA-O 3.37Å
43L87.8Confident89.2Confident83 Ų8368 Ų6844%0.43536%0.356SS..  trans-96.8108.7-176.4-164.6142.4000110.2H41 T49 A51H41-L43 PolarHBondContact O-N 2.79Å; L43-T49 HydrophobicContact CB-CG2 4.25Å; L43-T49 PolarHBondContact N-O 3.12Å; L43-A51 HydrophobicContact CD1-CB 3.65Å
44G74.4Confident89.3Confident67 Ų6767.1 Ų67.169%0.69135%0.352SS*.THydrogen-bonded Turntrans66.4-150.6-178.700000113.2E46G44-E46 VanDerWaalsContact C-N 3.26Å
45D64.3Low89.4Confident168 Ų16869.3 Ų69.390%0.89837%0.368SS*.THydrogen-bonded Turntrans-83.4-1175.7-67.3-33.2000112.8R47D45-R47 PolarHBondContact O-N 3.42Å; D45-R47 VanDerWaalsContact O-N 3.1Å
46E63.6Low89.5Confident125 Ų12566 Ų6658%0.58435%0.352SS*.  trans-76.496.6177-66.9-172.6-178.800110.1G44 H48 T49G44-E46 VanDerWaalsContact C-N 3.26Å; E46-H48 PolarHBondContact O-N 2.92Å; E46-T49 PolarHBondContact O-N 3.44Å; E46-T49 PolarHBondContact OE2-OG1 3.35Å
47R65.8Low89.5Confident211 Ų21161 Ų6180%0.79633%0.334SS*.THydrogen-bonded Turntrans-57.7-3.9-177-69.8-172.7177.7-168.9-1.7116.2D45D45-R47 PolarHBondContact O-N 3.42Å; D45-R47 VanDerWaalsContact O-N 3.1Å
48H86.1Confident89.4Confident97 Ų9764.2 Ų64.245%0.44935%0.345SS..THydrogen-bonded Turntrans-120.7-7.6-172.1-52.2-54.6000113.7R11 G12 E46R11-H48 CarbonylContact C-O 3.55Å; R11-H48 WeakPolarHBondContact CA-O 3.33Å; G12-H48 PolarHBondContact N-O 2.56Å; E46-H48 PolarHBondContact O-N 2.92Å
49T94.1Very high89.1Confident16 Ų1664.8 Ų64.810%0.09836%0.359CS..EExtended strand (participates in β ladder)trans-106.3126.5-178.7-54.80000109.4T9 P42 L43 E46T9-T49 HydrophobicContact CG2-CG2 3.61Å; P42-T49 CarbonylContact C-O 3.52Å; P42-T49 WeakPolarHBondContact CA-O 3.37Å; L43-T49 HydrophobicContact CB-CG2 4.25Å; L43-T49 PolarHBondContact N-O 3.12Å; E46-T49 PolarHBondContact O-N 3.44Å; E46-T49 PolarHBondContact OE2-OG1 3.35Å
50W96.4Very high89Confident16 Ų1666.2 Ų66.26%0.06137%0.367CS..EExtended strand (participates in β ladder)trans-120.8140.7-176-6477.4000110T9 I10 G12 T14 V19 I20 L40 H41T9-W50 CarbonylContact C-O 3.54Å; T9-W50 VanDerWaalsContact CA-O 3.28Å; T9-W50 WeakPolarHBondContact CA-O 3.29Å; I10-W50 HydrophobicContact CG2-CB 4.19Å; I10-W50 PolarHBondContact N-O 3.04Å; I10-W50 PolarHBondContact O-N 3.1Å; G12-W50 PolarHBondContact O-NE1 2.78Å; T14-W50 HydrophobicContact CG2-CH2 4.24Å; T14-W50 HydrophobicContact CG2-CZ2 3.59Å; T14-W50 WeakPolarHBondContact OG1-CZ2 3.25Å; V19-W50 HydrophobicContact CB-CH2 4.41Å; V19-W50 HydrophobicContact CB-CZ3 4.1Å; V19-W50 HydrophobicContact CG1-CH2 4.39Å; V19-W50 HydrophobicContact CG1-CZ3 4.22Å; I20-W50 HydrophobicContact CB-CD2 4.22Å; I20-W50 HydrophobicContact CB-CE3 4.43Å; I20-W50 HydrophobicContact CB-CG 4.26Å; I20-W50 HydrophobicContact CD1-CB 4.33Å; I20-W50 VanDerWaalsContact CD1-CD1 3.41Å; I20-W50 HydrophobicContact CD1-CD2 4.2Å; I20-W50 HydrophobicContact CD1-CG 3.74Å; I20-W50 HydrophobicContact CG1-CD2 4Å; I20-W50 HydrophobicContact CG1-CG 4.03Å; L40-W50 HydrophobicContact CB-CB 3.91Å; L40-W50 HydrophobicContact CB-CE3 4.2Å; L40-W50 HydrophobicContact CD2-CB 3.87Å; H41-W50 CarbonylContact O-C 3.56Å; H41-W50 WeakPolarHBondContact O-CA 3.23Å
51A96.8Very high88.9Confident12 Ų1270.5 Ų70.510%0.09939%0.393CS..EExtended strand (participates in β ladder)trans-142.4155179.300000113.6L8 H41 L43L8-A51 CarbonylContact O-C 3.52Å; L8-A51 WeakPolarHBondContact O-CA 3.38Å; L8-A51 WeakPolarHBondContact O-CB 3.38Å; H41-A51 PolarHBondContact N-O 2.86Å; H41-A51 PolarHBondContact O-N 3.1Å; L43-A51 HydrophobicContact CD1-CB 3.65Å
52V97.3Very high89Confident16 Ų1664.9 Ų64.910%0.09737%0.368CS..EExtended strand (participates in β ladder)trans-151.9144.2170.268.50000110.6N7 L8 V22 V38 L40 I54N7-V52 CarbonylContact C-O 3.49Å; N7-V52 WeakPolarHBondContact CA-O 3.43Å; N7-V52 PolarHBondContact OD1-O 2.63Å; L8-V52 HydrophobicContact CB-CG1 4.28Å; L8-V52 PolarHBondContact N-O 3.49Å; L8-V52 PolarHBondContact O-N 3.33Å; V22-V52 HydrophobicContact CG1-CG1 4.22Å; V38-V52 HydrophobicContact CG1-CG2 3.71Å; L40-V52 HydrophobicContact CD1-CB 4.42Å; L40-V52 HydrophobicContact CD1-CG1 3.82Å; L40-V52 HydrophobicContact CG-CB 3.96Å; L40-V52 HydrophobicContact CG-CG1 3.71Å; V52-I54 HydrophobicContact CG1-CG2 4.19Å; V52-I54 HydrophobicContact CG2-CG2 4.22Å
53T97.4Very high89.3Confident83 Ų8363 Ų6351%0.50936%0.355SS..EExtended strand (participates in β ladder)trans-102.9123.2171-60.80000110.1Q5 V6Q5-T53 HydrophobicContact CB-CG2 4.26Å; V6-T53 CarbonylContact O-C 3.55Å; V6-T53 WeakPolarHBondContact O-CA 3.37Å
54I96.8Very high89.8Confident9 Ų959.2 Ų59.25%0.04634%0.335CS..EExtended strand (participates in β ladder)trans-122.6148.8-178.656.1172.6000111.5Q5 V6 L8 L29 V38 V52 V56 M97Q5-I54 WeakPolarHBondContact CA-O 3Å; V6-I54 HydrophobicContact CB-CG1 4.22Å; V6-I54 PolarHBondContact N-O 3.34Å; V6-I54 WeakPolarHBondContact O-CG1 3.44Å; V6-I54 PolarHBondContact O-N 2.85Å; L8-I54 HydrophobicContact CD1-CD1 3.66Å; L8-I54 HydrophobicContact CD1-CG1 4.4Å; L8-I54 HydrophobicContact CG-CD1 4.26Å; L29-I54 HydrophobicContact CD2-CD1 3.53Å; L29-I54 HydrophobicContact CG-CD1 4.12Å; V38-I54 HydrophobicContact CB-CG2 4.43Å; V38-I54 HydrophobicContact CG1-CG2 3.97Å; V38-I54 HydrophobicContact CG2-CG2 4.32Å; V52-I54 HydrophobicContact CG1-CG2 4.19Å; V52-I54 HydrophobicContact CG2-CG2 4.22Å; I54-V56 HydrophobicContact CD1-CG1 3.7Å; I54-V56 HydrophobicContact CG1-CG1 3.99Å; I54-M97 HydrophobicContact CD1-CE 4.04Å
55S96.6Very high90.9Very high54 Ų5456.1 Ų56.138%0.37830%0.302SS..EExtended strand (participates in β ladder)trans-99.1101.7177.3-62.90000110.8Q5 A28Q5-S55 VanDerWaalsContact CD-OG 3.25Å; Q5-S55 PolarHBondContact NE2-OG 3.34Å; Q5-S55 PolarHBondContact OE1-OG 2.59Å; Q5-S55 VanDerWaalsContact OE1-OG 3.05Å; A28-S55 WeakPolarHBondContact CB-O 3.11Å
56V95.6Very high92.5Very high0 Ų048.1 Ų48.10%026%0.259CS..EExtended strand (participates in β ladder)trans-110.6159.3-176.4-620000112T3 S4 V6 A28 I54 K58 M97 P99T3-V56 CarbonylContact C-O 3.57Å; T3-V56 WeakPolarHBondContact CA-O 3.34Å; T3-V56 WeakPolarHBondContact CB-O 3.42Å; S4-V56 PolarHBondContact N-O 2.95Å; S4-V56 PolarHBondContact O-N 3.45Å; V6-V56 HydrophobicContact CB-CG2 4.34Å; V6-V56 HydrophobicContact CG2-CG2 3.51Å; A28-V56 HydrophobicContact CB-CG1 4.27Å; I54-V56 HydrophobicContact CD1-CG1 3.7Å; I54-V56 HydrophobicContact CG1-CG1 3.99Å; V56-K58 PolarHBondContact O-N 3.42Å; V56-M97 HydrophobicContact CB-CE 4.5Å; V56-M97 HydrophobicContact CG1-CE 3.79Å; V56-M97 HydrophobicContact CG2-SD 4.32Å; V56-P99 HydrophobicContact CG2-CG 3.5Å; V56-P99 VanDerWaalsContact CG2-CG 3.5Å
57P93.9Very high94.2Very high30 Ų3042.1 Ų42.120%0.19523%0.232CC..EExtended strand (participates in β ladder)trans-61.7130.6179.4-21.733.5000112.3V60P57-V60 HydrophobicContact CB-CB 4.01Å; P57-V60 HydrophobicContact CB-CG2 3.89Å
58K94.2Very high95.7Very high82 Ų8233.4 Ų33.436%0.35720%0.199SC..THydrogen-bonded Turntrans-73.8132.3-178.9-176.6179.1-178-170.90111Q2 S4 V56 V60 T100Q2-K58 HydrophobicContact CB-CB 4.21Å; Q2-K58 HydrophobicContact CB-CD 4.27Å; Q2-K58 WeakPolarHBondContact O-CB 3.42Å; Q2-K58 PolarHBondContact O-N 3.47Å; S4-K58 WeakPolarHBondContact OG-CG 3.33Å; V56-K58 PolarHBondContact O-N 3.42Å; K58-V60 PolarHBondContact O-N 2.98Å; K58-T100 WeakPolarHBondContact CE-O 3.34Å
59G91.8Very high96.1Very high50 Ų5028.8 Ų28.852%0.51518%0.178SC..THydrogen-bonded Turntrans71.811.6177.400000114.7P99G59-P99 PolarHBondContact N-O 3.45Å
60V93.3Very high96Very high74 Ų7429.2 Ų29.245%0.44818%0.179SC..SBendtrans-108.5136.9175.8-176.80000108.3P57 K58 S62P57-V60 HydrophobicContact CB-CB 4.01Å; P57-V60 HydrophobicContact CB-CG2 3.89Å; K58-V60 PolarHBondContact O-N 2.98Å; V60-S62 PolarHBondContact O-N 2.91Å
61V95.6Very high95.8Very high92 Ų9230.3 Ų30.356%0.55818%0.184SC*.  trans-72.3120.4174.1-178.50000108.8T96 M97V61-T96 HydrophobicContact CG1-CG2 3.45Å; V61-T96 VanDerWaalsContact CG1-CG2 3.45Å; V61-M97 WeakPolarHBondContact CA-O 3.35Å
62S96Very high95.3Very high2 Ų230.3 Ų30.31%0.01418%0.182CC..EExtended strand (participates in β ladder)trans-114.3134.1172.8-67.90000109.6V60 T96 M97V60-S62 PolarHBondContact O-N 2.91Å; S62-T96 WeakPolarHBondContact O-CA 3.47Å; S62-M97 PolarHBondContact N-O 2.87Å; S62-M97 PolarHBondContact O-N 2.74Å
63T97.7Very high94.2Very high37 Ų3736.2 Ų36.223%0.22721%0.208CC..EExtended strand (participates in β ladder)trans-107.4144.1175.950.30000110.4G24 S25 W32 R95G24-T63 CarbonylContact C-O 3.53Å; G24-T63 WeakPolarHBondContact CA-O 3.18Å; S25-T63 WeakPolarHBondContact CB-OG1 3.24Å; S25-T63 PolarHBondContact N-O 2.92Å; S25-T63 PolarHBondContact OG-N 3.38Å; S25-T63 PolarHBondContact OG-O 3.28Å; S25-T63 PolarHBondContact OG-OG1 3.49Å; W32-T63 VanDerWaalsContact CZ2-OG1 3.3Å; W32-T63 WeakPolarHBondContact CZ2-OG1 3.34Å; T63-R95 CarbonylContact C-O 3.47Å; T63-R95 WeakPolarHBondContact CA-O 3.37Å
64Y98.1Very high92.8Very high2 Ų234.2 Ų34.21%0.00820%0.198CC..EExtended strand (participates in β ladder)trans-154.3167.4-174.163.5-80.8000113L8 V22 V23 Y66 P94 R95 M97 D108L8-Y64 HydrophobicContact CD1-CE2 4.34Å; L8-Y64 HydrophobicContact CD2-CE2 4.35Å; V22-Y64 HydrophobicContact CG2-CD2 3.64Å; V22-Y64 HydrophobicContact CG2-CG 4.25Å; V23-Y64 CarbonylContact O-C 3.57Å; V23-Y64 WeakPolarHBondContact O-CA 3.19Å; V23-Y64 WeakPolarHBondContact O-CB 3.49Å; Y64-Y66 HydrophobicContact CD2-CE2 4.16Å; Y64-Y66 AromaticContact CE2-CE2 3.75Å; Y64-Y66 HydrophobicContact CE2-CE2 3.75Å; Y64-Y66 AromaticContact CE2-CZ 3.97Å; Y64-P94 WeakPolarHBondContact O-CB 3.42Å; Y64-R95 HydrophobicContact CD1-CB 4.21Å; Y64-R95 HydrophobicContact CD2-CB 4.07Å; Y64-R95 HydrophobicContact CE1-CB 3.92Å; Y64-R95 HydrophobicContact CE2-CB 3.8Å; Y64-R95 HydrophobicContact CE2-CG 4.48Å; Y64-R95 HydrophobicContact CG-CB 4.27Å; Y64-R95 PolarHBondContact N-O 2.77Å; Y64-R95 WeakPolarHBondContact O-CB 3.37Å; Y64-R95 PolarHBondContact O-N 2.79Å; Y64-M97 HydrophobicContact CD1-CE 3.94Å; Y64-M97 HydrophobicContact CD1-CG 4.11Å; Y64-M97 HydrophobicContact CD1-SD 4.46Å; Y64-M97 HydrophobicContact CE1-CB 3.94Å; Y64-M97 HydrophobicContact CE1-CE 4.25Å; Y64-M97 HydrophobicContact CE1-CG 3.78Å; Y64-M97 HydrophobicContact CE1-SD 4.19Å; Y64-D108 VanDerWaalsContact CE2-OD2 3.24Å; Y64-D108 WeakPolarHBondContact CE2-OD2 3.39Å; Y64-D108 PolarHBondContact OH-OD1 3.39Å; Y64-D108 PolarHBondContact OH-OD2 3.32Å
65R98Very high91.3Very high2 Ų242.7 Ų42.71%0.00824%0.235CC..EExtended strand (participates in β ladder)trans-143.8156178.5-67.3172.5-174.1-74.7-3.3110.4V22 V23 W32 E89 H91 P94 M306 S307V22-R65 WeakPolarHBondContact CA-O 3.29Å; V23-R65 PolarHBondContact N-O 3.07Å; V23-R65 PolarHBondContact O-N 2.72Å; W32-R65 HydrophobicContact CH2-CG 4.24Å; W32-R65 HydrophobicContact CZ3-CB 4.25Å; W32-R65 HydrophobicContact CZ3-CG 3.85Å; R65-E89 HydrophobicContact CB-CB 4.36Å; R65-E89 WeakPolarHBondContact CD-O 3.41Å; R65-E89 PolarHBondContact NH1-O 3.43Å; R65-H91 PolarHBondContact NH1-O 3.35Å; R65-H91 PolarHBondContact NH2-O 3.49Å; R65-P94 HydrophobicContact CG-CB 4.1Å; R65-M306 WeakPolarHBondContact CD-O 3.4Å; R65-M306 PolarHBondContact NE-O 3.34Å; R65-M306 VanDerWaalsContact NE-O 3.17Å; R65-S307 PolarHBondContact NE-O 3.02Å; R65-S307 PolarHBondContact NH2-O 2.98Å; R65-S307 VanDerWaalsContact NH2-O 3.14Å
66Y98.4Very high89.7Confident0 Ų043.6 Ų43.60%024%0.241CC..EExtended strand (participates in β ladder)trans-98.8152.3168.9-63.8-83.5000112.3I10 I20 A21 V22 L40 Y64 E89 D108I10-Y66 HydrophobicContact CB-CE1 4.4Å; I10-Y66 HydrophobicContact CD1-CD1 4.1Å; I10-Y66 HydrophobicContact CD1-CD2 3.34Å; I10-Y66 HydrophobicContact CD1-CE1 4.28Å; I10-Y66 HydrophobicContact CD1-CE2 3.56Å; I10-Y66 HydrophobicContact CD1-CG 3.62Å; I10-Y66 HydrophobicContact CG2-CD1 4.18Å; I10-Y66 HydrophobicContact CG2-CE1 3.99Å; I20-Y66 HydrophobicContact CG2-CD1 3.96Å; A21-Y66 CarbonylContact O-C 3.42Å; A21-Y66 VanDerWaalsContact O-CA 3.3Å; A21-Y66 WeakPolarHBondContact O-CA 3.27Å; V22-Y66 HydrophobicContact CB-CD1 3.94Å; V22-Y66 HydrophobicContact CB-CE1 3.8Å; V22-Y66 HydrophobicContact CG2-CD1 4.25Å; V22-Y66 HydrophobicContact CG2-CE1 3.97Å; L40-Y66 HydrophobicContact CD1-CD1 4.45Å; L40-Y66 HydrophobicContact CD1-CE1 4.23Å; L40-Y66 HydrophobicContact CD2-CD1 4.4Å; L40-Y66 HydrophobicContact CD2-CE1 3.88Å; Y64-Y66 HydrophobicContact CD2-CE2 4.16Å; Y64-Y66 AromaticContact CE2-CE2 3.75Å; Y64-Y66 HydrophobicContact CE2-CE2 3.75Å; Y64-Y66 AromaticContact CE2-CZ 3.97Å; Y66-E89 PolarHBondContact N-OE2 2.93Å; Y66-E89 WeakPolarHBondContact O-CG 3.48Å; Y66-E89 PolarHBondContact O-N 3.38Å; Y66-D108 HydrophobicContact CE2-CB 3.83Å; Y66-D108 PolarHBondContact OH-OD2 2.85Å
67F98.3Very high88Confident0 Ų049.1 Ų49.10%029%0.287CS..EExtended strand (participates in β ladder)trans-143.2159.2164.670.9-84.5000111.1I20 A21 V23 A37 F71 V83 V85 L87 W88 M306I20-F67 CarbonylContact C-O 3.57Å; I20-F67 WeakPolarHBondContact CA-O 3.36Å; A21-F67 HydrophobicContact CB-CD1 4.13Å; A21-F67 HydrophobicContact CB-CE1 3.6Å; A21-F67 HydrophobicContact CB-CE2 4.03Å; A21-F67 HydrophobicContact CB-CZ 3.56Å; A21-F67 PolarHBondContact N-O 3.27Å; A21-F67 PolarHBondContact O-N 3.28Å; V23-F67 HydrophobicContact CB-CE1 4.34Å; V23-F67 HydrophobicContact CG1-CD1 4.31Å; V23-F67 HydrophobicContact CG1-CE1 4.38Å; A37-F67 HydrophobicContact CB-CE1 3.4Å; A37-F67 VanDerWaalsContact CB-CE1 3.4Å; A37-F67 HydrophobicContact CB-CZ 3.61Å; F67-F71 HydrophobicContact CE2-CE2 4.13Å; F67-F71 HydrophobicContact CE2-CZ 4.25Å; F67-F71 HydrophobicContact CZ-CE2 4.15Å; F67-F71 AromaticContact CZ-CZ 3.81Å; F67-F71 HydrophobicContact CZ-CZ 3.81Å; F67-V83 HydrophobicContact CE2-CG1 4Å; F67-V83 HydrophobicContact CZ-CG1 4.16Å; F67-V85 HydrophobicContact CB-CG1 4.36Å; F67-V85 HydrophobicContact CD2-CB 4.47Å; F67-V85 HydrophobicContact CD2-CG1 4.15Å; F67-V85 HydrophobicContact CD2-CG2 4.11Å; F67-V85 HydrophobicContact CE2-CG2 4.09Å; F67-V85 HydrophobicContact CG-CG1 4.49Å; F67-L87 CarbonylContact C-O 3.57Å; F67-L87 VanDerWaalsContact CA-O 3.31Å; F67-L87 WeakPolarHBondContact CA-O 3.49Å; F67-L87 WeakPolarHBondContact CB-O 3.5Å; F67-W88 HydrophobicContact CB-CB 3.49Å; F67-W88 VanDerWaalsContact CB-CB 3.49Å; F67-M306 HydrophobicContact CB-CE 3.81Å; F67-M306 HydrophobicContact CD1-CE 3.93Å; F67-M306 HydrophobicContact CD1-SD 3.93Å; F67-M306 HydrophobicContact CE1-SD 4.17Å; F67-M306 HydrophobicContact CG-CE 3.98Å; F67-M306 HydrophobicContact CG-SD 4.41Å
68K97.3Very high86.3Confident28 Ų2851.9 Ų51.912%0.12232%0.32CS..EExtended strand (participates in β ladder)trans-103.6136.4169.1-60.7-178-175.8175.10109E13 T14 E18 V19 I20 N86 L87 F111E13-K68 WeakPolarHBondContact O-CE 3.05Å; E13-K68 PolarHBondContact O-NZ 3.4Å; T14-K68 HydrophobicContact CG2-CD 4.49Å; E18-K68 HydrophobicContact CG-CB 4.08Å; E18-K68 WeakPolarHBondContact OE1-CB 3.35Å; V19-K68 WeakPolarHBondContact O-CA 3.48Å; I20-K68 HydrophobicContact CG1-CG 4.31Å; K68-N86 PolarHBondContact O-N 3.16Å; K68-L87 HydrophobicContact CB-CB 4.49Å; K68-L87 PolarHBondContact N-O 3.23Å; K68-L87 PolarHBondContact O-N 2.99Å; K68-F111 HydrophobicContact CD-CD1 4.33Å; K68-F111 HydrophobicContact CD-CE1 4.16Å; K68-F111 HydrophobicContact CD-CZ 4.39Å; K68-F111 HydrophobicContact CG-CD2 4.35Å; K68-F111 HydrophobicContact CG-CE1 4.19Å; K68-F111 HydrophobicContact CG-CE2 4.01Å; K68-F111 HydrophobicContact CG-CZ 3.92Å
69G95.1Very high84.8Confident0 Ų049.1 Ų49.10%032%0.315CS..EExtended strand (participates in β ladder)trans-171.5179.6-173.400000114.3V19 I84V19-G69 PolarHBondContact N-O 3.27Å; V19-G69 PolarHBondContact O-N 3.21Å; G69-I84 CarbonylContact C-O 3.52Å; G69-I84 WeakPolarHBondContact CA-O 3.44Å
70F92.7Very high83.6Confident25 Ų2551.8 Ų51.811%0.1132%0.323CS..EExtended strand (participates in β ladder)trans-115.7132.9177.9-56.5-93.5000109.3G17 E18 L72 V83 I84G17-F70 WeakPolarHBondContact O-CD1 3.45Å; E18-F70 HydrophobicContact CB-CD1 4.38Å; E18-F70 HydrophobicContact CB-CE1 3.78Å; E18-F70 HydrophobicContact CB-CE2 4.35Å; E18-F70 HydrophobicContact CB-CZ 3.76Å; E18-F70 HydrophobicContact CG-CE2 4.47Å; E18-F70 HydrophobicContact CG-CZ 4.34Å; F70-L72 HydrophobicContact CB-CD2 3.98Å; F70-V83 WeakPolarHBondContact O-CA 3.36Å; F70-I84 HydrophobicContact CB-CB 4.01Å; F70-I84 HydrophobicContact CB-CD1 4.35Å; F70-I84 HydrophobicContact CB-CG1 4.09Å; F70-I84 HydrophobicContact CD2-CB 4.05Å; F70-I84 HydrophobicContact CD2-CD1 4.49Å; F70-I84 HydrophobicContact CD2-CG2 4.01Å; F70-I84 PolarHBondContact N-O 3.1Å; F70-I84 PolarHBondContact O-N 2.57Å
71F91.4Very high83Confident38 Ų3850.5 Ų50.517%0.16732%0.317CS..EExtended strand (participates in β ladder)trans-108.8105.3175.7-74.1-108.7000107.2V19 A21 A37 T39 F67 V83V19-F71 HydrophobicContact CG2-CD2 3.58Å; V19-F71 HydrophobicContact CG2-CE2 3.84Å; A21-F71 HydrophobicContact CB-CE2 3.73Å; A21-F71 HydrophobicContact CB-CZ 3.68Å; A37-F71 HydrophobicContact CB-CZ 4.17Å; T39-F71 HydrophobicContact CG2-CD1 3.81Å; T39-F71 HydrophobicContact CG2-CD2 3.56Å; T39-F71 HydrophobicContact CG2-CE1 3.72Å; T39-F71 HydrophobicContact CG2-CE2 3.49Å; T39-F71 VanDerWaalsContact CG2-CE2 3.49Å; T39-F71 HydrophobicContact CG2-CG 3.73Å; T39-F71 HydrophobicContact CG2-CZ 3.56Å; F67-F71 HydrophobicContact CE2-CE2 4.13Å; F67-F71 HydrophobicContact CE2-CZ 4.25Å; F67-F71 HydrophobicContact CZ-CE2 4.15Å; F67-F71 AromaticContact CZ-CZ 3.81Å; F67-F71 HydrophobicContact CZ-CZ 3.81Å; F71-V83 HydrophobicContact CD1-CG1 4.44Å; F71-V83 HydrophobicContact CD1-CG2 3.57Å; F71-V83 HydrophobicContact CD2-CG1 4.46Å; F71-V83 HydrophobicContact CE1-CG1 4.12Å; F71-V83 HydrophobicContact CE1-CG2 3.65Å; F71-V83 HydrophobicContact CE2-CG1 4.12Å; F71-V83 HydrophobicContact CG-CG2 4.22Å; F71-V83 HydrophobicContact CZ-CG1 3.95Å; F71-V83 HydrophobicContact CZ-CG2 4.34Å
72L85.4Confident82.6Confident13 Ų1350.5 Ų50.57%0.06831%0.311CS..EExtended strand (participates in β ladder)trans-95128.4-174-44.5177.2000109.1F70 C81 Q82 I84 H181 M223F70-L72 HydrophobicContact CB-CD2 3.98Å; L72-C81 WeakPolarHBondContact O-CA 3.26Å; L72-C81 PolarHBondContact O-SG 3.48Å; L72-Q82 HydrophobicContact CB-CB 4.24Å; L72-Q82 HydrophobicContact CD1-CB 4.28Å; L72-Q82 PolarHBondContact N-O 3.48Å; L72-Q82 PolarHBondContact O-N 2.99Å; L72-Q82 VanDerWaalsContact O-N 3.13Å; L72-I84 HydrophobicContact CD1-CD1 4.08Å; L72-I84 HydrophobicContact CD1-CG1 4.15Å; L72-I84 HydrophobicContact CG-CG1 4.43Å; L72-H181 WeakPolarHBondContact CD2-O 3.23Å; L72-M223 HydrophobicContact CD1-CE 3.6Å; L72-M223 HydrophobicContact CD1-CG 4.24Å; L72-M223 HydrophobicContact CD1-SD 3.96Å
73E74.8Confident82.4Confident139 Ų13950.4 Ų50.465%0.6531%0.31SS*.PPolyproline II helixtrans-64.6143.2174.6-66.5-173.1167.500110.7
74S68.9Low82.2Confident41 Ų4148.9 Ų48.929%0.28730%0.301SS..PPolyproline II helixtrans-66.6135177.3170.90000110.5S76 G79S74-S76 WeakPolarHBondContact CB-O 3.42Å; S74-S76 PolarHBondContact O-N 3.35Å; S74-S76 VanDerWaalsContact O-N 3.16Å; S74-S76 PolarHBondContact OG-N 2.96Å; S74-S76 VanDerWaalsContact OG-N 3.08Å; S74-S76 PolarHBondContact OG-O 3.39Å; S74-S76 PolarHBondContact OG-OG 3.25Å; S74-S76 VanDerWaalsContact OG-OG 3.11Å; S74-G79 WeakPolarHBondContact CB-O 3.35Å; S74-G79 VanDerWaalsContact OG-CA 3.25Å; S74-G79 WeakPolarHBondContact OG-CA 3.25Å
75K64Low82.1Confident188 Ų18849.1 Ų49.182%0.81730%0.302SS*.SBendtrans-60.8-20.2170.9-65.2-171.8-179.1-177.10112.4D224K75-D224 IonicContact NZ-OD1 3.22Å
76S62.6Low81.9Confident73 Ų7352.7 Ų52.751%0.5132%0.321SS..SBendtrans-109.2137.4174.958.50000112.1S74 G78 G79S74-S76 WeakPolarHBondContact CB-O 3.42Å; S74-S76 PolarHBondContact O-N 3.35Å; S74-S76 VanDerWaalsContact O-N 3.16Å; S74-S76 PolarHBondContact OG-N 2.96Å; S74-S76 VanDerWaalsContact OG-N 3.08Å; S74-S76 PolarHBondContact OG-O 3.39Å; S74-S76 PolarHBondContact OG-OG 3.25Å; S74-S76 VanDerWaalsContact OG-OG 3.11Å; S76-G78 PolarHBondContact O-N 2.87Å; S76-G78 VanDerWaalsContact O-N 3.11Å; S76-G79 PolarHBondContact O-N 3.37Å
77A61.1Low81.8Confident116 Ų11655.1 Ų55.196%0.95933%0.334SS*.THydrogen-bonded Turntrans-57.8115177.300000110.9
78G58.8Low81.8Confident87 Ų8755.2 Ų55.290%0.89734%0.335SS*.THydrogen-bonded Turntrans84.45.2-178.500000115.7S76S76-G78 PolarHBondContact O-N 2.87Å; S76-G78 VanDerWaalsContact O-N 3.11Å
79G61.5Low81.8Confident24 Ų2454 Ų5425%0.24733%0.329CS..PPolyproline II helixtrans-71.4160.5170.900000112.7S74 S76S74-G79 WeakPolarHBondContact CB-O 3.35Å; S74-G79 VanDerWaalsContact OG-CA 3.25Å; S74-G79 WeakPolarHBondContact OG-CA 3.25Å; S76-G79 PolarHBondContact O-N 3.37Å
80P67.2Low81.9Confident106 Ų10655.2 Ų55.269%0.68834%0.337SS*.PPolyproline II helixtrans-66.8139-178.428.1-33.6000111.2Q82P80-Q82 PolarHBondContact O-N 3.03Å
81C79.4Confident81.9Confident48 Ų4854.7 Ų54.732%0.32434%0.335SS..PPolyproline II helixtrans-61.4130.5170.1178.50000109.8L72L72-C81 WeakPolarHBondContact O-CA 3.26Å; L72-C81 PolarHBondContact O-SG 3.48Å
82Q88.1Confident81.8Confident91 Ų9158.5 Ų58.543%0.42535%0.353SS..EExtended strand (participates in β ladder)trans-85.6130.7171.4-69.8-176.3-27.400108.8L72 P80L72-Q82 HydrophobicContact CB-CB 4.24Å; L72-Q82 HydrophobicContact CD1-CB 4.28Å; L72-Q82 PolarHBondContact N-O 3.48Å; L72-Q82 PolarHBondContact O-N 2.99Å; L72-Q82 VanDerWaalsContact O-N 3.13Å; P80-Q82 PolarHBondContact O-N 3.03Å
83V92.2Very high82.1Confident1 Ų164.5 Ų64.51%0.00638%0.381CS..EExtended strand (participates in β ladder)trans-117.9123.8-176.4-179.40000109.8Y34 F67 F70 F71 T126Y34-V83 HydrophobicContact CD2-CB 3.86Å; Y34-V83 HydrophobicContact CD2-CG1 3.97Å; Y34-V83 HydrophobicContact CE2-CB 4.24Å; F67-V83 HydrophobicContact CE2-CG1 4Å; F67-V83 HydrophobicContact CZ-CG1 4.16Å; F70-V83 WeakPolarHBondContact O-CA 3.36Å; F71-V83 HydrophobicContact CD1-CG1 4.44Å; F71-V83 HydrophobicContact CD1-CG2 3.57Å; F71-V83 HydrophobicContact CD2-CG1 4.46Å; F71-V83 HydrophobicContact CE1-CG1 4.12Å; F71-V83 HydrophobicContact CE1-CG2 3.65Å; F71-V83 HydrophobicContact CE2-CG1 4.12Å; F71-V83 HydrophobicContact CG-CG2 4.22Å; F71-V83 HydrophobicContact CZ-CG1 3.95Å; F71-V83 HydrophobicContact CZ-CG2 4.34Å; V83-T126 VanDerWaalsContact O-CB 3.28Å; V83-T126 WeakPolarHBondContact O-CB 3.44Å; V83-T126 PolarHBondContact O-OG1 3.11Å
84I93.9Very high83Confident5 Ų559.1 Ų59.13%0.02636%0.358CS..EExtended strand (participates in β ladder)trans-94.1125.5172-49.3-157.4000108.2G69 F70 L72 Q128 M183 M223G69-I84 CarbonylContact C-O 3.52Å; G69-I84 WeakPolarHBondContact CA-O 3.44Å; F70-I84 HydrophobicContact CB-CB 4.01Å; F70-I84 HydrophobicContact CB-CD1 4.35Å; F70-I84 HydrophobicContact CB-CG1 4.09Å; F70-I84 HydrophobicContact CD2-CB 4.05Å; F70-I84 HydrophobicContact CD2-CD1 4.49Å; F70-I84 HydrophobicContact CD2-CG2 4.01Å; F70-I84 PolarHBondContact N-O 3.1Å; F70-I84 PolarHBondContact O-N 2.57Å; L72-I84 HydrophobicContact CD1-CD1 4.08Å; L72-I84 HydrophobicContact CD1-CG1 4.15Å; L72-I84 HydrophobicContact CG-CG1 4.43Å; I84-Q128 VanDerWaalsContact CB-NE2 3.32Å; I84-Q128 HydrophobicContact CD1-CG 3.87Å; I84-Q128 HydrophobicContact CG1-CG 4.47Å; I84-Q128 HydrophobicContact CG2-CG 4.49Å; I84-M183 HydrophobicContact CD1-CB 3.64Å; I84-M183 HydrophobicContact CD1-CG 3.86Å; I84-M183 HydrophobicContact CD1-SD 3.39Å; I84-M183 WeakPolarHBondContact CD1-SD 3.39Å; I84-M223 HydrophobicContact CD1-CG 4.35Å; I84-M223 HydrophobicContact CD1-SD 3.82Å
85V95.5Very high84.4Confident6 Ų657.5 Ų57.54%0.03635%0.345CS..EExtended strand (participates in β ladder)trans-97.9115.1170.1-178.50000107.2Y34 F67 W88 G123 W124 T126 M306Y34-V85 HydrophobicContact CD2-CG2 4.01Å; Y34-V85 HydrophobicContact CG-CG2 4.11Å; F67-V85 HydrophobicContact CB-CG1 4.36Å; F67-V85 HydrophobicContact CD2-CB 4.47Å; F67-V85 HydrophobicContact CD2-CG1 4.15Å; F67-V85 HydrophobicContact CD2-CG2 4.11Å; F67-V85 HydrophobicContact CE2-CG2 4.09Å; F67-V85 HydrophobicContact CG-CG1 4.49Å; V85-W88 HydrophobicContact CG1-CB 4.06Å; V85-W88 HydrophobicContact CG1-CG 4.29Å; V85-G123 WeakPolarHBondContact O-CA 3.43Å; V85-W124 HydrophobicContact CB-CZ3 4.36Å; V85-W124 HydrophobicContact CG1-CZ3 4.16Å; V85-W124 HydrophobicContact CG2-CH2 4.28Å; V85-W124 HydrophobicContact CG2-CZ3 4.4Å; V85-T126 HydrophobicContact CB-CG2 4.49Å; V85-T126 HydrophobicContact CG2-CG2 4.2Å; V85-M306 HydrophobicContact CG1-CE 4.21Å
86N94.3Very high85.9Confident77 Ų7752.6 Ų52.641%0.41233%0.331SS..EExtended strand (participates in β ladder)trans-93.3-51.2179.3-173.924.3000111.1E18 K68 S122 G123E18-N86 WeakPolarHBondContact OE1-CB 3.36Å; E18-N86 PolarHBondContact OE1-ND2 3.06Å; K68-N86 PolarHBondContact O-N 3.16Å; N86-S122 CarbonylContact O-C 3.48Å; N86-S122 WeakPolarHBondContact O-CA 3.47Å; N86-G123 PolarHBondContact O-N 3.29Å
87L96.3Very high87.5Confident52 Ų5249.4 Ų49.427%0.27231%0.308SS..EExtended strand (participates in β ladder)trans-143.4137-178.4-170.173.2000109.6F67 K68 F111 V120 D121F67-L87 CarbonylContact C-O 3.57Å; F67-L87 VanDerWaalsContact CA-O 3.31Å; F67-L87 WeakPolarHBondContact CA-O 3.49Å; F67-L87 WeakPolarHBondContact CB-O 3.5Å; K68-L87 HydrophobicContact CB-CB 4.49Å; K68-L87 PolarHBondContact N-O 3.23Å; K68-L87 PolarHBondContact O-N 2.99Å; L87-F111 HydrophobicContact CD2-CE1 3.63Å; L87-F111 HydrophobicContact CD2-CZ 4.36Å; L87-F111 HydrophobicContact CG-CE1 4.02Å; L87-F111 HydrophobicContact CG-CZ 4.3Å; L87-V120 HydrophobicContact CD1-CB 4.06Å; L87-V120 HydrophobicContact CD1-CG2 4.09Å; L87-V120 HydrophobicContact CD2-CB 4.41Å; L87-V120 HydrophobicContact CD2-CG2 4.32Å; L87-V120 HydrophobicContact CG-CB 4.1Å; L87-V120 HydrophobicContact CG-CG2 4.4Å; L87-D121 WeakPolarHBondContact CA-O 3.37Å; L87-D121 WeakPolarHBondContact CD1-O 3.45Å
88W97.6Very high89.1Confident2 Ų246.4 Ų46.41%0.00828%0.28CS..EExtended strand (participates in β ladder)trans-145.6157.3-175.672.7-69.9000113.9F67 V85 T90 V120 D121 S122 M306 S309 N515F67-W88 HydrophobicContact CB-CB 3.49Å; F67-W88 VanDerWaalsContact CB-CB 3.49Å; V85-W88 HydrophobicContact CG1-CB 4.06Å; V85-W88 HydrophobicContact CG1-CG 4.29Å; W88-T90 HydrophobicContact CD2-CG2 3.72Å; W88-T90 VanDerWaalsContact CE2-CG2 3.41Å; W88-T90 HydrophobicContact CE3-CG2 4.09Å; W88-T90 HydrophobicContact CG-CG2 4.35Å; W88-T90 HydrophobicContact CH2-CG2 4.06Å; W88-T90 HydrophobicContact CZ2-CG2 3.6Å; W88-T90 HydrophobicContact CZ3-CG2 4.25Å; W88-T90 PolarHBondContact O-N 3.26Å; W88-V120 WeakPolarHBondContact O-CA 3.44Å; W88-D121 PolarHBondContact N-O 3.5Å; W88-D121 PolarHBondContact O-N 3.03Å; W88-S122 PolarHBondContact NE1-O 3.43Å; W88-M306 HydrophobicContact CB-CE 3.49Å; W88-M306 VanDerWaalsContact CB-CE 3.49Å; W88-M306 HydrophobicContact CD2-CE 3.69Å; W88-M306 HydrophobicContact CE3-CB 4.44Å; W88-M306 HydrophobicContact CE3-CE 3.46Å; W88-M306 VanDerWaalsContact CE3-CE 3.46Å; W88-M306 HydrophobicContact CG-CE 3.75Å; W88-M306 HydrophobicContact CZ3-CB 4.12Å; W88-M306 HydrophobicContact CZ3-CE 4.24Å; W88-S309 VanDerWaalsContact CZ2-CB 3.48Å; W88-N515 HydrophobicContact CZ2-CB 4.03Å
89E97.4Very high90.7Very high1 Ų142.3 Ų42.31%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-75.6119.5-179.5-67.1-172.4146.100112.5R65 Y66 R95 F111 G112 C119R65-E89 HydrophobicContact CB-CB 4.36Å; R65-E89 WeakPolarHBondContact CD-O 3.41Å; R65-E89 PolarHBondContact NH1-O 3.43Å; Y66-E89 PolarHBondContact N-OE2 2.93Å; Y66-E89 WeakPolarHBondContact O-CG 3.48Å; Y66-E89 PolarHBondContact O-N 3.38Å; E89-R95 IonicContact OE1-CZ 2.83Å; E89-R95 IonicContact OE1-NE 2.72Å; E89-R95 PolarHBondContact OE1-NE 2.71Å; E89-R95 IonicContact OE1-NH2 3.8Å; E89-R95 PolarHBondContact OE1-NH2 2.83Å; E89-R95 IonicContact OE2-CZ 3.81Å; E89-R95 IonicContact OE2-NE 2.81Å; E89-R95 PolarHBondContact OE2-NE 3.34Å; E89-R95 IonicContact OE2-NH2 3.59Å; E89-F111 HydrophobicContact CG-CE2 4.22Å; E89-G112 PolarHBondContact OE1-N 2.95Å; E89-C119 WeakPolarHBondContact CA-O 3.49Å
90T95.8Very high92.2Very high26 Ų2645.6 Ų45.616%0.1625%0.253CS..  trans-112.916.4-173.752.50000114.4W88 H92 C119 D121W88-T90 HydrophobicContact CD2-CG2 3.72Å; W88-T90 VanDerWaalsContact CE2-CG2 3.41Å; W88-T90 HydrophobicContact CE3-CG2 4.09Å; W88-T90 HydrophobicContact CG-CG2 4.35Å; W88-T90 HydrophobicContact CH2-CG2 4.06Å; W88-T90 HydrophobicContact CZ2-CG2 3.6Å; W88-T90 HydrophobicContact CZ3-CG2 4.25Å; W88-T90 PolarHBondContact O-N 3.26Å; T90-H92 PolarHBondContact O-N 3.15Å; T90-C119 PolarHBondContact N-O 2.85Å; T90-D121 HydrophobicContact CG2-CB 3.56Å
91H94.1Very high93.4Very high14 Ų1444 Ų447%0.06524%0.242CC..  trans-50.8139.1175.4-55.582.9000111.2R65 Q93 G112 H114 V117 C119R65-H91 PolarHBondContact NH1-O 3.35Å; R65-H91 PolarHBondContact NH2-O 3.49Å; H91-Q93 VanDerWaalsContact C-N 3.26Å; H91-Q93 WeakPolarHBondContact CB-O 3.3Å; H91-Q93 PolarHBondContact O-N 3.48Å; H91-G112 PolarHBondContact CE1-O 2.97Å; H91-G112 PolarHBondContact NE2-O 3.05Å; H91-H114 PolarHBondContact NE2-N 3.1Å; H91-V117 PolarHBondContact NE2-O 3.19Å; H91-C119 HydrophobicContact CB-CB 4.45Å; H91-C119 VanDerWaalsContact CD2-CB 3.47Å; H91-C119 WeakPolarHBondContact CD2-CB 3.36Å; H91-C119 VanDerWaalsContact CD2-SG 3.55Å; H91-C119 PolarHBondContact CE1-O 3.14Å; H91-C119 WeakPolarHBondContact NE2-CB 3.41Å; H91-C119 PolarHBondContact NE2-N 3.03Å
92H88.9Confident94Very high119 Ų11945.1 Ų45.155%0.55125%0.254SS*.SBendtrans-55.9-44.3-179.5-177.466.3000111.8T90 Y310T90-H92 PolarHBondContact O-N 3.15Å; H92-Y310 AromaticContact CE1-CE1 3.94Å; H92-Y310 AromaticContact ND1-CE1 3.86Å
93Q91.3Very high94.3Very high139 Ų13948.3 Ų48.365%0.6527%0.269SS*.SBendtrans-96.1123.8170.4-68-177.5-15.300110.3H91H91-Q93 VanDerWaalsContact C-N 3.26Å; H91-Q93 WeakPolarHBondContact CB-O 3.3Å; H91-Q93 PolarHBondContact O-N 3.48Å
94P95.3Very high94.4Very high26 Ų2651 Ų5117%0.16928%0.281CS..PPolyproline II helixtrans-63.1167.6171.2-12.222.4000112.7W32 Y64 R65W32-P94 HydrophobicContact CH2-CB 3.77Å; W32-P94 HydrophobicContact CH2-CG 3.82Å; W32-P94 HydrophobicContact CZ2-CB 4.45Å; W32-P94 HydrophobicContact CZ2-CG 4.14Å; Y64-P94 WeakPolarHBondContact O-CB 3.42Å; R65-P94 HydrophobicContact CG-CB 4.1Å
95R96.8Very high94.5Very high7 Ų756.9 Ų56.93%0.02631%0.313CS..EExtended strand (participates in β ladder)trans-65.3152.9168.2-61173.9-179.6-91-0.7109.6T63 Y64 E89 D108 F113T63-R95 CarbonylContact C-O 3.47Å; T63-R95 WeakPolarHBondContact CA-O 3.37Å; Y64-R95 HydrophobicContact CD1-CB 4.21Å; Y64-R95 HydrophobicContact CD2-CB 4.07Å; Y64-R95 HydrophobicContact CE1-CB 3.92Å; Y64-R95 HydrophobicContact CE2-CB 3.8Å; Y64-R95 HydrophobicContact CE2-CG 4.48Å; Y64-R95 HydrophobicContact CG-CB 4.27Å; Y64-R95 PolarHBondContact N-O 2.77Å; Y64-R95 WeakPolarHBondContact O-CB 3.37Å; Y64-R95 PolarHBondContact O-N 2.79Å; E89-R95 IonicContact OE1-CZ 2.83Å; E89-R95 IonicContact OE1-NE 2.72Å; E89-R95 PolarHBondContact OE1-NE 2.71Å; E89-R95 IonicContact OE1-NH2 3.8Å; E89-R95 PolarHBondContact OE1-NH2 2.83Å; E89-R95 IonicContact OE2-CZ 3.81Å; E89-R95 IonicContact OE2-NE 2.81Å; E89-R95 PolarHBondContact OE2-NE 3.34Å; E89-R95 IonicContact OE2-NH2 3.59Å; R95-D108 IonicContact CZ-OD1 3.29Å; R95-D108 PolarHBondContact NH1-O 2.8Å; R95-D108 IonicContact NH1-OD1 3.78Å; R95-D108 PolarHBondContact NH1-OD1 3.34Å; R95-F113 PolarHBondContact NH2-O 3.32Å
96T96.6Very high94.6Very high84 Ų8457.8 Ų57.852%0.51532%0.317SS..EExtended strand (participates in β ladder)trans-133.3137.5-174.1-59.10000111.3V61 S62V61-T96 HydrophobicContact CG1-CG2 3.45Å; V61-T96 VanDerWaalsContact CG1-CG2 3.45Å; S62-T96 WeakPolarHBondContact O-CA 3.47Å
97M95.5Very high94.6Very high7 Ų758.9 Ų58.93%0.03432%0.323CS..EExtended strand (participates in β ladder)trans-132.5150169.561.6176.2158.800110.9V6 L29 I54 V56 V61 S62 Y64 I106V6-M97 HydrophobicContact CB-SD 4.46Å; V6-M97 HydrophobicContact CG1-SD 4.06Å; V6-M97 HydrophobicContact CG2-SD 4.31Å; L29-M97 HydrophobicContact CD1-CE 3.4Å; L29-M97 VanDerWaalsContact CD1-CE 3.4Å; L29-M97 HydrophobicContact CG-CE 4.38Å; I54-M97 HydrophobicContact CD1-CE 4.04Å; V56-M97 HydrophobicContact CB-CE 4.5Å; V56-M97 HydrophobicContact CG1-CE 3.79Å; V56-M97 HydrophobicContact CG2-SD 4.32Å; V61-M97 WeakPolarHBondContact CA-O 3.35Å; S62-M97 PolarHBondContact N-O 2.87Å; S62-M97 PolarHBondContact O-N 2.74Å; Y64-M97 HydrophobicContact CD1-CE 3.94Å; Y64-M97 HydrophobicContact CD1-CG 4.11Å; Y64-M97 HydrophobicContact CD1-SD 4.46Å; Y64-M97 HydrophobicContact CE1-CB 3.94Å; Y64-M97 HydrophobicContact CE1-CE 4.25Å; Y64-M97 HydrophobicContact CE1-CG 3.78Å; Y64-M97 HydrophobicContact CE1-SD 4.19Å; M97-I106 HydrophobicContact CB-CD1 3.69Å; M97-I106 HydrophobicContact SD-CD1 4.36Å
98S94.9Very high94.6Very high53 Ų5357.5 Ų57.537%0.37132%0.316SS..  trans-144.678.2174.71740000109.6T100S98-T100 PolarHBondContact O-N 3.4Å
99P92.7Very high94.5Very high0 Ų058.2 Ų58.20%032%0.324CS..  trans-74.6126.1-170.728.2-32.3000112.3V6 V56 G59 Q104V6-P99 HydrophobicContact CG2-CB 3.82Å; V6-P99 HydrophobicContact CG2-CG 3.84Å; V56-P99 HydrophobicContact CG2-CG 3.5Å; V56-P99 VanDerWaalsContact CG2-CG 3.5Å; G59-P99 PolarHBondContact N-O 3.45Å; P99-Q104 VanDerWaalsContact CB-OE1 3.3Å
100T92.1Very high94.5Very high94 Ų9462.9 Ų62.958%0.57735%0.346SS*.  trans-108-16-178.255.60000113.3K58 S98K58-T100 WeakPolarHBondContact CE-O 3.34Å; S98-T100 PolarHBondContact O-N 3.4Å
101V93.2Very high94.5Very high73 Ų7362 Ų6244%0.44234%0.34SS..SBendtrans-102.2164.7179.8-67.30000111.2S4 Q103 Q104S4-V101 VanDerWaalsContact CB-O 3.26Å; S4-V101 WeakPolarHBondContact CB-O 3.32Å; S4-V101 PolarHBondContact OG-O 3.25Å; V101-Q103 VanDerWaalsContact C-N 3.31Å; V101-Q103 WeakPolarHBondContact CG2-O 3.47Å; V101-Q103 PolarHBondContact O-N 3.02Å; V101-Q104 HydrophobicContact CG2-CB 3.96Å
102A91.6Very high94.6Very high71 Ų7161.3 Ų61.359%0.58734%0.337SS*.SBendtrans-65.9-34.1-178.900000113.1Q5Q5-A102 PolarHBondContact N-O 2.94Å
103Q94.1Very high95Very high158 Ų15859.1 Ų59.174%0.73833%0.326SS*.EExtended strand (participates in β ladder)trans-134.9130.3177.3-71.9-179.8-18.500109.5Q5 V101Q5-Q103 HydrophobicContact CB-CG 4.16Å; Q5-Q103 CarbonylContact O-C 3.6Å; Q5-Q103 VanDerWaalsContact O-CA 3.29Å; Q5-Q103 WeakPolarHBondContact O-CA 3.37Å; V101-Q103 VanDerWaalsContact C-N 3.31Å; V101-Q103 WeakPolarHBondContact CG2-O 3.47Å; V101-Q103 PolarHBondContact O-N 3.02Å
104Q95.4Very high95Very high57 Ų5754 Ų5427%0.26630%0.302SS..EExtended strand (participates in β ladder)trans-134.7140.7177.6179.9170.6-19.300110.1Q5 V6 N7 P99 V101 I106Q5-Q104 PolarHBondContact O-N 3.29Å; V6-Q104 CarbonylContact C-O 3.6Å; V6-Q104 VanDerWaalsContact CA-O 3.3Å; V6-Q104 WeakPolarHBondContact CA-O 3.34Å; V6-Q104 HydrophobicContact CG2-CB 4.46Å; N7-Q104 PolarHBondContact N-O 3.24Å; P99-Q104 VanDerWaalsContact CB-OE1 3.3Å; V101-Q104 HydrophobicContact CG2-CB 3.96Å; Q104-I106 HydrophobicContact CG-CG1 4.18Å
105N96.1Very high94.7Very high128 Ų12859.3 Ų59.368%0.68433%0.329SS*.EExtended strand (participates in β ladder)trans-107.5136.8172-59.8-42000108.8N7N7-N105 VanDerWaalsContact CB-OD1 3.32Å; N7-N105 WeakPolarHBondContact CB-OD1 3.47Å; N7-N105 WeakPolarHBondContact O-CA 3.26Å
106I96.6Very high94.3Very high26 Ų2662.5 Ų62.513%0.13336%0.364CS..EExtended strand (participates in β ladder)trans-129.7119.2176.1-55.7179.8000107.7V6 N7 L8 T9 M97 Q104V6-I106 HydrophobicContact CG1-CD1 3.71Å; V6-I106 HydrophobicContact CG1-CG1 4.04Å; N7-I106 PolarHBondContact O-N 3.12Å; L8-I106 CarbonylContact C-O 3.48Å; L8-I106 HydrophobicContact CD2-CB 3.91Å; L8-I106 HydrophobicContact CD2-CD1 4.05Å; L8-I106 HydrophobicContact CD2-CG1 4.39Å; L8-I106 HydrophobicContact CD2-CG2 4.35Å; T9-I106 PolarHBondContact N-O 2.87Å; M97-I106 HydrophobicContact CB-CD1 3.69Å; M97-I106 HydrophobicContact SD-CD1 4.36Å; Q104-I106 HydrophobicContact CG-CG1 4.18Å
107D95.6Very high94.1Very high99 Ų9962.4 Ų62.453%0.52936%0.363SS..EExtended strand (participates in β ladder)trans-97.6109.3167.9179.8-4.6000108.1R11 G109R11-D107 IonicContact CZ-OD1 3.16Å; R11-D107 IonicContact NH1-OD1 2.74Å; R11-D107 PolarHBondContact NH1-OD1 3.18Å; R11-D107 IonicContact NH1-OD2 3.72Å; R11-D107 PolarHBondContact NH1-OD2 3.34Å; R11-D107 IonicContact NH2-OD1 3.16Å; D107-G109 VanDerWaalsContact C-N 3.27Å; D107-G109 PolarHBondContact O-N 2.8Å; D107-G109 PolarHBondContact OD1-N 2.94Å
108D96.3Very high94.1Very high23 Ų2367.8 Ų67.812%0.12339%0.386CS..EExtended strand (participates in β ladder)trans-86.53.5-175.8-96.4-55.3000113.7T9 I10 Y64 Y66 R95T9-D108 PolarHBondContact O-N 3.43Å; I10-D108 HydrophobicContact CB-CB 4.48Å; I10-D108 HydrophobicContact CD1-CB 4.31Å; I10-D108 HydrophobicContact CG1-CB 4.46Å; Y64-D108 VanDerWaalsContact CE2-OD2 3.24Å; Y64-D108 WeakPolarHBondContact CE2-OD2 3.39Å; Y64-D108 PolarHBondContact OH-OD1 3.39Å; Y64-D108 PolarHBondContact OH-OD2 3.32Å; Y66-D108 HydrophobicContact CE2-CB 3.83Å; Y66-D108 PolarHBondContact OH-OD2 2.85Å; R95-D108 IonicContact CZ-OD1 3.29Å; R95-D108 PolarHBondContact NH1-O 2.8Å; R95-D108 IonicContact NH1-OD1 3.78Å; R95-D108 PolarHBondContact NH1-OD1 3.34Å
109G95.4Very high94Very high18 Ų1867 Ų6719%0.18638%0.381CS..EExtended strand (participates in β ladder)trans85.4-125.7173.100000112.6R11 D107R11-G109 WeakPolarHBondContact CB-O 3.3Å; R11-G109 PolarHBondContact N-O 3.38Å; R11-G109 VanDerWaalsContact NH2-CA 3.33Å; D107-G109 VanDerWaalsContact C-N 3.27Å; D107-G109 PolarHBondContact O-N 2.8Å; D107-G109 PolarHBondContact OD1-N 2.94Å
110E96Very high94.2Very high99 Ų9969.1 Ų69.146%0.46339%0.393SS..EExtended strand (participates in β ladder)trans-108.5138.1179.3-171.9-177.2153.900110.3R11 G112 F113R11-E110 CarbonylContact O-C 3.55Å; R11-E110 WeakPolarHBondContact O-CA 3.06Å; E110-G112 PolarHBondContact O-N 2.94Å; E110-F113 HydrophobicContact CB-CB 4.42Å; E110-F113 HydrophobicContact CB-CD2 4.01Å; E110-F113 HydrophobicContact CG-CD2 3.95Å; E110-F113 HydrophobicContact CG-CE2 4.4Å; E110-F113 PolarHBondContact O-N 3.24Å; E110-F113 WeakPolarHBondContact OE1-CE2 3.39Å
111F97.3Very high94.3Very high7 Ų765.1 Ų65.13%0.03137%0.368CS..THydrogen-bonded Turntrans-50.2129174.5173.8-89.7000111.6I10 R11 K68 L87 E89 F113 V120I10-F111 HydrophobicContact CD1-CB 4.24Å; R11-F111 PolarHBondContact O-N 3.41Å; K68-F111 HydrophobicContact CD-CD1 4.33Å; K68-F111 HydrophobicContact CD-CE1 4.16Å; K68-F111 HydrophobicContact CD-CZ 4.39Å; K68-F111 HydrophobicContact CG-CD2 4.35Å; K68-F111 HydrophobicContact CG-CE1 4.19Å; K68-F111 HydrophobicContact CG-CE2 4.01Å; K68-F111 HydrophobicContact CG-CZ 3.92Å; L87-F111 HydrophobicContact CD2-CE1 3.63Å; L87-F111 HydrophobicContact CD2-CZ 4.36Å; L87-F111 HydrophobicContact CG-CE1 4.02Å; L87-F111 HydrophobicContact CG-CZ 4.3Å; E89-F111 HydrophobicContact CG-CE2 4.22Å; F111-F113 PolarHBondContact O-N 3.08Å; F111-V120 HydrophobicContact CD1-CG1 4.4Å; F111-V120 HydrophobicContact CE1-CG1 3.76Å; F111-V120 HydrophobicContact CZ-CG1 4.28Å
112G96.1Very high94.4Very high0 Ų064.3 Ų64.30%037%0.366CS..THydrogen-bonded Turntrans86.4-16.3179.400000114.3E89 H91 E110 K118 C119E89-G112 PolarHBondContact OE1-N 2.95Å; H91-G112 PolarHBondContact CE1-O 2.97Å; H91-G112 PolarHBondContact NE2-O 3.05Å; E110-G112 PolarHBondContact O-N 2.94Å; G112-K118 CarbonylContact O-C 3.51Å; G112-K118 WeakPolarHBondContact O-CA 3.21Å; G112-C119 PolarHBondContact O-N 3.32Å
113F96.3Very high94.5Very high72 Ų7261.7 Ų61.732%0.31635%0.346SS..EExtended strand (participates in β ladder)trans-99.1118.8176.5-74.8-92.3000111.1R95 E110 F111 V117 K118R95-F113 PolarHBondContact NH2-O 3.32Å; E110-F113 HydrophobicContact CB-CB 4.42Å; E110-F113 HydrophobicContact CB-CD2 4.01Å; E110-F113 HydrophobicContact CG-CD2 3.95Å; E110-F113 HydrophobicContact CG-CE2 4.4Å; E110-F113 PolarHBondContact O-N 3.24Å; E110-F113 WeakPolarHBondContact OE1-CE2 3.39Å; F111-F113 PolarHBondContact O-N 3.08Å; F113-V117 WeakPolarHBondContact CA-O 3.36Å; F113-K118 HydrophobicContact CD1-CB 3.92Å; F113-K118 HydrophobicContact CD2-CB 4.41Å; F113-K118 HydrophobicContact CD2-CD 4.33Å; F113-K118 HydrophobicContact CD2-CG 4.17Å; F113-K118 HydrophobicContact CE1-CB 3.69Å; F113-K118 HydrophobicContact CE1-CD 4.46Å; F113-K118 HydrophobicContact CE1-CG 4.36Å; F113-K118 HydrophobicContact CE2-CB 4.21Å; F113-K118 HydrophobicContact CE2-CD 3.66Å; F113-K118 HydrophobicContact CE2-CG 3.96Å; F113-K118 HydrophobicContact CG-CB 4.3Å; F113-K118 HydrophobicContact CG-CG 4.48Å; F113-K118 HydrophobicContact CZ-CB 3.85Å; F113-K118 HydrophobicContact CZ-CD 3.74Å; F113-K118 HydrophobicContact CZ-CG 4.07Å
114H92.3Very high94.6Very high33 Ų3354.7 Ų54.715%0.15331%0.313CS..EExtended strand (participates in β ladder)trans-136.4130174.2-179-137.6000108.1H91 G116 V117H91-H114 PolarHBondContact NE2-N 3.1Å; H114-G116 PolarHBondContact O-N 3.37Å; H114-V117 PolarHBondContact N-O 3.4Å; H114-V117 PolarHBondContact O-N 2.68Å; H114-V117 VanDerWaalsContact O-N 3.07Å
115N87.9Confident94.6Very high136 Ų13652.1 Ų52.173%0.72730%0.301SS*.THydrogen-bonded Turntrans51.438.1-175.2-61.1-28.3000114.2V117N115-V117 VanDerWaalsContact C-N 3.26Å; N115-V117 PolarHBondContact O-N 2.68Å
116G89.2Confident94.5Very high74 Ų7446.9 Ų46.976%0.76327%0.273SS*.THydrogen-bonded Turntrans78.21.6178.500000115.3H114H114-G116 PolarHBondContact O-N 3.37Å
117V91.9Very high94.2Very high83 Ų8347 Ų4750%0.50328%0.276SS..EExtended strand (participates in β ladder)trans-113.6131.2179.6-173.40000110.3H91 F113 H114 N115H91-V117 PolarHBondContact NE2-O 3.19Å; F113-V117 WeakPolarHBondContact CA-O 3.36Å; H114-V117 PolarHBondContact N-O 3.4Å; H114-V117 PolarHBondContact O-N 2.68Å; H114-V117 VanDerWaalsContact O-N 3.07Å; N115-V117 VanDerWaalsContact C-N 3.26Å; N115-V117 PolarHBondContact O-N 2.68Å
118K94.6Very high94.1Very high119 Ų11942.4 Ų42.452%0.51725%0.252SS..EExtended strand (participates in β ladder)trans-83.8118171.1-163.9176.8-173.3166.80110.2G112 F113G112-K118 CarbonylContact O-C 3.51Å; G112-K118 WeakPolarHBondContact O-CA 3.21Å; F113-K118 HydrophobicContact CD1-CB 3.92Å; F113-K118 HydrophobicContact CD2-CB 4.41Å; F113-K118 HydrophobicContact CD2-CD 4.33Å; F113-K118 HydrophobicContact CD2-CG 4.17Å; F113-K118 HydrophobicContact CE1-CB 3.69Å; F113-K118 HydrophobicContact CE1-CD 4.46Å; F113-K118 HydrophobicContact CE1-CG 4.36Å; F113-K118 HydrophobicContact CE2-CB 4.21Å; F113-K118 HydrophobicContact CE2-CD 3.66Å; F113-K118 HydrophobicContact CE2-CG 3.96Å; F113-K118 HydrophobicContact CG-CB 4.3Å; F113-K118 HydrophobicContact CG-CG 4.48Å; F113-K118 HydrophobicContact CZ-CB 3.85Å; F113-K118 HydrophobicContact CZ-CD 3.74Å; F113-K118 HydrophobicContact CZ-CG 4.07Å
119C94.4Very high94Very high38 Ų3841.8 Ų41.826%0.25725%0.249SC..  trans-134.3101.6172.6-58.20000109.4E89 T90 H91 G112E89-C119 WeakPolarHBondContact CA-O 3.49Å; T90-C119 PolarHBondContact N-O 2.85Å; H91-C119 HydrophobicContact CB-CB 4.45Å; H91-C119 VanDerWaalsContact CD2-CB 3.47Å; H91-C119 WeakPolarHBondContact CD2-CB 3.36Å; H91-C119 VanDerWaalsContact CD2-SG 3.55Å; H91-C119 PolarHBondContact CE1-O 3.14Å; H91-C119 WeakPolarHBondContact NE2-CB 3.41Å; H91-C119 PolarHBondContact NE2-N 3.03Å; G112-C119 PolarHBondContact O-N 3.32Å
120V95.6Very high94.1Very high44 Ų4441.4 Ų41.427%0.26724%0.242SC..EExtended strand (participates in β ladder)trans-133.8148.5175.1-64.20000109.3L87 W88 F111L87-V120 HydrophobicContact CD1-CB 4.06Å; L87-V120 HydrophobicContact CD1-CG2 4.09Å; L87-V120 HydrophobicContact CD2-CB 4.41Å; L87-V120 HydrophobicContact CD2-CG2 4.32Å; L87-V120 HydrophobicContact CG-CB 4.1Å; L87-V120 HydrophobicContact CG-CG2 4.4Å; W88-V120 WeakPolarHBondContact O-CA 3.44Å; F111-V120 HydrophobicContact CD1-CG1 4.4Å; F111-V120 HydrophobicContact CE1-CG1 3.76Å; F111-V120 HydrophobicContact CZ-CG1 4.28Å
121D95.6Very high94.2Very high9 Ų936.7 Ų36.75%0.04822%0.22CC..EExtended strand (participates in β ladder)trans-135157.2172.9-160.615.6000109.7L87 W88 T90 T311 R511 N552L87-D121 WeakPolarHBondContact CA-O 3.37Å; L87-D121 WeakPolarHBondContact CD1-O 3.45Å; W88-D121 PolarHBondContact N-O 3.5Å; W88-D121 PolarHBondContact O-N 3.03Å; T90-D121 HydrophobicContact CG2-CB 3.56Å; D121-T311 PolarHBondContact OD2-OG1 3.23Å; D121-R511 IonicContact OD1-NH2 3.36Å; D121-R511 IonicContact OD2-NH2 3.95Å; D121-R511 PolarHBondContact OD2-NH2 2.7Å; D121-N552 PolarHBondContact OD1-ND2 2.68Å
122S94Very high94.2Very high57 Ų5737.1 Ų37.140%0.39922%0.222SC..EExtended strand (participates in β ladder)trans-60.4151.317159.40000110.1N86 W88N86-S122 CarbonylContact O-C 3.48Å; N86-S122 WeakPolarHBondContact O-CA 3.47Å; W88-S122 PolarHBondContact NE1-O 3.43Å
123G94.8Very high94.2Very high15 Ų1537.1 Ų37.116%0.15522%0.222CC..  trans-68.1-173.7169.200000112.7V85 N86V85-G123 WeakPolarHBondContact O-CA 3.43Å; N86-G123 PolarHBondContact O-N 3.29Å
124W95.8Very high94.2Very high12 Ų1234.5 Ų34.55%0.04521%0.21CC..  trans-121.7169.9175.867.399.8000108.4Y34 V85 T126 C304 M306 L512 N515Y34-W124 HydrophobicContact CD1-CH2 4.09Å; Y34-W124 AromaticContact CD1-CZ2 3.69Å; Y34-W124 HydrophobicContact CD1-CZ2 3.69Å; Y34-W124 AromaticContact CE1-CZ2 3.69Å; Y34-W124 HydrophobicContact CE1-CZ2 3.69Å; Y34-W124 HydrophobicContact CG-CZ2 4.44Å; V85-W124 HydrophobicContact CB-CZ3 4.36Å; V85-W124 HydrophobicContact CG1-CZ3 4.16Å; V85-W124 HydrophobicContact CG2-CH2 4.28Å; V85-W124 HydrophobicContact CG2-CZ3 4.4Å; W124-T126 HydrophobicContact CD2-CG2 4.35Å; W124-T126 HydrophobicContact CZ2-CG2 4.14Å; W124-T126 PolarHBondContact O-N 3.12Å; W124-C304 HydrophobicContact CZ2-CB 3.8Å; W124-C304 WeakPolarHBondContact CZ2-O 3.37Å; W124-M306 HydrophobicContact CH2-CG 3.92Å; W124-M306 HydrophobicContact CH2-SD 4.42Å; W124-L512 WeakPolarHBondContact CB-O 3.39Å; W124-N515 HydrophobicContact CD2-CB 3.7Å; W124-N515 HydrophobicContact CE3-CB 3.3Å; W124-N515 HydrophobicContact CG-CB 4.28Å; W124-N515 HydrophobicContact CH2-CB 4.37Å; W124-N515 VanDerWaalsContact CH2-ND2 3.25Å; W124-N515 WeakPolarHBondContact CH2-ND2 3.38Å; W124-N515 HydrophobicContact CZ3-CB 3.69Å; W124-N515 WeakPolarHBondContact CZ3-ND2 3.47Å
125L95.4Very high94.3Very high3 Ų333 Ų332%0.01620%0.203CC..  trans-64.2109.6174.5-62.7173.9000109.3Q128 D130 H221 I296 P298 L512L125-Q128 HydrophobicContact CD2-CB 4.04Å; L125-D130 HydrophobicContact CD1-CB 4.3Å; L125-D130 HydrophobicContact CD2-CB 4.33Å; L125-H221 WeakPolarHBondContact CD2-CE1 3.16Å; L125-I296 HydrophobicContact CD1-CB 4.24Å; L125-I296 HydrophobicContact CD1-CG2 3.73Å; L125-P298 HydrophobicContact CB-CB 4.02Å; L125-P298 VanDerWaalsContact O-CB 3.32Å; L125-P298 WeakPolarHBondContact O-CB 3.31Å; L125-L512 WeakPolarHBondContact CB-O 3.42Å; L125-L512 HydrophobicContact CD1-CB 3.91Å; L125-L512 HydrophobicContact CG-CB 4.06Å; L125-L512 PolarHBondContact N-O 2.66Å
126T93.8Very high94.5Very high18 Ų1827.3 Ų27.311%0.1117%0.172CC..SBendtrans-98.7-37.9176.655.90000111.7Y34 V83 V85 W124 Q128Y34-T126 HydrophobicContact CD2-CG2 4.15Å; Y34-T126 HydrophobicContact CE1-CG2 4.33Å; Y34-T126 HydrophobicContact CE2-CG2 3.5Å; V83-T126 VanDerWaalsContact O-CB 3.28Å; V83-T126 WeakPolarHBondContact O-CB 3.44Å; V83-T126 PolarHBondContact O-OG1 3.11Å; V85-T126 HydrophobicContact CB-CG2 4.49Å; V85-T126 HydrophobicContact CG2-CG2 4.2Å; W124-T126 HydrophobicContact CD2-CG2 4.35Å; W124-T126 HydrophobicContact CZ2-CG2 4.14Å; W124-T126 PolarHBondContact O-N 3.12Å; T126-Q128 PolarHBondContact OG1-NE2 3.03Å; T126-Q128 PolarHBondContact OG1-OE1 2.93Å
127C90.6Very high94.3Very high29 Ų2926.7 Ų26.720%0.19615%0.148CC..SBendtrans-152.5-4.8177.554.70000113.3M223C127-M223 HydrophobicContact CB-CE 4.17Å
128Q92.9Very high93.6Very high2 Ų224.5 Ų24.51%0.00914%0.136CC..  trans-86.4162.8179.9-41.475.116.400110I84 L125 T126 M183 H221 T222 M223 P298I84-Q128 VanDerWaalsContact CB-NE2 3.32Å; I84-Q128 HydrophobicContact CD1-CG 3.87Å; I84-Q128 HydrophobicContact CG1-CG 4.47Å; I84-Q128 HydrophobicContact CG2-CG 4.49Å; L125-Q128 HydrophobicContact CD2-CB 4.04Å; T126-Q128 PolarHBondContact OG1-NE2 3.03Å; T126-Q128 PolarHBondContact OG1-OE1 2.93Å; Q128-M183 HydrophobicContact CG-SD 4.05Å; Q128-H221 WeakPolarHBondContact CB-NE2 3.1Å; Q128-H221 WeakPolarHBondContact CG-NE2 3.37Å; Q128-T222 WeakPolarHBondContact CA-O 3.35Å; Q128-M223 HydrophobicContact CB-SD 4.28Å; Q128-M223 HydrophobicContact CG-SD 3.73Å; Q128-P298 WeakPolarHBondContact O-CD 3.14Å
129T94.8Very high92.6Very high10 Ų1025.4 Ų25.46%0.06114%0.14CC..EExtended strand (participates in β ladder)trans-116.7139.4170.3-63.50000109.4I131 T222 P225 V295 I296 R297T129-I131 HydrophobicContact CG2-CG1 4.2Å; T129-T222 PolarHBondContact N-O 2.94Å; T129-T222 PolarHBondContact O-N 3.33Å; T129-P225 HydrophobicContact CG2-CB 3.7Å; T129-P225 HydrophobicContact CG2-CG 4.24Å; T129-V295 HydrophobicContact CG2-CG1 3.56Å; T129-I296 WeakPolarHBondContact CA-O 3.47Å; T129-I296 WeakPolarHBondContact CG2-O 3.39Å; T129-R297 HydrophobicContact CG2-CG 4.34Å
130D97.1Very high92Very high9 Ų931.8 Ų31.85%0.04816%0.159CC..EExtended strand (participates in β ladder)trans-105.4120.6174-160.9-94.4000109.2L125 R132 I220 H221 I296 L512L125-D130 HydrophobicContact CD1-CB 4.3Å; L125-D130 HydrophobicContact CD2-CB 4.33Å; D130-R132 IonicContact OD1-CZ 3.76Å; D130-R132 IonicContact OD1-NE 2.84Å; D130-R132 PolarHBondContact OD1-NE 3.31Å; D130-R132 IonicContact OD1-NH2 2.75Å; D130-I220 CarbonylContact C-O 3.52Å; D130-I220 WeakPolarHBondContact CA-O 3.28Å; D130-H221 IonicContact OD2-ND1 3.74Å; D130-H221 PolarHBondContact OD2-ND1 2.96Å; D130-I296 HydrophobicContact CB-CB 4.17Å; D130-I296 HydrophobicContact CB-CD1 4.47Å; D130-I296 PolarHBondContact N-O 3.21Å; D130-I296 PolarHBondContact O-N 3.38Å; D130-L512 HydrophobicContact CB-CD1 4.04Å
131I97.3Very high91.7Very high0 Ų032.8 Ų32.80%017%0.166CC..EExtended strand (participates in β ladder)trans-110.2118.1179.4-42.2-171.1000108.3T129 L133 I220 T222 P225 L228 F263 L294 V295T129-I131 HydrophobicContact CG2-CG1 4.2Å; I131-L133 HydrophobicContact CG2-CD2 4.04Å; I131-L133 HydrophobicContact CG2-CG 4.4Å; I131-I220 HydrophobicContact CB-CB 4.19Å; I131-I220 PolarHBondContact N-O 3.37Å; I131-I220 PolarHBondContact O-N 3.02Å; I131-T222 HydrophobicContact CD1-CG2 4.24Å; I131-T222 HydrophobicContact CG1-CG2 4.45Å; I131-P225 HydrophobicContact CD1-CB 4.24Å; I131-L228 HydrophobicContact CD1-CD1 4.41Å; I131-F263 HydrophobicContact CD1-CD2 4.39Å; I131-F263 HydrophobicContact CD1-CE2 4.14Å; I131-F263 HydrophobicContact CG2-CD2 4.47Å; I131-F263 HydrophobicContact CG2-CE2 3.78Å; I131-F263 HydrophobicContact CG2-CZ 4.2Å; I131-L294 CarbonylContact C-O 3.44Å; I131-L294 WeakPolarHBondContact CA-O 3.13Å; I131-V295 HydrophobicContact CG1-CG1 4.08Å; I131-V295 HydrophobicContact CG2-CG2 4.46Å
132R97.3Very high91.6Very high17 Ų1732.5 Ų32.56%0.06417%0.165CC..EExtended strand (participates in β ladder)trans-101.7127.1174.8-59.3-71.4174.5134.12.8109.2D130 E217 Y218 S219 Y293 L294 I296 E551D130-R132 IonicContact OD1-CZ 3.76Å; D130-R132 IonicContact OD1-NE 2.84Å; D130-R132 PolarHBondContact OD1-NE 3.31Å; D130-R132 IonicContact OD1-NH2 2.75Å; R132-E217 IonicContact CZ-OE1 3.95Å; R132-E217 IonicContact NH1-OE1 3.95Å; R132-E217 PolarHBondContact NH1-OE1 3.1Å; R132-Y218 CarbonylContact C-O 3.48Å; R132-Y218 VanDerWaalsContact CA-O 3.31Å; R132-Y218 WeakPolarHBondContact CA-O 3.27Å; R132-S219 WeakPolarHBondContact CD-OG 3.41Å; R132-S219 PolarHBondContact NE-OG 2.93Å; R132-S219 PolarHBondContact NH1-OG 2.71Å; R132-Y293 CarbonylContact O-C 3.56Å; R132-Y293 WeakPolarHBondContact O-CA 3.21Å; R132-L294 HydrophobicContact CB-CB 4.24Å; R132-L294 PolarHBondContact N-O 3.04Å; R132-L294 PolarHBondContact O-N 3.09Å; R132-I296 HydrophobicContact CG-CD1 4.49Å; R132-E551 IonicContact CZ-OE1 3.85Å; R132-E551 IonicContact CZ-OE2 3.22Å; R132-E551 IonicContact NH1-OE1 3.24Å; R132-E551 PolarHBondContact NH1-OE1 3.4Å; R132-E551 IonicContact NH1-OE2 3.25Å; R132-E551 IonicContact NH2-OE1 2.68Å; R132-E551 IonicContact NH2-OE2 2.66Å; R132-E551 PolarHBondContact NH2-OE2 3.41Å
133L97.3Very high91.6Very high0 Ų030.5 Ų30.50%015%0.15CC..EExtended strand (participates in β ladder)trans-121.3133.9175.1-52.3172.2000109.3I131 L159 E217 Y218 I220 L230 F232 L258 F263 V291 D292I131-L133 HydrophobicContact CG2-CD2 4.04Å; I131-L133 HydrophobicContact CG2-CG 4.4Å; L133-L159 HydrophobicContact CD1-CD2 4.05Å; L133-E217 CarbonylContact O-C 3.57Å; L133-E217 VanDerWaalsContact O-CA 3.29Å; L133-E217 WeakPolarHBondContact O-CA 3.26Å; L133-Y218 HydrophobicContact CB-CD2 4.3Å; L133-Y218 PolarHBondContact N-O 3.03Å; L133-Y218 PolarHBondContact O-N 3.03Å; L133-I220 HydrophobicContact CD1-CD1 3.84Å; L133-L230 HydrophobicContact CD1-CD1 3.84Å; L133-F232 HydrophobicContact CD1-CZ 4.04Å; L133-L258 HydrophobicContact CD2-CD2 4.32Å; L133-F263 HydrophobicContact CD2-CZ 3.97Å; L133-V291 HydrophobicContact CB-CG1 3.9Å; L133-V291 HydrophobicContact CD2-CG1 4.3Å; L133-D292 CarbonylContact C-O 3.59Å; L133-D292 WeakPolarHBondContact CA-O 3.44Å
134R95.6Very high91.6Very high17 Ų1732.1 Ų32.16%0.06416%0.159CC..EExtended strand (participates in β ladder)trans-127.6133.6-175.9-57.8173.3-176.1123.59.8112.4T216 E217 D292 D505R134-T216 WeakPolarHBondContact CA-O 3.45Å; R134-E217 HydrophobicContact CG-CB 4.1Å; R134-E217 HydrophobicContact CG-CG 3.96Å; R134-E217 IonicContact CZ-OE2 2.66Å; R134-E217 VanDerWaalsContact CZ-OE2 3.24Å; R134-E217 IonicContact NE-OE2 3.03Å; R134-E217 PolarHBondContact NE-OE2 3.38Å; R134-E217 IonicContact NH2-OE2 3.37Å; R134-E217 PolarHBondContact NH2-OE2 3.09Å; R134-D292 HydrophobicContact CB-CB 4.24Å; R134-D292 PolarHBondContact N-O 2.92Å; R134-D292 PolarHBondContact O-N 3.18Å; R134-D505 IonicContact CZ-OD1 2.68Å; R134-D505 IonicContact CZ-OD2 2.88Å; R134-D505 IonicContact NH1-OD1 3.77Å; R134-D505 PolarHBondContact NH1-OD1 2.91Å; R134-D505 IonicContact NH1-OD2 3.38Å; R134-D505 PolarHBondContact NH1-OD2 2.83Å; R134-D505 IonicContact NH2-OD1 3.48Å; R134-D505 PolarHBondContact NH2-OD1 2.82Å; R134-D505 IonicContact NH2-OD2 2.75Å
135L95.3Very high91.5Very high1 Ų133 Ų331%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-112109.2169-60.6178.1000108.2I157 T216 Y218 F232 V289 V291L135-I157 HydrophobicContact CD1-CB 4.27Å; L135-I157 HydrophobicContact CD1-CD1 3.74Å; L135-I157 HydrophobicContact CD1-CG2 3.86Å; L135-T216 PolarHBondContact N-O 3.27Å; L135-T216 PolarHBondContact O-N 3.28Å; L135-Y218 HydrophobicContact CD1-CE2 3.84Å; L135-Y218 HydrophobicContact CG-CE2 4.17Å; L135-F232 HydrophobicContact CD1-CD1 4.3Å; L135-F232 HydrophobicContact CD1-CE1 4.23Å; L135-V289 HydrophobicContact CD2-CG2 3.8Å; L135-V291 HydrophobicContact CD2-CB 4.42Å; L135-V291 HydrophobicContact CD2-CG1 4.39Å; L135-V291 HydrophobicContact CD2-CG2 3.89Å
136H91Very high91.3Very high16 Ų1637.4 Ų37.47%0.07419%0.192CC..  trans-148.2158.9-178.56787.3000113.9S138 P142 W215 D292H136-S138 PolarHBondContact O-N 3.2Å; H136-P142 WeakPolarHBondContact O-CB 3.18Å; H136-P142 VanDerWaalsContact O-CD 3.24Å; H136-P142 WeakPolarHBondContact O-CD 3.48Å; H136-P142 WeakPolarHBondContact O-CG 3.15Å; H136-W215 HydrophobicContact CB-CB 3.99Å; H136-W215 HydrophobicContact CB-CD2 3.6Å; H136-W215 HydrophobicContact CB-CE3 4.43Å; H136-W215 HydrophobicContact CB-CG 3.37Å; H136-W215 HydrophobicContact CB-CZ2 4.39Å; H136-W215 AromaticContact CG-CD2 3.98Å; H136-W215 AromaticContact CG-CE2 3.79Å; H136-W215 AromaticContact ND1-CE2 3.98Å; H136-W215 AromaticContact ND1-CZ2 3.92Å; H136-D292 IonicContact CD2-OD2 2.79Å; H136-D292 IonicContact CE1-OD2 2.9Å; H136-D292 PolarHBondContact CE1-OD2 2.85Å; H136-D292 IonicContact NE2-OD2 3.28Å; H136-D292 PolarHBondContact NE2-OD2 3.41Å
137F85.3Confident91Very high62 Ų6239.9 Ų39.927%0.27220%0.201SC..  trans-89.2100.7175.3-68.2-105.7000109.2P141 P142 L210 E211 P212F137-P141 HydrophobicContact CD1-CB 3.79Å; F137-P141 HydrophobicContact CE1-CB 3.7Å; F137-P142 HydrophobicContact CD2-CG 4.3Å; F137-P142 HydrophobicContact CE2-CG 4.26Å; F137-L210 HydrophobicContact CE2-CD1 3.79Å; F137-L210 HydrophobicContact CE2-CD2 4.27Å; F137-L210 HydrophobicContact CE2-CG 3.65Å; F137-L210 HydrophobicContact CZ-CD1 4.4Å; F137-L210 HydrophobicContact CZ-CD2 4.04Å; F137-L210 HydrophobicContact CZ-CG 3.81Å; F137-E211 WeakPolarHBondContact CD2-O 3.37Å; F137-E211 WeakPolarHBondContact CE2-O 3.39Å; F137-P212 HydrophobicContact CD1-CB 4.36Å; F137-P212 HydrophobicContact CD1-CG 4.45Å; F137-P212 VanDerWaalsContact CD2-CA 3.42Å; F137-P212 HydrophobicContact CD2-CB 4.48Å; F137-P212 HydrophobicContact CE1-CB 4.49Å; F137-P212 HydrophobicContact CE1-CG 4.11Å; F137-P212 HydrophobicContact CE2-CG 4.47Å; F137-P212 HydrophobicContact CG-CB 4.35Å; F137-P212 HydrophobicContact CZ-CG 4.12Å
138S77.1Confident90.8Very high36 Ų3647.8 Ų47.825%0.25223%0.232SC..SBendtrans-96.4-145168.850.80000109.7H136 R140 R290H136-S138 PolarHBondContact O-N 3.2Å; S138-R140 PolarHBondContact N-O 3.08Å; S138-R140 PolarHBondContact O-N 3.16Å; S138-R290 PolarHBondContact OG-NH1 3.22Å
139K73.9Confident90.4Very high139 Ų13955 Ų5560%0.60426%0.264SS*.SBendtrans-52.4-22.5170.3-71.8-171.9173-177.70113.6D464 G465 M534K139-D464 WeakPolarHBondContact CE-O 3.25Å; K139-D464 PolarHBondContact NZ-O 2.54Å; K139-G465 VanDerWaalsContact NZ-CA 3.32Å; K139-M534 HydrophobicContact CG-CE 4.18Å
140R81.5Confident90Very high171 Ų17156.2 Ų56.265%0.64527%0.267SS*.SBendtrans-133146177.1-62.6179.7-178.7169.70.7109.4S138S138-R140 PolarHBondContact N-O 3.08Å; S138-R140 PolarHBondContact O-N 3.16Å
141P88.9Confident89.3Confident65 Ų6563.4 Ų63.442%0.42230%0.298SS..  trans-60.8148.8171.928-35000110.3F137 V143F137-P141 HydrophobicContact CD1-CB 3.79Å; F137-P141 HydrophobicContact CE1-CB 3.7Å; P141-V143 VanDerWaalsContact C-N 3.25Å; P141-V143 PolarHBondContact O-N 3.3Å
142P93.6Very high88.7Confident3 Ų373.3 Ų73.32%0.01934%0.341CS..SBendtrans-70.2-27.4-178.927-29.9000110.9H136 F137 L210 V289 R290H136-P142 WeakPolarHBondContact O-CB 3.18Å; H136-P142 VanDerWaalsContact O-CD 3.24Å; H136-P142 WeakPolarHBondContact O-CD 3.48Å; H136-P142 WeakPolarHBondContact O-CG 3.15Å; F137-P142 HydrophobicContact CD2-CG 4.3Å; F137-P142 HydrophobicContact CE2-CG 4.26Å; P142-L210 HydrophobicContact CG-CD1 3.67Å; P142-L210 HydrophobicContact CG-CD2 3.98Å; P142-L210 HydrophobicContact CG-CG 4.33Å; P142-V289 CarbonylContact O-C 3.36Å; P142-V289 VanDerWaalsContact O-CA 3.28Å; P142-V289 WeakPolarHBondContact O-CA 2.91Å; P142-R290 PolarHBondContact O-N 3.33Å
143V94.5Very high88.1Confident16 Ų1673.7 Ų73.710%0.09735%0.346CS..EExtended strand (participates in β ladder)trans-111.3132.2176.21780000110.7P141 I145 F155 I157 L210 F234 I277 V289P141-V143 VanDerWaalsContact C-N 3.25Å; P141-V143 PolarHBondContact O-N 3.3Å; V143-I145 HydrophobicContact CG1-CD1 3.86Å; V143-I145 HydrophobicContact CG1-CG1 4.26Å; V143-F155 HydrophobicContact CG1-CD2 4.37Å; V143-I157 HydrophobicContact CG2-CD1 3.98Å; V143-L210 HydrophobicContact CB-CD2 3.88Å; V143-L210 HydrophobicContact CG2-CD2 3.62Å; V143-F234 HydrophobicContact CG1-CE1 4.49Å; V143-F234 HydrophobicContact CG2-CE1 3.76Å; V143-I277 HydrophobicContact CG1-CD1 3.9Å; V143-V289 HydrophobicContact CG2-CB 4.38Å; V143-V289 HydrophobicContact CG2-CG2 4.01Å
144S93.9Very high87.6Confident49 Ų4979.3 Ų79.334%0.34337%0.367SS..EExtended strand (participates in β ladder)trans-129.1110.71771700000110.7G287 K288S144-G287 CarbonylContact O-C 3.56Å; S144-G287 WeakPolarHBondContact O-CA 3.46Å; S144-K288 PolarHBondContact N-O 3.5Å; S144-K288 PolarHBondContact O-N 2.94Å
145I93.8Very high87.4Confident30 Ų3079.1 Ų79.115%0.15437%0.367CS..EExtended strand (participates in β ladder)trans-91.1131.6-179.3-59.8-54.7000111.8V143 K147 F155 I277V143-I145 HydrophobicContact CG1-CD1 3.86Å; V143-I145 HydrophobicContact CG1-CG1 4.26Å; I145-K147 WeakPolarHBondContact CG2-O 3.3Å; I145-F155 HydrophobicContact CD1-CE2 3.76Å; I145-F155 HydrophobicContact CD1-CZ 3.73Å; I145-F155 HydrophobicContact CG1-CE2 3.48Å; I145-F155 VanDerWaalsContact CG1-CE2 3.48Å; I145-F155 HydrophobicContact CG1-CZ 3.73Å; I145-I277 HydrophobicContact CD1-CD1 4.31Å
146T91.1Very high87.2Confident95 Ų9582.2 Ų82.258%0.58338%0.379SS*.  trans-102.7-27.217857.60000112.7I286T146-I286 PolarHBondContact N-O 3.32Å; T146-I286 PolarHBondContact OG1-O 3.5Å
147K88.2Confident87.4Confident71 Ų7181.6 Ų81.631%0.30938%0.376SS..SBendtrans-76.6127.7-179.7-66.2-70.7-175175.70111.4I145 K149 Y150 K151 T285 I286I145-K147 WeakPolarHBondContact CG2-O 3.3Å; K147-K149 VanDerWaalsContact C-N 3.25Å; K147-K149 PolarHBondContact O-N 2.82Å; K147-Y150 HydrophobicContact CB-CD2 4.16Å; K147-Y150 PolarHBondContact O-N 3.03Å; K147-Y150 VanDerWaalsContact O-N 3.1Å; K147-K151 PolarHBondContact O-N 3.18Å; K147-T285 WeakPolarHBondContact CE-O 3.45Å; K147-I286 HydrophobicContact CG-CB 4.05Å; K147-I286 HydrophobicContact CG-CG2 4.15Å; K147-I286 PolarHBondContact N-O 2.9Å
148K86.6Confident87.9Confident194 Ų19480.6 Ų80.684%0.84337%0.371SS*.G310 helixtrans-53.3-39.1-178-70.2-176179.7178.90113.5Y150 K151K148-Y150 VanDerWaalsContact C-N 3.26Å; K148-Y150 PolarHBondContact O-N 2.99Å; K148-K151 WeakPolarHBondContact O-CB 3.05Å; K148-K151 PolarHBondContact O-N 3Å
149K84.7Confident88.8Confident155 Ų15578.9 Ų78.967%0.67436%0.359SS*.G310 helixtrans-53.2-44.4179.2-178.9-175.6170.9-163.10111.9K147K147-K149 VanDerWaalsContact C-N 3.25Å; K147-K149 PolarHBondContact O-N 2.82Å
150Y85.9Confident89.7Confident35 Ų3573.7 Ų73.714%0.13734%0.339CS..G310 helixtrans-98.85.9-170.8-58.4-57.8000113.6K147 K148 K152 S153 V253 I286K147-Y150 HydrophobicContact CB-CD2 4.16Å; K147-Y150 PolarHBondContact O-N 3.03Å; K147-Y150 VanDerWaalsContact O-N 3.1Å; K148-Y150 VanDerWaalsContact C-N 3.26Å; K148-Y150 PolarHBondContact O-N 2.99Å; Y150-K152 PolarHBondContact O-N 3.41Å; Y150-S153 WeakPolarHBondContact CA-OG 3.04Å; Y150-S153 WeakPolarHBondContact O-CB 3.38Å; Y150-S153 PolarHBondContact O-N 2.65Å; Y150-S153 VanDerWaalsContact O-N 3.16Å; Y150-S153 PolarHBondContact O-OG 3.14Å; Y150-V253 HydrophobicContact CD1-CG1 4.29Å; Y150-V253 HydrophobicContact CE1-CB 4.39Å; Y150-V253 HydrophobicContact CE1-CG1 3.79Å; Y150-I286 HydrophobicContact CD2-CB 4.18Å; Y150-I286 HydrophobicContact CD2-CD1 4.31Å; Y150-I286 HydrophobicContact CD2-CG2 4.26Å; Y150-I286 HydrophobicContact CE2-CB 4.4Å; Y150-I286 HydrophobicContact CE2-CD1 4.39Å; Y150-I286 HydrophobicContact CE2-CG2 3.99Å
151K83.4Confident90.1Very high160 Ų16068 Ų6870%0.69632%0.321SS*.THydrogen-bonded Turntrans-68.2-21.7-169.6-167.8168.9-176.7177.20113.7K147 K148K147-K151 PolarHBondContact O-N 3.18Å; K148-K151 WeakPolarHBondContact O-CB 3.05Å; K148-K151 PolarHBondContact O-N 3Å
152K83.7Confident89.9Confident208 Ų20870.7 Ų70.790%0.90433%0.328SS*.THydrogen-bonded Turntrans-107.8-2.2176.6-64-174.3178.4-176.20112.9Y150Y150-K152 PolarHBondContact O-N 3.41Å
153S84.9Confident88.9Confident24 Ų2473.1 Ų73.117%0.16835%0.354CS..  trans-71.5146.7-178.1-53.20000110.1Y150 E236Y150-S153 WeakPolarHBondContact CA-OG 3.04Å; Y150-S153 WeakPolarHBondContact O-CB 3.38Å; Y150-S153 PolarHBondContact O-N 2.65Å; Y150-S153 VanDerWaalsContact O-N 3.16Å; Y150-S153 PolarHBondContact O-OG 3.14Å; S153-E236 VanDerWaalsContact CB-OE1 3.25Å; S153-E236 WeakPolarHBondContact CB-OE1 3.23Å; S153-E236 PolarHBondContact OG-OE1 3.45Å
154R87.2Confident87.3Confident119 Ų11975.9 Ų75.945%0.44937%0.367SS..  trans-98.7152.4165.7-70.5171.651.2167.7-4.3108.4E237R154-E237 HydrophobicContact CB-CB 3.95Å; R154-E237 VanDerWaalsContact CB-OE2 3.26Å; R154-E237 WeakPolarHBondContact CB-OE2 3.26Å; R154-E237 IonicContact CZ-OE2 3.08Å; R154-E237 IonicContact NE-OE2 3.15Å; R154-E237 PolarHBondContact NE-OE2 3.47Å; R154-E237 IonicContact NH2-OE1 2.78Å; R154-E237 PolarHBondContact NH2-OE1 2.92Å; R154-E237 IonicContact NH2-OE2 3.88Å; R154-E237 PolarHBondContact NH2-OE2 2.93Å; R154-E237 PolarHBondContact O-N 3.31Å
155F90.4Very high85.4Confident13 Ų1382.4 Ų82.46%0.05739%0.392CS..EExtended strand (participates in β ladder)trans-123.6144.4-175.1-60-77.5000112.2V143 I145 L210 F235 V253V143-F155 HydrophobicContact CG1-CD2 4.37Å; I145-F155 HydrophobicContact CD1-CE2 3.76Å; I145-F155 HydrophobicContact CD1-CZ 3.73Å; I145-F155 HydrophobicContact CG1-CE2 3.48Å; I145-F155 VanDerWaalsContact CG1-CE2 3.48Å; I145-F155 HydrophobicContact CG1-CZ 3.73Å; F155-L210 WeakPolarHBondContact O-CB 3.4Å; F155-L210 PolarHBondContact O-N 3.3Å; F155-F235 CarbonylContact C-O 3.53Å; F155-F235 VanDerWaalsContact CA-O 3.23Å; F155-F235 WeakPolarHBondContact CA-O 3.21Å; F155-V253 HydrophobicContact CD1-CG2 4.02Å; F155-V253 HydrophobicContact CE1-CG2 3.78Å
156R92.6Very high83.3Confident66 Ų6687.2 Ų87.225%0.24941%0.414CS..EExtended strand (participates in β ladder)trans-105.9144.9160.1-48.7176.664.191.8-3.3108.8C206 G207 Y208 A209 F235 E237R156-C206 WeakPolarHBondContact CB-O 3.44Å; R156-G207 VanDerWaalsContact CZ-O 3.28Å; R156-G207 PolarHBondContact NE-O 2.89Å; R156-G207 VanDerWaalsContact NE-O 3.17Å; R156-G207 PolarHBondContact NH2-O 3.29Å; R156-Y208 CarbonylContact C-O 3.58Å; R156-Y208 WeakPolarHBondContact CA-O 3.44Å; R156-A209 HydrophobicContact CG-CB 4.39Å; R156-F235 HydrophobicContact CB-CB 4.32Å; R156-F235 PolarHBondContact N-O 3.15Å; R156-F235 PolarHBondContact O-N 2.91Å; R156-E237 HydrophobicContact CG-CB 4.27Å; R156-E237 HydrophobicContact CG-CG 4.35Å
157I94.4Very high80.9Confident3 Ų392 Ų922%0.01543%0.43CS..EExtended strand (participates in β ladder)trans-127.7125.3-173.5-53.4173.3000109L135 V143 G207 Y208 L210 F232 E233 F234L135-I157 HydrophobicContact CD1-CB 4.27Å; L135-I157 HydrophobicContact CD1-CD1 3.74Å; L135-I157 HydrophobicContact CD1-CG2 3.86Å; V143-I157 HydrophobicContact CG2-CD1 3.98Å; I157-G207 CarbonylContact O-C 3.51Å; I157-G207 VanDerWaalsContact O-CA 3.26Å; I157-G207 WeakPolarHBondContact O-CA 3.44Å; I157-Y208 PolarHBondContact N-O 3.13Å; I157-Y208 PolarHBondContact O-N 3.22Å; I157-L210 HydrophobicContact CD1-CB 4.31Å; I157-L210 HydrophobicContact CD1-CD1 4.32Å; I157-L210 HydrophobicContact CD1-CD2 4.28Å; I157-F232 HydrophobicContact CG2-CB 4.35Å; I157-F232 HydrophobicContact CG2-CD1 4Å; I157-E233 WeakPolarHBondContact CA-O 3.41Å; I157-F234 HydrophobicContact CD1-CD1 4.2Å; I157-F234 HydrophobicContact CD1-CE1 3.72Å; I157-F234 HydrophobicContact CG1-CD1 3.93Å; I157-F234 HydrophobicContact CG1-CE1 3.91Å
158K94.9Very high78.8Confident41 Ų4195.6 Ų95.618%0.17845%0.448CS..EExtended strand (participates in β ladder)trans-110.7137172.9176.1173.9164.4-130.80108.4T160 Q203 E205 F232 E233 F235K158-T160 HydrophobicContact CD-CG2 4.42Å; K158-T160 HydrophobicContact CG-CG2 4.32Å; K158-Q203 HydrophobicContact CG-CG 4.42Å; K158-E205 WeakPolarHBondContact CD-O 3.42Å; K158-F232 CarbonylContact O-C 3.51Å; K158-F232 WeakPolarHBondContact O-CA 3.35Å; K158-E233 HydrophobicContact CB-CB 4.33Å; K158-E233 WeakPolarHBondContact CD-OE2 3.39Å; K158-E233 WeakPolarHBondContact CE-OE2 3.44Å; K158-E233 PolarHBondContact N-O 2.84Å; K158-E233 IonicContact NZ-OE2 3.83Å; K158-E233 PolarHBondContact NZ-OE2 2.98Å; K158-E233 PolarHBondContact O-N 2.68Å; K158-F235 HydrophobicContact CB-CE2 3.98Å
159L96.3Very high76.4Confident0 Ų095 Ų950%045%0.448CS..EExtended strand (participates in β ladder)trans-105.4122.1171.4177.263.2000109.1L133 L187 Q203 Y218 I220 L230 T231 F232L133-L159 HydrophobicContact CD1-CD2 4.05Å; L159-L187 HydrophobicContact CD2-CD1 4.07Å; L159-Q203 PolarHBondContact O-NE2 3.23Å; L159-Y218 HydrophobicContact CB-CD1 3.76Å; L159-Y218 HydrophobicContact CB-CE1 3.52Å; L159-Y218 HydrophobicContact CB-CE2 4.48Å; L159-Y218 HydrophobicContact CB-CG 4.34Å; L159-Y218 HydrophobicContact CD2-CD1 3.58Å; L159-Y218 HydrophobicContact CD2-CD2 4Å; L159-Y218 HydrophobicContact CD2-CE1 4.2Å; L159-Y218 HydrophobicContact CD2-CG 3.46Å; L159-Y218 VanDerWaalsContact CD2-CG 3.46Å; L159-Y218 HydrophobicContact CG-CD1 4.32Å; L159-I220 HydrophobicContact CD2-CD1 4.3Å; L159-L230 HydrophobicContact CD1-CB 4.21Å; L159-T231 WeakPolarHBondContact CA-O 3.34Å; L159-F232 HydrophobicContact CB-CE1 4.48Å; L159-F232 HydrophobicContact CD1-CD1 4.01Å; L159-F232 HydrophobicContact CD1-CD2 4.2Å; L159-F232 HydrophobicContact CD1-CE1 3.84Å; L159-F232 HydrophobicContact CD1-CE2 4.03Å; L159-F232 HydrophobicContact CD1-CG 4.2Å; L159-F232 HydrophobicContact CD1-CZ 3.85Å; L159-F232 HydrophobicContact CD2-CE1 4.49Å; L159-F232 HydrophobicContact CG-CE1 4.5Å
160T93.3Very high74.1Confident30 Ų3096.9 Ų96.918%0.18446%0.459CS..EExtended strand (participates in β ladder)trans-108.1152.3166.955.70000109.8K158 T231K158-T160 HydrophobicContact CD-CG2 4.42Å; K158-T160 HydrophobicContact CG-CG2 4.32Å; T160-T231 PolarHBondContact N-O 2.84Å; T160-T231 PolarHBondContact O-N 3.32Å; T160-T231 WeakPolarHBondContact OG1-CB 3.43Å; T160-T231 PolarHBondContact OG1-O 3.44Å
161L90.8Very high71.8Confident51 Ų51102.3 Ų102.327%0.26749%0.486SS..EExtended strand (participates in β ladder)trans-125.6131.8175.559.898.1000108.4T185 L187 E229 L230L161-T185 HydrophobicContact CD1-CG2 3.87Å; L161-T185 HydrophobicContact CD2-CG2 4.31Å; L161-L187 HydrophobicContact CD2-CB 3.57Å; L161-L187 HydrophobicContact CD2-CD2 4.12Å; L161-L187 HydrophobicContact CD2-CG 4.33Å; L161-E229 WeakPolarHBondContact CA-O 3.34Å; L161-L230 HydrophobicContact CB-CD2 4.02Å
162E84.6Confident69.7Low122 Ų122104.4 Ų104.457%0.5750%0.498SS*.EExtended strand (participates in β ladder)trans-126.4131.8174-68179-171.500107.3E229E162-E229 PolarHBondContact N-O 2.79Å; E162-E229 PolarHBondContact O-N 3.35Å
163G72.8Confident67.5Low53 Ų53101.1 Ų101.155%0.54649%0.486SS..EExtended strand (participates in β ladder)trans-72137.2169.100000108.2E165G163-E165 PolarHBondContact O-N 2.9Å
164I60.3Low65.2Low74 Ų74108.5 Ų108.538%0.37952%0.518SS..  trans-69.6119.8173.9-53.5174.8000106.5E166 N227I164-E166 PolarHBondContact O-N 2.91Å; I164-N227 VanDerWaalsContact CB-OD1 3.31Å; I164-N227 WeakPolarHBondContact CB-OD1 3.13Å; I164-N227 PolarHBondContact N-O 3.07Å; I164-N227 PolarHBondContact O-ND2 3.2Å; I164-N227 VanDerWaalsContact O-ND2 3.16Å
165E53.3Low62.7Low186 Ų186110.5 Ų110.587%0.86954%0.536SS*.  trans-58.5106.6171.2-70178.7173.800107.6G163 E167G163-E165 PolarHBondContact O-N 2.9Å; E165-E167 PolarHBondContact O-N 2.99Å
166E51.1Low59.9Low132 Ų132113 Ų11362%0.61755%0.553SS**  trans-66.2130.3160-67.1-176.9176.100105.4I164 E168I164-E166 PolarHBondContact O-N 2.91Å; E166-E168 PolarHBondContact O-N 3.4Å
167E40Very low57.4Low196 Ų196114.8 Ų114.892%0.91657%0.573SS**  trans-61.279.9170.9-69.7-179.5173.800108E165 E169E165-E167 PolarHBondContact O-N 2.99Å; E167-E169 PolarHBondContact O-N 2.86Å; E167-E169 VanDerWaalsContact O-N 3.14Å
168E43.4Very low54.7Low145 Ų145117.5 Ų117.568%0.67859%0.592SS**  trans-63.6112162.1-70.5-173.2178.500104.4E166 E170E166-E168 PolarHBondContact O-N 3.4Å; E168-E170 PolarHBondContact O-N 3.17Å
169E36.5Very low52Low181 Ų181118.4 Ų118.485%0.84660%0.604SS**  trans-44.4117.6173.4-70.7-178.8161.700107.7E167 E171E167-E169 PolarHBondContact O-N 2.86Å; E167-E169 VanDerWaalsContact O-N 3.14Å; E169-E171 PolarHBondContact O-N 2.82Å
170E36.2Very low49.4Very low196 Ų196127.2 Ų127.292%0.91664%0.637SS**  trans-60.876.1-179.3-67.4179.8161.900110.4E168E168-E170 PolarHBondContact O-N 3.17Å
171E37.5Very low47.4Very low149 Ų149129.6 Ų129.670%0.69665%0.646SS**  trans-89.3112.1151.5-73.7-164.9167.800106.3E169 Q173E169-E171 PolarHBondContact O-N 2.82Å; E171-Q173 PolarHBondContact O-N 2.99Å
172E40.5Very low45.9Very low203 Ų203134.4 Ų134.495%0.94967%0.665SS**  trans-50.380.3167.8-68.8179.4151.300110.4
173Q36.2Very low45.3Very low139 Ų139130.2 Ų130.265%0.6565%0.645SS**  trans-97.1108.2167.5-70.5-171.61700106.8E171 L175E171-Q173 PolarHBondContact O-N 2.99Å; Q173-L175 PolarHBondContact O-N 3.15Å
174E36.1Very low45.5Very low180 Ų180133.1 Ų133.184%0.84165%0.653SS**  trans-34.4130.4163-64.2-174.7150.300109.7T176E174-T176 VanDerWaalsContact C-N 3.31Å; E174-T176 PolarHBondContact O-N 2.85Å
175L36.2Very low46.8Very low160 Ų160131.3 Ų131.384%0.83865%0.645SS**  trans-40.691.8177.5-75.3156.3000111.3Q173Q173-L175 PolarHBondContact O-N 3.15Å
176T30.9Very low48.6Very low67 Ų67125.9 Ų125.941%0.41163%0.625SS.*  trans-75149.8174.8440000107.9E174 S178 S179E174-T176 VanDerWaalsContact C-N 3.31Å; E174-T176 PolarHBondContact O-N 2.85Å; T176-S178 PolarHBondContact O-N 3.42Å; T176-S178 PolarHBondContact OG1-OG 3.29Å; T176-S179 PolarHBondContact O-N 3.23Å; T176-S179 PolarHBondContact O-OG 2.83Å
177P40Very low50.6Low103 Ų103121.2 Ų121.267%0.66960%0.604SS**G310 helixtrans-56.8-14.4179.9-23.532.7000114.4S179 W180P177-S179 VanDerWaalsContact C-N 3.27Å; P177-S179 PolarHBondContact O-N 3.36Å; P177-W180 WeakPolarHBondContact O-CB 3.49Å; P177-W180 PolarHBondContact O-N 2.72Å
178S38.8Very low53.2Low60 Ų60114.5 Ų114.542%0.4257%0.573SS.*G310 helixtrans-66.5-21.6178.2530000114.1T176 W180 H181T176-S178 PolarHBondContact O-N 3.42Å; T176-S178 PolarHBondContact OG1-OG 3.29Å; S178-W180 PolarHBondContact O-N 2.94Å; S178-H181 PolarHBondContact O-N 3Å
179S37.6Very low55.6Low60 Ų60107.8 Ų107.842%0.4254%0.541SS..G310 helixtrans-66.5-1317455.70000113.7T176 P177 H181T176-S179 PolarHBondContact O-N 3.23Å; T176-S179 PolarHBondContact O-OG 2.83Å; P177-S179 VanDerWaalsContact C-N 3.27Å; P177-S179 PolarHBondContact O-N 3.36Å; S179-H181 VanDerWaalsContact C-N 3.34Å
180W42Very low58.5Low184 Ų18499.1 Ų99.170%0.69750%0.501SS*.G310 helixtrans-88.40.9-176.7-67.148.6000113.5P177 S178P177-W180 WeakPolarHBondContact O-CB 3.49Å; P177-W180 PolarHBondContact O-N 2.72Å; S178-W180 PolarHBondContact O-N 2.94Å
181H51.4Low61.2Low81 Ų8190.7 Ų90.738%0.37546%0.462SS..G310 helixtrans-108.921.5-174.9-62.3-54.1000113.9L72 S178 S179L72-H181 WeakPolarHBondContact CD2-O 3.23Å; S178-H181 PolarHBondContact O-N 3Å; S179-H181 VanDerWaalsContact C-N 3.34Å
182K58.8Low63.9Low151 Ų15183.6 Ų83.666%0.65743%0.429SS*.SBendtrans-102.9129.3171.2-70.3-176.8-178.8176.80109.9T184K182-T184 PolarHBondContact O-N 2.96Å
183M71.3Confident66.4Low34 Ų3475.9 Ų75.917%0.16740%0.396CS..PPolyproline II helixtrans-62.8131.1170.2-175.9-166.5176.800109.2I84 Q128 T186 H221 M223I84-M183 HydrophobicContact CD1-CB 3.64Å; I84-M183 HydrophobicContact CD1-CG 3.86Å; I84-M183 HydrophobicContact CD1-SD 3.39Å; I84-M183 WeakPolarHBondContact CD1-SD 3.39Å; Q128-M183 HydrophobicContact CG-SD 4.05Å; M183-T186 HydrophobicContact CE-CG2 4.39Å; M183-H221 WeakPolarHBondContact CE-CD2 3.5Å; M183-M223 HydrophobicContact CB-CG 4.07Å; M183-M223 HydrophobicContact SD-CG 4.44Å
184T77.6Confident68.7Low115 Ų11571.1 Ų71.171%0.70638%0.38SS*.PPolyproline II helixtrans-75.2131.1171.5-48.60000110.3K182 T186K182-T184 PolarHBondContact O-N 2.96Å; T184-T186 WeakPolarHBondContact O-CG2 3.39Å; T184-T186 PolarHBondContact O-N 3.02Å
185T87.6Confident71Confident35 Ų3567.5 Ų67.522%0.21537%0.366CS..PPolyproline II helixtrans-56.5126.7169.4-62.20000110.2L161 I220 H221 T222 L228L161-T185 HydrophobicContact CD1-CG2 3.87Å; L161-T185 HydrophobicContact CD2-CG2 4.31Å; T185-I220 HydrophobicContact CG2-CG2 3.7Å; T185-H221 VanDerWaalsContact CA-O 3.32Å; T185-H221 WeakPolarHBondContact CA-O 3.43Å; T185-T222 PolarHBondContact OG1-OG1 3.43Å; T185-L228 HydrophobicContact CG2-CD1 4.42Å; T185-L228 HydrophobicContact CG2-CD2 4.43Å
186T90.1Very high73.5Confident72 Ų7262.3 Ų62.344%0.44234%0.34SS..EExtended strand (participates in β ladder)trans-106.8146.4-179.765.20000111.1M183 T184 I220 H221M183-T186 HydrophobicContact CE-CG2 4.39Å; T184-T186 WeakPolarHBondContact O-CG2 3.39Å; T184-T186 PolarHBondContact O-N 3.02Å; T186-I220 VanDerWaalsContact O-CA 3.3Å; T186-I220 WeakPolarHBondContact O-CA 3.45Å; T186-H221 PolarHBondContact N-O 3.34Å; T186-H221 PolarHBondContact O-N 2.83Å; T186-H221 VanDerWaalsContact OG1-CB 3.29Å; T186-H221 WeakPolarHBondContact OG1-CB 3.07Å
187L93.3Very high76.4Confident34 Ų3459.5 Ų59.518%0.17832%0.322CS..EExtended strand (participates in β ladder)trans-123.9122.2173.2171.465.8000110.2L159 L161 I189 Y218 S219 I220L159-L187 HydrophobicContact CD2-CD1 4.07Å; L161-L187 HydrophobicContact CD2-CB 3.57Å; L161-L187 HydrophobicContact CD2-CD2 4.12Å; L161-L187 HydrophobicContact CD2-CG 4.33Å; L187-I189 HydrophobicContact CD2-CD1 4.39Å; L187-I189 HydrophobicContact CG-CD1 4.19Å; L187-I189 HydrophobicContact CG-CG1 4.49Å; L187-Y218 HydrophobicContact CD1-CD1 4.15Å; L187-S219 WeakPolarHBondContact CA-O 3.33Å; L187-I220 HydrophobicContact CD1-CG1 3.82Å
188E94.6Very high78.7Confident56 Ų5659.3 Ų59.326%0.26231%0.31SS..EExtended strand (participates in β ladder)trans-111.7146.6169-171179.2149.300109.9S199 H201 Y218 S219E188-S199 WeakPolarHBondContact OE1-CB 3.45Å; E188-S199 PolarHBondContact OE1-OG 2.72Å; E188-H201 IonicContact OE2-CE1 3.45Å; E188-Y218 CarbonylContact O-C 3.58Å; E188-Y218 WeakPolarHBondContact O-CA 3.42Å; E188-S219 PolarHBondContact N-O 3.15Å; E188-S219 PolarHBondContact O-N 3.16Å
189I95.3Very high80.9Confident3 Ų358.7 Ų58.72%0.01531%0.306CS..EExtended strand (participates in β ladder)trans-121.5121.2177.8-53.897.7000109.4L187 L191 S199 R200 Q203 Y208 T216 E217 Y218L187-I189 HydrophobicContact CD2-CD1 4.39Å; L187-I189 HydrophobicContact CG-CD1 4.19Å; L187-I189 HydrophobicContact CG-CG1 4.49Å; I189-L191 HydrophobicContact CG2-CD2 4.48Å; I189-S199 CarbonylContact O-C 3.51Å; I189-R200 PolarHBondContact N-O 2.79Å; I189-R200 PolarHBondContact O-N 3.38Å; I189-Q203 HydrophobicContact CD1-CB 4.09Å; I189-Y208 HydrophobicContact CB-CE2 4.3Å; I189-Y208 HydrophobicContact CG2-CD2 3.99Å; I189-Y208 HydrophobicContact CG2-CE2 3.83Å; I189-T216 HydrophobicContact CG2-CG2 3.78Å; I189-E217 CarbonylContact C-O 3.52Å; I189-E217 WeakPolarHBondContact CA-O 3.31Å; I189-Y218 HydrophobicContact CB-CD1 4.47Å; I189-Y218 HydrophobicContact CG1-CD1 3.67Å; I189-Y218 HydrophobicContact CG1-CE1 3.95Å; I189-Y218 HydrophobicContact CG2-CD1 4.24Å; I189-Y218 HydrophobicContact CG2-CE1 4.17Å
190S95.5Very high83.2Confident0 Ų061.1 Ų61.10%031%0.306CS..EExtended strand (participates in β ladder)trans-105.3126.2176.2-66.70000110.7Y197 K198 S199 E217S190-Y197 WeakPolarHBondContact OG-CE1 3.39Å; S190-Y197 PolarHBondContact OG-OH 3.3Å; S190-K198 WeakPolarHBondContact CA-O 3.31Å; S190-S199 PolarHBondContact OG-OG 2.97Å; S190-E217 PolarHBondContact N-O 3.33Å; S190-E217 PolarHBondContact O-N 2.92Å
191L94.4Very high84.9Confident18 Ų1859.8 Ų59.89%0.09431%0.307CS..EExtended strand (participates in β ladder)trans-101.1111.7173.8-62.3-177.3000108.7I189 K198 Y208 T216I189-L191 HydrophobicContact CG2-CD2 4.48Å; L191-K198 PolarHBondContact N-O 3.21Å; L191-K198 PolarHBondContact O-N 2.88Å; L191-Y208 HydrophobicContact CD1-CD1 3.93Å; L191-Y208 HydrophobicContact CD1-CE1 3.79Å; L191-Y208 HydrophobicContact CD2-CD1 4.21Å; L191-Y208 HydrophobicContact CD2-CD2 4.24Å; L191-Y208 HydrophobicContact CD2-CG 4.03Å; L191-T216 HydrophobicContact CD2-CG2 4.25Å
192I94.1Very high86.5Confident0 Ų059.9 Ų59.90%032%0.317CS..EExtended strand (participates in β ladder)trans-112.4128.9-172.4-44.5174.5000108.9Y197 R214 W215 E217 R537 I543I192-Y197 HydrophobicContact CB-CD2 4.38Å; I192-Y197 HydrophobicContact CD1-CD2 3.95Å; I192-Y197 HydrophobicContact CD1-CE2 3.46Å; I192-Y197 VanDerWaalsContact CD1-CE2 3.46Å; I192-Y197 HydrophobicContact CG1-CD2 3.7Å; I192-Y197 HydrophobicContact CG1-CE2 3.65Å; I192-Y197 HydrophobicContact CG1-CG 4.4Å; I192-Y197 HydrophobicContact CG2-CD2 3.99Å; I192-R214 CarbonylContact O-C 3.47Å; I192-R214 VanDerWaalsContact O-CA 3.29Å; I192-R214 WeakPolarHBondContact O-CA 3.35Å; I192-R214 WeakPolarHBondContact O-CG 3.49Å; I192-W215 HydrophobicContact CB-CB 4.14Å; I192-W215 PolarHBondContact N-O 2.88Å; I192-W215 PolarHBondContact O-N 2.85Å; I192-E217 HydrophobicContact CD1-CB 4.26Å; I192-R537 HydrophobicContact CD1-CG 4.4Å; I192-R537 HydrophobicContact CG2-CG 4.02Å; I192-I543 HydrophobicContact CG2-CD1 3.97Å; I192-I543 HydrophobicContact CG2-CG1 4.4Å
193T92Very high87.8Confident42 Ų4254.8 Ų54.826%0.25830%0.295SS..EExtended strand (participates in β ladder)trans-130.8174.9175.767.90000109.4N195 D196 R214 I543T193-N195 PolarHBondContact O-N 3.36Å; T193-D196 PolarHBondContact N-O 2.76Å; T193-D196 PolarHBondContact O-N 3.42Å; T193-D196 WeakPolarHBondContact OG1-CB 3.07Å; T193-D196 PolarHBondContact OG1-N 3.34Å; T193-D196 PolarHBondContact OG1-O 2.8Å; T193-R214 HydrophobicContact CG2-CB 4.24Å; T193-R214 HydrophobicContact CG2-CG 4.06Å; T193-I543 WeakPolarHBondContact O-CD1 3.37Å; T193-I543 WeakPolarHBondContact O-CG1 3.41Å
194A85.2Confident88.6Confident39 Ų3955.5 Ų55.532%0.32230%0.302SS..THydrogen-bonded Turntrans-58.8-16.7-178.800000115.6T540 I543A194-T540 PolarHBondContact O-OG1 3.41Å; A194-I543 WeakPolarHBondContact O-CB 3.12Å
195N85.1Confident88.9Confident103 Ų10357 Ų5755%0.55130%0.301SS*.THydrogen-bonded Turntrans-132.10.4-175.8-63.5-33.7000113.9T193T193-N195 PolarHBondContact O-N 3.36Å
196D88Confident88.9Confident51 Ų5157 Ų5727%0.27330%0.302SS..EExtended strand (participates in β ladder)trans-153.5141.4-167.5-162.810.9000111.8T193 K198 I543T193-D196 PolarHBondContact N-O 2.76Å; T193-D196 PolarHBondContact O-N 3.42Å; T193-D196 WeakPolarHBondContact OG1-CB 3.07Å; T193-D196 PolarHBondContact OG1-N 3.34Å; T193-D196 PolarHBondContact OG1-O 2.8Å; D196-K198 VanDerWaalsContact OD2-CD 3.23Å; D196-K198 WeakPolarHBondContact OD2-CD 3.24Å; D196-K198 WeakPolarHBondContact OD2-CE 3.4Å; D196-K198 IonicContact OD2-NZ 3.9Å; D196-K198 PolarHBondContact OD2-NZ 3.48Å; D196-I543 WeakPolarHBondContact O-CD1 3.03Å
197Y91.8Very high88.9Confident9 Ų953.5 Ų53.54%0.03528%0.281CS..EExtended strand (participates in β ladder)trans-129.1112175.9-168.8-68.9000108S190 I192 E217 F547 S550 E551S190-Y197 WeakPolarHBondContact OG-CE1 3.39Å; S190-Y197 PolarHBondContact OG-OH 3.3Å; I192-Y197 HydrophobicContact CB-CD2 4.38Å; I192-Y197 HydrophobicContact CD1-CD2 3.95Å; I192-Y197 HydrophobicContact CD1-CE2 3.46Å; I192-Y197 VanDerWaalsContact CD1-CE2 3.46Å; I192-Y197 HydrophobicContact CG1-CD2 3.7Å; I192-Y197 HydrophobicContact CG1-CE2 3.65Å; I192-Y197 HydrophobicContact CG1-CG 4.4Å; I192-Y197 HydrophobicContact CG2-CD2 3.99Å; Y197-E217 PolarHBondContact OH-OE1 2.68Å; Y197-F547 HydrophobicContact CD2-CB 4.32Å; Y197-F547 HydrophobicContact CD2-CD2 4.11Å; Y197-F547 AromaticContact CE2-CD2 3.83Å; Y197-F547 HydrophobicContact CE2-CD2 3.83Å; Y197-S550 WeakPolarHBondContact CD1-OG 3.38Å; Y197-S550 VanDerWaalsContact CE1-CB 3.49Å; Y197-S550 PolarHBondContact O-OG 2.95Å; Y197-E551 PolarHBondContact OH-OE1 2.91Å
198K88.4Confident88.8Confident99 Ų9953.3 Ų53.343%0.4328%0.278SS..EExtended strand (participates in β ladder)trans-123.6104.2-174.5-78.3174.9170.4150.60112.1S190 L191 D196S190-K198 WeakPolarHBondContact CA-O 3.31Å; L191-K198 PolarHBondContact N-O 3.21Å; L191-K198 PolarHBondContact O-N 2.88Å; D196-K198 VanDerWaalsContact OD2-CD 3.23Å; D196-K198 WeakPolarHBondContact OD2-CD 3.24Å; D196-K198 WeakPolarHBondContact OD2-CE 3.4Å; D196-K198 IonicContact OD2-NZ 3.9Å; D196-K198 PolarHBondContact OD2-NZ 3.48Å
199S85.3Confident88.6Confident47 Ų4750.8 Ų50.833%0.32927%0.267SS..EExtended strand (participates in β ladder)trans-73.2139.9169.4-75.40000112.9E188 I189 S190E188-S199 WeakPolarHBondContact OE1-CB 3.45Å; E188-S199 PolarHBondContact OE1-OG 2.72Å; I189-S199 CarbonylContact O-C 3.51Å; S190-S199 PolarHBondContact OG-OG 2.97Å
200R85.7Confident88.4Confident111 Ų11151.7 Ų51.742%0.41927%0.272SS..EExtended strand (participates in β ladder)trans-144.2134.2177.5-60-177.6-178.8-78.10.5110.5I189 S202 Y208I189-R200 PolarHBondContact N-O 2.79Å; I189-R200 PolarHBondContact O-N 3.38Å; R200-S202 PolarHBondContact O-N 3.36Å; R200-Y208 WeakPolarHBondContact CD-OH 3.23Å
201H77.4Confident88Confident155 Ų15554.5 Ų54.572%0.71829%0.285SS*.SBendtrans-84.66.9174.6-53.4-63.3000113.5E188E188-H201 IonicContact OE2-CE1 3.45Å
202S84Confident87.8Confident84 Ų8458.1 Ų58.159%0.58731%0.31SS*.  trans-148.4159178.367.10000111.7R200 Y208R200-S202 PolarHBondContact O-N 3.36Å; S202-Y208 PolarHBondContact O-OH 3.35Å
203Q87.8Confident87.5Confident43 Ų4361.9 Ų61.920%0.20134%0.336CS..  trans-126.2155.4175.763.6-169.4-36.400110.1K158 L159 I189 Y208K158-Q203 HydrophobicContact CG-CG 4.42Å; L159-Q203 PolarHBondContact O-NE2 3.23Å; I189-Q203 HydrophobicContact CD1-CB 4.09Å; Q203-Y208 HydrophobicContact CB-CD2 4.12Å; Q203-Y208 HydrophobicContact CB-CE2 3.59Å
204P87.1Confident87.5Confident49 Ų4961.6 Ų61.632%0.31833%0.33SS..  trans-58.8159.6171.2-21.932.5000111.7C206 G207 Y208P204-C206 PolarHBondContact O-N 3.15Å; P204-G207 WeakPolarHBondContact CG-O 3.2Å; P204-G207 WeakPolarHBondContact O-CA 3.27Å; P204-G207 PolarHBondContact O-N 3.31Å; P204-Y208 VanDerWaalsContact CD-CZ 3.41Å; P204-Y208 HydrophobicContact CG-CD1 4.26Å; P204-Y208 HydrophobicContact CG-CE1 3.99Å
205E84.9Confident87.9Confident146 Ų14660.4 Ų60.468%0.68232%0.317SS*.THydrogen-bonded Turntrans-55.2-35.8178.5-172.8176.5-175.100113.2K158K158-E205 WeakPolarHBondContact CD-O 3.42Å
206C87.3Confident88.3Confident35 Ų3555.7 Ų55.724%0.23629%0.293CS..THydrogen-bonded Turntrans-100.619174.8-60.30000113R156 P204 F235R156-C206 WeakPolarHBondContact CB-O 3.44Å; P204-C206 PolarHBondContact O-N 3.15Å; C206-F235 HydrophobicContact CB-CB 4.22Å; C206-F235 HydrophobicContact CB-CD1 4.06Å; C206-F235 HydrophobicContact CB-CD2 4.13Å; C206-F235 HydrophobicContact CB-CE1 4.49Å; C206-F235 HydrophobicContact CB-CG 3.87Å; C206-F235 WeakPolarHBondContact O-CD2 3.36Å
207G89.9Confident88.7Confident0 Ų053.3 Ų53.30%028%0.28CS..  trans66.9-164.8-179.200000114.4R156 I157 P204R156-G207 VanDerWaalsContact CZ-O 3.28Å; R156-G207 PolarHBondContact NE-O 2.89Å; R156-G207 VanDerWaalsContact NE-O 3.17Å; R156-G207 PolarHBondContact NH2-O 3.29Å; I157-G207 CarbonylContact O-C 3.51Å; I157-G207 VanDerWaalsContact O-CA 3.26Å; I157-G207 WeakPolarHBondContact O-CA 3.44Å; P204-G207 WeakPolarHBondContact CG-O 3.2Å; P204-G207 WeakPolarHBondContact O-CA 3.27Å; P204-G207 PolarHBondContact O-N 3.31Å
208Y90.9Very high89Confident29 Ų2953 Ų5311%0.11428%0.278CS..EExtended strand (participates in β ladder)trans-99.2146.5-178.8-70-75.9000111.9R156 I157 I189 L191 R200 S202 Q203 P204R156-Y208 CarbonylContact C-O 3.58Å; R156-Y208 WeakPolarHBondContact CA-O 3.44Å; I157-Y208 PolarHBondContact N-O 3.13Å; I157-Y208 PolarHBondContact O-N 3.22Å; I189-Y208 HydrophobicContact CB-CE2 4.3Å; I189-Y208 HydrophobicContact CG2-CD2 3.99Å; I189-Y208 HydrophobicContact CG2-CE2 3.83Å; L191-Y208 HydrophobicContact CD1-CD1 3.93Å; L191-Y208 HydrophobicContact CD1-CE1 3.79Å; L191-Y208 HydrophobicContact CD2-CD1 4.21Å; L191-Y208 HydrophobicContact CD2-CD2 4.24Å; L191-Y208 HydrophobicContact CD2-CG 4.03Å; R200-Y208 WeakPolarHBondContact CD-OH 3.23Å; S202-Y208 PolarHBondContact O-OH 3.35Å; Q203-Y208 HydrophobicContact CB-CD2 4.12Å; Q203-Y208 HydrophobicContact CB-CE2 3.59Å; P204-Y208 VanDerWaalsContact CD-CZ 3.41Å; P204-Y208 HydrophobicContact CG-CD1 4.26Å; P204-Y208 HydrophobicContact CG-CE1 3.99Å
209A90.2Very high89.4Confident3 Ų348.6 Ų48.63%0.02526%0.26CS..EExtended strand (participates in β ladder)trans-63.7141175.500000111R156 E211 R214R156-A209 HydrophobicContact CG-CB 4.39Å; A209-E211 HydrophobicContact CB-CG 4.39Å; A209-R214 PolarHBondContact O-NH2 3.36Å
210L90.6Very high89.9Confident23 Ų2346.3 Ų46.312%0.1224%0.244CC..  trans-85.2115.2172.8-176.469.2000109.4F137 P142 V143 F155 I157F137-L210 HydrophobicContact CE2-CD1 3.79Å; F137-L210 HydrophobicContact CE2-CD2 4.27Å; F137-L210 HydrophobicContact CE2-CG 3.65Å; F137-L210 HydrophobicContact CZ-CD1 4.4Å; F137-L210 HydrophobicContact CZ-CD2 4.04Å; F137-L210 HydrophobicContact CZ-CG 3.81Å; P142-L210 HydrophobicContact CG-CD1 3.67Å; P142-L210 HydrophobicContact CG-CD2 3.98Å; P142-L210 HydrophobicContact CG-CG 4.33Å; V143-L210 HydrophobicContact CB-CD2 3.88Å; V143-L210 HydrophobicContact CG2-CD2 3.62Å; F155-L210 WeakPolarHBondContact O-CB 3.4Å; F155-L210 PolarHBondContact O-N 3.3Å; I157-L210 HydrophobicContact CD1-CB 4.31Å; I157-L210 HydrophobicContact CD1-CD1 4.32Å; I157-L210 HydrophobicContact CD1-CD2 4.28Å
211E88.8Confident90.2Very high58 Ų5842.8 Ų42.827%0.27123%0.232SC..  trans-126.4136.9-173.1-71.1169.2-14800111.5F137 A209 S213 R214F137-E211 WeakPolarHBondContact CD2-O 3.37Å; F137-E211 WeakPolarHBondContact CE2-O 3.39Å; A209-E211 HydrophobicContact CB-CG 4.39Å; E211-S213 PolarHBondContact O-N 3.17Å; E211-R214 HydrophobicContact CB-CB 4.14Å; E211-R214 PolarHBondContact O-N 3.12Å; E211-R214 VanDerWaalsContact O-N 3.14Å; E211-R214 IonicContact OE1-CZ 2.8Å; E211-R214 IonicContact OE1-NH1 2.7Å; E211-R214 PolarHBondContact OE1-NH1 3.23Å; E211-R214 IonicContact OE1-NH2 3.08Å; E211-R214 PolarHBondContact OE1-NH2 3.35Å; E211-R214 IonicContact OE2-CZ 3.14Å; E211-R214 IonicContact OE2-NH1 2.87Å; E211-R214 PolarHBondContact OE2-NH1 3.32Å; E211-R214 IonicContact OE2-NH2 2.76Å
212P88.4Confident90.9Very high95 Ų9535.4 Ų35.462%0.61720%0.199SC*.THydrogen-bonded Turntrans-56.1-32.8-179.9-29.336.9000115.4F137F137-P212 HydrophobicContact CD1-CB 4.36Å; F137-P212 HydrophobicContact CD1-CG 4.45Å; F137-P212 VanDerWaalsContact CD2-CA 3.42Å; F137-P212 HydrophobicContact CD2-CB 4.48Å; F137-P212 HydrophobicContact CE1-CB 4.49Å; F137-P212 HydrophobicContact CE1-CG 4.11Å; F137-P212 HydrophobicContact CE2-CG 4.47Å; F137-P212 HydrophobicContact CG-CB 4.35Å; F137-P212 HydrophobicContact CZ-CG 4.12Å
213S89.2Confident91.1Very high79 Ų7933.1 Ų33.155%0.55218%0.179SC*.THydrogen-bonded Turntrans-92.79.4-176.8560000113.9E211E211-S213 PolarHBondContact O-N 3.17Å
214R91.1Very high91.1Very high35 Ų3534.6 Ų34.613%0.13219%0.188CC..  trans-137.3133.7-175.8-174.9169.372.4-141.9-1.8111.5I192 T193 A209 E211I192-R214 CarbonylContact O-C 3.47Å; I192-R214 VanDerWaalsContact O-CA 3.29Å; I192-R214 WeakPolarHBondContact O-CA 3.35Å; I192-R214 WeakPolarHBondContact O-CG 3.49Å; T193-R214 HydrophobicContact CG2-CB 4.24Å; T193-R214 HydrophobicContact CG2-CG 4.06Å; A209-R214 PolarHBondContact O-NH2 3.36Å; E211-R214 HydrophobicContact CB-CB 4.14Å; E211-R214 PolarHBondContact O-N 3.12Å; E211-R214 VanDerWaalsContact O-N 3.14Å; E211-R214 IonicContact OE1-CZ 2.8Å; E211-R214 IonicContact OE1-NH1 2.7Å; E211-R214 PolarHBondContact OE1-NH1 3.23Å; E211-R214 IonicContact OE1-NH2 3.08Å; E211-R214 PolarHBondContact OE1-NH2 3.35Å; E211-R214 IonicContact OE2-CZ 3.14Å; E211-R214 IonicContact OE2-NH1 2.87Å; E211-R214 PolarHBondContact OE2-NH1 3.32Å; E211-R214 IonicContact OE2-NH2 2.76Å
215W93.3Very high91.3Very high14 Ų1433 Ų335%0.05318%0.178CC..EExtended strand (participates in β ladder)trans-93.8140.8165.4-59.310.2000109H136 I192 D535 M536H136-W215 HydrophobicContact CB-CB 3.99Å; H136-W215 HydrophobicContact CB-CD2 3.6Å; H136-W215 HydrophobicContact CB-CE3 4.43Å; H136-W215 HydrophobicContact CB-CG 3.37Å; H136-W215 HydrophobicContact CB-CZ2 4.39Å; H136-W215 AromaticContact CG-CD2 3.98Å; H136-W215 AromaticContact CG-CE2 3.79Å; H136-W215 AromaticContact ND1-CE2 3.98Å; H136-W215 AromaticContact ND1-CZ2 3.92Å; I192-W215 HydrophobicContact CB-CB 4.14Å; I192-W215 PolarHBondContact N-O 2.88Å; I192-W215 PolarHBondContact O-N 2.85Å; W215-D535 HydrophobicContact CH2-CB 4.18Å; W215-M536 VanDerWaalsContact CD1-CE 3.46Å; W215-M536 HydrophobicContact CD2-CB 4Å; W215-M536 HydrophobicContact CG-CB 4.49Å; W215-M536 HydrophobicContact CG-CE 4.45Å; W215-M536 HydrophobicContact CG-SD 4.21Å; W215-M536 HydrophobicContact CH2-CB 4.36Å; W215-M536 HydrophobicContact CZ2-CB 3.78Å
216T95.1Very high91.5Very high5 Ų528.9 Ų28.93%0.03116%0.16CC..EExtended strand (participates in β ladder)trans-108.6115.3166-54.90000107.3R134 L135 I189 L191 Y218R134-T216 WeakPolarHBondContact CA-O 3.45Å; L135-T216 PolarHBondContact N-O 3.27Å; L135-T216 PolarHBondContact O-N 3.28Å; I189-T216 HydrophobicContact CG2-CG2 3.78Å; L191-T216 HydrophobicContact CD2-CG2 4.25Å; T216-Y218 HydrophobicContact CG2-CD2 4.5Å; T216-Y218 HydrophobicContact CG2-CE1 4.11Å; T216-Y218 HydrophobicContact CG2-CE2 3.83Å
217E96.1Very high91.6Very high1 Ų129.2 Ų29.21%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-104.1139.2171.4179.5178.599.400109.4R132 L133 R134 I189 S190 I192 Y197R132-E217 IonicContact CZ-OE1 3.95Å; R132-E217 IonicContact NH1-OE1 3.95Å; R132-E217 PolarHBondContact NH1-OE1 3.1Å; L133-E217 CarbonylContact O-C 3.57Å; L133-E217 VanDerWaalsContact O-CA 3.29Å; L133-E217 WeakPolarHBondContact O-CA 3.26Å; R134-E217 HydrophobicContact CG-CB 4.1Å; R134-E217 HydrophobicContact CG-CG 3.96Å; R134-E217 IonicContact CZ-OE2 2.66Å; R134-E217 VanDerWaalsContact CZ-OE2 3.24Å; R134-E217 IonicContact NE-OE2 3.03Å; R134-E217 PolarHBondContact NE-OE2 3.38Å; R134-E217 IonicContact NH2-OE2 3.37Å; R134-E217 PolarHBondContact NH2-OE2 3.09Å; I189-E217 CarbonylContact C-O 3.52Å; I189-E217 WeakPolarHBondContact CA-O 3.31Å; S190-E217 PolarHBondContact N-O 3.33Å; S190-E217 PolarHBondContact O-N 2.92Å; I192-E217 HydrophobicContact CD1-CB 4.26Å; Y197-E217 PolarHBondContact OH-OE1 2.68Å
218Y96.9Very high91.6Very high1 Ų129.4 Ų29.40%0.00416%0.161CC..EExtended strand (participates in β ladder)trans-114.6126172.1-55.6-86.7000108.1R132 L133 L135 L159 L187 E188 I189 T216 F232R132-Y218 CarbonylContact C-O 3.48Å; R132-Y218 VanDerWaalsContact CA-O 3.31Å; R132-Y218 WeakPolarHBondContact CA-O 3.27Å; L133-Y218 HydrophobicContact CB-CD2 4.3Å; L133-Y218 PolarHBondContact N-O 3.03Å; L133-Y218 PolarHBondContact O-N 3.03Å; L135-Y218 HydrophobicContact CD1-CE2 3.84Å; L135-Y218 HydrophobicContact CG-CE2 4.17Å; L159-Y218 HydrophobicContact CB-CD1 3.76Å; L159-Y218 HydrophobicContact CB-CE1 3.52Å; L159-Y218 HydrophobicContact CB-CE2 4.48Å; L159-Y218 HydrophobicContact CB-CG 4.34Å; L159-Y218 HydrophobicContact CD2-CD1 3.58Å; L159-Y218 HydrophobicContact CD2-CD2 4Å; L159-Y218 HydrophobicContact CD2-CE1 4.2Å; L159-Y218 HydrophobicContact CD2-CG 3.46Å; L159-Y218 VanDerWaalsContact CD2-CG 3.46Å; L159-Y218 HydrophobicContact CG-CD1 4.32Å; L187-Y218 HydrophobicContact CD1-CD1 4.15Å; E188-Y218 CarbonylContact O-C 3.58Å; E188-Y218 WeakPolarHBondContact O-CA 3.42Å; I189-Y218 HydrophobicContact CB-CD1 4.47Å; I189-Y218 HydrophobicContact CG1-CD1 3.67Å; I189-Y218 HydrophobicContact CG1-CE1 3.95Å; I189-Y218 HydrophobicContact CG2-CD1 4.24Å; I189-Y218 HydrophobicContact CG2-CE1 4.17Å; T216-Y218 HydrophobicContact CG2-CD2 4.5Å; T216-Y218 HydrophobicContact CG2-CE1 4.11Å; T216-Y218 HydrophobicContact CG2-CE2 3.83Å; Y218-F232 HydrophobicContact CD2-CE1 4.36Å; Y218-F232 HydrophobicContact CE2-CE1 4.01Å
219S96.5Very high91.8Very high7 Ų731.3 Ų31.35%0.04917%0.171CC..EExtended strand (participates in β ladder)trans-111.7115.1178.4-480000108.6R132 L187 E188R132-S219 WeakPolarHBondContact CD-OG 3.41Å; R132-S219 PolarHBondContact NE-OG 2.93Å; R132-S219 PolarHBondContact NH1-OG 2.71Å; L187-S219 WeakPolarHBondContact CA-O 3.33Å; E188-S219 PolarHBondContact N-O 3.15Å; E188-S219 PolarHBondContact O-N 3.16Å
220I95.9Very high92.1Very high0 Ų031.1 Ų31.10%017%0.17CC..EExtended strand (participates in β ladder)trans-113120.3-175.6-54.9168.4000108.1D130 I131 L133 L159 T185 T186 L187 L228 L230D130-I220 CarbonylContact C-O 3.52Å; D130-I220 WeakPolarHBondContact CA-O 3.28Å; I131-I220 HydrophobicContact CB-CB 4.19Å; I131-I220 PolarHBondContact N-O 3.37Å; I131-I220 PolarHBondContact O-N 3.02Å; L133-I220 HydrophobicContact CD1-CD1 3.84Å; L159-I220 HydrophobicContact CD2-CD1 4.3Å; T185-I220 HydrophobicContact CG2-CG2 3.7Å; T186-I220 VanDerWaalsContact O-CA 3.3Å; T186-I220 WeakPolarHBondContact O-CA 3.45Å; L187-I220 HydrophobicContact CD1-CG1 3.82Å; I220-L228 HydrophobicContact CG2-CD1 3.99Å; I220-L230 HydrophobicContact CD1-CD1 4.19Å; I220-L230 HydrophobicContact CD1-CD2 3.58Å
221H93.4Very high92.3Very high36 Ų3630.9 Ų30.917%0.16717%0.169CC..EExtended strand (participates in β ladder)trans-108.5121.7177.2-15994.5000109.2L125 Q128 D130 M183 T185 T186L125-H221 WeakPolarHBondContact CD2-CE1 3.16Å; Q128-H221 WeakPolarHBondContact CB-NE2 3.1Å; Q128-H221 WeakPolarHBondContact CG-NE2 3.37Å; D130-H221 IonicContact OD2-ND1 3.74Å; D130-H221 PolarHBondContact OD2-ND1 2.96Å; M183-H221 WeakPolarHBondContact CE-CD2 3.5Å; T185-H221 VanDerWaalsContact CA-O 3.32Å; T185-H221 WeakPolarHBondContact CA-O 3.43Å; T186-H221 PolarHBondContact N-O 3.34Å; T186-H221 PolarHBondContact O-N 2.83Å; T186-H221 VanDerWaalsContact OG1-CB 3.29Å; T186-H221 WeakPolarHBondContact OG1-CB 3.07Å
222T91.6Very high92.7Very high1 Ų128.1 Ų28.11%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-147.1151.5-168.5-177.10000112.7Q128 T129 I131 T185 D224 P225 L228Q128-T222 WeakPolarHBondContact CA-O 3.35Å; T129-T222 PolarHBondContact N-O 2.94Å; T129-T222 PolarHBondContact O-N 3.33Å; I131-T222 HydrophobicContact CD1-CG2 4.24Å; I131-T222 HydrophobicContact CG1-CG2 4.45Å; T185-T222 PolarHBondContact OG1-OG1 3.43Å; T222-D224 PolarHBondContact OG1-N 2.81Å; T222-P225 HydrophobicContact CG2-CB 3.98Å; T222-L228 HydrophobicContact CG2-CD1 3.91Å
223M88.8Confident93Very high35 Ų3524.7 Ų24.717%0.17213%0.132CC..SBendtrans-87.2-20.9169-72.7-61.1-56.500112.8L72 I84 C127 Q128 M183 P225L72-M223 HydrophobicContact CD1-CE 3.6Å; L72-M223 HydrophobicContact CD1-CG 4.24Å; L72-M223 HydrophobicContact CD1-SD 3.96Å; I84-M223 HydrophobicContact CD1-CG 4.35Å; I84-M223 HydrophobicContact CD1-SD 3.82Å; C127-M223 HydrophobicContact CB-CE 4.17Å; Q128-M223 HydrophobicContact CB-SD 4.28Å; Q128-M223 HydrophobicContact CG-SD 3.73Å; M183-M223 HydrophobicContact CB-CG 4.07Å; M183-M223 HydrophobicContact SD-CG 4.44Å; M223-P225 VanDerWaalsContact C-CD 3.44Å; M223-P225 VanDerWaalsContact O-CD 3.27Å; M223-P225 WeakPolarHBondContact O-CD 3.49Å
224D87.9Confident93.3Very high75 Ų7521 Ų2140%0.40111%0.106SC..  trans-122.968.7-174.4-56.8-70.2000109.3K75 T222 D226 N227K75-D224 IonicContact NZ-OD1 3.22Å; T222-D224 PolarHBondContact OG1-N 2.81Å; D224-D226 PolarHBondContact O-N 3.05Å; D224-D226 VanDerWaalsContact O-N 3.13Å; D224-N227 HydrophobicContact CB-CB 4.13Å; D224-N227 PolarHBondContact O-N 2.94Å; D224-N227 VanDerWaalsContact O-N 3.16Å
225P89.6Confident93.3Very high16 Ų1619.5 Ų19.510%0.10410%0.1CC..THydrogen-bonded Turntrans-64.3-18.9-17226.7-36.4000114.5T129 I131 T222 M223 S260T129-P225 HydrophobicContact CG2-CB 3.7Å; T129-P225 HydrophobicContact CG2-CG 4.24Å; I131-P225 HydrophobicContact CD1-CB 4.24Å; T222-P225 HydrophobicContact CG2-CB 3.98Å; M223-P225 VanDerWaalsContact C-CD 3.44Å; M223-P225 VanDerWaalsContact O-CD 3.27Å; M223-P225 WeakPolarHBondContact O-CD 3.49Å; P225-S260 WeakPolarHBondContact O-CB 3.34Å; P225-S260 PolarHBondContact O-OG 2.6Å
226D89.3Confident93Very high58 Ų5822.1 Ų22.131%0.3111%0.113SC..THydrogen-bonded Turntrans-99.6-1.7-177.9-54.3-42.8000112.5D224 S260 S261D224-D226 PolarHBondContact O-N 3.05Å; D224-D226 VanDerWaalsContact O-N 3.13Å; D226-S260 VanDerWaalsContact C-OG 3.29Å; D226-S261 WeakPolarHBondContact O-CB 3.34Å; D226-S261 PolarHBondContact O-N 3.38Å
227N89.4Confident92.3Very high43 Ų4323.8 Ų23.823%0.2312%0.12CC..SBendtrans-119.135.3-173.6-15840.8000113.7I164 D224 S260I164-N227 VanDerWaalsContact CB-OD1 3.31Å; I164-N227 WeakPolarHBondContact CB-OD1 3.13Å; I164-N227 PolarHBondContact N-O 3.07Å; I164-N227 PolarHBondContact O-ND2 3.2Å; I164-N227 VanDerWaalsContact O-ND2 3.16Å; D224-N227 HydrophobicContact CB-CB 4.13Å; D224-N227 PolarHBondContact O-N 2.94Å; D224-N227 VanDerWaalsContact O-N 3.16Å; N227-S260 PolarHBondContact N-OG 3.23Å
228L91.8Very high90.8Very high4 Ų428.5 Ų28.52%0.02115%0.146CC..EExtended strand (participates in β ladder)trans-114.3131.5178.9-57.7176.1000111.2I131 T185 I220 T222 L230 S260I131-L228 HydrophobicContact CD1-CD1 4.41Å; T185-L228 HydrophobicContact CG2-CD1 4.42Å; T185-L228 HydrophobicContact CG2-CD2 4.43Å; I220-L228 HydrophobicContact CG2-CD1 3.99Å; T222-L228 HydrophobicContact CG2-CD1 3.91Å; L228-L230 HydrophobicContact CB-CD2 4.13Å; L228-L230 HydrophobicContact CB-CG 4.34Å; L228-S260 WeakPolarHBondContact CB-OG 3.17Å; L228-S260 PolarHBondContact N-OG 3.38Å; L228-S260 PolarHBondContact O-N 3.1Å; L228-S260 PolarHBondContact O-OG 2.86Å
229E94.2Very high88.8Confident68 Ų6835.5 Ų35.532%0.31818%0.183SC..EExtended strand (participates in β ladder)trans-92.2115.3162-172.4172.9134.400109.4L161 E162 T231 C257 L259L161-E229 WeakPolarHBondContact CA-O 3.34Å; E162-E229 PolarHBondContact N-O 2.79Å; E162-E229 PolarHBondContact O-N 3.35Å; E229-T231 PolarHBondContact OE1-OG1 2.96Å; E229-C257 VanDerWaalsContact CD-SG 3.59Å; E229-C257 WeakPolarHBondContact CG-SG 3.23Å; E229-L259 HydrophobicContact CB-CD2 4.3Å; E229-L259 HydrophobicContact CG-CD2 4.11Å
230L95.6Very high86.6Confident0 Ų038.4 Ų38.40%021%0.213CC..EExtended strand (participates in β ladder)trans-106.7111-177.6-56.5172.9000109.6L133 L159 L161 I220 L228 L258 F263L133-L230 HydrophobicContact CD1-CD1 3.84Å; L159-L230 HydrophobicContact CD1-CB 4.21Å; L161-L230 HydrophobicContact CB-CD2 4.02Å; I220-L230 HydrophobicContact CD1-CD1 4.19Å; I220-L230 HydrophobicContact CD1-CD2 3.58Å; L228-L230 HydrophobicContact CB-CD2 4.13Å; L228-L230 HydrophobicContact CB-CG 4.34Å; L230-L258 HydrophobicContact CB-CB 4.14Å; L230-L258 WeakPolarHBondContact CB-O 3.3Å; L230-L258 HydrophobicContact CD1-CD2 4.14Å; L230-L258 HydrophobicContact CD1-CG 4.33Å; L230-L258 PolarHBondContact N-O 3.16Å; L230-L258 PolarHBondContact O-N 3.04Å; L230-F263 HydrophobicContact CD1-CE2 4.46Å; L230-F263 HydrophobicContact CD1-CZ 4.5Å
231T96.4Very high84.2Confident17 Ų1746 Ų4610%0.10425%0.249CC..EExtended strand (participates in β ladder)trans-111.6111.4-169.4-76.40000111.1L159 T160 E229 E233 T255L159-T231 WeakPolarHBondContact CA-O 3.34Å; T160-T231 PolarHBondContact N-O 2.84Å; T160-T231 PolarHBondContact O-N 3.32Å; T160-T231 WeakPolarHBondContact OG1-CB 3.43Å; T160-T231 PolarHBondContact OG1-O 3.44Å; E229-T231 PolarHBondContact OE1-OG1 2.96Å; T231-E233 HydrophobicContact CG2-CG 4.11Å; T231-T255 HydrophobicContact CG2-CG2 3.43Å; T231-T255 VanDerWaalsContact CG2-CG2 3.43Å
232F97.1Very high81.7Confident0 Ų051.9 Ų51.90%028%0.276CS..EExtended strand (participates in β ladder)trans-88.8109.4173.4-64.2-89.2000109.8L133 L135 I157 K158 L159 Y218 F234 T255 A256 L258 L275 V291L133-F232 HydrophobicContact CD1-CZ 4.04Å; L135-F232 HydrophobicContact CD1-CD1 4.3Å; L135-F232 HydrophobicContact CD1-CE1 4.23Å; I157-F232 HydrophobicContact CG2-CB 4.35Å; I157-F232 HydrophobicContact CG2-CD1 4Å; K158-F232 CarbonylContact O-C 3.51Å; K158-F232 WeakPolarHBondContact O-CA 3.35Å; L159-F232 HydrophobicContact CB-CE1 4.48Å; L159-F232 HydrophobicContact CD1-CD1 4.01Å; L159-F232 HydrophobicContact CD1-CD2 4.2Å; L159-F232 HydrophobicContact CD1-CE1 3.84Å; L159-F232 HydrophobicContact CD1-CE2 4.03Å; L159-F232 HydrophobicContact CD1-CG 4.2Å; L159-F232 HydrophobicContact CD1-CZ 3.85Å; L159-F232 HydrophobicContact CD2-CE1 4.49Å; L159-F232 HydrophobicContact CG-CE1 4.5Å; Y218-F232 HydrophobicContact CD2-CE1 4.36Å; Y218-F232 HydrophobicContact CE2-CE1 4.01Å; F232-F234 HydrophobicContact CB-CE2 3.87Å; F232-F234 HydrophobicContact CB-CZ 4.22Å; F232-F234 WeakPolarHBondContact O-CD2 3.13Å; F232-F234 WeakPolarHBondContact O-CE2 3.44Å; F232-T255 CarbonylContact O-C 3.58Å; F232-T255 VanDerWaalsContact O-CA 3.3Å; F232-T255 WeakPolarHBondContact O-CA 3.21Å; F232-A256 HydrophobicContact CB-CB 4.41Å; F232-A256 PolarHBondContact N-O 3.36Å; F232-A256 PolarHBondContact O-N 2.99Å; F232-L258 HydrophobicContact CE2-CB 4.44Å; F232-L258 HydrophobicContact CE2-CD2 4.49Å; F232-L275 HydrophobicContact CD2-CD1 4.29Å; F232-L275 HydrophobicContact CE2-CD1 4.33Å; F232-V291 HydrophobicContact CE2-CG2 4.05Å; F232-V291 HydrophobicContact CZ-CG1 3.88Å; F232-V291 HydrophobicContact CZ-CG2 3.98Å
233E94.9Very high79.6Confident23 Ų2356.1 Ų56.111%0.10730%0.302CS..EExtended strand (participates in β ladder)trans-93.2130.1175.7-56.7-175.986.600110.5I157 K158 T231 F235I157-E233 WeakPolarHBondContact CA-O 3.41Å; K158-E233 HydrophobicContact CB-CB 4.33Å; K158-E233 WeakPolarHBondContact CD-OE2 3.39Å; K158-E233 WeakPolarHBondContact CE-OE2 3.44Å; K158-E233 PolarHBondContact N-O 2.84Å; K158-E233 IonicContact NZ-OE2 3.83Å; K158-E233 PolarHBondContact NZ-OE2 2.98Å; K158-E233 PolarHBondContact O-N 2.68Å; T231-E233 HydrophobicContact CG2-CG 4.11Å; E233-F235 HydrophobicContact CB-CD2 4.49Å; E233-F235 HydrophobicContact CB-CE2 3.6Å; E233-F235 HydrophobicContact CB-CZ 4.07Å
234F94Very high77.7Confident2 Ų259.3 Ų59.31%0.00932%0.323CS..EExtended strand (participates in β ladder)trans-106.6127-178.4-64.8-97.8000110.3V143 I157 F232 H252 V253 G254 A256 I277 V289V143-F234 HydrophobicContact CG1-CE1 4.49Å; V143-F234 HydrophobicContact CG2-CE1 3.76Å; I157-F234 HydrophobicContact CD1-CD1 4.2Å; I157-F234 HydrophobicContact CD1-CE1 3.72Å; I157-F234 HydrophobicContact CG1-CD1 3.93Å; I157-F234 HydrophobicContact CG1-CE1 3.91Å; F232-F234 HydrophobicContact CB-CE2 3.87Å; F232-F234 HydrophobicContact CB-CZ 4.22Å; F232-F234 WeakPolarHBondContact O-CD2 3.13Å; F232-F234 WeakPolarHBondContact O-CE2 3.44Å; F234-H252 PolarHBondContact O-CD2 3Å; F234-V253 HydrophobicContact CB-CG2 3.62Å; F234-V253 WeakPolarHBondContact O-CG2 2.78Å; F234-V253 PolarHBondContact O-N 3.17Å; F234-G254 PolarHBondContact N-O 2.87Å; F234-A256 HydrophobicContact CE2-CB 3.89Å; F234-I277 HydrophobicContact CD1-CD1 4.17Å; F234-I277 HydrophobicContact CD2-CG1 4.4Å; F234-I277 HydrophobicContact CD2-CG2 3.69Å; F234-I277 HydrophobicContact CE1-CD1 3.8Å; F234-I277 HydrophobicContact CE1-CG1 4.39Å; F234-I277 HydrophobicContact CE2-CD1 4.19Å; F234-I277 HydrophobicContact CE2-CG1 3.91Å; F234-I277 HydrophobicContact CE2-CG2 3.99Å; F234-I277 HydrophobicContact CG-CG2 4.13Å; F234-I277 HydrophobicContact CZ-CD1 3.82Å; F234-I277 HydrophobicContact CZ-CG1 3.92Å; F234-V289 HydrophobicContact CE1-CB 4.34Å; F234-V289 HydrophobicContact CE1-CG2 4.43Å; F234-V289 HydrophobicContact CE2-CG1 4.48Å; F234-V289 HydrophobicContact CZ-CB 3.74Å; F234-V289 HydrophobicContact CZ-CG1 3.88Å; F234-V289 HydrophobicContact CZ-CG2 4.01Å
235F91.3Very high75.5Confident4 Ų465.1 Ų65.12%0.01835%0.348CS..EExtended strand (participates in β ladder)trans-117.6131176.8-58.8-96.8000109.6F155 R156 K158 C206 E233 E237 H249 G251 H252F155-F235 CarbonylContact C-O 3.53Å; F155-F235 VanDerWaalsContact CA-O 3.23Å; F155-F235 WeakPolarHBondContact CA-O 3.21Å; R156-F235 HydrophobicContact CB-CB 4.32Å; R156-F235 PolarHBondContact N-O 3.15Å; R156-F235 PolarHBondContact O-N 2.91Å; K158-F235 HydrophobicContact CB-CE2 3.98Å; C206-F235 HydrophobicContact CB-CB 4.22Å; C206-F235 HydrophobicContact CB-CD1 4.06Å; C206-F235 HydrophobicContact CB-CD2 4.13Å; C206-F235 HydrophobicContact CB-CE1 4.49Å; C206-F235 HydrophobicContact CB-CG 3.87Å; C206-F235 WeakPolarHBondContact O-CD2 3.36Å; E233-F235 HydrophobicContact CB-CD2 4.49Å; E233-F235 HydrophobicContact CB-CE2 3.6Å; E233-F235 HydrophobicContact CB-CZ 4.07Å; F235-E237 PolarHBondContact O-N 3.28Å; F235-H249 HydrophobicContact CE1-CB 4.3Å; F235-G251 CarbonylContact C-O 3.42Å; F235-G251 VanDerWaalsContact CA-O 3.3Å; F235-G251 WeakPolarHBondContact CA-O 3.26Å; F235-H252 HydrophobicContact CD1-CB 3.97Å; F235-H252 HydrophobicContact CE1-CB 3.82Å
236E88.3Confident73.7Confident69 Ų6968.2 Ų68.232%0.32238%0.382SS..EExtended strand (participates in β ladder)trans-69.1125.9170.6-179.9162.3-147.300109.5S153 D238 G251 V253S153-E236 VanDerWaalsContact CB-OE1 3.25Å; S153-E236 WeakPolarHBondContact CB-OE1 3.23Å; S153-E236 PolarHBondContact OG-OE1 3.45Å; E236-D238 PolarHBondContact O-N 3.26Å; E236-G251 PolarHBondContact N-O 2.9Å; E236-V253 HydrophobicContact CB-CG1 3.71Å
237E78.8Confident72.2Confident39 Ų3967.3 Ų67.318%0.18238%0.378CS..  trans-76.5105.7179.7-169.3174.5-154.800109.5R154 R156 F235R154-E237 HydrophobicContact CB-CB 3.95Å; R154-E237 VanDerWaalsContact CB-OE2 3.26Å; R154-E237 WeakPolarHBondContact CB-OE2 3.26Å; R154-E237 IonicContact CZ-OE2 3.08Å; R154-E237 IonicContact NE-OE2 3.15Å; R154-E237 PolarHBondContact NE-OE2 3.47Å; R154-E237 IonicContact NH2-OE1 2.78Å; R154-E237 PolarHBondContact NH2-OE1 2.92Å; R154-E237 IonicContact NH2-OE2 3.88Å; R154-E237 PolarHBondContact NH2-OE2 2.93Å; R154-E237 PolarHBondContact O-N 3.31Å; R156-E237 HydrophobicContact CG-CB 4.27Å; R156-E237 HydrophobicContact CG-CG 4.35Å; F235-E237 PolarHBondContact O-N 3.28Å
238D65.9Low70.6Confident100 Ų10071.9 Ų71.954%0.53540%0.401SS..  trans-77.5124.6179.6-165.6-6.9000110.9E236 G240 E241 H242E236-D238 PolarHBondContact O-N 3.26Å; D238-G240 PolarHBondContact OD1-N 3.41Å; D238-E241 PolarHBondContact OD1-N 2.73Å; D238-E241 WeakPolarHBondContact OD2-CA 3.46Å; D238-H242 PolarHBondContact OD2-N 2.77Å
239L55.1Low69.3Low149 Ų14975.1 Ų75.178%0.7842%0.415SS*.SBendtrans-1016.9179.9-73.9167.1000112.9
240G48.5Very low68Low67 Ų6774.1 Ų74.169%0.69142%0.415SS*.SBendtrans-175.923.2-175.600000120.9D238D238-G240 PolarHBondContact OD1-N 3.41Å
241E47.4Very low67.3Low160 Ų16075.8 Ų75.875%0.74843%0.432SS*.  trans70.4120.8177.8-70.4-159.1173.400118.2D238D238-E241 PolarHBondContact OD1-N 2.73Å; D238-E241 WeakPolarHBondContact OD2-CA 3.46Å
242H39.2Very low66.9Low160 Ų16076.3 Ų76.374%0.74143%0.433SS*.  -160.8103.2102.5-100.715.8000108.6D238 V244D238-H242 PolarHBondContact OD2-N 2.77Å; H242-V244 PolarHBondContact O-N 2.92Å
243V49Very low66.5Low89 Ų8976.6 Ų76.654%0.53944%0.435SS..  trans-56.2123.3162.9176.10000106.9Q245 P250V243-Q245 PolarHBondContact O-N 2.89Å; V243-P250 HydrophobicContact CG1-CB 3.99Å; V243-P250 HydrophobicContact CG1-CG 3.76Å; V243-P250 HydrophobicContact CG2-CB 4.26Å
244V48.3Very low66.4Low103 Ų10375.5 Ų75.562%0.62443%0.43SS*.  trans-59.9111169-178.30000106.3H242 G246 D247H242-V244 PolarHBondContact O-N 2.92Å; V244-G246 PolarHBondContact O-N 3.41Å; V244-D247 HydrophobicContact CB-CB 4.22Å; V244-D247 PolarHBondContact O-N 2.87Å
245Q41Very low66.4Low197 Ų19777.4 Ų77.492%0.92144%0.441SS*.THydrogen-bonded Turntrans-53.3115.5177.6-96.4-176.7-17.400109.1V243V243-Q245 PolarHBondContact O-N 2.89Å
246G53.1Low66.7Low80 Ų8077.2 Ų77.283%0.82544%0.441SS*.THydrogen-bonded Turntrans99.73.3-17900000116.3V244V244-G246 PolarHBondContact O-N 3.41Å
247D56.3Low67.1Low40 Ų4076.6 Ų76.621%0.21444%0.443CS..  trans-77.3127.3169.7-163.8-7000110.9V244 H249 R280V244-D247 HydrophobicContact CB-CB 4.22Å; V244-D247 PolarHBondContact O-N 2.87Å; D247-H249 VanDerWaalsContact C-N 3.26Å; D247-H249 PolarHBondContact O-N 2.83Å; D247-H249 PolarHBondContact OD1-N 3.43Å; D247-R280 IonicContact OD1-CZ 3.42Å; D247-R280 IonicContact OD1-NH1 3.19Å; D247-R280 PolarHBondContact OD1-NH1 3.16Å; D247-R280 IonicContact OD1-NH2 2.73Å; D247-R280 PolarHBondContact OD1-NH2 2.83Å; D247-R280 IonicContact OD2-CZ 3.73Å; D247-R280 IonicContact OD2-NH1 2.8Å; D247-R280 PolarHBondContact OD2-NH1 2.8Å; D247-R280 IonicContact OD2-NH2 3.77Å
248I57.3Low67.9Low139 Ų13974.9 Ų74.971%0.71344%0.436SS*.SBendtrans-69.3-27-179.7-55.7171.3000110.7
249H64.2Low69.2Low71 Ų7173.9 Ų73.933%0.32943%0.43SS..SBendtrans-136.281.9179.3-62.7111.1000111.1F235 D247 G251 H252F235-H249 HydrophobicContact CE1-CB 4.3Å; D247-H249 VanDerWaalsContact C-N 3.26Å; D247-H249 PolarHBondContact O-N 2.83Å; D247-H249 PolarHBondContact OD1-N 3.43Å; H249-G251 PolarHBondContact O-N 2.88Å; H249-H252 HydrophobicContact CB-CB 4.04Å; H249-H252 WeakPolarHBondContact O-CB 3.21Å; H249-H252 PolarHBondContact O-N 3.14Å
250P67Low70.9Confident47 Ų4766.9 Ų66.931%0.30539%0.393SS..THydrogen-bonded Turntrans-54.5130.5-177.4-25.934.8000112.6V243 H252V243-P250 HydrophobicContact CG1-CB 3.99Å; V243-P250 HydrophobicContact CG1-CG 3.76Å; V243-P250 HydrophobicContact CG2-CB 4.26Å; P250-H252 VanDerWaalsContact C-N 3.28Å; P250-H252 PolarHBondContact O-N 3.39Å
251G79.3Confident72.9Confident35 Ų3565.1 Ų65.136%0.36137%0.371SS..THydrogen-bonded Turntrans77.70.6176.200000115.4F235 E236 H249 V253F235-G251 CarbonylContact C-O 3.42Å; F235-G251 VanDerWaalsContact CA-O 3.3Å; F235-G251 WeakPolarHBondContact CA-O 3.26Å; E236-G251 PolarHBondContact N-O 2.9Å; H249-G251 PolarHBondContact O-N 2.88Å; G251-V253 PolarHBondContact O-N 3.02Å
252H88.1Confident74.8Confident28 Ų2858.6 Ų58.613%0.1334%0.342CS..EExtended strand (participates in β ladder)trans-62.2120.1175.1-179.8-127.1000111.4F234 F235 H249 P250 G254 T255 R280F234-H252 PolarHBondContact O-CD2 3Å; F235-H252 HydrophobicContact CD1-CB 3.97Å; F235-H252 HydrophobicContact CE1-CB 3.82Å; H249-H252 HydrophobicContact CB-CB 4.04Å; H249-H252 WeakPolarHBondContact O-CB 3.21Å; H249-H252 PolarHBondContact O-N 3.14Å; P250-H252 VanDerWaalsContact C-N 3.28Å; P250-H252 PolarHBondContact O-N 3.39Å; H252-G254 PolarHBondContact NE2-O 3.46Å; H252-T255 PolarHBondContact NE2-OG1 3.11Å; H252-R280 VanDerWaalsContact ND1-CD 3.33Å; H252-R280 WeakPolarHBondContact ND1-CD 3.43Å; H252-R280 WeakPolarHBondContact O-CD 3.08Å
253V89.4Confident77.2Confident7 Ų751 Ų514%0.04231%0.307CS..EExtended strand (participates in β ladder)trans-105-26.9-176.2-65.50000113.7Y150 F155 F234 E236 G251 G279 R280 I286Y150-V253 HydrophobicContact CD1-CG1 4.29Å; Y150-V253 HydrophobicContact CE1-CB 4.39Å; Y150-V253 HydrophobicContact CE1-CG1 3.79Å; F155-V253 HydrophobicContact CD1-CG2 4.02Å; F155-V253 HydrophobicContact CE1-CG2 3.78Å; F234-V253 HydrophobicContact CB-CG2 3.62Å; F234-V253 WeakPolarHBondContact O-CG2 2.78Å; F234-V253 PolarHBondContact O-N 3.17Å; E236-V253 HydrophobicContact CB-CG1 3.71Å; G251-V253 PolarHBondContact O-N 3.02Å; V253-G279 WeakPolarHBondContact O-CA 3.46Å; V253-R280 PolarHBondContact O-N 3.49Å; V253-I286 HydrophobicContact CB-CD1 4.21Å; V253-I286 HydrophobicContact CG2-CD1 3.99Å
254G92.4Very high78.8Confident0 Ų051.8 Ų51.80%031%0.308CS..EExtended strand (participates in β ladder)trans168.1179.5-173.500000113.9F234 H252 M278F234-G254 PolarHBondContact N-O 2.87Å; H252-G254 PolarHBondContact NE2-O 3.46Å; G254-M278 CarbonylContact C-O 3.55Å; G254-M278 WeakPolarHBondContact CA-O 3.35Å
255T95.5Very high80.5Confident41 Ų4153.8 Ų53.825%0.25231%0.31SS..EExtended strand (participates in β ladder)trans-141.4145.3-169.3-59.60000110.8T231 F232 H252 M278T231-T255 HydrophobicContact CG2-CG2 3.43Å; T231-T255 VanDerWaalsContact CG2-CG2 3.43Å; F232-T255 CarbonylContact O-C 3.58Å; F232-T255 VanDerWaalsContact O-CA 3.3Å; F232-T255 WeakPolarHBondContact O-CA 3.21Å; H252-T255 PolarHBondContact NE2-OG1 3.11Å; T255-M278 PolarHBondContact N-O 2.74Å; T255-M278 PolarHBondContact O-N 3.47Å
256A97Very high82.3Confident1 Ų149.1 Ų49.11%0.00829%0.292CS..EExtended strand (participates in β ladder)trans-124.5130.8166.200000109F232 F234 L275 P276 I277 V289F232-A256 HydrophobicContact CB-CB 4.41Å; F232-A256 PolarHBondContact N-O 3.36Å; F232-A256 PolarHBondContact O-N 2.99Å; F234-A256 HydrophobicContact CE2-CB 3.89Å; A256-L275 HydrophobicContact CB-CB 3.96Å; A256-L275 HydrophobicContact CB-CD1 4.44Å; A256-P276 WeakPolarHBondContact CB-O 3.34Å; A256-I277 HydrophobicContact CB-CG1 4.46Å; A256-V289 HydrophobicContact CB-CG1 3.7Å
257C95.9Very high83.6Confident55 Ų5548.1 Ų48.137%0.37228%0.281SS..EExtended strand (participates in β ladder)trans-109.7136.8-177.61750000109.9E229E229-C257 VanDerWaalsContact CD-SG 3.59Å; E229-C257 WeakPolarHBondContact CG-SG 3.23Å
258L95.4Very high84.9Confident4 Ų450.7 Ų50.72%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-123.9118.917517360.9000108.7L133 L230 F232 F263 V273 L275L133-L258 HydrophobicContact CD2-CD2 4.32Å; L230-L258 HydrophobicContact CB-CB 4.14Å; L230-L258 WeakPolarHBondContact CB-O 3.3Å; L230-L258 HydrophobicContact CD1-CD2 4.14Å; L230-L258 HydrophobicContact CD1-CG 4.33Å; L230-L258 PolarHBondContact N-O 3.16Å; L230-L258 PolarHBondContact O-N 3.04Å; F232-L258 HydrophobicContact CE2-CB 4.44Å; F232-L258 HydrophobicContact CE2-CD2 4.49Å; L258-F263 HydrophobicContact CD1-CE1 4.46Å; L258-F263 HydrophobicContact CD2-CE1 4.12Å; L258-F263 HydrophobicContact CD2-CZ 3.75Å; L258-F263 HydrophobicContact CG-CZ 4.29Å; L258-V273 HydrophobicContact CD1-CG1 4.12Å; L258-V273 HydrophobicContact CD1-CG2 4.12Å; L258-V273 HydrophobicContact CD2-CG1 4.06Å; L258-L275 HydrophobicContact CB-CD1 3.76Å; L258-L275 HydrophobicContact CB-CD2 4.43Å; L258-L275 HydrophobicContact CD1-CD2 4.24Å
259L94Very high86.6Confident79 Ų7945.2 Ų45.241%0.41427%0.267SS..EExtended strand (participates in β ladder)trans-84.5125.6170.7-59.2179.6000108.8E229 S261 S262E229-L259 HydrophobicContact CB-CD2 4.3Å; E229-L259 HydrophobicContact CG-CD2 4.11Å; L259-S261 PolarHBondContact O-N 2.88Å; L259-S262 VanDerWaalsContact O-CB 3.28Å; L259-S262 WeakPolarHBondContact O-CB 3.38Å; L259-S262 PolarHBondContact O-N 2.91Å; L259-S262 VanDerWaalsContact O-N 3.14Å; L259-S262 PolarHBondContact O-OG 2.89Å
260S91.1Very high88Confident1 Ų144.6 Ų44.61%0.00727%0.268CS..THydrogen-bonded Turntrans-68.7-22.1-176.870.60000113P225 D226 N227 L228 S262 F263P225-S260 WeakPolarHBondContact O-CB 3.34Å; P225-S260 PolarHBondContact O-OG 2.6Å; D226-S260 VanDerWaalsContact C-OG 3.29Å; N227-S260 PolarHBondContact N-OG 3.23Å; L228-S260 WeakPolarHBondContact CB-OG 3.17Å; L228-S260 PolarHBondContact N-OG 3.38Å; L228-S260 PolarHBondContact O-N 3.1Å; L228-S260 PolarHBondContact O-OG 2.86Å; S260-S262 PolarHBondContact O-N 2.62Å; S260-S262 VanDerWaalsContact O-N 3.08Å; S260-F263 WeakPolarHBondContact O-CB 3.34Å; S260-F263 WeakPolarHBondContact O-CD2 3.32Å; S260-F263 WeakPolarHBondContact O-CG 3.47Å; S260-F263 PolarHBondContact O-N 2.92Å
261S90Very high89.2Confident31 Ų3143.6 Ų43.622%0.21727%0.267CS..Hα-helixtrans-52.5-30.2170.177.30000112.8D226 L259 F263 L264 E265D226-S261 WeakPolarHBondContact O-CB 3.34Å; D226-S261 PolarHBondContact O-N 3.38Å; L259-S261 PolarHBondContact O-N 2.88Å; S261-F263 PolarHBondContact O-N 3.27Å; S261-F263 VanDerWaalsContact O-N 3.15Å; S261-L264 PolarHBondContact O-N 3.3Å; S261-L264 VanDerWaalsContact O-N 3.11Å; S261-E265 WeakPolarHBondContact CB-OE1 3.33Å; S261-E265 WeakPolarHBondContact O-CG 3.43Å; S261-E265 PolarHBondContact O-N 2.93Å; S261-E265 PolarHBondContact OG-OE1 2.83Å
262S88.2Confident89.8Confident22 Ų2245.2 Ų45.215%0.15427%0.269CS..Hα-helixtrans-60.6-25.4178.869.30000113.2L259 S260 N266L259-S262 VanDerWaalsContact O-CB 3.28Å; L259-S262 WeakPolarHBondContact O-CB 3.38Å; L259-S262 PolarHBondContact O-N 2.91Å; L259-S262 VanDerWaalsContact O-N 3.14Å; L259-S262 PolarHBondContact O-OG 2.89Å; S260-S262 PolarHBondContact O-N 2.62Å; S260-S262 VanDerWaalsContact O-N 3.08Å; S262-N266 VanDerWaalsContact O-CB 3.26Å; S262-N266 WeakPolarHBondContact O-CB 3.48Å; S262-N266 PolarHBondContact O-N 3.11Å; S262-N266 VanDerWaalsContact O-N 3.1Å; S262-N266 PolarHBondContact O-ND2 3.14Å
263F88.7Confident90.1Very high2 Ų245.2 Ų45.21%0.00927%0.271CS..Hα-helixtrans-66.2-45.9175.9-54.4-45.2000111.2I131 L133 L230 L258 S260 S261 G267 Y293 V295I131-F263 HydrophobicContact CD1-CD2 4.39Å; I131-F263 HydrophobicContact CD1-CE2 4.14Å; I131-F263 HydrophobicContact CG2-CD2 4.47Å; I131-F263 HydrophobicContact CG2-CE2 3.78Å; I131-F263 HydrophobicContact CG2-CZ 4.2Å; L133-F263 HydrophobicContact CD2-CZ 3.97Å; L230-F263 HydrophobicContact CD1-CE2 4.46Å; L230-F263 HydrophobicContact CD1-CZ 4.5Å; L258-F263 HydrophobicContact CD1-CE1 4.46Å; L258-F263 HydrophobicContact CD2-CE1 4.12Å; L258-F263 HydrophobicContact CD2-CZ 3.75Å; L258-F263 HydrophobicContact CG-CZ 4.29Å; S260-F263 WeakPolarHBondContact O-CB 3.34Å; S260-F263 WeakPolarHBondContact O-CD2 3.32Å; S260-F263 WeakPolarHBondContact O-CG 3.47Å; S260-F263 PolarHBondContact O-N 2.92Å; S261-F263 PolarHBondContact O-N 3.27Å; S261-F263 VanDerWaalsContact O-N 3.15Å; F263-G267 PolarHBondContact O-N 3.3Å; F263-Y293 HydrophobicContact CD1-CD1 4.37Å; F263-Y293 AromaticContact CD1-CD2 3.54Å; F263-Y293 HydrophobicContact CD1-CD2 3.54Å; F263-Y293 HydrophobicContact CD1-CE1 4.38Å; F263-Y293 AromaticContact CD1-CE2 3.56Å; F263-Y293 HydrophobicContact CD1-CE2 3.56Å; F263-Y293 AromaticContact CD1-CG 3.97Å; F263-Y293 HydrophobicContact CD1-CG 3.97Å; F263-Y293 AromaticContact CD1-CZ 4Å; F263-Y293 HydrophobicContact CE1-CD1 4.07Å; F263-Y293 AromaticContact CE1-CD2 3.66Å; F263-Y293 HydrophobicContact CE1-CD2 3.66Å; F263-Y293 HydrophobicContact CE1-CE1 4.47Å; F263-Y293 HydrophobicContact CE1-CE2 4.11Å; F263-Y293 AromaticContact CE1-CG 3.64Å; F263-Y293 HydrophobicContact CE1-CG 3.64Å; F263-Y293 HydrophobicContact CG-CD2 4.37Å; F263-Y293 HydrophobicContact CG-CE2 4.34Å; F263-V295 HydrophobicContact CB-CG2 3.96Å; F263-V295 HydrophobicContact CD1-CG2 4.32Å; F263-V295 HydrophobicContact CD2-CG2 4.01Å; F263-V295 HydrophobicContact CG-CG2 3.85Å
264L83Confident90.4Very high105 Ų10548.3 Ų48.355%0.5529%0.291SS..Hα-helixtrans-68.2-46.6177.2-178.967.2000111.4S261 N266 G267S261-L264 PolarHBondContact O-N 3.3Å; S261-L264 VanDerWaalsContact O-N 3.11Å; L264-N266 VanDerWaalsContact C-N 3.25Å; L264-N266 PolarHBondContact O-N 2.62Å; L264-G267 PolarHBondContact O-N 2.88Å
265E84.6Confident90.6Very high144 Ų14449 Ų4967%0.67329%0.294SS*.Hα-helixtrans-59.2-36.4-179.2-70.2167.6-152.100112.6S261 G267S261-E265 WeakPolarHBondContact CB-OE1 3.33Å; S261-E265 WeakPolarHBondContact O-CG 3.43Å; S261-E265 PolarHBondContact O-N 2.93Å; S261-E265 PolarHBondContact OG-OE1 2.83Å; E265-G267 VanDerWaalsContact C-N 3.28Å; E265-G267 PolarHBondContact O-N 3.12Å
266N78.4Confident90.7Very high100 Ų10050.3 Ų50.354%0.53530%0.303SS..THydrogen-bonded Turntrans-77.8-11.6177.6-71.2-37.7000113.4S262 L264 N268S262-N266 VanDerWaalsContact O-CB 3.26Å; S262-N266 WeakPolarHBondContact O-CB 3.48Å; S262-N266 PolarHBondContact O-N 3.11Å; S262-N266 VanDerWaalsContact O-N 3.1Å; S262-N266 PolarHBondContact O-ND2 3.14Å; L264-N266 VanDerWaalsContact C-N 3.25Å; L264-N266 PolarHBondContact O-N 2.62Å; N266-N268 PolarHBondContact O-N 3.23Å; N266-N268 VanDerWaalsContact O-N 3.16Å; N266-N268 PolarHBondContact O-ND2 3.25Å
267G79.3Confident90.6Very high58 Ų5850.3 Ų50.360%0.59830%0.303SS*.THydrogen-bonded Turntrans65.212.4-179.400000115F263 L264 E265F263-G267 PolarHBondContact O-N 3.3Å; L264-G267 PolarHBondContact O-N 2.88Å; E265-G267 VanDerWaalsContact C-N 3.28Å; E265-G267 PolarHBondContact O-N 3.12Å
268N84.9Confident90.6Very high94 Ų9451.6 Ų51.650%0.50331%0.305SS..  trans-121.7118.9-176.6-71.9-41.8000109.8N266 T270 Y293N266-N268 PolarHBondContact O-N 3.23Å; N266-N268 VanDerWaalsContact O-N 3.16Å; N266-N268 PolarHBondContact O-ND2 3.25Å; N268-T270 PolarHBondContact O-N 2.78Å; N268-Y293 VanDerWaalsContact O-CE2 3.28Å; N268-Y293 WeakPolarHBondContact O-CE2 3.28Å; N268-Y293 PolarHBondContact O-OH 3.49Å
269D93.3Very high90.4Very high24 Ų2451.8 Ų51.813%0.12831%0.307CS..SBendtrans-77.5-6.1176.3-68.4-53.4000113.3L294 V295 R297 N476 N478D269-L294 CarbonylContact O-C 3.59Å; D269-L294 VanDerWaalsContact O-CA 3.28Å; D269-L294 WeakPolarHBondContact O-CA 3.49Å; D269-V295 HydrophobicContact CB-CB 4.4Å; D269-V295 PolarHBondContact O-N 2.89Å; D269-R297 IonicContact OD1-CZ 3.67Å; D269-R297 IonicContact OD1-NH1 3.01Å; D269-R297 PolarHBondContact OD1-NH1 2.98Å; D269-N476 PolarHBondContact OD2-ND2 3.21Å; D269-N476 PolarHBondContact OD2-OD1 3.45Å; D269-N478 WeakPolarHBondContact CB-ND2 3.35Å; D269-N478 PolarHBondContact OD2-ND2 3.48Å
270T93.1Very high90Very high58 Ų5852.7 Ų52.736%0.35631%0.305SS..EExtended strand (participates in β ladder)trans-144.8144.9179.4-178.80000110.2N268 Y293N268-T270 PolarHBondContact O-N 2.78Å; T270-Y293 VanDerWaalsContact CA-O 3.3Å; T270-Y293 WeakPolarHBondContact CA-O 3.12Å; T270-Y293 PolarHBondContact OG1-O 3.1Å
271G91.4Very high89.4Confident27 Ų2760 Ų6028%0.27834%0.344SS..EExtended strand (participates in β ladder)trans162.7-161.1179.800000114.4D292 Y293G271-D292 CarbonylContact O-C 3.58Å; G271-D292 WeakPolarHBondContact O-CA 3.44Å; G271-Y293 VanDerWaalsContact C-CE1 3.5Å; G271-Y293 PolarHBondContact N-O 3.09Å; G271-Y293 WeakPolarHBondContact O-CD1 3.47Å; G271-Y293 PolarHBondContact O-N 3.42Å
272V92.6Very high88.5Confident68 Ų6860.7 Ų60.741%0.41235%0.35SS..EExtended strand (participates in β ladder)trans-129.8120.8178.3-174.30000110R290 V291 D292V272-R290 HydrophobicContact CG1-CB 4.18Å; V272-V291 WeakPolarHBondContact CA-O 3.26Å; V272-D292 VanDerWaalsContact CG1-OD1 3.3Å; V272-D292 WeakPolarHBondContact CG1-OD1 3.38Å; V272-D292 HydrophobicContact CG2-CB 4.47Å; V272-D292 WeakPolarHBondContact CG2-OD1 3.4Å
273V93.9Very high88Confident28 Ų2871.6 Ų71.617%0.1739%0.387CS..EExtended strand (participates in β ladder)trans-96.2140.4171.166.20000110.3L258 L275 R290 V291L258-V273 HydrophobicContact CD1-CG1 4.12Å; L258-V273 HydrophobicContact CD1-CG2 4.12Å; L258-V273 HydrophobicContact CD2-CG1 4.06Å; V273-L275 HydrophobicContact CG1-CD1 4.49Å; V273-L275 HydrophobicContact CG1-CG 4.39Å; V273-L275 HydrophobicContact CG2-CD2 3.66Å; V273-L275 HydrophobicContact CG2-CG 4.14Å; V273-R290 WeakPolarHBondContact O-CA 3.37Å; V273-V291 HydrophobicContact CG1-CB 3.8Å; V273-V291 HydrophobicContact CG1-CG2 4.42Å; V273-V291 PolarHBondContact N-O 3.14Å; V273-V291 PolarHBondContact O-N 2.97Å
274T95.7Very high88Confident73 Ų7376.9 Ų76.945%0.44841%0.412SS..EExtended strand (participates in β ladder)trans-116.1112.8175.5-61.30000109.8K288 V289 R290T274-K288 HydrophobicContact CG2-CB 4.14Å; T274-K288 HydrophobicContact CG2-CD 3.82Å; T274-K288 HydrophobicContact CG2-CG 4.34Å; T274-V289 CarbonylContact C-O 3.36Å; T274-V289 WeakPolarHBondContact CA-O 3.49Å; T274-R290 HydrophobicContact CG2-CG 4.44Å
275L96.7Very high88.5Confident15 Ų1575 Ų758%0.07941%0.405CS..EExtended strand (participates in β ladder)trans-107.7139.2-173.8-53.8167.2000110.7F232 A256 L258 V273 K288 V289 V291F232-L275 HydrophobicContact CD2-CD1 4.29Å; F232-L275 HydrophobicContact CE2-CD1 4.33Å; A256-L275 HydrophobicContact CB-CB 3.96Å; A256-L275 HydrophobicContact CB-CD1 4.44Å; L258-L275 HydrophobicContact CB-CD1 3.76Å; L258-L275 HydrophobicContact CB-CD2 4.43Å; L258-L275 HydrophobicContact CD1-CD2 4.24Å; V273-L275 HydrophobicContact CG1-CD1 4.49Å; V273-L275 HydrophobicContact CG1-CG 4.39Å; V273-L275 HydrophobicContact CG2-CD2 3.66Å; V273-L275 HydrophobicContact CG2-CG 4.14Å; L275-K288 CarbonylContact O-C 3.48Å; L275-K288 WeakPolarHBondContact O-CA 3.43Å; L275-K288 WeakPolarHBondContact O-CB 3.5Å; L275-V289 HydrophobicContact CB-CG1 3.82Å; L275-V289 HydrophobicContact CD1-CG1 4.32Å; L275-V289 PolarHBondContact N-O 3.22Å; L275-V289 PolarHBondContact O-N 2.9Å; L275-V291 HydrophobicContact CD1-CG2 4.19Å
276P96.8Very high89Confident68 Ų6868.2 Ų68.244%0.44237%0.373SS..EExtended strand (participates in β ladder)trans-70.2136.9170.529.7-32.4000110.6A256 T285A256-P276 WeakPolarHBondContact CB-O 3.34Å; P276-T285 HydrophobicContact CB-CG2 3.71Å
277I96.7Very high89.8Confident0 Ų063.8 Ų63.80%035%0.351CS..EExtended strand (participates in β ladder)trans-89.8109.6171.2-52.9168.6000107.4V143 I145 F234 A256 T285 I286 G287 V289V143-I277 HydrophobicContact CG1-CD1 3.9Å; I145-I277 HydrophobicContact CD1-CD1 4.31Å; F234-I277 HydrophobicContact CD1-CD1 4.17Å; F234-I277 HydrophobicContact CD2-CG1 4.4Å; F234-I277 HydrophobicContact CD2-CG2 3.69Å; F234-I277 HydrophobicContact CE1-CD1 3.8Å; F234-I277 HydrophobicContact CE1-CG1 4.39Å; F234-I277 HydrophobicContact CE2-CD1 4.19Å; F234-I277 HydrophobicContact CE2-CG1 3.91Å; F234-I277 HydrophobicContact CE2-CG2 3.99Å; F234-I277 HydrophobicContact CG-CG2 4.13Å; F234-I277 HydrophobicContact CZ-CD1 3.82Å; F234-I277 HydrophobicContact CZ-CG1 3.92Å; A256-I277 HydrophobicContact CB-CG1 4.46Å; I277-T285 CarbonylContact O-C 3.51Å; I277-T285 VanDerWaalsContact O-CA 3.29Å; I277-T285 WeakPolarHBondContact O-CA 3.2Å; I277-I286 HydrophobicContact CB-CG1 3.85Å; I277-I286 HydrophobicContact CG2-CD1 3.71Å; I277-I286 HydrophobicContact CG2-CG1 3.55Å; I277-I286 PolarHBondContact O-N 3.15Å; I277-G287 PolarHBondContact N-O 3.12Å; I277-V289 HydrophobicContact CD1-CB 4.3Å; I277-V289 HydrophobicContact CG1-CB 4.29Å; I277-V289 HydrophobicContact CG1-CG1 4.33Å
278M95.7Very high90.5Very high82 Ų8265.7 Ų65.740%0.40434%0.343SS..EExtended strand (participates in β ladder)trans-81.6124.2178.7-61.2-58.4-70.500109.6G254 T255 T285G254-M278 CarbonylContact C-O 3.55Å; G254-M278 WeakPolarHBondContact CA-O 3.35Å; T255-M278 PolarHBondContact N-O 2.74Å; T255-M278 PolarHBondContact O-N 3.47Å; M278-T285 HydrophobicContact SD-CG2 3.73Å
279G91.4Very high91.1Very high8 Ų861.2 Ų61.28%0.08232%0.319CS..EExtended strand (participates in β ladder)trans-69.7140.5-179.200000112.4V253 N281 S282 Q284V253-G279 WeakPolarHBondContact O-CA 3.46Å; G279-N281 VanDerWaalsContact C-N 3.33Å; G279-N281 PolarHBondContact O-N 3.25Å; G279-S282 PolarHBondContact O-N 3.17Å; G279-Q284 PolarHBondContact N-O 2.86Å; G279-Q284 VanDerWaalsContact N-O 3.12Å
280R83.8Confident91.3Very high98 Ų9862.6 Ų62.637%0.3732%0.323SS..THydrogen-bonded Turntrans-48.4-48.9-175.5-174.9-176.7-179.1-175.7-2.6114.2D247 H252 V253D247-R280 IonicContact OD1-CZ 3.42Å; D247-R280 IonicContact OD1-NH1 3.19Å; D247-R280 PolarHBondContact OD1-NH1 3.16Å; D247-R280 IonicContact OD1-NH2 2.73Å; D247-R280 PolarHBondContact OD1-NH2 2.83Å; D247-R280 IonicContact OD2-CZ 3.73Å; D247-R280 IonicContact OD2-NH1 2.8Å; D247-R280 PolarHBondContact OD2-NH1 2.8Å; D247-R280 IonicContact OD2-NH2 3.77Å; H252-R280 VanDerWaalsContact ND1-CD 3.33Å; H252-R280 WeakPolarHBondContact ND1-CD 3.43Å; H252-R280 WeakPolarHBondContact O-CD 3.08Å; V253-R280 PolarHBondContact O-N 3.49Å
281N79.3Confident91.4Very high154 Ų15459.9 Ų59.982%0.82431%0.306SS*.THydrogen-bonded Turntrans-106.8-1.6-174.9-61.9-26.5000113.4G279G279-N281 VanDerWaalsContact C-N 3.33Å; G279-N281 PolarHBondContact O-N 3.25Å
282S71.1Confident91.6Very high47 Ų4760.1 Ų60.133%0.32930%0.301SS..  trans-121.2126.9-177.964.20000108.8G279 Q284G279-S282 PolarHBondContact O-N 3.17Å; S282-Q284 PolarHBondContact O-N 3.46Å; S282-Q284 PolarHBondContact OG-O 3.07Å
283R78.2Confident91.7Very high250 Ų25057.6 Ų57.694%0.94328%0.284SS*.SBendtrans-6830.9167.1-62.4-174.5178.6-173.2-1.4112.8
284Q89Confident91.9Very high114 Ų11456.3 Ų56.353%0.53328%0.276SS..SBendtrans-123.7146.8-178.6-63.9-171.1-2.400109.2G279 S282G279-Q284 PolarHBondContact N-O 2.86Å; G279-Q284 VanDerWaalsContact N-O 3.12Å; S282-Q284 PolarHBondContact O-N 3.46Å; S282-Q284 PolarHBondContact OG-O 3.07Å
285T93.6Very high92Very high64 Ų6452.8 Ų52.839%0.39326%0.255SS..EExtended strand (participates in β ladder)trans-71.2137.2175.357.10000110.8K147 P276 I277 M278K147-T285 WeakPolarHBondContact CE-O 3.45Å; P276-T285 HydrophobicContact CB-CG2 3.71Å; I277-T285 CarbonylContact O-C 3.51Å; I277-T285 VanDerWaalsContact O-CA 3.29Å; I277-T285 WeakPolarHBondContact O-CA 3.2Å; M278-T285 HydrophobicContact SD-CG2 3.73Å
286I93.9Very high92Very high3 Ų352.1 Ų52.12%0.01525%0.251CS..EExtended strand (participates in β ladder)trans-96-19.5173.966.3171.1000112.8T146 K147 Y150 V253 I277T146-I286 PolarHBondContact N-O 3.32Å; T146-I286 PolarHBondContact OG1-O 3.5Å; K147-I286 HydrophobicContact CG-CB 4.05Å; K147-I286 HydrophobicContact CG-CG2 4.15Å; K147-I286 PolarHBondContact N-O 2.9Å; Y150-I286 HydrophobicContact CD2-CB 4.18Å; Y150-I286 HydrophobicContact CD2-CD1 4.31Å; Y150-I286 HydrophobicContact CD2-CG2 4.26Å; Y150-I286 HydrophobicContact CE2-CB 4.4Å; Y150-I286 HydrophobicContact CE2-CD1 4.39Å; Y150-I286 HydrophobicContact CE2-CG2 3.99Å; V253-I286 HydrophobicContact CB-CD1 4.21Å; V253-I286 HydrophobicContact CG2-CD1 3.99Å; I277-I286 HydrophobicContact CB-CG1 3.85Å; I277-I286 HydrophobicContact CG2-CD1 3.71Å; I277-I286 HydrophobicContact CG2-CG1 3.55Å; I277-I286 PolarHBondContact O-N 3.15Å
287G94.8Very high91.9Very high7 Ų751.2 Ų51.27%0.07224%0.239CC..EExtended strand (participates in β ladder)trans175.7-158.1-176.900000111S144 I277S144-G287 CarbonylContact O-C 3.56Å; S144-G287 WeakPolarHBondContact O-CA 3.46Å; I277-G287 PolarHBondContact N-O 3.12Å
288K96Very high91.9Very high97 Ų9752 Ų5242%0.42224%0.244SC..EExtended strand (participates in β ladder)trans-140.9151.4174.261.6-175.5-177.2176.50110.8S144 T274 L275S144-K288 PolarHBondContact N-O 3.5Å; S144-K288 PolarHBondContact O-N 2.94Å; T274-K288 HydrophobicContact CG2-CB 4.14Å; T274-K288 HydrophobicContact CG2-CD 3.82Å; T274-K288 HydrophobicContact CG2-CG 4.34Å; L275-K288 CarbonylContact O-C 3.48Å; L275-K288 WeakPolarHBondContact O-CA 3.43Å; L275-K288 WeakPolarHBondContact O-CB 3.5Å
289V96.8Very high91.8Very high0 Ų048.8 Ų48.80%023%0.228CC..EExtended strand (participates in β ladder)trans-115.6140.5170.661.70000109.5L135 P142 V143 F234 A256 T274 L275 I277 V291L135-V289 HydrophobicContact CD2-CG2 3.8Å; P142-V289 CarbonylContact O-C 3.36Å; P142-V289 VanDerWaalsContact O-CA 3.28Å; P142-V289 WeakPolarHBondContact O-CA 2.91Å; V143-V289 HydrophobicContact CG2-CB 4.38Å; V143-V289 HydrophobicContact CG2-CG2 4.01Å; F234-V289 HydrophobicContact CE1-CB 4.34Å; F234-V289 HydrophobicContact CE1-CG2 4.43Å; F234-V289 HydrophobicContact CE2-CG1 4.48Å; F234-V289 HydrophobicContact CZ-CB 3.74Å; F234-V289 HydrophobicContact CZ-CG1 3.88Å; F234-V289 HydrophobicContact CZ-CG2 4.01Å; A256-V289 HydrophobicContact CB-CG1 3.7Å; T274-V289 CarbonylContact C-O 3.36Å; T274-V289 WeakPolarHBondContact CA-O 3.49Å; L275-V289 HydrophobicContact CB-CG1 3.82Å; L275-V289 HydrophobicContact CD1-CG1 4.32Å; L275-V289 PolarHBondContact N-O 3.22Å; L275-V289 PolarHBondContact O-N 2.9Å; I277-V289 HydrophobicContact CD1-CB 4.3Å; I277-V289 HydrophobicContact CG1-CB 4.29Å; I277-V289 HydrophobicContact CG1-CG1 4.33Å; V289-V291 HydrophobicContact CG1-CG2 4.39Å; V289-V291 HydrophobicContact CG2-CG2 4.1Å
290R96.4Very high91.6Very high54 Ų5454.9 Ų54.920%0.20425%0.254CS..EExtended strand (participates in β ladder)trans-104.8126.9170.8-66.4178.262.7-126.1-4.4107.6S138 P142 V272 V273 T274S138-R290 PolarHBondContact OG-NH1 3.22Å; P142-R290 PolarHBondContact O-N 3.33Å; V272-R290 HydrophobicContact CG1-CB 4.18Å; V273-R290 WeakPolarHBondContact O-CA 3.37Å; T274-R290 HydrophobicContact CG2-CG 4.44Å
291V96Very high91.6Very high0 Ų060.6 Ų60.60%028%0.282CS..EExtended strand (participates in β ladder)trans-123.3118.3179.3-169.40000107.1L133 L135 F232 V272 V273 L275 V289L133-V291 HydrophobicContact CB-CG1 3.9Å; L133-V291 HydrophobicContact CD2-CG1 4.3Å; L135-V291 HydrophobicContact CD2-CB 4.42Å; L135-V291 HydrophobicContact CD2-CG1 4.39Å; L135-V291 HydrophobicContact CD2-CG2 3.89Å; F232-V291 HydrophobicContact CE2-CG2 4.05Å; F232-V291 HydrophobicContact CZ-CG1 3.88Å; F232-V291 HydrophobicContact CZ-CG2 3.98Å; V272-V291 WeakPolarHBondContact CA-O 3.26Å; V273-V291 HydrophobicContact CG1-CB 3.8Å; V273-V291 HydrophobicContact CG1-CG2 4.42Å; V273-V291 PolarHBondContact N-O 3.14Å; V273-V291 PolarHBondContact O-N 2.97Å; L275-V291 HydrophobicContact CD1-CG2 4.19Å; V289-V291 HydrophobicContact CG1-CG2 4.39Å; V289-V291 HydrophobicContact CG2-CG2 4.1Å
292D94.9Very high92Very high33 Ų3354.9 Ų54.918%0.17625%0.251CS..EExtended strand (participates in β ladder)trans-81.1141.2171.6-67.814.4000107.7L133 R134 H136 G271 V272L133-D292 CarbonylContact C-O 3.59Å; L133-D292 WeakPolarHBondContact CA-O 3.44Å; R134-D292 HydrophobicContact CB-CB 4.24Å; R134-D292 PolarHBondContact N-O 2.92Å; R134-D292 PolarHBondContact O-N 3.18Å; H136-D292 IonicContact CD2-OD2 2.79Å; H136-D292 IonicContact CE1-OD2 2.9Å; H136-D292 PolarHBondContact CE1-OD2 2.85Å; H136-D292 IonicContact NE2-OD2 3.28Å; H136-D292 PolarHBondContact NE2-OD2 3.41Å; G271-D292 CarbonylContact O-C 3.58Å; G271-D292 WeakPolarHBondContact O-CA 3.44Å; V272-D292 VanDerWaalsContact CG1-OD1 3.3Å; V272-D292 WeakPolarHBondContact CG1-OD1 3.38Å; V272-D292 HydrophobicContact CG2-CB 4.47Å; V272-D292 WeakPolarHBondContact CG2-OD1 3.4Å
293Y95.9Very high92.7Very high14 Ų1457 Ų576%0.05526%0.256CS..EExtended strand (participates in β ladder)trans-136.4150.9-176.674.7-90.2000112.4R132 F263 N268 T270 G271 V295R132-Y293 CarbonylContact O-C 3.56Å; R132-Y293 WeakPolarHBondContact O-CA 3.21Å; F263-Y293 HydrophobicContact CD1-CD1 4.37Å; F263-Y293 AromaticContact CD1-CD2 3.54Å; F263-Y293 HydrophobicContact CD1-CD2 3.54Å; F263-Y293 HydrophobicContact CD1-CE1 4.38Å; F263-Y293 AromaticContact CD1-CE2 3.56Å; F263-Y293 HydrophobicContact CD1-CE2 3.56Å; F263-Y293 AromaticContact CD1-CG 3.97Å; F263-Y293 HydrophobicContact CD1-CG 3.97Å; F263-Y293 AromaticContact CD1-CZ 4Å; F263-Y293 HydrophobicContact CE1-CD1 4.07Å; F263-Y293 AromaticContact CE1-CD2 3.66Å; F263-Y293 HydrophobicContact CE1-CD2 3.66Å; F263-Y293 HydrophobicContact CE1-CE1 4.47Å; F263-Y293 HydrophobicContact CE1-CE2 4.11Å; F263-Y293 AromaticContact CE1-CG 3.64Å; F263-Y293 HydrophobicContact CE1-CG 3.64Å; F263-Y293 HydrophobicContact CG-CD2 4.37Å; F263-Y293 HydrophobicContact CG-CE2 4.34Å; N268-Y293 VanDerWaalsContact O-CE2 3.28Å; N268-Y293 WeakPolarHBondContact O-CE2 3.28Å; N268-Y293 PolarHBondContact O-OH 3.49Å; T270-Y293 VanDerWaalsContact CA-O 3.3Å; T270-Y293 WeakPolarHBondContact CA-O 3.12Å; T270-Y293 PolarHBondContact OG1-O 3.1Å; G271-Y293 VanDerWaalsContact C-CE1 3.5Å; G271-Y293 PolarHBondContact N-O 3.09Å; G271-Y293 WeakPolarHBondContact O-CD1 3.47Å; G271-Y293 PolarHBondContact O-N 3.42Å; Y293-V295 HydrophobicContact CD2-CG2 3.77Å; Y293-V295 HydrophobicContact CE2-CG2 4.09Å
294L97.2Very high93.4Very high1 Ų145.6 Ų45.61%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-138.7134.4169.2170.767.3000108.8I131 R132 D269 I296 M477 D505 M509I131-L294 CarbonylContact C-O 3.44Å; I131-L294 WeakPolarHBondContact CA-O 3.13Å; R132-L294 HydrophobicContact CB-CB 4.24Å; R132-L294 PolarHBondContact N-O 3.04Å; R132-L294 PolarHBondContact O-N 3.09Å; D269-L294 CarbonylContact O-C 3.59Å; D269-L294 VanDerWaalsContact O-CA 3.28Å; D269-L294 WeakPolarHBondContact O-CA 3.49Å; L294-I296 HydrophobicContact CD1-CG1 4.49Å; L294-I296 HydrophobicContact CD2-CD1 3.96Å; L294-I296 HydrophobicContact CD2-CG1 3.96Å; L294-I296 HydrophobicContact CG-CD1 4.36Å; L294-I296 HydrophobicContact CG-CG1 3.85Å; L294-M477 HydrophobicContact CD1-SD 3.78Å; L294-D505 HydrophobicContact CD2-CB 3.69Å; L294-M509 HydrophobicContact CD1-SD 4.17Å; L294-M509 HydrophobicContact CD2-CG 4.44Å; L294-M509 HydrophobicContact CD2-SD 4.2Å
295V97.6Very high93.6Very high0 Ų043.6 Ų43.60%021%0.208CC..EExtended strand (participates in β ladder)trans-121.6111.5-178.7-155.70000109.1T129 I131 F263 D269 Y293 R297 N478T129-V295 HydrophobicContact CG2-CG1 3.56Å; I131-V295 HydrophobicContact CG1-CG1 4.08Å; I131-V295 HydrophobicContact CG2-CG2 4.46Å; F263-V295 HydrophobicContact CB-CG2 3.96Å; F263-V295 HydrophobicContact CD1-CG2 4.32Å; F263-V295 HydrophobicContact CD2-CG2 4.01Å; F263-V295 HydrophobicContact CG-CG2 3.85Å; D269-V295 HydrophobicContact CB-CB 4.4Å; D269-V295 PolarHBondContact O-N 2.89Å; Y293-V295 HydrophobicContact CD2-CG2 3.77Å; Y293-V295 HydrophobicContact CE2-CG2 4.09Å; V295-R297 VanDerWaalsContact CB-NH1 3.27Å; V295-N478 PolarHBondContact O-ND2 3.24Å
296I97.7Very high93.8Very high0 Ų040.6 Ų40.60%019%0.189CC..EExtended strand (participates in β ladder)trans-104.7121-171.5-48.6172.9000108.9L125 T129 D130 R132 L294 T508 M509 L512 K513L125-I296 HydrophobicContact CD1-CB 4.24Å; L125-I296 HydrophobicContact CD1-CG2 3.73Å; T129-I296 WeakPolarHBondContact CA-O 3.47Å; T129-I296 WeakPolarHBondContact CG2-O 3.39Å; D130-I296 HydrophobicContact CB-CB 4.17Å; D130-I296 HydrophobicContact CB-CD1 4.47Å; D130-I296 PolarHBondContact N-O 3.21Å; D130-I296 PolarHBondContact O-N 3.38Å; R132-I296 HydrophobicContact CG-CD1 4.49Å; L294-I296 HydrophobicContact CD1-CG1 4.49Å; L294-I296 HydrophobicContact CD2-CD1 3.96Å; L294-I296 HydrophobicContact CD2-CG1 3.96Å; L294-I296 HydrophobicContact CG-CD1 4.36Å; L294-I296 HydrophobicContact CG-CG1 3.85Å; I296-T508 HydrophobicContact CD1-CG2 4.25Å; I296-M509 HydrophobicContact CB-CG 4.44Å; I296-M509 HydrophobicContact CD1-CG 3.65Å; I296-M509 HydrophobicContact CG1-CE 4.48Å; I296-M509 HydrophobicContact CG1-CG 3.79Å; I296-M509 HydrophobicContact CG1-SD 4.43Å; I296-M509 HydrophobicContact CG2-CB 4.38Å; I296-M509 HydrophobicContact CG2-CE 4.19Å; I296-M509 HydrophobicContact CG2-CG 3.86Å; I296-L512 HydrophobicContact CD1-CD1 3.7Å; I296-L512 HydrophobicContact CG2-CB 4.49Å; I296-L512 HydrophobicContact CG2-CD1 4.45Å; I296-K513 HydrophobicContact CG2-CG 4.47Å
297R95.2Very high93.8Very high49 Ų4942 Ų4219%0.18520%0.2CC..  trans-109.4155-177.9-69175.1167.558.411.1111.1T129 D269 V295 N478 K513T129-R297 HydrophobicContact CG2-CG 4.34Å; D269-R297 IonicContact OD1-CZ 3.67Å; D269-R297 IonicContact OD1-NH1 3.01Å; D269-R297 PolarHBondContact OD1-NH1 2.98Å; V295-R297 VanDerWaalsContact CB-NH1 3.27Å; R297-N478 PolarHBondContact N-OD1 3.15Å; R297-K513 PolarHBondContact O-NZ 2.84Å
298P94.8Very high93.8Very high16 Ų1642.9 Ų42.910%0.10420%0.204CC..PPolyproline II helixtrans-67.8153.3172.929.9-34.4000110.4L125 Q128 Q300L125-P298 HydrophobicContact CB-CB 4.02Å; L125-P298 VanDerWaalsContact O-CB 3.32Å; L125-P298 WeakPolarHBondContact O-CB 3.31Å; Q128-P298 WeakPolarHBondContact O-CD 3.14Å; P298-Q300 PolarHBondContact O-N 2.99Å
299I94.7Very high93.7Very high16 Ų1638.8 Ų38.88%0.08219%0.188CC..PPolyproline II helixtrans-64.3123.9175.9-54.6177.3000108.8L302 D482 L485 K513I299-L302 HydrophobicContact CB-CB 4.36Å; I299-L302 HydrophobicContact CD1-CD2 4.2Å; I299-L302 HydrophobicContact CG2-CB 3.73Å; I299-L302 HydrophobicContact CG2-CD2 4.22Å; I299-D482 HydrophobicContact CG2-CB 4.21Å; I299-L485 HydrophobicContact CD1-CB 3.83Å; I299-L485 HydrophobicContact CD1-CD1 3.95Å; I299-K513 HydrophobicContact CD1-CB 4.15Å; I299-K513 HydrophobicContact CG1-CB 4.01Å; I299-K513 HydrophobicContact CG1-CD 4.42Å; I299-K513 HydrophobicContact CG1-CG 4.35Å
300Q87.3Confident93.6Very high135 Ų13542.5 Ų42.563%0.63120%0.202SC*.THydrogen-bonded Turntrans-72.8137.5178.7-65.1-63.9-33.200110.9P298 L302P298-Q300 PolarHBondContact O-N 2.99Å; Q300-L302 PolarHBondContact O-N 3.42Å; Q300-L302 VanDerWaalsContact O-N 3.1Å
301K84.1Confident93.4Very high218 Ų21840 Ų4095%0.94819%0.193SC*.THydrogen-bonded Turntrans64.85.2174.4-50.6173.4-178173.70116.1
302L87.8Confident93.2Very high35 Ų3543.4 Ų43.418%0.18321%0.208CC..  trans-114126.2171.6-172.867.6000109.5I299 Q300 T486 L489 L490I299-L302 HydrophobicContact CB-CB 4.36Å; I299-L302 HydrophobicContact CD1-CD2 4.2Å; I299-L302 HydrophobicContact CG2-CB 3.73Å; I299-L302 HydrophobicContact CG2-CD2 4.22Å; Q300-L302 PolarHBondContact O-N 3.42Å; Q300-L302 VanDerWaalsContact O-N 3.1Å; L302-T486 HydrophobicContact CD2-CG2 4.43Å; L302-L489 HydrophobicContact CD2-CB 4.17Å; L302-L489 HydrophobicContact CD2-CD1 3.48Å; L302-L489 VanDerWaalsContact CD2-CD1 3.48Å; L302-L489 HydrophobicContact CD2-CG 4.46Å; L302-L490 HydrophobicContact CD1-CD2 4.26Å
303Q85.9Confident92.9Very high90 Ų9045.7 Ų45.742%0.42122%0.217SC..  trans-108.9121.4174.7-68.6-172.7-1500109.3N33N33-Q303 PolarHBondContact ND2-OE1 3.41Å
304C92.8Very high92.6Very high11 Ų1147.2 Ų47.27%0.07422%0.223CC..  trans-74123.6168.4-68.20000109.1W124 N515W124-C304 HydrophobicContact CZ2-CB 3.8Å; W124-C304 WeakPolarHBondContact CZ2-O 3.37Å; C304-N515 VanDerWaalsContact CB-OD1 3.26Å; C304-N515 WeakPolarHBondContact CB-OD1 3.42Å
305D93.2Very high92.2Very high73 Ų7349.9 Ų49.939%0.3924%0.24SC..  trans-78.2168.6173.17938.8000111.4W32 S307 N515W32-D305 HydrophobicContact CB-CB 3.9Å; W32-D305 WeakPolarHBondContact O-CA 3.35Å; D305-S307 VanDerWaalsContact OD1-CB 3.23Å; D305-S307 WeakPolarHBondContact OD1-CB 3.38Å; D305-S307 PolarHBondContact OD1-N 3.38Å; D305-S307 PolarHBondContact OD1-OG 2.94Å; D305-N515 PolarHBondContact O-ND2 3.41Å
306M96.3Very high91.5Very high0 Ų059.6 Ų59.60%028%0.282CS..SBendtrans-103.817.3180-59.2-172.175.500113.1V23 W32 Y34 R65 F67 V85 W88 W124V23-M306 HydrophobicContact CG1-CB 3.9Å; V23-M306 HydrophobicContact CG1-CG 4.33Å; V23-M306 HydrophobicContact CG1-SD 3.73Å; W32-M306 HydrophobicContact CE3-CB 4.31Å; W32-M306 PolarHBondContact O-N 2.99Å; Y34-M306 VanDerWaalsContact CB-SD 3.54Å; R65-M306 WeakPolarHBondContact CD-O 3.4Å; R65-M306 PolarHBondContact NE-O 3.34Å; R65-M306 VanDerWaalsContact NE-O 3.17Å; F67-M306 HydrophobicContact CB-CE 3.81Å; F67-M306 HydrophobicContact CD1-CE 3.93Å; F67-M306 HydrophobicContact CD1-SD 3.93Å; F67-M306 HydrophobicContact CE1-SD 4.17Å; F67-M306 HydrophobicContact CG-CE 3.98Å; F67-M306 HydrophobicContact CG-SD 4.41Å; V85-M306 HydrophobicContact CG1-CE 4.21Å; W88-M306 HydrophobicContact CB-CE 3.49Å; W88-M306 VanDerWaalsContact CB-CE 3.49Å; W88-M306 HydrophobicContact CD2-CE 3.69Å; W88-M306 HydrophobicContact CE3-CB 4.44Å; W88-M306 HydrophobicContact CE3-CE 3.46Å; W88-M306 VanDerWaalsContact CE3-CE 3.46Å; W88-M306 HydrophobicContact CG-CE 3.75Å; W88-M306 HydrophobicContact CZ3-CB 4.12Å; W88-M306 HydrophobicContact CZ3-CE 4.24Å; W124-M306 HydrophobicContact CH2-CG 3.92Å; W124-M306 HydrophobicContact CH2-SD 4.42Å
307S95.4Very high91Very high34 Ų3462 Ų6224%0.23829%0.291CS..SBendtrans-67.9-42.2-175.366.90000112.2R65 D305R65-S307 PolarHBondContact NE-O 3.02Å; R65-S307 PolarHBondContact NH2-O 2.98Å; R65-S307 VanDerWaalsContact NH2-O 3.14Å; D305-S307 VanDerWaalsContact OD1-CB 3.23Å; D305-S307 WeakPolarHBondContact OD1-CB 3.38Å; D305-S307 PolarHBondContact OD1-N 3.38Å; D305-S307 PolarHBondContact OD1-OG 2.94Å
308S93.6Very high90.7Very high25 Ų2563.6 Ų63.618%0.17531%0.309CS..  trans-148148.1-173.855.90000111.5
309S94.3Very high90.7Very high10 Ų1063.7 Ų63.77%0.0731%0.31CS..  trans-144.5140.1170.7179.80000110.9W88 T311 N515W88-S309 VanDerWaalsContact CZ2-CB 3.48Å; S309-T311 PolarHBondContact OG-N 3.28Å; S309-T311 PolarHBondContact OG-OG1 2.94Å; S309-T311 VanDerWaalsContact OG-OG1 3.1Å; S309-N515 WeakPolarHBondContact CB-O 2.85Å; S309-N515 PolarHBondContact OG-O 2.61Å
310Y94.1Very high90.7Very high78 Ų7863 Ų6331%0.30631%0.306SS..  trans-124.99.3175.7-51.3-77.8000111.8H92 K312 H313 K516 P518H92-Y310 AromaticContact CE1-CE1 3.94Å; H92-Y310 AromaticContact ND1-CE1 3.86Å; Y310-K312 PolarHBondContact O-N 2.81Å; Y310-H313 HydrophobicContact CD1-CB 4.28Å; Y310-H313 PolarHBondContact O-N 3.23Å; Y310-K516 CarbonylContact C-O 3.58Å; Y310-K516 VanDerWaalsContact CA-O 3.29Å; Y310-K516 WeakPolarHBondContact CA-O 3.43Å; Y310-K516 VanDerWaalsContact CB-O 3.28Å; Y310-K516 WeakPolarHBondContact CB-O 3.36Å; Y310-K516 HydrophobicContact CD2-CG 4.35Å; Y310-K516 PolarHBondContact N-O 2.98Å; Y310-P518 WeakPolarHBondContact O-CD 3.4Å
311T93.1Very high91Very high2 Ų258.6 Ų58.61%0.01229%0.287CS..THydrogen-bonded Turntrans-52.2-35.1-174.250.60000113.6D121 S309 N515 K516 P518D121-T311 PolarHBondContact OD2-OG1 3.23Å; S309-T311 PolarHBondContact OG-N 3.28Å; S309-T311 PolarHBondContact OG-OG1 2.94Å; S309-T311 VanDerWaalsContact OG-OG1 3.1Å; T311-N515 WeakPolarHBondContact CG2-O 3.23Å; T311-K516 PolarHBondContact N-O 3.37Å; T311-P518 WeakPolarHBondContact O-CB 3.33Å
312K90.4Very high91.6Very high72 Ų7248.2 Ų48.231%0.31324%0.242SC..THydrogen-bonded Turntrans-123.310.3177.7-62.4-62.9-60.4-153.70112.8Y310 N552 I553Y310-K312 PolarHBondContact O-N 2.81Å; K312-N552 WeakPolarHBondContact CD-O 3.42Å; K312-N552 VanDerWaalsContact CD-OD1 3.25Å; K312-N552 WeakPolarHBondContact CD-OD1 3.37Å; K312-N552 WeakPolarHBondContact CE-OD1 3.46Å; K312-N552 PolarHBondContact NZ-OD1 3.13Å; K312-I553 PolarHBondContact NZ-O 3.14Å
313H89.1Confident92Very high80 Ų8046.6 Ų46.637%0.3723%0.233SC..  trans-87.1118.3-176.9-176.679.7000110.6Y310 T315Y310-H313 HydrophobicContact CD1-CB 4.28Å; Y310-H313 PolarHBondContact O-N 3.23Å; H313-T315 PolarHBondContact NE2-OG1 3.3Å; H313-T315 VanDerWaalsContact NE2-OG1 3.17Å
314W91.2Very high92.4Very high47 Ų4744 Ų4418%0.17822%0.221CC..  trans-133.7119.3164.4-172-110000109.1K316 V320 F356 I498 L554 V579 F581 D602W314-K316 PolarHBondContact O-N 3.26Å; W314-V320 HydrophobicContact CH2-CG1 4.12Å; W314-V320 HydrophobicContact CH2-CG2 3.81Å; W314-V320 HydrophobicContact CZ2-CG1 4.18Å; W314-V320 HydrophobicContact CZ2-CG2 4.13Å; W314-F356 HydrophobicContact CH2-CE2 4.49Å; W314-I498 HydrophobicContact CZ3-CD1 3.81Å; W314-L554 HydrophobicContact CB-CD1 4.26Å; W314-L554 HydrophobicContact CE3-CD2 4.37Å; W314-V579 HydrophobicContact CB-CG2 3.51Å; W314-V579 HydrophobicContact CD2-CG1 3.98Å; W314-V579 HydrophobicContact CD2-CG2 3.94Å; W314-V579 HydrophobicContact CE3-CG1 4.45Å; W314-V579 HydrophobicContact CG-CG1 4.25Å; W314-V579 HydrophobicContact CG-CG2 3.42Å; W314-V579 VanDerWaalsContact CG-CG2 3.42Å; W314-V579 HydrophobicContact CZ2-CG1 4.32Å; W314-F581 AromaticContact CH2-CE1 3.6Å; W314-F581 HydrophobicContact CH2-CE1 3.6Å; W314-F581 AromaticContact CH2-CZ 3.43Å; W314-F581 HydrophobicContact CH2-CZ 3.43Å; W314-F581 VanDerWaalsContact CH2-CZ 3.43Å; W314-F581 AromaticContact CZ2-CE1 3.78Å; W314-F581 HydrophobicContact CZ2-CE1 3.78Å; W314-F581 HydrophobicContact CZ2-CZ 4.07Å; W314-F581 HydrophobicContact CZ3-CE1 4.18Å; W314-F581 AromaticContact CZ3-CZ 3.95Å; W314-F581 HydrophobicContact CZ3-CZ 3.95Å; W314-D602 HydrophobicContact CZ2-CB 4.04Å; W314-D602 PolarHBondContact NE1-OD1 2.8Å; W314-D602 VanDerWaalsContact NE1-OD1 3.07Å
315T87.9Confident92.3Very high57 Ų5744.8 Ų44.835%0.3522%0.223SC..  trans-72.7124.4173.9-37.70000108H313 R317H313-T315 PolarHBondContact NE2-OG1 3.3Å; H313-T315 VanDerWaalsContact NE2-OG1 3.17Å; T315-R317 WeakPolarHBondContact O-CG 3.24Å; T315-R317 PolarHBondContact O-N 3.13Å; T315-R317 VanDerWaalsContact O-N 3.14Å; T315-R317 PolarHBondContact OG1-NH2 3.29Å
316K82.6Confident92.2Very high203 Ų20341.3 Ų41.388%0.88320%0.204SC*.  trans-66.2114.8173.3-170.2172.2-175172.30109.1W314W314-K316 PolarHBondContact O-N 3.26Å
317R87.9Confident91.6Very high50 Ų5041.4 Ų41.419%0.18921%0.205CC..  trans-147.7-179-176.760.5171.768.398.4-5.4110.4T315 E623T315-R317 WeakPolarHBondContact O-CG 3.24Å; T315-R317 PolarHBondContact O-N 3.13Å; T315-R317 VanDerWaalsContact O-N 3.14Å; T315-R317 PolarHBondContact OG1-NH2 3.29Å; R317-E623 WeakPolarHBondContact CD-OE1 3.45Å; R317-E623 IonicContact CZ-OE1 3.85Å; R317-E623 IonicContact CZ-OE2 3.06Å; R317-E623 IonicContact NE-OE1 2.71Å; R317-E623 PolarHBondContact NE-OE1 2.85Å; R317-E623 IonicContact NE-OE2 3.9Å; R317-E623 IonicContact NH2-OE1 3.84Å; R317-E623 IonicContact NH2-OE2 3.95Å; R317-E623 PolarHBondContact NH2-OE2 3.38Å
318S88.6Confident90.8Very high83 Ų8339.8 Ų39.858%0.5819%0.194SC*.SBendtrans-63.3151.8167.353.50000110.8V320 I619S318-V320 PolarHBondContact O-N 3.04Å; S318-I619 WeakPolarHBondContact OG-CD1 3.45Å
319T93.9Very high89.7Confident19 Ų1939.3 Ų39.312%0.11719%0.19CC..  trans-44.4129.6178.1-52.50000112.1R597 I601 D602 L604T319-R597 HydrophobicContact CG2-CG 4.16Å; T319-I601 WeakPolarHBondContact CB-O 3.28Å; T319-I601 HydrophobicContact CG2-CG2 3.67Å; T319-I601 WeakPolarHBondContact CG2-O 3.45Å; T319-I601 PolarHBondContact OG1-O 3.35Å; T319-D602 WeakPolarHBondContact CA-O 3.32Å; T319-L604 HydrophobicContact CG2-CB 4.4Å; T319-L604 HydrophobicContact CG2-CD1 3.76Å; T319-L604 HydrophobicContact CG2-CG 3.68Å
320V94.8Very high88Confident1 Ų142.7 Ų42.71%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-84.2136.2176.2-57.80000111W314 S318 V322 A355 F356 F581 D602 G603 L604 I619W314-V320 HydrophobicContact CH2-CG1 4.12Å; W314-V320 HydrophobicContact CH2-CG2 3.81Å; W314-V320 HydrophobicContact CZ2-CG1 4.18Å; W314-V320 HydrophobicContact CZ2-CG2 4.13Å; S318-V320 PolarHBondContact O-N 3.04Å; V320-V322 HydrophobicContact CG2-CG2 4.1Å; V320-A355 HydrophobicContact CB-CB 4.24Å; V320-F356 HydrophobicContact CG2-CD2 4.36Å; V320-F356 HydrophobicContact CG2-CE2 4.48Å; V320-F581 HydrophobicContact CG2-CE1 4.45Å; V320-F581 HydrophobicContact CG2-CE2 4.23Å; V320-F581 HydrophobicContact CG2-CZ 3.84Å; V320-D602 WeakPolarHBondContact CG2-O 3.44Å; V320-D602 PolarHBondContact N-O 3.22Å; V320-G603 WeakPolarHBondContact O-CA 3.02Å; V320-L604 PolarHBondContact O-N 2.83Å; V320-I619 HydrophobicContact CG1-CG2 4.38Å
321D94.4Very high86Confident43 Ų4347.1 Ų47.123%0.2323%0.234CC..EExtended strand (participates in β ladder)trans-89.8128.5172-67.8-63.9000109.9A355 R597 Y606 I609D321-A355 PolarHBondContact O-N 2.97Å; D321-R597 IonicContact OD1-CZ 3.9Å; D321-R597 IonicContact OD1-NH2 3.03Å; D321-R597 PolarHBondContact OD1-NH2 3.1Å; D321-R597 IonicContact OD2-NH2 2.57Å; D321-Y606 HydrophobicContact CB-CE1 4.14Å; D321-Y606 VanDerWaalsContact CG-OH 3.25Å; D321-Y606 VanDerWaalsContact OD1-CE1 3.24Å; D321-Y606 WeakPolarHBondContact OD1-CE1 3.45Å; D321-Y606 PolarHBondContact OD1-OH 3.07Å; D321-I609 HydrophobicContact CB-CD1 3.91Å
322V96.4Very high84Confident0 Ų048.6 Ų48.60%025%0.246CC..EExtended strand (participates in β ladder)trans-122122.2-176.8-175.60000109.1V320 H324 F356 E358 F581 L604 I605 Y606V320-V322 HydrophobicContact CG2-CG2 4.1Å; V322-H324 PolarHBondContact O-N 2.64Å; V322-F356 CarbonylContact C-O 3.57Å; V322-F356 VanDerWaalsContact CA-O 3.31Å; V322-F356 WeakPolarHBondContact CA-O 3.32Å; V322-F356 HydrophobicContact CB-CB 4.33Å; V322-F356 HydrophobicContact CG1-CB 3.8Å; V322-F356 HydrophobicContact CG2-CB 4Å; V322-F356 HydrophobicContact CG2-CD2 4.38Å; V322-E358 HydrophobicContact CG1-CB 3.72Å; V322-F581 HydrophobicContact CG2-CD2 4.45Å; V322-F581 HydrophobicContact CG2-CE2 4.01Å; V322-L604 WeakPolarHBondContact CB-O 3.28Å; V322-L604 PolarHBondContact N-O 3.17Å; V322-I605 HydrophobicContact CB-CB 4.38Å; V322-I605 HydrophobicContact CB-CG1 3.87Å; V322-I605 HydrophobicContact CG1-CG1 4Å; V322-I605 HydrophobicContact CG1-CG2 4.4Å; V322-I605 HydrophobicContact CG2-CG1 4.31Å; V322-I605 WeakPolarHBondContact O-CA 3.36Å; V322-Y606 PolarHBondContact O-N 2.89Å; V322-Y606 VanDerWaalsContact O-N 3.15Å
323G95.3Very high81.7Confident0 Ų048.9 Ų48.90%026%0.262CS..EExtended strand (participates in β ladder)trans-75.9113176.800000111.2R325 G326 F356 E358G323-R325 PolarHBondContact O-N 2.95Å; G323-G326 CarbonylContact C-O 3.52Å; G323-G326 WeakPolarHBondContact CA-O 3.42Å; G323-G326 PolarHBondContact O-N 3.45Å; G323-F356 PolarHBondContact N-O 3.28Å; G323-E358 PolarHBondContact O-N 2.89Å
324H94.4Very high79.6Confident36 Ų3654.5 Ų54.517%0.16729%0.285CS..THydrogen-bonded Turntrans-67122.9178.3179.8-131000110.5V322 G326 G328 E358 I605 Y606 D607V322-H324 PolarHBondContact O-N 2.64Å; H324-G326 PolarHBondContact N-O 3.05Å; H324-G326 CarbonylContact O-C 3.01Å; H324-G326 PolarHBondContact O-N 2.91Å; H324-G328 WeakPolarHBondContact O-CA 3.45Å; H324-G328 PolarHBondContact O-N 2.75Å; H324-E358 IonicContact CD2-OE2 2.71Å; H324-E358 PolarHBondContact CD2-OE2 2.88Å; H324-I605 HydrophobicContact CB-CG2 3.78Å; H324-Y606 WeakPolarHBondContact CB-O 3.41Å; H324-Y606 PolarHBondContact N-O 3.04Å; H324-D607 IonicContact CE1-OD1 2.7Å; H324-D607 IonicContact CG-OD1 2.7Å; H324-D607 IonicContact ND1-OD1 2.61Å; H324-D607 PolarHBondContact ND1-OD1 2.78Å
325R92.1Very high77.4Confident27 Ų2759 Ų5910%0.10231%0.308CS..THydrogen-bonded Turntrans48.631.8-174.1-51.9179.3-161.2-170.30.9113.4G323 E340 N341 S345 E358 H373G323-R325 PolarHBondContact O-N 2.95Å; R325-E340 HydrophobicContact CB-CB 3.82Å; R325-E340 WeakPolarHBondContact CD-OE1 3.2Å; R325-E340 IonicContact CZ-OE1 3.87Å; R325-E340 IonicContact NE-OE1 3.86Å; R325-E340 IonicContact NH1-OE1 3.39Å; R325-E340 PolarHBondContact NH1-OE1 3.05Å; R325-E340 IonicContact NH1-OE2 2.67Å; R325-N341 PolarHBondContact O-N 3.46Å; R325-S345 PolarHBondContact O-OG 2.87Å; R325-E358 CarbonylContact C-O 3.59Å; R325-E358 WeakPolarHBondContact CA-O 3.44Å; R325-E358 PolarHBondContact N-O 2.85Å; R325-E358 PolarHBondContact N-OE2 3.09Å; R325-H373 PolarHBondContact NH1-ND1 2.92Å; R325-H373 PolarHBondContact NH2-CD2 3.38Å; R325-H373 PolarHBondContact NH2-CE1 3.48Å; R325-H373 PolarHBondContact NH2-NE2 3.22Å
326G89.8Confident75.7Confident0 Ų058.9 Ų58.90%030%0.303CS..THydrogen-bonded Turntrans85.6-114.9-165.400000112.6G323 H324 G328 S345 A349 E358G323-G326 CarbonylContact C-O 3.52Å; G323-G326 WeakPolarHBondContact CA-O 3.42Å; G323-G326 PolarHBondContact O-N 3.45Å; H324-G326 PolarHBondContact N-O 3.05Å; H324-G326 CarbonylContact O-C 3.01Å; H324-G326 PolarHBondContact O-N 2.91Å; G326-G328 VanDerWaalsContact C-N 3.26Å; G326-G328 PolarHBondContact O-N 3.37Å; G326-S345 WeakPolarHBondContact CA-OG 3.48Å; G326-A349 VanDerWaalsContact C-CB 3.5Å; G326-A349 WeakPolarHBondContact O-CB 3.41Å; G326-E358 PolarHBondContact N-O 2.98Å
327A85Confident74.7Confident3 Ų359.3 Ų59.33%0.02531%0.305CS..THydrogen-bonded Turntrans-90.626.2-175.600000113.4H336 S345 D607A327-H336 PolarHBondContact O-CE1 3.03Å; A327-H336 PolarHBondContact O-ND1 2.8Å; A327-S345 PolarHBondContact N-O 2.77Å; A327-S345 PolarHBondContact N-OG 2.9Å; A327-D607 CarbonylContact C-O 3.48Å
328G78.3Confident74Confident0 Ų058.3 Ų58.30%031%0.305CS..  trans104.9164.9173.700000116.5H324 G326 E340 D607H324-G328 WeakPolarHBondContact O-CA 3.45Å; H324-G328 PolarHBondContact O-N 2.75Å; G326-G328 VanDerWaalsContact C-N 3.26Å; G326-G328 PolarHBondContact O-N 3.37Å; G328-E340 VanDerWaalsContact O-CB 3.3Å; G328-E340 WeakPolarHBondContact O-CB 3.29Å; G328-D607 VanDerWaalsContact CA-CA 3.49Å; G328-D607 VanDerWaalsContact CA-CB 3.47Å; G328-D607 WeakPolarHBondContact CA-OD1 3.47Å
329S70.1Confident73.7Confident14 Ų1458.9 Ų58.910%0.09829%0.294CS..  trans-72.2142.5176.6-177.50000112.9H331 A332 E340 D607S329-H331 PolarHBondContact O-N 2.87Å; S329-H331 PolarHBondContact OG-N 2.95Å; S329-A332 PolarHBondContact O-N 2.83Å; S329-E340 WeakPolarHBondContact CA-OE2 3.23Å; S329-E340 WeakPolarHBondContact CB-OE2 3.39Å; S329-E340 PolarHBondContact OG-OE2 3.45Å; S329-D607 PolarHBondContact N-OD1 2.84Å
330T58.9Low73.3Confident82 Ų8259.2 Ų59.250%0.50329%0.294SS..THydrogen-bonded Turntrans-66.2-19.9177.7-46.10000112.2E340T330-E340 PolarHBondContact N-OE2 3.4Å; T330-E340 WeakPolarHBondContact OG1-CG 3.18Å; T330-E340 PolarHBondContact OG1-N 3.49Å; T330-E340 PolarHBondContact OG1-OE2 3.5Å
331H52.3Low73Confident171 Ų17159.4 Ų59.479%0.79230%0.295SS*.THydrogen-bonded Turntrans-87.7-20.1179.9-70.1-81.6000113.8S329 A333S329-H331 PolarHBondContact O-N 2.87Å; S329-H331 PolarHBondContact OG-N 2.95Å; H331-A333 PolarHBondContact O-N 3.13Å
332A51Low72.9Confident33 Ų3357.3 Ų57.327%0.27328%0.284SS..SBendtrans-73.4120.1172.700000109.4S329S329-A332 PolarHBondContact O-N 2.83Å
333A42.7Very low72.7Confident78 Ų7857.5 Ų57.565%0.64529%0.285SS*.  trans-61.7145.7-158.400000117H331 H335H331-A333 PolarHBondContact O-N 3.13Å; A333-H335 PolarHBondContact O-N 2.91Å
334K44.8Very low72.5Confident197 Ų19758 Ų5886%0.85729%0.289SS*.SBendtrans75-12.9149.5-73.9179.4-179.7177.10121.6
335H44.7Very low72.3Confident142 Ų14256.2 Ų56.266%0.65728%0.281SS*.  trans-127.4-3.8-168.5-66.9-64.9000118.1A333A333-H335 PolarHBondContact O-N 2.91Å
336H51.9Low72.5Confident54 Ų5455 Ų5525%0.2528%0.276CS..  trans-96.7116.7-178.1-58-71000112.4A327 V338A327-H336 PolarHBondContact O-CE1 3.03Å; A327-H336 PolarHBondContact O-ND1 2.8Å; H336-V338 VanDerWaalsContact C-N 3.28Å
337K60.7Low72.6Confident212 Ų21257.6 Ų57.692%0.92229%0.288SS*.SBendtrans-78.1-13.2173.3-69.9-179.2-179.2175.50113
338V74.6Confident72.8Confident29 Ų2958.8 Ų58.818%0.17630%0.296CS..SBendtrans-121.4136.1-171.5-171.90000109.3H336 A344 S345H336-V338 VanDerWaalsContact C-N 3.28Å; V338-A344 HydrophobicContact CG1-CB 3.62Å; V338-S345 VanDerWaalsContact CG1-N 3.32Å
339R81.1Confident73.4Confident96 Ų9658.8 Ų58.836%0.36230%0.296SS..  trans-73.7139.3-177.7-177.5179.2-1771640.9111.2T342 S345R339-T342 HydrophobicContact CB-CG2 3.94Å; R339-T342 HydrophobicContact CG-CG2 4.12Å; R339-T342 WeakPolarHBondContact O-CG2 3.36Å; R339-T342 PolarHBondContact O-OG1 2.99Å; R339-S345 VanDerWaalsContact O-CB 3.25Å; R339-S345 WeakPolarHBondContact O-CB 3.5Å
340E85.6Confident74.4Confident25 Ų2558.4 Ų58.412%0.11729%0.293CS..THydrogen-bonded Turntrans-55.6154.9175.674.7-177.6-12800113.2R325 G328 S329 T330 T342R325-E340 HydrophobicContact CB-CB 3.82Å; R325-E340 WeakPolarHBondContact CD-OE1 3.2Å; R325-E340 IonicContact CZ-OE1 3.87Å; R325-E340 IonicContact NE-OE1 3.86Å; R325-E340 IonicContact NH1-OE1 3.39Å; R325-E340 PolarHBondContact NH1-OE1 3.05Å; R325-E340 IonicContact NH1-OE2 2.67Å; G328-E340 VanDerWaalsContact O-CB 3.3Å; G328-E340 WeakPolarHBondContact O-CB 3.29Å; S329-E340 WeakPolarHBondContact CA-OE2 3.23Å; S329-E340 WeakPolarHBondContact CB-OE2 3.39Å; S329-E340 PolarHBondContact OG-OE2 3.45Å; T330-E340 PolarHBondContact N-OE2 3.4Å; T330-E340 WeakPolarHBondContact OG1-CG 3.18Å; T330-E340 PolarHBondContact OG1-N 3.49Å; T330-E340 PolarHBondContact OG1-OE2 3.5Å; E340-T342 WeakPolarHBondContact O-CG2 3.49Å; E340-T342 PolarHBondContact O-N 3.01Å
341N89.8Confident75.8Confident5 Ų558.3 Ų58.33%0.02729%0.29CS..THydrogen-bonded Turntrans55.835.9175.3-79-30.2000113.8R325 F359 D360 V371 P437R325-N341 PolarHBondContact O-N 3.46Å; N341-F359 WeakPolarHBondContact OD1-CB 3.35Å; N341-D360 PolarHBondContact ND2-OD2 3.02Å; N341-D360 VanDerWaalsContact ND2-OD2 3.11Å; N341-V371 HydrophobicContact CB-CG1 4.05Å; N341-P437 WeakPolarHBondContact O-CD 3.15Å
342T90.8Very high77.5Confident0 Ų052.7 Ų52.70%026%0.264CS..SBendtrans-122.2156.4176.1670000111.3R339 E340 A344 S345 F346 E432 H433 Q434R339-T342 HydrophobicContact CB-CG2 3.94Å; R339-T342 HydrophobicContact CG-CG2 4.12Å; R339-T342 WeakPolarHBondContact O-CG2 3.36Å; R339-T342 PolarHBondContact O-OG1 2.99Å; E340-T342 WeakPolarHBondContact O-CG2 3.49Å; E340-T342 PolarHBondContact O-N 3.01Å; T342-A344 VanDerWaalsContact C-N 3.25Å; T342-A344 PolarHBondContact O-N 2.61Å; T342-S345 VanDerWaalsContact O-CB 3.26Å; T342-S345 WeakPolarHBondContact O-CB 3.36Å; T342-S345 PolarHBondContact O-N 3.38Å; T342-S345 WeakPolarHBondContact OG1-CB 3.09Å; T342-S345 PolarHBondContact OG1-N 3.01Å; T342-F346 WeakPolarHBondContact O-CD2 3.01Å; T342-F346 WeakPolarHBondContact O-CE2 3.01Å; T342-F346 VanDerWaalsContact O-CG 3.31Å; T342-F346 WeakPolarHBondContact O-CG 3.4Å; T342-F346 PolarHBondContact O-N 2.9Å; T342-E432 WeakPolarHBondContact CB-O 3.19Å; T342-H433 WeakPolarHBondContact CG2-O 3.3Å; T342-Q434 WeakPolarHBondContact CG2-O 3.29Å
343I92.7Very high79.1Confident3 Ų351.8 Ų51.82%0.01526%0.258CS..Hα-helixtrans-57.7-42.1178-67.9166.5000110.7S345 F346 K347 V430 E432 P437 I442 A445I343-S345 VanDerWaalsContact C-N 3.29Å; I343-S345 PolarHBondContact O-N 2.85Å; I343-F346 PolarHBondContact O-N 2.92Å; I343-K347 HydrophobicContact CG2-CD 4.25Å; I343-K347 HydrophobicContact CG2-CG 4.5Å; I343-K347 WeakPolarHBondContact O-CG 3.1Å; I343-K347 PolarHBondContact O-N 2.76Å; I343-V430 HydrophobicContact CD1-CG1 3.62Å; I343-E432 HydrophobicContact CB-CB 3.92Å; I343-E432 HydrophobicContact CB-CG 4.27Å; I343-E432 HydrophobicContact CG2-CB 3.88Å; I343-E432 HydrophobicContact CG2-CG 3.79Å; I343-E432 PolarHBondContact N-O 3.28Å; I343-E432 VanDerWaalsContact N-O 3.15Å; I343-P437 HydrophobicContact CD1-CB 4.46Å; I343-P437 HydrophobicContact CG1-CB 4.45Å; I343-I442 HydrophobicContact CG1-CG1 4.34Å; I343-A445 HydrophobicContact CD1-CB 3.84Å; I343-A445 HydrophobicContact CG1-CB 4.19Å; I343-A445 HydrophobicContact CG2-CB 3.58Å
344A91Very high81.4Confident10 Ų1048 Ų488%0.08323%0.227CC..Hα-helixtrans-61.2-39.1176.500000111.7V338 T342 S348 E432 H433V338-A344 HydrophobicContact CG1-CB 3.62Å; T342-A344 VanDerWaalsContact C-N 3.25Å; T342-A344 PolarHBondContact O-N 2.61Å; A344-S348 VanDerWaalsContact O-CB 3.23Å; A344-S348 WeakPolarHBondContact O-CB 3.39Å; A344-S348 PolarHBondContact O-N 2.86Å; A344-E432 HydrophobicContact CB-CB 4.04Å; A344-E432 WeakPolarHBondContact CB-O 3.29Å; A344-E432 PolarHBondContact N-O 2.97Å; A344-H433 VanDerWaalsContact CB-CE1 3.43Å; A344-H433 WeakPolarHBondContact CB-CE1 3.27Å; A344-H433 WeakPolarHBondContact CB-ND1 3.48Å
345S91.6Very high83.7Confident0 Ų038.7 Ų38.70%019%0.187CC..Hα-helixtrans-63.1-44.6176.7-170.90000111.3R325 G326 A327 V338 R339 T342 I343 S348 A349R325-S345 PolarHBondContact O-OG 2.87Å; G326-S345 WeakPolarHBondContact CA-OG 3.48Å; A327-S345 PolarHBondContact N-O 2.77Å; A327-S345 PolarHBondContact N-OG 2.9Å; V338-S345 VanDerWaalsContact CG1-N 3.32Å; R339-S345 VanDerWaalsContact O-CB 3.25Å; R339-S345 WeakPolarHBondContact O-CB 3.5Å; T342-S345 VanDerWaalsContact O-CB 3.26Å; T342-S345 WeakPolarHBondContact O-CB 3.36Å; T342-S345 PolarHBondContact O-N 3.38Å; T342-S345 WeakPolarHBondContact OG1-CB 3.09Å; T342-S345 PolarHBondContact OG1-N 3.01Å; I343-S345 VanDerWaalsContact C-N 3.29Å; I343-S345 PolarHBondContact O-N 2.85Å; S345-S348 PolarHBondContact O-N 2.87Å; S345-A349 PolarHBondContact O-N 3.12Å
346F94.5Very high86.2Confident0 Ų032.1 Ų32.10%016%0.156CC..Hα-helixtrans-65.8-44.8178.9-55.6-41000112.4T342 I343 S348 A349 A350 V357 F359 V371 I442 V446T342-F346 WeakPolarHBondContact O-CD2 3.01Å; T342-F346 WeakPolarHBondContact O-CE2 3.01Å; T342-F346 VanDerWaalsContact O-CG 3.31Å; T342-F346 WeakPolarHBondContact O-CG 3.4Å; T342-F346 PolarHBondContact O-N 2.9Å; I343-F346 PolarHBondContact O-N 2.92Å; F346-S348 VanDerWaalsContact C-N 3.33Å; F346-A349 PolarHBondContact O-N 3.21Å; F346-A350 WeakPolarHBondContact O-CB 3.37Å; F346-A350 PolarHBondContact O-N 2.81Å; F346-V357 HydrophobicContact CB-CG1 4.35Å; F346-V357 HydrophobicContact CB-CG2 4.2Å; F346-V357 HydrophobicContact CD1-CB 3.94Å; F346-V357 HydrophobicContact CD1-CG1 4.4Å; F346-V357 HydrophobicContact CD1-CG2 3.98Å; F346-V357 HydrophobicContact CG-CG2 4.23Å; F346-F359 HydrophobicContact CD1-CD1 4.34Å; F346-F359 HydrophobicContact CE1-CB 3.74Å; F346-F359 AromaticContact CE1-CD1 3.77Å; F346-F359 HydrophobicContact CE1-CD1 3.77Å; F346-F359 HydrophobicContact CE1-CG 4.08Å; F346-F359 HydrophobicContact CE2-CD1 4.44Å; F346-F359 HydrophobicContact CZ-CB 3.64Å; F346-F359 AromaticContact CZ-CD1 3.82Å; F346-F359 HydrophobicContact CZ-CD1 3.82Å; F346-F359 AromaticContact CZ-CG 3.84Å; F346-F359 HydrophobicContact CZ-CG 3.84Å; F346-V371 HydrophobicContact CE2-CG1 4.48Å; F346-V371 HydrophobicContact CZ-CG1 4.03Å; F346-I442 HydrophobicContact CD2-CD1 4.32Å; F346-I442 HydrophobicContact CD2-CG1 4.35Å; F346-I442 HydrophobicContact CD2-CG2 4.07Å; F346-I442 HydrophobicContact CE2-CD1 3.54Å; F346-I442 HydrophobicContact CE2-CG1 3.98Å; F346-I442 HydrophobicContact CE2-CG2 4.25Å; F346-I442 HydrophobicContact CZ-CD1 4.3Å; F346-V446 HydrophobicContact CB-CG1 4.47Å; F346-V446 HydrophobicContact CB-CG2 3.75Å; F346-V446 HydrophobicContact CD2-CG2 4.19Å; F346-V446 HydrophobicContact CG-CG2 4.41Å
347K92.4Very high88.4Confident56 Ų5629.6 Ų29.624%0.24314%0.144CC..Hα-helixtrans-63.2-40.6174.7-72.5-177.2178.6-176.90111.8I343 A350 N351 E432 A445I343-K347 HydrophobicContact CG2-CD 4.25Å; I343-K347 HydrophobicContact CG2-CG 4.5Å; I343-K347 WeakPolarHBondContact O-CG 3.1Å; I343-K347 PolarHBondContact O-N 2.76Å; K347-A350 PolarHBondContact O-N 2.65Å; K347-N351 VanDerWaalsContact O-CG 3.23Å; K347-N351 PolarHBondContact O-N 3.17Å; K347-N351 PolarHBondContact O-OD1 2.83Å; K347-E432 WeakPolarHBondContact CD-OE2 3.37Å; K347-E432 IonicContact NZ-OE1 2.95Å; K347-E432 PolarHBondContact NZ-OE1 3.1Å; K347-E432 IonicContact NZ-OE2 2.99Å; K347-E432 PolarHBondContact NZ-OE2 2.73Å; K347-A445 WeakPolarHBondContact CE-O 3.37Å
348S90.2Very high90.1Very high27 Ų2719.7 Ų19.719%0.18910%0.101CC..Hα-helixtrans-59.5-51.8175.7-175.30000110.8A344 S345 F346 A350 N351 H352 C610A344-S348 VanDerWaalsContact O-CB 3.23Å; A344-S348 WeakPolarHBondContact O-CB 3.39Å; A344-S348 PolarHBondContact O-N 2.86Å; S345-S348 PolarHBondContact O-N 2.87Å; F346-S348 VanDerWaalsContact C-N 3.33Å; S348-A350 VanDerWaalsContact C-N 3.33Å; S348-A350 PolarHBondContact O-N 2.83Å; S348-N351 PolarHBondContact O-N 2.91Å; S348-H352 PolarHBondContact O-N 2.77Å; S348-H352 PolarHBondContact O-ND1 2.86Å; S348-C610 PolarHBondContact OG-SG 2.88Å
349A90.7Very high91.2Very high0 Ų018.3 Ų18.30%09%0.093CC..Hα-helixtrans-59.3-43.6177.900000112.4G326 S345 F346 N351 H352 A354 V357 I609G326-A349 VanDerWaalsContact C-CB 3.5Å; G326-A349 WeakPolarHBondContact O-CB 3.41Å; S345-A349 PolarHBondContact O-N 3.12Å; F346-A349 PolarHBondContact O-N 3.21Å; A349-N351 VanDerWaalsContact C-N 3.34Å; A349-N351 PolarHBondContact O-N 2.79Å; A349-H352 CarbonylContact O-C 3.56Å; A349-H352 PolarHBondContact O-N 3.28Å; A349-H352 VanDerWaalsContact O-N 3.07Å; A349-A354 HydrophobicContact CB-CB 4.01Å; A349-A354 WeakPolarHBondContact O-CB 3.27Å; A349-A354 PolarHBondContact O-N 3.08Å; A349-A354 VanDerWaalsContact O-N 3.16Å; A349-V357 HydrophobicContact CB-CG1 3.82Å; A349-I609 HydrophobicContact CB-CG2 3.94Å
350A90Very high92Very high6 Ų613.8 Ų13.85%0.058%0.076CC..Hα-helixtrans-57.5-44176.800000113F346 K347 S348 H352 G353 V450F346-A350 WeakPolarHBondContact O-CB 3.37Å; F346-A350 PolarHBondContact O-N 2.81Å; K347-A350 PolarHBondContact O-N 2.65Å; S348-A350 VanDerWaalsContact C-N 3.33Å; S348-A350 PolarHBondContact O-N 2.83Å; A350-H352 PolarHBondContact O-N 3.42Å; A350-G353 PolarHBondContact O-N 2.97Å; A350-V450 HydrophobicContact CB-CB 4.43Å; A350-V450 HydrophobicContact CB-CG1 4.14Å; A350-V450 HydrophobicContact CB-CG2 3.42Å; A350-V450 VanDerWaalsContact CB-CG2 3.42Å
351N88.4Confident92.6Very high81 Ų8112.6 Ų12.643%0.4337%0.07SC..Hα-helixtrans-68.9-16.6178.8-68.1-9.1000113.1K347 S348 A349 E615 Q616K347-N351 VanDerWaalsContact O-CG 3.23Å; K347-N351 PolarHBondContact O-N 3.17Å; K347-N351 PolarHBondContact O-OD1 2.83Å; S348-N351 PolarHBondContact O-N 2.91Å; A349-N351 VanDerWaalsContact C-N 3.34Å; A349-N351 PolarHBondContact O-N 2.79Å; N351-E615 WeakPolarHBondContact O-CA 3.26Å; N351-Q616 PolarHBondContact O-N 3.42Å
352H87.7Confident92.8Very high52 Ų5212.4 Ų12.424%0.2417%0.069CC..BIsolated β-bridgetrans-104.727.7177.2-6383.6000112.3S348 A349 A350S348-H352 PolarHBondContact O-N 2.77Å; S348-H352 PolarHBondContact O-ND1 2.86Å; A349-H352 CarbonylContact O-C 3.56Å; A349-H352 PolarHBondContact O-N 3.28Å; A349-H352 VanDerWaalsContact O-N 3.07Å; A350-H352 PolarHBondContact O-N 3.42Å
353G85.4Confident93.1Very high14 Ų1412.4 Ų12.414%0.1447%0.069CC..THydrogen-bonded Turntrans86.38169.100000115.6A350 A355 Q616 N618A350-G353 PolarHBondContact O-N 2.97Å; G353-A355 PolarHBondContact O-N 2.85Å; G353-Q616 VanDerWaalsContact CA-O 3.3Å; G353-Q616 WeakPolarHBondContact CA-O 3.46Å; G353-Q616 PolarHBondContact N-O 2.85Å; G353-N618 VanDerWaalsContact O-CB 3.27Å; G353-N618 WeakPolarHBondContact O-CB 3.3Å
354A91.1Very high93.3Very high0 Ų012.2 Ų12.20%07%0.068CC..  trans-61.512317400000111.1A349 I609 N618A349-A354 HydrophobicContact CB-CB 4.01Å; A349-A354 WeakPolarHBondContact O-CB 3.27Å; A349-A354 PolarHBondContact O-N 3.08Å; A349-A354 VanDerWaalsContact O-N 3.16Å; A354-I609 HydrophobicContact CB-CD1 3.54Å; A354-I609 HydrophobicContact CB-CG1 4.41Å; A354-N618 WeakPolarHBondContact O-CB 3.47Å; A354-N618 PolarHBondContact O-ND2 3.04Å
355A93.3Very high93.6Very high1 Ų117.9 Ų17.91%0.0089%0.091CC..SBendtrans-75.3-39.7175.100000110.5V320 D321 G353 G451 I619 F620V320-A355 HydrophobicContact CB-CB 4.24Å; D321-A355 PolarHBondContact O-N 2.97Å; G353-A355 PolarHBondContact O-N 2.85Å; A355-G451 PolarHBondContact O-N 3.31Å; A355-I619 HydrophobicContact CB-CG2 3.65Å; A355-F620 HydrophobicContact CB-CD2 4.12Å; A355-F620 HydrophobicContact CB-CE2 3.83Å; A355-F620 HydrophobicContact CB-CZ 4.19Å; A355-F620 WeakPolarHBondContact O-CD2 3.41Å; A355-F620 VanDerWaalsContact O-CE2 3.23Å; A355-F620 WeakPolarHBondContact O-CE2 3.5Å
356F96.9Very high93.9Very high4 Ų421.3 Ų21.32%0.01811%0.11CC..EExtended strand (participates in β ladder)trans-123.6152170-67-96.5000110.6W314 V320 V322 G323 G451 R496 I498 F620W314-F356 HydrophobicContact CH2-CE2 4.49Å; V320-F356 HydrophobicContact CG2-CD2 4.36Å; V320-F356 HydrophobicContact CG2-CE2 4.48Å; V322-F356 CarbonylContact C-O 3.57Å; V322-F356 VanDerWaalsContact CA-O 3.31Å; V322-F356 WeakPolarHBondContact CA-O 3.32Å; V322-F356 HydrophobicContact CB-CB 4.33Å; V322-F356 HydrophobicContact CG1-CB 3.8Å; V322-F356 HydrophobicContact CG2-CB 4Å; V322-F356 HydrophobicContact CG2-CD2 4.38Å; G323-F356 PolarHBondContact N-O 3.28Å; F356-G451 CarbonylContact C-O 3.59Å; F356-G451 WeakPolarHBondContact CA-O 3.43Å; F356-R496 HydrophobicContact CE1-CB 3.98Å; F356-R496 HydrophobicContact CZ-CB 4.14Å; F356-I498 HydrophobicContact CD1-CD1 4.4Å; F356-I498 HydrophobicContact CE1-CD1 3.77Å; F356-I498 HydrophobicContact CE1-CG1 3.94Å; F356-I498 HydrophobicContact CE2-CD1 4.04Å; F356-I498 HydrophobicContact CZ-CD1 3.57Å; F356-I498 HydrophobicContact CZ-CG1 4.12Å; F356-F620 AromaticContact CD2-CE2 3.99Å; F356-F620 HydrophobicContact CD2-CE2 3.99Å; F356-F620 HydrophobicContact CD2-CZ 4.06Å; F356-F620 AromaticContact CE2-CE2 3.63Å; F356-F620 HydrophobicContact CE2-CE2 3.63Å; F356-F620 AromaticContact CE2-CZ 3.34Å; F356-F620 HydrophobicContact CE2-CZ 3.34Å; F356-F620 AromaticContact CZ-CE2 3.87Å; F356-F620 HydrophobicContact CZ-CE2 3.87Å; F356-F620 AromaticContact CZ-CZ 3.68Å; F356-F620 HydrophobicContact CZ-CZ 3.68Å
357V97.2Very high94Very high0 Ų023.8 Ų23.80%013%0.127CC..EExtended strand (participates in β ladder)trans-105.7133.5156.9-650000108.3F346 A349 F359 V450 G451 F452 N453F346-V357 HydrophobicContact CB-CG1 4.35Å; F346-V357 HydrophobicContact CB-CG2 4.2Å; F346-V357 HydrophobicContact CD1-CB 3.94Å; F346-V357 HydrophobicContact CD1-CG1 4.4Å; F346-V357 HydrophobicContact CD1-CG2 3.98Å; F346-V357 HydrophobicContact CG-CG2 4.23Å; A349-V357 HydrophobicContact CB-CG1 3.82Å; V357-F359 HydrophobicContact CG2-CD1 4.19Å; V357-F359 HydrophobicContact CG2-CE1 4.12Å; V357-V450 HydrophobicContact CG1-CG1 4.15Å; V357-V450 HydrophobicContact CG2-CG1 4.32Å; V357-G451 PolarHBondContact N-O 2.92Å; V357-F452 HydrophobicContact CG2-CD1 3.58Å; V357-F452 HydrophobicContact CG2-CE1 3.78Å; V357-N453 PolarHBondContact O-N 2.8Å
358E98.1Very high94.3Very high5 Ų523 Ų232%0.02313%0.126CC..EExtended strand (participates in β ladder)trans-94.9143.3173.2-179.8-71.6139.800109.2V322 G323 H324 R325 G326 N453 I605V322-E358 HydrophobicContact CG1-CB 3.72Å; G323-E358 PolarHBondContact O-N 2.89Å; H324-E358 IonicContact CD2-OE2 2.71Å; H324-E358 PolarHBondContact CD2-OE2 2.88Å; R325-E358 CarbonylContact C-O 3.59Å; R325-E358 WeakPolarHBondContact CA-O 3.44Å; R325-E358 PolarHBondContact N-O 2.85Å; R325-E358 PolarHBondContact N-OE2 3.09Å; G326-E358 PolarHBondContact N-O 2.98Å; E358-N453 VanDerWaalsContact CA-O 3.26Å; E358-N453 WeakPolarHBondContact CA-O 3.05Å; E358-N453 HydrophobicContact CB-CB 3.98Å; E358-N453 HydrophobicContact CG-CB 4.19Å; E358-N453 WeakPolarHBondContact CG-ND2 3.42Å; E358-I605 HydrophobicContact CB-CG2 4.21Å; E358-I605 HydrophobicContact CG-CG2 4.3Å
359F97.8Very high94.6Very high0 Ų022.3 Ų22.30%012%0.122CC..EExtended strand (participates in β ladder)trans-162.6155.1172.752.7-95.7000112.8N341 F346 V357 V361 V371 L439 I442 F452 N453 I454 E455N341-F359 WeakPolarHBondContact OD1-CB 3.35Å; F346-F359 HydrophobicContact CD1-CD1 4.34Å; F346-F359 HydrophobicContact CE1-CB 3.74Å; F346-F359 AromaticContact CE1-CD1 3.77Å; F346-F359 HydrophobicContact CE1-CD1 3.77Å; F346-F359 HydrophobicContact CE1-CG 4.08Å; F346-F359 HydrophobicContact CE2-CD1 4.44Å; F346-F359 HydrophobicContact CZ-CB 3.64Å; F346-F359 AromaticContact CZ-CD1 3.82Å; F346-F359 HydrophobicContact CZ-CD1 3.82Å; F346-F359 AromaticContact CZ-CG 3.84Å; F346-F359 HydrophobicContact CZ-CG 3.84Å; V357-F359 HydrophobicContact CG2-CD1 4.19Å; V357-F359 HydrophobicContact CG2-CE1 4.12Å; F359-V361 HydrophobicContact CD2-CG2 3.76Å; F359-V361 HydrophobicContact CE2-CG2 3.71Å; F359-V371 HydrophobicContact CB-CG1 3.79Å; F359-V371 HydrophobicContact CD2-CG1 3.8Å; F359-V371 HydrophobicContact CD2-CG2 3.99Å; F359-V371 HydrophobicContact CE2-CG2 4.21Å; F359-V371 HydrophobicContact CG-CG1 4.04Å; F359-L439 HydrophobicContact CE2-CD1 3.68Å; F359-L439 HydrophobicContact CZ-CD1 4.06Å; F359-I442 HydrophobicContact CE1-CG2 4.4Å; F359-I442 HydrophobicContact CE2-CD1 4.49Å; F359-I442 HydrophobicContact CZ-CG2 4.33Å; F359-F452 HydrophobicContact CE1-CB 3.96Å; F359-F452 AromaticContact CE1-CD1 3.81Å; F359-F452 HydrophobicContact CE1-CD1 3.81Å; F359-F452 AromaticContact CE1-CD2 3.98Å; F359-F452 HydrophobicContact CE1-CD2 3.98Å; F359-F452 HydrophobicContact CE1-CE1 4.29Å; F359-F452 HydrophobicContact CE1-CE2 4.41Å; F359-F452 AromaticContact CE1-CG 3.67Å; F359-F452 HydrophobicContact CE1-CG 3.67Å; F359-F452 HydrophobicContact CZ-CB 4.04Å; F359-F452 HydrophobicContact CZ-CD1 4.37Å; F359-F452 AromaticContact CZ-CD2 3.69Å; F359-F452 HydrophobicContact CZ-CD2 3.69Å; F359-F452 HydrophobicContact CZ-CE2 4.18Å; F359-F452 AromaticContact CZ-CG 3.81Å; F359-F452 HydrophobicContact CZ-CG 3.81Å; F359-N453 PolarHBondContact N-O 3.05Å; F359-N453 VanDerWaalsContact N-O 3.1Å; F359-I454 HydrophobicContact CE2-CB 4.5Å; F359-I454 HydrophobicContact CE2-CG1 3.95Å; F359-I454 HydrophobicContact CE2-CG2 4.3Å; F359-I454 HydrophobicContact CZ-CD1 4.44Å; F359-I454 HydrophobicContact CZ-CG1 3.86Å; F359-E455 PolarHBondContact O-N 2.77Å
360D97.1Very high94.9Very high1 Ų122.3 Ų22.31%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-85.9134179.8-48.8-106.8000113.1N341 V371 Y372 H373 E455 K457N341-D360 PolarHBondContact ND2-OD2 3.02Å; N341-D360 VanDerWaalsContact ND2-OD2 3.11Å; D360-V371 WeakPolarHBondContact O-CA 3.25Å; D360-V371 WeakPolarHBondContact O-CG1 3.34Å; D360-Y372 VanDerWaalsContact CB-O 3.29Å; D360-Y372 WeakPolarHBondContact CB-O 3.45Å; D360-Y372 PolarHBondContact O-N 3.31Å; D360-Y372 VanDerWaalsContact O-N 3.11Å; D360-H373 HydrophobicContact CB-CB 4.5Å; D360-H373 IonicContact OD1-CD2 3.75Å; D360-H373 PolarHBondContact OD1-CD2 3.14Å; D360-H373 IonicContact OD1-CG 2.79Å; D360-H373 WeakPolarHBondContact OD2-CA 3.29Å; D360-H373 WeakPolarHBondContact OD2-CB 3.49Å; D360-H373 IonicContact OD2-CD2 3.02Å; D360-H373 PolarHBondContact OD2-CD2 3.25Å; D360-H373 IonicContact OD2-CG 3.29Å; D360-E455 CarbonylContact C-O 3.48Å; D360-K457 IonicContact OD1-NZ 3.55Å; D360-K457 PolarHBondContact OD1-NZ 3.04Å
361V98.1Very high95.2Very high0 Ų022 Ų220%012%0.119CC..EExtended strand (participates in β ladder)trans-123.7132.2175.3-177.90000111.3F359 P369 I370 V371 L439 I454 E455 K457 I484F359-V361 HydrophobicContact CD2-CG2 3.76Å; F359-V361 HydrophobicContact CE2-CG2 3.71Å; V361-P369 HydrophobicContact CG1-CB 4.16Å; V361-I370 WeakPolarHBondContact CA-O 3.36Å; V361-V371 HydrophobicContact CG2-CG2 4Å; V361-L439 HydrophobicContact CG1-CD2 4.26Å; V361-L439 HydrophobicContact CG2-CD1 4.17Å; V361-L439 HydrophobicContact CG2-CD2 4.49Å; V361-I454 HydrophobicContact CB-CG2 4.08Å; V361-I454 HydrophobicContact CG2-CG2 3.52Å; V361-E455 PolarHBondContact N-O 2.81Å; V361-K457 PolarHBondContact O-N 3.03Å; V361-I484 HydrophobicContact CG1-CD1 3.95Å; V361-I484 HydrophobicContact CG1-CG1 4.18Å; V361-I484 HydrophobicContact CG1-CG2 4.26Å
362H94.1Very high95.5Very high0 Ų019.9 Ų19.90%011%0.105CC..EExtended strand (participates in β ladder)trans-144.7-171.3165.257.7159.3000111.3P369 I370 Y372 D374 K457 Y474 F480H362-P369 WeakPolarHBondContact O-CA 3.44Å; H362-I370 PolarHBondContact N-O 3.4Å; H362-I370 VanDerWaalsContact N-O 3.13Å; H362-I370 WeakPolarHBondContact NE2-CD1 3.47Å; H362-I370 VanDerWaalsContact O-CG1 3.29Å; H362-I370 WeakPolarHBondContact O-CG1 3.26Å; H362-I370 PolarHBondContact O-N 2.85Å; H362-Y372 AromaticContact NE2-CD1 3.69Å; H362-Y372 PolarHBondContact NE2-O 3.25Å; H362-D374 PolarHBondContact CE1-O 2.83Å; H362-D374 VanDerWaalsContact CE1-O 3.25Å; H362-K457 HydrophobicContact CB-CB 4.11Å; H362-Y474 VanDerWaalsContact CB-OH 3.3Å; H362-Y474 WeakPolarHBondContact CB-OH 3.28Å; H362-Y474 PolarHBondContact ND1-OH 3Å; H362-Y474 VanDerWaalsContact ND1-OH 3.09Å; H362-F480 HydrophobicContact CB-CE2 4.03Å; H362-F480 HydrophobicContact CB-CZ 4.42Å
363L97.2Very high95.7Very high0 Ų019.4 Ų19.40%010%0.103CC..EExtended strand (participates in β ladder)trans-108.5141.5-175.4-62.2-175.8000112V368 P369 F475 F480 I483 I484L363-V368 WeakPolarHBondContact CA-O 3.46Å; L363-P369 HydrophobicContact CD2-CB 4.24Å; L363-P369 HydrophobicContact CD2-CG 3.89Å; L363-F475 HydrophobicContact CB-CD2 4.38Å; L363-F475 HydrophobicContact CB-CE1 4.35Å; L363-F475 HydrophobicContact CB-CE2 3.85Å; L363-F475 HydrophobicContact CB-CZ 3.81Å; L363-F475 WeakPolarHBondContact O-CE2 3.28Å; L363-F475 WeakPolarHBondContact O-CZ 3.41Å; L363-F480 HydrophobicContact CB-CD2 4.48Å; L363-F480 HydrophobicContact CD1-CB 4.41Å; L363-F480 HydrophobicContact CD1-CD2 3.84Å; L363-F480 HydrophobicContact CD1-CG 4.48Å; L363-F480 HydrophobicContact CG-CD2 3.74Å; L363-F480 HydrophobicContact CG-CE2 4.07Å; L363-I483 HydrophobicContact CD1-CB 4.4Å; L363-I483 HydrophobicContact CD1-CD1 3.63Å; L363-I483 HydrophobicContact CD2-CB 4.38Å; L363-I483 HydrophobicContact CD2-CG2 3.83Å; L363-I484 HydrophobicContact CD2-CD1 4.3Å; L363-I484 HydrophobicContact CD2-CG1 3.94Å
364S96.9Very high95.9Very high0 Ų022.1 Ų22.10%011%0.114CC..  trans-70.2169.6159.566.40000111.2D366 S367 V368 L399S364-D366 VanDerWaalsContact CB-OD1 3.28Å; S364-D366 WeakPolarHBondContact CB-OD1 3.45Å; S364-D366 PolarHBondContact O-N 3.13Å; S364-D366 PolarHBondContact OG-OD1 2.92Å; S364-S367 PolarHBondContact O-N 3.42Å; S364-V368 PolarHBondContact N-O 3.4Å; S364-V368 WeakPolarHBondContact OG-CB 3.38Å; S364-V368 PolarHBondContact OG-N 3.38Å; S364-V368 PolarHBondContact OG-O 3.13Å; S364-L399 WeakPolarHBondContact CB-O 3.46Å
365K96.7Very high95.9Very high129 Ų12922.8 Ų22.856%0.56112%0.118SC*.THydrogen-bonded Turntrans-55-38177.2-178.1178179.1175.70113.7S367 K397 D398 L399 T400K365-S367 VanDerWaalsContact C-N 3.25Å; K365-S367 PolarHBondContact O-N 3.35Å; K365-K397 VanDerWaalsContact CA-O 3.23Å; K365-K397 WeakPolarHBondContact CA-O 3.39Å; K365-K397 WeakPolarHBondContact CB-O 3.49Å; K365-K397 PolarHBondContact N-O 3.36Å; K365-D398 WeakPolarHBondContact CD-O 3.48Å; K365-L399 WeakPolarHBondContact CB-O 3.5Å; K365-L399 PolarHBondContact N-O 2.83Å; K365-T400 HydrophobicContact CB-CG2 4.38Å; K365-T400 HydrophobicContact CD-CG2 4.34Å
366D97.6Very high95.8Very high72 Ų7223.6 Ų23.639%0.38512%0.122SC..THydrogen-bonded Turntrans-90.420.8178.557.3-20.2000112.8S364 V368 T400 F401S364-D366 VanDerWaalsContact CB-OD1 3.28Å; S364-D366 WeakPolarHBondContact CB-OD1 3.45Å; S364-D366 PolarHBondContact O-N 3.13Å; S364-D366 PolarHBondContact OG-OD1 2.92Å; D366-V368 PolarHBondContact O-N 3.17Å; D366-T400 HydrophobicContact CB-CG2 4.36Å; D366-T400 WeakPolarHBondContact OD1-CA 3.25Å; D366-F401 PolarHBondContact OD1-N 3.44Å; D366-F401 PolarHBondContact OD2-N 2.94Å
367S96.9Very high95.2Very high52 Ų5223.7 Ų23.736%0.36412%0.124SC..  trans66.530169.4-61.90000114.8S364 K365 I483S364-S367 PolarHBondContact O-N 3.42Å; K365-S367 VanDerWaalsContact C-N 3.25Å; K365-S367 PolarHBondContact O-N 3.35Å; S367-I483 WeakPolarHBondContact O-CG2 3.16Å
368V98.1Very high94.4Very high38 Ų3827.7 Ų27.723%0.2315%0.151CC..  trans-90.9125.6171.5-176.70000109.1L363 S364 D366 I370 F401L363-V368 WeakPolarHBondContact CA-O 3.46Å; S364-V368 PolarHBondContact N-O 3.4Å; S364-V368 WeakPolarHBondContact OG-CB 3.38Å; S364-V368 PolarHBondContact OG-N 3.38Å; S364-V368 PolarHBondContact OG-O 3.13Å; D366-V368 PolarHBondContact O-N 3.17Å; V368-I370 PolarHBondContact O-N 3.48Å; V368-F401 HydrophobicContact CB-CB 3.91Å; V368-F401 HydrophobicContact CB-CD2 4.2Å; V368-F401 HydrophobicContact CB-CG 4.12Å; V368-F401 HydrophobicContact CG1-CB 4.26Å; V368-F401 HydrophobicContact CG1-CD1 4.47Å; V368-F401 HydrophobicContact CG1-CD2 3.76Å; V368-F401 HydrophobicContact CG1-CE2 4.18Å; V368-F401 HydrophobicContact CG1-CG 3.91Å; V368-F401 HydrophobicContact CG2-CB 3.76Å; V368-F401 HydrophobicContact CG2-CG 4.22Å
369P98.2Very high93.4Very high14 Ų1429.3 Ų29.39%0.09116%0.159CC..EExtended strand (participates in β ladder)trans-63.6117.7170.5-23.735.5000111V361 H362 L363 S438 L439 I483 I484 C487V361-P369 HydrophobicContact CG1-CB 4.16Å; H362-P369 WeakPolarHBondContact O-CA 3.44Å; L363-P369 HydrophobicContact CD2-CB 4.24Å; L363-P369 HydrophobicContact CD2-CG 3.89Å; P369-S438 CarbonylContact O-C 3.51Å; P369-S438 WeakPolarHBondContact O-CA 3.3Å; P369-L439 HydrophobicContact CB-CB 3.77Å; P369-L439 HydrophobicContact CB-CD2 4.26Å; P369-L439 PolarHBondContact O-N 3.28Å; P369-I483 HydrophobicContact CG-CG2 3.76Å; P369-I484 HydrophobicContact CB-CG1 4.37Å; P369-I484 HydrophobicContact CG-CG1 4.33Å; P369-C487 HydrophobicContact CG-CB 4.25Å
370I96.8Very high92Very high0 Ų032.6 Ų32.60%018%0.182CC..EExtended strand (participates in β ladder)trans-117152.4-179.554.9146.4000110.5V361 H362 V368 V396 F401 L404V361-I370 WeakPolarHBondContact CA-O 3.36Å; H362-I370 PolarHBondContact N-O 3.4Å; H362-I370 VanDerWaalsContact N-O 3.13Å; H362-I370 WeakPolarHBondContact NE2-CD1 3.47Å; H362-I370 VanDerWaalsContact O-CG1 3.29Å; H362-I370 WeakPolarHBondContact O-CG1 3.26Å; H362-I370 PolarHBondContact O-N 2.85Å; V368-I370 PolarHBondContact O-N 3.48Å; I370-V396 HydrophobicContact CD1-CG1 3.28Å; I370-F401 HydrophobicContact CG2-CD2 3.55Å; I370-F401 HydrophobicContact CG2-CE2 3.9Å; I370-L404 HydrophobicContact CD1-CD1 3.94Å; I370-L404 HydrophobicContact CG2-CD1 4.3Å
371V96.6Very high90.5Very high0 Ų034.8 Ų34.80%020%0.195CC..EExtended strand (participates in β ladder)trans-106.8110.6178179.40000110.4N341 F346 F359 D360 V361 P437 L439 I442N341-V371 HydrophobicContact CB-CG1 4.05Å; F346-V371 HydrophobicContact CE2-CG1 4.48Å; F346-V371 HydrophobicContact CZ-CG1 4.03Å; F359-V371 HydrophobicContact CB-CG1 3.79Å; F359-V371 HydrophobicContact CD2-CG1 3.8Å; F359-V371 HydrophobicContact CD2-CG2 3.99Å; F359-V371 HydrophobicContact CE2-CG2 4.21Å; F359-V371 HydrophobicContact CG-CG1 4.04Å; D360-V371 WeakPolarHBondContact O-CA 3.25Å; D360-V371 WeakPolarHBondContact O-CG1 3.34Å; V361-V371 HydrophobicContact CG2-CG2 4Å; V371-P437 HydrophobicContact CB-CG 4.14Å; V371-P437 PolarHBondContact N-O 3.04Å; V371-L439 HydrophobicContact CG2-CD1 4.49Å; V371-I442 HydrophobicContact CB-CD1 3.66Å; V371-I442 HydrophobicContact CG1-CD1 3.89Å; V371-I442 HydrophobicContact CG2-CD1 3.11Å; V371-I442 HydrophobicContact CG2-CG1 4.45Å
372Y93.6Very high88.5Confident35 Ų3543.4 Ų43.414%0.13723%0.233CC..  trans-170.7140.3-175.6-177.9-110.5000110.2D360 H362 D374 T376 C377 V396 F436D360-Y372 VanDerWaalsContact CB-O 3.29Å; D360-Y372 WeakPolarHBondContact CB-O 3.45Å; D360-Y372 PolarHBondContact O-N 3.31Å; D360-Y372 VanDerWaalsContact O-N 3.11Å; H362-Y372 AromaticContact NE2-CD1 3.69Å; H362-Y372 PolarHBondContact NE2-O 3.25Å; Y372-D374 WeakPolarHBondContact CD1-O 3.38Å; Y372-D374 HydrophobicContact CE1-CB 3.64Å; Y372-D374 WeakPolarHBondContact CE1-O 3.42Å; Y372-T376 WeakPolarHBondContact CE1-O 3.38Å; Y372-T376 PolarHBondContact OH-O 3.11Å; Y372-C377 HydrophobicContact CE1-CB 4.42Å; Y372-V396 HydrophobicContact CD1-CG2 3.85Å; Y372-V396 HydrophobicContact CE1-CG2 3.71Å; Y372-F436 HydrophobicContact CD1-CD1 4.29Å; Y372-F436 AromaticContact CD1-CE1 3.74Å; Y372-F436 HydrophobicContact CD1-CE1 3.74Å; Y372-F436 AromaticContact CD2-CD1 3.72Å; Y372-F436 HydrophobicContact CD2-CD1 3.72Å; Y372-F436 AromaticContact CD2-CE1 3.28Å; Y372-F436 HydrophobicContact CD2-CE1 3.28Å; Y372-F436 HydrophobicContact CD2-CZ 4.01Å; Y372-F436 AromaticContact CE1-CE1 3.92Å; Y372-F436 HydrophobicContact CE1-CE1 3.92Å; Y372-F436 HydrophobicContact CE2-CD1 4.37Å; Y372-F436 AromaticContact CE2-CE1 3.5Å; Y372-F436 HydrophobicContact CE2-CE1 3.5Å; Y372-F436 VanDerWaalsContact CE2-CE1 3.5Å; Y372-F436 AromaticContact CE2-CZ 3.82Å; Y372-F436 HydrophobicContact CE2-CZ 3.82Å; Y372-F436 AromaticContact CG-CD1 3.67Å; Y372-F436 HydrophobicContact CG-CD1 3.67Å; Y372-F436 AromaticContact CG-CE1 3.41Å; Y372-F436 HydrophobicContact CG-CE1 3.41Å; Y372-F436 VanDerWaalsContact CG-CE1 3.41Å; Y372-F436 HydrophobicContact CG-CZ 4.49Å; Y372-F436 AromaticContact CZ-CE1 3.81Å
373H91.7Very high86.4Confident42 Ų4249.1 Ų49.119%0.19426%0.258CS..SBendtrans-80-49.9-172.3174.6-92.8000113.3R325 D360 K457R325-H373 PolarHBondContact NH1-ND1 2.92Å; R325-H373 PolarHBondContact NH2-CD2 3.38Å; R325-H373 PolarHBondContact NH2-CE1 3.48Å; R325-H373 PolarHBondContact NH2-NE2 3.22Å; D360-H373 HydrophobicContact CB-CB 4.5Å; D360-H373 IonicContact OD1-CD2 3.75Å; D360-H373 PolarHBondContact OD1-CD2 3.14Å; D360-H373 IonicContact OD1-CG 2.79Å; D360-H373 WeakPolarHBondContact OD2-CA 3.29Å; D360-H373 WeakPolarHBondContact OD2-CB 3.49Å; D360-H373 IonicContact OD2-CD2 3.02Å; D360-H373 PolarHBondContact OD2-CD2 3.25Å; D360-H373 IonicContact OD2-CG 3.29Å; H373-K457 PolarHBondContact CD2-NZ 3.18Å; H373-K457 PolarHBondContact NE2-NZ 2.63Å; H373-K457 VanDerWaalsContact NE2-NZ 3.12Å; H373-K457 WeakPolarHBondContact O-CE 3.28Å
374D90.2Very high84.2Confident71 Ų7159.2 Ų59.238%0.3830%0.302SS..  trans-79.4151.5-170.5-60.2-28.9000112H362 Y372 T376H362-D374 PolarHBondContact CE1-O 2.83Å; H362-D374 VanDerWaalsContact CE1-O 3.25Å; Y372-D374 WeakPolarHBondContact CD1-O 3.38Å; Y372-D374 HydrophobicContact CE1-CB 3.64Å; Y372-D374 WeakPolarHBondContact CE1-O 3.42Å; D374-T376 WeakPolarHBondContact CB-O 3.42Å; D374-T376 PolarHBondContact O-N 3.19Å
375L91.2Very high82.2Confident15 Ų1567.1 Ų67.18%0.07934%0.344CS..SBendtrans-75.7-14.8175.3-68.8164.2000112.9V396 K457 I459 D468 L471 Y474L375-V396 PolarHBondContact O-N 3.14Å; L375-K457 HydrophobicContact CD2-CG 4.28Å; L375-I459 HydrophobicContact CD1-CG2 3.72Å; L375-I459 HydrophobicContact CD2-CG2 3.89Å; L375-I459 HydrophobicContact CG-CG2 4.44Å; L375-D468 HydrophobicContact CD1-CB 3.45Å; L375-D468 VanDerWaalsContact CD1-CB 3.45Å; L375-L471 HydrophobicContact CB-CD1 3.93Å; L375-L471 HydrophobicContact CD1-CD1 4.36Å; L375-L471 HydrophobicContact CD2-CD1 4.44Å; L375-L471 HydrophobicContact CG-CD1 4.49Å; L375-Y474 HydrophobicContact CD2-CE2 4.09Å
376T89.9Confident80.1Confident17 Ų1765.9 Ų65.910%0.10434%0.344CS..EExtended strand (participates in β ladder)trans-130.3156.7-176.955.40000110.3Y372 D374 E393 V394Y372-T376 WeakPolarHBondContact CE1-O 3.38Å; Y372-T376 PolarHBondContact OH-O 3.11Å; D374-T376 WeakPolarHBondContact CB-O 3.42Å; D374-T376 PolarHBondContact O-N 3.19Å; T376-E393 VanDerWaalsContact CB-OE1 3.27Å; T376-E393 WeakPolarHBondContact CB-OE1 3.25Å; T376-E393 HydrophobicContact CG2-CG 4.02Å; T376-E393 PolarHBondContact OG1-OE1 3.13Å; T376-V394 CarbonylContact C-O 3.53Å; T376-V394 VanDerWaalsContact CA-O 3.3Å; T376-V394 WeakPolarHBondContact CA-O 3.38Å
377C86.1Confident78.2Confident7 Ų772 Ų725%0.04737%0.369CS..EExtended strand (participates in β ladder)trans-137.3152.3171.571.20000110.2Y372 V394 V396 L399 F436Y372-C377 HydrophobicContact CE1-CB 4.42Å; C377-V394 PolarHBondContact N-O 2.85Å; C377-V394 PolarHBondContact O-N 2.86Å; C377-V396 HydrophobicContact CB-CG2 4.25Å; C377-L399 WeakPolarHBondContact SG-CD1 3.39Å; C377-F436 HydrophobicContact CB-CZ 4.27Å
378C80.2Confident76.1Confident83 Ų8373.1 Ų73.156%0.56138%0.375SS*.EExtended strand (participates in β ladder)trans-87.1128.1178.1-70.30000111.1L391 I392C378-L391 HydrophobicContact CB-CD2 4.47Å; C378-I392 CarbonylContact C-O 3.56Å; C378-I392 WeakPolarHBondContact CA-O 3.42Å
379I77Confident74.4Confident40 Ų4076.3 Ų76.321%0.20539%0.39CS..EExtended strand (participates in β ladder)trans-105.4137.4170.269.6170.5000109.9T381 L391 I392 V394 L407I379-T381 HydrophobicContact CD1-CG2 4.43Å; I379-L391 WeakPolarHBondContact O-CA 3.3Å; I379-I392 HydrophobicContact CG1-CB 3.95Å; I379-I392 WeakPolarHBondContact CG1-O 3.17Å; I379-I392 PolarHBondContact N-O 2.87Å; I379-I392 PolarHBondContact O-N 3.23Å; I379-V394 HydrophobicContact CD1-CG2 3.65Å; I379-V394 HydrophobicContact CG1-CG2 3.8Å; I379-V394 HydrophobicContact CG2-CG2 4.24Å; I379-L407 HydrophobicContact CB-CD2 4.04Å; I379-L407 HydrophobicContact CG2-CD1 3.77Å; I379-L407 HydrophobicContact CG2-CD2 3.55Å; I379-L407 HydrophobicContact CG2-CG 4.32Å
380S68.5Low72.9Confident68 Ų6879.6 Ų79.648%0.47640%0.404SS..EExtended strand (participates in β ladder)trans-90.2128.6174.1125.40000110
381T64.3Low71.8Confident47 Ų4785.4 Ų85.429%0.28843%0.434SS..EExtended strand (participates in β ladder)trans-116.7140.2171.665.10000110.9I379 E390 I392I379-T381 HydrophobicContact CD1-CG2 4.43Å; T381-E390 PolarHBondContact N-O 3.06Å; T381-E390 PolarHBondContact O-N 2.74Å; T381-E390 PolarHBondContact OG1-O 3.34Å; T381-I392 HydrophobicContact CG2-CD1 3.87Å
382K56.7Low71Confident182 Ų18288.8 Ų88.879%0.79145%0.452SS*.EExtended strand (participates in β ladder)trans-91.6121.5173-72-176.3179.41790109.4L389K382-L389 HydrophobicContact CG-CD2 3.96Å
383K49.4Very low70.6Confident119 Ų11992.8 Ų92.852%0.51747%0.472SS..  trans-69.3138.4169.5-101.6176172.5129.10109.9N385 D386 E390K383-N385 PolarHBondContact O-N 2.86Å; K383-D386 PolarHBondContact O-N 3.02Å; K383-E390 WeakPolarHBondContact CE-OE2 3.42Å; K383-E390 IonicContact NZ-OE1 3.87Å; K383-E390 IonicContact NZ-OE2 3.71Å; K383-E390 PolarHBondContact NZ-OE2 2.88Å
384K51Low70.5Confident213 Ų21392.1 Ų92.193%0.92647%0.47SS*.THydrogen-bonded Turntrans-57.6-15.3-174.5-98.4-178.5175.1176.90115.6
385N55Low70.6Confident166 Ų16690.1 Ų90.189%0.88846%0.461SS*.THydrogen-bonded Turntrans-135.68.8-174.5-78.7-3.6000114.9K383K383-N385 PolarHBondContact O-N 2.86Å
386D54.2Low70.7Confident103 Ų10389.4 Ų89.455%0.55146%0.457SS*.  trans-145140.3179.9-150.5-12.3000111K383 T388K383-D386 PolarHBondContact O-N 3.02Å; D386-T388 PolarHBondContact O-N 3.36Å; D386-T388 VanDerWaalsContact O-N 3.12Å
387Q56.7Low70.8Confident199 Ų19990.2 Ų90.293%0.9346%0.459SS*.SBendtrans-73.23.4-178-72.8-178.7-17.500113L389Q387-L389 PolarHBondContact O-N 2.99Å
388T52.5Low71.2Confident77 Ų7793.3 Ų93.347%0.47248%0.476SS..PPolyproline II helixtrans-77.7120178.657.60000111.1D386D386-T388 PolarHBondContact O-N 3.36Å; D386-T388 VanDerWaalsContact O-N 3.12Å
389L61.9Low71.9Confident105 Ų10590.2 Ų90.255%0.5545%0.454SS..EExtended strand (participates in β ladder)trans-72.4124.5170.3-64169.9000109.2K382 Q387K382-L389 HydrophobicContact CG-CD2 3.96Å; Q387-L389 PolarHBondContact O-N 2.99Å
390E68.1Low72.8Confident83 Ų8390 Ų9039%0.38845%0.454SS..EExtended strand (participates in β ladder)trans-99.8119.8172-174.5167.2-169.700108.7T381 K383 I392T381-E390 PolarHBondContact N-O 3.06Å; T381-E390 PolarHBondContact O-N 2.74Å; T381-E390 PolarHBondContact OG1-O 3.34Å; K383-E390 WeakPolarHBondContact CE-OE2 3.42Å; K383-E390 IonicContact NZ-OE1 3.87Å; K383-E390 IonicContact NZ-OE2 3.71Å; K383-E390 PolarHBondContact NZ-OE2 2.88Å; E390-I392 HydrophobicContact CG-CG1 4.42Å
391L72.5Confident74.1Confident122 Ų12288.2 Ų88.264%0.63944%0.438SS*.EExtended strand (participates in β ladder)trans-87123.2175.3-66.4174.4000109.1C378 I379C378-L391 HydrophobicContact CB-CD2 4.47Å; I379-L391 WeakPolarHBondContact O-CA 3.3Å
392I80.9Confident75.4Confident71 Ų7191 Ų9136%0.36445%0.451SS..EExtended strand (participates in β ladder)trans-114.4126.8177.2-57.6175.5000107.7C378 I379 T381 E390 V394C378-I392 CarbonylContact C-O 3.56Å; C378-I392 WeakPolarHBondContact CA-O 3.42Å; I379-I392 HydrophobicContact CG1-CB 3.95Å; I379-I392 WeakPolarHBondContact CG1-O 3.17Å; I379-I392 PolarHBondContact N-O 2.87Å; I379-I392 PolarHBondContact O-N 3.23Å; T381-I392 HydrophobicContact CG2-CD1 3.87Å; E390-I392 HydrophobicContact CG-CG1 4.42Å; I392-V394 HydrophobicContact CG2-CG2 4.11Å
393E84.3Confident77Confident119 Ų11986.5 Ų86.556%0.55643%0.433SS*.EExtended strand (participates in β ladder)trans-79.1126.4173.6-172.3175.8-166.200109.9T376T376-E393 VanDerWaalsContact CB-OE1 3.27Å; T376-E393 WeakPolarHBondContact CB-OE1 3.25Å; T376-E393 HydrophobicContact CG2-CG 4.02Å; T376-E393 PolarHBondContact OG1-OE1 3.13Å
394V89.8Confident79Confident27 Ų2780.8 Ų80.816%0.16441%0.408CS..EExtended strand (participates in β ladder)trans-128.6134.6-177.1-178.40000109.7T376 C377 I379 I392 V396 L399T376-V394 CarbonylContact C-O 3.53Å; T376-V394 VanDerWaalsContact CA-O 3.3Å; T376-V394 WeakPolarHBondContact CA-O 3.38Å; C377-V394 PolarHBondContact N-O 2.85Å; C377-V394 PolarHBondContact O-N 2.86Å; I379-V394 HydrophobicContact CD1-CG2 3.65Å; I379-V394 HydrophobicContact CG1-CG2 3.8Å; I379-V394 HydrophobicContact CG2-CG2 4.24Å; I392-V394 HydrophobicContact CG2-CG2 4.11Å; V394-V396 PolarHBondContact O-N 3.4Å; V394-L399 HydrophobicContact CG1-CD1 4.3Å; V394-L399 HydrophobicContact CG1-CD2 4.07Å; V394-L399 HydrophobicContact CG1-CG 4.08Å
395P92.6Very high80.7Confident29 Ų2972.8 Ų72.819%0.18837%0.374CS..EExtended strand (participates in β ladder)trans-60.7132.8174.1-22.634.4000111.7K397 D398 L471P395-K397 HydrophobicContact CB-CG 3.83Å; P395-K397 PolarHBondContact O-N 2.95Å; P395-D398 HydrophobicContact CB-CB 4.44Å; P395-D398 WeakPolarHBondContact CB-OD2 3.42Å; P395-D398 WeakPolarHBondContact CG-OD2 3.41Å; P395-D398 WeakPolarHBondContact O-CB 3.2Å; P395-D398 PolarHBondContact O-N 3.47Å; P395-L471 HydrophobicContact CB-CD2 3.76Å; P395-L471 HydrophobicContact CG-CD2 3.6Å
396V92.3Very high82Confident0 Ų070.1 Ų70.10%036%0.359CS..G310 helixtrans-61.9-36.1-179.3175.20000111.3I370 Y372 L375 C377 V394 D398 L399 L404I370-V396 HydrophobicContact CD1-CG1 3.28Å; Y372-V396 HydrophobicContact CD1-CG2 3.85Å; Y372-V396 HydrophobicContact CE1-CG2 3.71Å; L375-V396 PolarHBondContact O-N 3.14Å; C377-V396 HydrophobicContact CB-CG2 4.25Å; V394-V396 PolarHBondContact O-N 3.4Å; V396-D398 PolarHBondContact O-N 3.1Å; V396-L399 PolarHBondContact O-N 3.34Å; V396-L404 HydrophobicContact CG1-CD1 4.09Å; V396-L404 HydrophobicContact CG1-CD2 4.17Å
397K93.9Very high83.1Confident34 Ų3467.2 Ų67.215%0.14834%0.343CS..G310 helixtrans-57.3-18.8174.367.6168.4-172.468.50114.5K365 P395 S473 Y474 F475K365-K397 VanDerWaalsContact CA-O 3.23Å; K365-K397 WeakPolarHBondContact CA-O 3.39Å; K365-K397 WeakPolarHBondContact CB-O 3.49Å; K365-K397 PolarHBondContact N-O 3.36Å; P395-K397 HydrophobicContact CB-CG 3.83Å; P395-K397 PolarHBondContact O-N 2.95Å; K397-S473 WeakPolarHBondContact CE-O 3.33Å; K397-Y474 HydrophobicContact CB-CD2 4.49Å; K397-Y474 HydrophobicContact CB-CE2 3.98Å; K397-Y474 HydrophobicContact CD-CD2 3.65Å; K397-Y474 HydrophobicContact CD-CE2 3.93Å; K397-Y474 HydrophobicContact CG-CD2 4.48Å; K397-Y474 HydrophobicContact CG-CE2 4.28Å; K397-F475 HydrophobicContact CB-CD2 4.47Å; K397-F475 HydrophobicContact CB-CE1 4.38Å; K397-F475 HydrophobicContact CB-CE2 3.46Å; K397-F475 VanDerWaalsContact CB-CE2 3.46Å; K397-F475 HydrophobicContact CB-CZ 3.41Å; K397-F475 VanDerWaalsContact CB-CZ 3.41Å
398D94.3Very high83.5Confident72 Ų7258.4 Ų58.439%0.38530%0.302SS..G310 helixtrans-98.10.7-177.6-63.6-31000112.6K365 P395 V396K365-D398 WeakPolarHBondContact CD-O 3.48Å; P395-D398 HydrophobicContact CB-CB 4.44Å; P395-D398 WeakPolarHBondContact CB-OD2 3.42Å; P395-D398 WeakPolarHBondContact CG-OD2 3.41Å; P395-D398 WeakPolarHBondContact O-CB 3.2Å; P395-D398 PolarHBondContact O-N 3.47Å; V396-D398 PolarHBondContact O-N 3.1Å
399L94.3Very high83.6Confident19 Ų1960.2 Ų60.210%0.09931%0.308CS..SBendtrans-110.9135.8178-61.2174.3000110.9S364 K365 C377 V394 V396 Q403 L404 L407S364-L399 WeakPolarHBondContact CB-O 3.46Å; K365-L399 WeakPolarHBondContact CB-O 3.5Å; K365-L399 PolarHBondContact N-O 2.83Å; C377-L399 WeakPolarHBondContact SG-CD1 3.39Å; V394-L399 HydrophobicContact CG1-CD1 4.3Å; V394-L399 HydrophobicContact CG1-CD2 4.07Å; V394-L399 HydrophobicContact CG1-CG 4.08Å; V396-L399 PolarHBondContact O-N 3.34Å; L399-Q403 HydrophobicContact CB-CB 4.4Å; L399-L404 HydrophobicContact CB-CD2 3.95Å; L399-L404 HydrophobicContact CB-CG 3.9Å; L399-L404 HydrophobicContact CD1-CD2 3.71Å; L399-L404 HydrophobicContact CD1-CG 4.5Å; L399-L404 HydrophobicContact CG-CD2 4.5Å; L399-L407 HydrophobicContact CD1-CD1 3.83Å
400T96Very high83.3Confident36 Ų3658.1 Ų58.122%0.22131%0.306CS..  trans-70.6161.1172.267.40000110.8K365 D366 D402 Q403 L404K365-T400 HydrophobicContact CB-CG2 4.38Å; K365-T400 HydrophobicContact CD-CG2 4.34Å; D366-T400 HydrophobicContact CB-CG2 4.36Å; D366-T400 WeakPolarHBondContact OD1-CA 3.25Å; T400-D402 VanDerWaalsContact C-N 3.28Å; T400-D402 PolarHBondContact O-N 3.36Å; T400-Q403 WeakPolarHBondContact O-CB 3.1Å; T400-Q403 PolarHBondContact O-N 3.25Å; T400-Q403 VanDerWaalsContact O-N 3.1Å; T400-Q403 VanDerWaalsContact OG1-CG 3.26Å; T400-Q403 WeakPolarHBondContact OG1-CG 3.43Å; T400-Q403 PolarHBondContact OG1-N 3.15Å; T400-L404 WeakPolarHBondContact O-CG 3.3Å; T400-L404 PolarHBondContact O-N 3.36Å
401F94.7Very high82.7Confident30 Ų3058.7 Ų58.713%0.13231%0.308CS..Hα-helixtrans-55.2-46.2176.8-177.2-112.3000111.5D366 V368 I370 Q403 L404 Q405D366-F401 PolarHBondContact OD1-N 3.44Å; D366-F401 PolarHBondContact OD2-N 2.94Å; V368-F401 HydrophobicContact CB-CB 3.91Å; V368-F401 HydrophobicContact CB-CD2 4.2Å; V368-F401 HydrophobicContact CB-CG 4.12Å; V368-F401 HydrophobicContact CG1-CB 4.26Å; V368-F401 HydrophobicContact CG1-CD1 4.47Å; V368-F401 HydrophobicContact CG1-CD2 3.76Å; V368-F401 HydrophobicContact CG1-CE2 4.18Å; V368-F401 HydrophobicContact CG1-CG 3.91Å; V368-F401 HydrophobicContact CG2-CB 3.76Å; V368-F401 HydrophobicContact CG2-CG 4.22Å; I370-F401 HydrophobicContact CG2-CD2 3.55Å; I370-F401 HydrophobicContact CG2-CE2 3.9Å; F401-Q403 VanDerWaalsContact C-N 3.33Å; F401-Q403 PolarHBondContact O-N 2.79Å; F401-L404 CarbonylContact O-C 3.54Å; F401-L404 WeakPolarHBondContact O-CB 3.43Å; F401-L404 PolarHBondContact O-N 2.99Å; F401-L404 VanDerWaalsContact O-N 3.13Å; F401-Q405 HydrophobicContact CD1-CG 4.17Å; F401-Q405 HydrophobicContact CE1-CG 3.93Å; F401-Q405 HydrophobicContact CZ-CG 4.19Å; F401-Q405 WeakPolarHBondContact O-CG 3.49Å; F401-Q405 PolarHBondContact O-N 3.48Å
402D91.8Very high81.5Confident106 Ų10655.4 Ų55.457%0.56729%0.293SS*.Hα-helixtrans-61-40.3177.1-65.8-12.2000112.4T400 L404 Q405 L406T400-D402 VanDerWaalsContact C-N 3.28Å; T400-D402 PolarHBondContact O-N 3.36Å; D402-L404 VanDerWaalsContact C-N 3.33Å; D402-L404 PolarHBondContact O-N 2.66Å; D402-Q405 WeakPolarHBondContact O-CB 3.28Å; D402-Q405 PolarHBondContact O-N 3.4Å; D402-Q405 VanDerWaalsContact O-N 3.15Å; D402-L406 WeakPolarHBondContact O-CG 3.15Å; D402-L406 PolarHBondContact O-N 3.11Å
403Q91.4Very high79.7Confident86 Ų8654.7 Ų54.740%0.40230%0.298SS..Hα-helixtrans-63.4-41.2175.5-73.7172.1-26.200111.5L399 T400 F401 Q405 L406 L407L399-Q403 HydrophobicContact CB-CB 4.4Å; T400-Q403 WeakPolarHBondContact O-CB 3.1Å; T400-Q403 PolarHBondContact O-N 3.25Å; T400-Q403 VanDerWaalsContact O-N 3.1Å; T400-Q403 VanDerWaalsContact OG1-CG 3.26Å; T400-Q403 WeakPolarHBondContact OG1-CG 3.43Å; T400-Q403 PolarHBondContact OG1-N 3.15Å; F401-Q403 VanDerWaalsContact C-N 3.33Å; F401-Q403 PolarHBondContact O-N 2.79Å; Q403-Q405 VanDerWaalsContact C-N 3.31Å; Q403-Q405 PolarHBondContact O-N 2.54Å; Q403-L406 PolarHBondContact O-N 3.26Å; Q403-L407 WeakPolarHBondContact O-CG 3.32Å; Q403-L407 PolarHBondContact O-N 2.9Å; Q403-L407 VanDerWaalsContact O-N 3.07Å
404L90.5Very high78.1Confident0 Ų052.7 Ų52.70%030%0.301CS..Hα-helixtrans-63.2-38.1173.4-67.4164.9000111.2I370 V396 L399 T400 F401 D402 L407 K408 F436I370-L404 HydrophobicContact CD1-CD1 3.94Å; I370-L404 HydrophobicContact CG2-CD1 4.3Å; V396-L404 HydrophobicContact CG1-CD1 4.09Å; V396-L404 HydrophobicContact CG1-CD2 4.17Å; L399-L404 HydrophobicContact CB-CD2 3.95Å; L399-L404 HydrophobicContact CB-CG 3.9Å; L399-L404 HydrophobicContact CD1-CD2 3.71Å; L399-L404 HydrophobicContact CD1-CG 4.5Å; L399-L404 HydrophobicContact CG-CD2 4.5Å; T400-L404 WeakPolarHBondContact O-CG 3.3Å; T400-L404 PolarHBondContact O-N 3.36Å; F401-L404 CarbonylContact O-C 3.54Å; F401-L404 WeakPolarHBondContact O-CB 3.43Å; F401-L404 PolarHBondContact O-N 2.99Å; F401-L404 VanDerWaalsContact O-N 3.13Å; D402-L404 VanDerWaalsContact C-N 3.33Å; D402-L404 PolarHBondContact O-N 2.66Å; L404-L407 HydrophobicContact CD2-CD1 4.46Å; L404-L407 PolarHBondContact O-N 3.43Å; L404-K408 WeakPolarHBondContact O-CG 3.18Å; L404-F436 HydrophobicContact CB-CB 4.39Å; L404-F436 HydrophobicContact CB-CG 4.32Å; L404-F436 HydrophobicContact CD2-CD1 4.18Å; L404-F436 HydrophobicContact CD2-CE1 4.1Å; L404-F436 HydrophobicContact CD2-CZ 4.4Å
405Q86.6Confident75.9Confident45 Ų4558.3 Ų58.321%0.2133%0.328CS..Hα-helixtrans-62.1-40.8172.4-58.3-49.1-7200112.3F401 D402 Q403 K408 F436F401-Q405 HydrophobicContact CD1-CG 4.17Å; F401-Q405 HydrophobicContact CE1-CG 3.93Å; F401-Q405 HydrophobicContact CZ-CG 4.19Å; F401-Q405 WeakPolarHBondContact O-CG 3.49Å; F401-Q405 PolarHBondContact O-N 3.48Å; D402-Q405 WeakPolarHBondContact O-CB 3.28Å; D402-Q405 PolarHBondContact O-N 3.4Å; D402-Q405 VanDerWaalsContact O-N 3.15Å; Q403-Q405 VanDerWaalsContact C-N 3.31Å; Q403-Q405 PolarHBondContact O-N 2.54Å; Q405-K408 HydrophobicContact CB-CD 4.4Å; Q405-K408 WeakPolarHBondContact O-CB 3.41Å; Q405-K408 WeakPolarHBondContact O-CG 3.44Å; Q405-K408 PolarHBondContact O-N 3.04Å; Q405-F436 PolarHBondContact NE2-O 3.31Å; Q405-F436 VanDerWaalsContact NE2-O 3.14Å
406L82.5Confident73.6Confident109 Ų10961.3 Ų61.357%0.57135%0.346SS*.Hα-helixtrans-69.1-33.4179.8-69.1173.7000113.1D402 Q403 K408 L409 A410D402-L406 WeakPolarHBondContact O-CG 3.15Å; D402-L406 PolarHBondContact O-N 3.11Å; Q403-L406 PolarHBondContact O-N 3.26Å; L406-K408 PolarHBondContact O-N 2.99Å; L406-L409 HydrophobicContact CD2-CD1 4.07Å; L406-L409 PolarHBondContact O-N 3.28Å; L406-L409 VanDerWaalsContact O-N 3.15Å; L406-A410 PolarHBondContact O-N 3.4Å; L406-A410 VanDerWaalsContact O-N 3.16Å
407L76.9Confident71.2Confident43 Ų4364.8 Ų64.823%0.22538%0.382CS..Hα-helixtrans-59.3-30.1173.1-70.9175.9000111.8I379 L399 Q403 L404 H411I379-L407 HydrophobicContact CB-CD2 4.04Å; I379-L407 HydrophobicContact CG2-CD1 3.77Å; I379-L407 HydrophobicContact CG2-CD2 3.55Å; I379-L407 HydrophobicContact CG2-CG 4.32Å; L399-L407 HydrophobicContact CD1-CD1 3.83Å; Q403-L407 WeakPolarHBondContact O-CG 3.32Å; Q403-L407 PolarHBondContact O-N 2.9Å; Q403-L407 VanDerWaalsContact O-N 3.07Å; L404-L407 HydrophobicContact CD2-CD1 4.46Å; L404-L407 PolarHBondContact O-N 3.43Å; L407-H411 PolarHBondContact O-N 3.11Å
408K65.4Low68.5Low14 Ų1465.4 Ų65.46%0.06139%0.39CS..Hα-helixtrans-60.6-53.4173.2-46.3174.7179.4-160.30111L404 Q405 L406 A410 H411 V412 Q434 P435 F436L404-K408 WeakPolarHBondContact O-CG 3.18Å; Q405-K408 HydrophobicContact CB-CD 4.4Å; Q405-K408 WeakPolarHBondContact O-CB 3.41Å; Q405-K408 WeakPolarHBondContact O-CG 3.44Å; Q405-K408 PolarHBondContact O-N 3.04Å; L406-K408 PolarHBondContact O-N 2.99Å; K408-A410 VanDerWaalsContact C-N 3.33Å; K408-A410 PolarHBondContact O-N 2.97Å; K408-H411 PolarHBondContact O-N 3.43Å; K408-V412 WeakPolarHBondContact O-CG2 3.43Å; K408-V412 PolarHBondContact O-N 2.77Å; K408-V412 VanDerWaalsContact O-N 3.12Å; K408-Q434 HydrophobicContact CD-CB 4.15Å; K408-P435 WeakPolarHBondContact CE-O 3.3Å; K408-P435 HydrophobicContact CG-CG 4.11Å; K408-P435 PolarHBondContact NZ-O 3.31Å; K408-F436 HydrophobicContact CG-CD2 4.16Å; K408-F436 PolarHBondContact NZ-O 3.13Å
409L55.3Low66.1Low115 Ų11570.5 Ų70.560%0.60242%0.417SS*.Hα-helixtrans-62.3-39.4-176.4-64.3175.2000112.2L406 A413L406-L409 HydrophobicContact CD2-CD1 4.07Å; L406-L409 PolarHBondContact O-N 3.28Å; L406-L409 VanDerWaalsContact O-N 3.15Å; L409-A413 WeakPolarHBondContact O-CB 3.21Å; L409-A413 PolarHBondContact O-N 3.39Å
410A56.1Low63.6Low61 Ų6175.9 Ų75.950%0.50444%0.442SS..Hα-helixtrans-66.9-39179.200000112.8L406 K408 A414L406-A410 PolarHBondContact O-N 3.4Å; L406-A410 VanDerWaalsContact O-N 3.16Å; K408-A410 VanDerWaalsContact C-N 3.33Å; K408-A410 PolarHBondContact O-N 2.97Å; A410-A414 WeakPolarHBondContact O-CB 3.26Å; A410-A414 PolarHBondContact O-N 3.01Å; A410-A414 VanDerWaalsContact O-N 3.09Å
411H54.9Low60.8Low95 Ų9583.4 Ų83.444%0.4447%0.471SS..Hα-helixtrans-69.3-40.8177.5-172.8-83.6000111.9L407 K408 A414 M415L407-H411 PolarHBondContact O-N 3.11Å; K408-H411 PolarHBondContact O-N 3.43Å; H411-A414 PolarHBondContact O-N 2.96Å; H411-M415 WeakPolarHBondContact CE1-CE 3.25Å; H411-M415 PolarHBondContact CE1-SD 2.79Å; H411-M415 PolarHBondContact O-N 2.99Å
412V47.9Very low58Low53 Ų5388 Ų8832%0.32150%0.497SS..Hα-helixtrans-62.3-49175.8174.90000110.9K408 A414 M415 T416K408-V412 WeakPolarHBondContact O-CG2 3.43Å; K408-V412 PolarHBondContact O-N 2.77Å; K408-V412 VanDerWaalsContact O-N 3.12Å; V412-A414 VanDerWaalsContact C-N 3.27Å; V412-A414 PolarHBondContact O-N 2.86Å; V412-M415 PolarHBondContact O-N 3.33Å; V412-M415 VanDerWaalsContact O-N 3.09Å; V412-T416 HydrophobicContact CG1-CG2 4.45Å; V412-T416 PolarHBondContact O-N 2.8Å; V412-T416 PolarHBondContact O-OG1 3.06Å; V412-T416 VanDerWaalsContact O-OG1 3.1Å
413A42.6Very low55.6Low55 Ų5590.3 Ų90.346%0.45551%0.509SS..Hα-helixtrans-60.7-34.9177.700000112.9L409L409-A413 WeakPolarHBondContact O-CB 3.21Å; L409-A413 PolarHBondContact O-N 3.39Å
414A50.1Low53.1Low77 Ų7792.7 Ų92.764%0.63652%0.524SS*.Hα-helixtrans-71-32.3175.300000113.1A410 H411 V412A410-A414 WeakPolarHBondContact O-CB 3.26Å; A410-A414 PolarHBondContact O-N 3.01Å; A410-A414 VanDerWaalsContact O-N 3.09Å; H411-A414 PolarHBondContact O-N 2.96Å; V412-A414 VanDerWaalsContact C-N 3.27Å; V412-A414 PolarHBondContact O-N 2.86Å
415M42.9Very low50.7Low146 Ų146101 Ų10172%0.71956%0.563SS**Hα-helixtrans-82-30.3179.5-76.4-154.7158.700114.1H411 V412H411-M415 WeakPolarHBondContact CE1-CE 3.25Å; H411-M415 PolarHBondContact CE1-SD 2.79Å; H411-M415 PolarHBondContact O-N 2.99Å; V412-M415 PolarHBondContact O-N 3.33Å; V412-M415 VanDerWaalsContact O-N 3.09Å
416T44.8Very low48.4Very low91 Ų91105 Ų10556%0.55859%0.585SS**Hα-helixtrans-88.3-7.3-179.155.80000114V412 S418V412-T416 HydrophobicContact CG1-CG2 4.45Å; V412-T416 PolarHBondContact O-N 2.8Å; V412-T416 PolarHBondContact O-OG1 3.06Å; V412-T416 VanDerWaalsContact O-OG1 3.1Å; T416-S418 PolarHBondContact O-N 2.84Å; T416-S418 VanDerWaalsContact O-N 3.1Å
417G42.8Very low46.7Very low74 Ų74108 Ų10876%0.76360%0.596SS**  trans65.612.5168.900000115.8
418S37.6Very low45.1Very low46 Ų46113.8 Ų113.832%0.32263%0.628SS.*  trans-114.9127-177.563.40000112T416 H420T416-S418 PolarHBondContact O-N 2.84Å; T416-S418 VanDerWaalsContact O-N 3.1Å; S418-H420 VanDerWaalsContact CB-CD2 3.42Å; S418-H420 WeakPolarHBondContact CB-CD2 3.37Å; S418-H420 PolarHBondContact O-N 3.29Å; S418-H420 PolarHBondContact OG-CD2 3.11Å; S418-H420 VanDerWaalsContact OG-CD2 3.29Å
419D42.9Very low44.5Very low179 Ų179120.8 Ų120.896%0.95766%0.66SS**  trans-66.972.6160.1-83.4-34.2000109
420H41Very low44.7Very low133 Ų133118.5 Ų118.562%0.61665%0.651SS**  trans-98.9109.1174.1-91.3-57.2000110.5S418 D422S418-H420 VanDerWaalsContact CB-CD2 3.42Å; S418-H420 WeakPolarHBondContact CB-CD2 3.37Å; S418-H420 PolarHBondContact O-N 3.29Å; S418-H420 PolarHBondContact OG-CD2 3.11Å; S418-H420 VanDerWaalsContact OG-CD2 3.29Å; H420-D422 PolarHBondContact O-N 3.22Å
421K38.2Very low45.7Very low193 Ų193119.4 Ų119.484%0.83965%0.648SS**  trans-80.88.8174.6-128.8178.2-178.5-1780113.1
422D35.6Very low47Very low126 Ų126118.1 Ų118.167%0.67464%0.642SS**  trans-12729.8-162.4-61.8-32.9000114.3H420H420-D422 PolarHBondContact O-N 3.22Å
423L41.7Very low48.5Very low155 Ų155120.5 Ų120.581%0.81265%0.649SS**  trans-10751.5168.6-71.2172.3000111
424L39.2Very low50.4Low136 Ų136119.8 Ų119.871%0.71264%0.636SS**  trans-108.927.6168.8-71.3173.6000111.2
425E39.4Very low52.1Low176 Ų176116.4 Ų116.482%0.82261%0.608SS**SBendtrans-125.395.6177.9-68.9-174.4175.900108.3
426D38.6Very low54.3Low128 Ų128110 Ų11068%0.68458%0.576SS**  trans124.660167.3-65.1-23.5000112.5D428D426-D428 PolarHBondContact O-N 3.01Å
427E47Very low56.7Low172 Ų172105.9 Ų105.980%0.80455%0.551SS**THydrogen-bonded Turntrans-64-11.2171.7-69.7-174.7160.600113.2
428D44Very low59.3Low165 Ų165103 Ų10388%0.88252%0.519SS*.THydrogen-bonded Turntrans-97.5-13-174.6-71.2-37.1000114.7D426D426-D428 PolarHBondContact O-N 3.01Å
429E50.9Low62.2Low160 Ų160100.8 Ų100.875%0.74850%0.504SS*.SBendtrans-94.1116.3174.1-77-162.7168.700111.3D431E429-D431 PolarHBondContact O-N 2.95Å
430V60.4Low64.7Low68 Ų6894.1 Ų94.141%0.41247%0.471SS..  trans-67.2105172.5-179.20000108.2I343 E432I343-V430 HydrophobicContact CD1-CG1 3.62Å; V430-E432 WeakPolarHBondContact O-CG 3.37Å; V430-E432 PolarHBondContact O-N 2.77Å
431D76.2Confident67.3Low80 Ų8089.9 Ų89.943%0.42845%0.451SS..  trans-60.4107.2171.5177.4-3.1000109.6E429 H433 Q434E429-D431 PolarHBondContact O-N 2.95Å; D431-H433 PolarHBondContact O-N 3.05Å; D431-H433 VanDerWaalsContact O-N 3.11Å; D431-H433 WeakPolarHBondContact OD1-CB 3.28Å; D431-H433 IonicContact OD1-CD2 3.22Å; D431-H433 PolarHBondContact OD1-N 3.02Å; D431-Q434 HydrophobicContact CB-CG 3.58Å; D431-Q434 VanDerWaalsContact CG-CG 3.49Å; D431-Q434 WeakPolarHBondContact O-CB 3.41Å; D431-Q434 PolarHBondContact O-N 2.87Å; D431-Q434 VanDerWaalsContact O-N 3.12Å; D431-Q434 WeakPolarHBondContact OD2-CG 3.48Å; D431-Q434 PolarHBondContact OD2-NE2 3Å
432E82.8Confident70.1Confident68 Ų6880.7 Ų80.732%0.31841%0.411SS..THydrogen-bonded Turntrans-65.9-15.5-171.6-58.3-169.2170.100113.3T342 I343 A344 K347 V430T342-E432 WeakPolarHBondContact CB-O 3.19Å; I343-E432 HydrophobicContact CB-CB 3.92Å; I343-E432 HydrophobicContact CB-CG 4.27Å; I343-E432 HydrophobicContact CG2-CB 3.88Å; I343-E432 HydrophobicContact CG2-CG 3.79Å; I343-E432 PolarHBondContact N-O 3.28Å; I343-E432 VanDerWaalsContact N-O 3.15Å; A344-E432 HydrophobicContact CB-CB 4.04Å; A344-E432 WeakPolarHBondContact CB-O 3.29Å; A344-E432 PolarHBondContact N-O 2.97Å; K347-E432 WeakPolarHBondContact CD-OE2 3.37Å; K347-E432 IonicContact NZ-OE1 2.95Å; K347-E432 PolarHBondContact NZ-OE1 3.1Å; K347-E432 IonicContact NZ-OE2 2.99Å; K347-E432 PolarHBondContact NZ-OE2 2.73Å; V430-E432 WeakPolarHBondContact O-CG 3.37Å; V430-E432 PolarHBondContact O-N 2.77Å
433H80.6Confident73Confident102 Ų10275.4 Ų75.447%0.47238%0.383SS..THydrogen-bonded Turntrans-91-2.6179.4-67-79.5000113.6T342 A344 D431T342-H433 WeakPolarHBondContact CG2-O 3.3Å; A344-H433 VanDerWaalsContact CB-CE1 3.43Å; A344-H433 WeakPolarHBondContact CB-CE1 3.27Å; A344-H433 WeakPolarHBondContact CB-ND1 3.48Å; D431-H433 PolarHBondContact O-N 3.05Å; D431-H433 VanDerWaalsContact O-N 3.11Å; D431-H433 WeakPolarHBondContact OD1-CB 3.28Å; D431-H433 IonicContact OD1-CD2 3.22Å; D431-H433 PolarHBondContact OD1-N 3.02Å
434Q81.6Confident75.6Confident40 Ų4075 Ų7519%0.18738%0.377CS..  trans-80.6140.7-175.5-66.2-61.3-26.700112.6T342 K408 D431T342-Q434 WeakPolarHBondContact CG2-O 3.29Å; K408-Q434 HydrophobicContact CD-CB 4.15Å; D431-Q434 HydrophobicContact CB-CG 3.58Å; D431-Q434 VanDerWaalsContact CG-CG 3.49Å; D431-Q434 WeakPolarHBondContact O-CB 3.41Å; D431-Q434 PolarHBondContact O-N 2.87Å; D431-Q434 VanDerWaalsContact O-N 3.12Å; D431-Q434 WeakPolarHBondContact OD2-CG 3.48Å; D431-Q434 PolarHBondContact OD2-NE2 3Å
435P85.4Confident78.2Confident6 Ų670 Ų704%0.03935%0.354CS..SBendtrans-68.3174.8173.832.9-37000110.8K408K408-P435 WeakPolarHBondContact CE-O 3.3Å; K408-P435 HydrophobicContact CG-CG 4.11Å; K408-P435 PolarHBondContact NZ-O 3.31Å
436F90.6Very high80.8Confident12 Ų1261.8 Ų61.85%0.05332%0.317CS..  trans50.443.4177.7-37.5-78.5000115.5Y372 C377 L404 Q405 K408Y372-F436 HydrophobicContact CD1-CD1 4.29Å; Y372-F436 AromaticContact CD1-CE1 3.74Å; Y372-F436 HydrophobicContact CD1-CE1 3.74Å; Y372-F436 AromaticContact CD2-CD1 3.72Å; Y372-F436 HydrophobicContact CD2-CD1 3.72Å; Y372-F436 AromaticContact CD2-CE1 3.28Å; Y372-F436 HydrophobicContact CD2-CE1 3.28Å; Y372-F436 HydrophobicContact CD2-CZ 4.01Å; Y372-F436 AromaticContact CE1-CE1 3.92Å; Y372-F436 HydrophobicContact CE1-CE1 3.92Å; Y372-F436 HydrophobicContact CE2-CD1 4.37Å; Y372-F436 AromaticContact CE2-CE1 3.5Å; Y372-F436 HydrophobicContact CE2-CE1 3.5Å; Y372-F436 VanDerWaalsContact CE2-CE1 3.5Å; Y372-F436 AromaticContact CE2-CZ 3.82Å; Y372-F436 HydrophobicContact CE2-CZ 3.82Å; Y372-F436 AromaticContact CG-CD1 3.67Å; Y372-F436 HydrophobicContact CG-CD1 3.67Å; Y372-F436 AromaticContact CG-CE1 3.41Å; Y372-F436 HydrophobicContact CG-CE1 3.41Å; Y372-F436 VanDerWaalsContact CG-CE1 3.41Å; Y372-F436 HydrophobicContact CG-CZ 4.49Å; Y372-F436 AromaticContact CZ-CE1 3.81Å; C377-F436 HydrophobicContact CB-CZ 4.27Å; L404-F436 HydrophobicContact CB-CB 4.39Å; L404-F436 HydrophobicContact CB-CG 4.32Å; L404-F436 HydrophobicContact CD2-CD1 4.18Å; L404-F436 HydrophobicContact CD2-CE1 4.1Å; L404-F436 HydrophobicContact CD2-CZ 4.4Å; Q405-F436 PolarHBondContact NE2-O 3.31Å; Q405-F436 VanDerWaalsContact NE2-O 3.14Å; K408-F436 HydrophobicContact CG-CD2 4.16Å; K408-F436 PolarHBondContact NZ-O 3.13Å
437P94.7Very high83.4Confident5 Ų558.6 Ų58.63%0.03230%0.303CS..  trans-63.1147.3166.129.1-31.7000109.1N341 I343 V371 I442N341-P437 WeakPolarHBondContact O-CD 3.15Å; I343-P437 HydrophobicContact CD1-CB 4.46Å; I343-P437 HydrophobicContact CG1-CB 4.45Å; V371-P437 HydrophobicContact CB-CG 4.14Å; V371-P437 PolarHBondContact N-O 3.04Å; P437-I442 HydrophobicContact CB-CD1 4.46Å; P437-I442 HydrophobicContact CB-CG1 4.13Å; P437-I442 HydrophobicContact CG-CD1 4.01Å; P437-I442 HydrophobicContact CG-CG1 4.11Å
438S96.6Very high85.6Confident13 Ų1355.2 Ų55.29%0.09129%0.287CS..BIsolated β-bridgetrans-71152.8168.1670000109.9P369 S440 Q441 I442P369-S438 CarbonylContact O-C 3.51Å; P369-S438 WeakPolarHBondContact O-CA 3.3Å; S438-S440 PolarHBondContact O-N 2.79Å; S438-Q441 WeakPolarHBondContact O-CB 3.47Å; S438-Q441 PolarHBondContact O-N 3.01Å; S438-Q441 VanDerWaalsContact O-N 3.12Å; S438-Q441 VanDerWaalsContact OG-CG 3.24Å; S438-Q441 WeakPolarHBondContact OG-CG 3.2Å; S438-Q441 PolarHBondContact OG-N 2.94Å; S438-Q441 PolarHBondContact OG-OE1 2.84Å; S438-I442 PolarHBondContact O-N 2.85Å
439L97.8Very high87.8Confident0 Ų049.3 Ų49.30%026%0.258CS..Hα-helixtrans-58.5-35.7176.3-176.756.9000112.1F359 V361 P369 V371 I442 F443 I454 I484 C487 V488F359-L439 HydrophobicContact CE2-CD1 3.68Å; F359-L439 HydrophobicContact CZ-CD1 4.06Å; V361-L439 HydrophobicContact CG1-CD2 4.26Å; V361-L439 HydrophobicContact CG2-CD1 4.17Å; V361-L439 HydrophobicContact CG2-CD2 4.49Å; P369-L439 HydrophobicContact CB-CB 3.77Å; P369-L439 HydrophobicContact CB-CD2 4.26Å; P369-L439 PolarHBondContact O-N 3.28Å; V371-L439 HydrophobicContact CG2-CD1 4.49Å; L439-I442 PolarHBondContact O-N 3.14Å; L439-F443 HydrophobicContact CD1-CD2 4.25Å; L439-F443 HydrophobicContact CD1-CE2 3.83Å; L439-F443 HydrophobicContact CD2-CE2 4.14Å; L439-F443 HydrophobicContact CG-CD2 4.02Å; L439-F443 HydrophobicContact CG-CE2 3.67Å; L439-F443 VanDerWaalsContact O-CD2 3.26Å; L439-F443 WeakPolarHBondContact O-CD2 3.29Å; L439-F443 PolarHBondContact O-N 2.57Å; L439-F443 VanDerWaalsContact O-N 3.13Å; L439-I454 HydrophobicContact CD1-CD1 4.47Å; L439-I484 HydrophobicContact CD2-CG2 4.27Å; L439-C487 HydrophobicContact CD2-CB 4.42Å; L439-V488 HydrophobicContact CD2-CG2 3.77Å
440S96.8Very high89.8Confident38 Ų3841.8 Ų41.827%0.26622%0.223SC..Hα-helixtrans-61.9-44.8175.9-172.50000112.1S438 I442 F443 Q444S438-S440 PolarHBondContact O-N 2.79Å; S440-I442 VanDerWaalsContact C-N 3.28Å; S440-I442 PolarHBondContact O-N 2.86Å; S440-F443 PolarHBondContact O-N 2.92Å; S440-Q444 WeakPolarHBondContact O-CG 3.49Å; S440-Q444 PolarHBondContact O-N 3.09Å
441Q95.7Very high91.6Very high44 Ų4438.5 Ų38.521%0.20620%0.204CC..Hα-helixtrans-60.3-38.4176.6-76.1164.6-45.500111.8S438 Q444 A445S438-Q441 WeakPolarHBondContact O-CB 3.47Å; S438-Q441 PolarHBondContact O-N 3.01Å; S438-Q441 VanDerWaalsContact O-N 3.12Å; S438-Q441 VanDerWaalsContact OG-CG 3.24Å; S438-Q441 WeakPolarHBondContact OG-CG 3.2Å; S438-Q441 PolarHBondContact OG-N 2.94Å; S438-Q441 PolarHBondContact OG-OE1 2.84Å; Q441-Q444 PolarHBondContact O-N 3Å; Q441-A445 VanDerWaalsContact O-CB 3.3Å; Q441-A445 WeakPolarHBondContact O-CB 3.23Å; Q441-A445 PolarHBondContact O-N 3.32Å
442I96.1Very high92.7Very high0 Ų034.7 Ų34.70%018%0.183CC..Hα-helixtrans-65.8-43.1177.3-64.7171000111.5I343 F346 F359 V371 P437 S438 L439 S440 Q444 A445 V446 F452I343-I442 HydrophobicContact CG1-CG1 4.34Å; F346-I442 HydrophobicContact CD2-CD1 4.32Å; F346-I442 HydrophobicContact CD2-CG1 4.35Å; F346-I442 HydrophobicContact CD2-CG2 4.07Å; F346-I442 HydrophobicContact CE2-CD1 3.54Å; F346-I442 HydrophobicContact CE2-CG1 3.98Å; F346-I442 HydrophobicContact CE2-CG2 4.25Å; F346-I442 HydrophobicContact CZ-CD1 4.3Å; F359-I442 HydrophobicContact CE1-CG2 4.4Å; F359-I442 HydrophobicContact CE2-CD1 4.49Å; F359-I442 HydrophobicContact CZ-CG2 4.33Å; V371-I442 HydrophobicContact CB-CD1 3.66Å; V371-I442 HydrophobicContact CG1-CD1 3.89Å; V371-I442 HydrophobicContact CG2-CD1 3.11Å; V371-I442 HydrophobicContact CG2-CG1 4.45Å; P437-I442 HydrophobicContact CB-CD1 4.46Å; P437-I442 HydrophobicContact CB-CG1 4.13Å; P437-I442 HydrophobicContact CG-CD1 4.01Å; P437-I442 HydrophobicContact CG-CG1 4.11Å; S438-I442 PolarHBondContact O-N 2.85Å; L439-I442 PolarHBondContact O-N 3.14Å; S440-I442 VanDerWaalsContact C-N 3.28Å; S440-I442 PolarHBondContact O-N 2.86Å; I442-Q444 PolarHBondContact O-N 2.89Å; I442-A445 PolarHBondContact O-N 3.44Å; I442-V446 HydrophobicContact CG2-CG2 3.85Å; I442-V446 PolarHBondContact O-N 2.79Å; I442-F452 HydrophobicContact CG2-CE1 4.35Å; I442-F452 HydrophobicContact CG2-CE2 3.79Å; I442-F452 HydrophobicContact CG2-CZ 3.56Å
443F97.4Very high93.4Very high16 Ų1631.5 Ų31.57%0.0717%0.168CC..Hα-helixtrans-59.1-36176.6-83.7-63.1000112.6L439 S440 F452 I454 V488 N491 A492 I497L439-F443 HydrophobicContact CD1-CD2 4.25Å; L439-F443 HydrophobicContact CD1-CE2 3.83Å; L439-F443 HydrophobicContact CD2-CE2 4.14Å; L439-F443 HydrophobicContact CG-CD2 4.02Å; L439-F443 HydrophobicContact CG-CE2 3.67Å; L439-F443 VanDerWaalsContact O-CD2 3.26Å; L439-F443 WeakPolarHBondContact O-CD2 3.29Å; L439-F443 PolarHBondContact O-N 2.57Å; L439-F443 VanDerWaalsContact O-N 3.13Å; S440-F443 PolarHBondContact O-N 2.92Å; F443-F452 HydrophobicContact CD1-CD2 4.08Å; F443-F452 AromaticContact CD1-CE2 3.57Å; F443-F452 HydrophobicContact CD1-CE2 3.57Å; F443-F452 AromaticContact CE1-CD2 3.56Å; F443-F452 HydrophobicContact CE1-CD2 3.56Å; F443-F452 AromaticContact CE1-CE2 3.56Å; F443-F452 HydrophobicContact CE1-CE2 3.56Å; F443-F452 HydrophobicContact CG-CE2 4.2Å; F443-F452 AromaticContact CZ-CD2 3.99Å; F443-F452 HydrophobicContact CZ-CD2 3.99Å; F443-F452 HydrophobicContact CZ-CE2 4.21Å; F443-I454 HydrophobicContact CZ-CD1 4.2Å; F443-V488 HydrophobicContact CE2-CB 4.49Å; F443-V488 HydrophobicContact CE2-CG2 4.07Å; F443-V488 HydrophobicContact CZ-CB 4.35Å; F443-V488 HydrophobicContact CZ-CG1 4.14Å; F443-V488 HydrophobicContact CZ-CG2 4.09Å; F443-N491 HydrophobicContact CB-CB 3.96Å; F443-N491 HydrophobicContact CD2-CB 3.7Å; F443-N491 HydrophobicContact CE2-CB 4.34Å; F443-N491 HydrophobicContact CG-CB 3.82Å; F443-A492 HydrophobicContact CD1-CB 4.45Å; F443-A492 HydrophobicContact CE1-CB 3.71Å; F443-A492 HydrophobicContact CZ-CB 4.07Å; F443-I497 HydrophobicContact CE1-CD1 3.86Å; F443-I497 HydrophobicContact CZ-CD1 4.21Å
444Q94.9Very high94.3Very high147 Ų14726.6 Ų26.669%0.68715%0.146SC*.Hα-helixtrans-75.4-39.2178.3-66.8171.95.600112.6S440 Q441 I442S440-Q444 WeakPolarHBondContact O-CG 3.49Å; S440-Q444 PolarHBondContact O-N 3.09Å; Q441-Q444 PolarHBondContact O-N 3Å; I442-Q444 PolarHBondContact O-N 2.89Å
445A94.3Very high95.1Very high29 Ų2925.6 Ų25.624%0.2414%0.141CC..Hα-helixtrans-90-32.8-169.100000114.7I343 K347 Q441 I442I343-A445 HydrophobicContact CD1-CB 3.84Å; I343-A445 HydrophobicContact CG1-CB 4.19Å; I343-A445 HydrophobicContact CG2-CB 3.58Å; K347-A445 WeakPolarHBondContact CE-O 3.37Å; Q441-A445 VanDerWaalsContact O-CB 3.3Å; Q441-A445 WeakPolarHBondContact O-CB 3.23Å; Q441-A445 PolarHBondContact O-N 3.32Å; I442-A445 PolarHBondContact O-N 3.44Å
446V94.4Very high95.7Very high5 Ų525.4 Ų25.43%0.0314%0.14CC..SBendtrans-86.1139.3-177.7-176.60000109.9F346 I442 E448 V450 F452 R495F346-V446 HydrophobicContact CB-CG1 4.47Å; F346-V446 HydrophobicContact CB-CG2 3.75Å; F346-V446 HydrophobicContact CD2-CG2 4.19Å; F346-V446 HydrophobicContact CG-CG2 4.41Å; I442-V446 HydrophobicContact CG2-CG2 3.85Å; I442-V446 PolarHBondContact O-N 2.79Å; V446-E448 PolarHBondContact O-N 3.01Å; V446-V450 HydrophobicContact CG1-CB 4.24Å; V446-V450 HydrophobicContact CG1-CG2 4.42Å; V446-F452 HydrophobicContact CB-CE1 4.08Å; V446-F452 HydrophobicContact CB-CZ 3.91Å; V446-F452 HydrophobicContact CG1-CE1 3.84Å; V446-F452 HydrophobicContact CG1-CZ 4.2Å; V446-F452 HydrophobicContact CG2-CZ 4.32Å; V446-R495 PolarHBondContact O-NH2 3.27Å
447P92.4Very high96Very high61 Ų6126.1 Ų26.140%0.39614%0.143SC..  trans-59.3136-179.1-25.434.6000113.9S449 V450 R495P447-S449 PolarHBondContact O-N 2.91Å; P447-S449 VanDerWaalsContact O-N 3.1Å; P447-V450 HydrophobicContact CB-CG2 4.36Å; P447-V450 PolarHBondContact O-N 2.83Å; P447-V450 VanDerWaalsContact O-N 3.08Å; P447-R495 PolarHBondContact O-NH1 3.31Å; P447-R495 PolarHBondContact O-NH2 3.49Å
448E93.2Very high96Very high100 Ų10027.1 Ų27.147%0.46715%0.146SC..THydrogen-bonded Turntrans-58.7-23.7-175.9-165.5176.3-163.500114.6V446 V450 K494 R495V446-E448 PolarHBondContact O-N 3.01Å; E448-V450 PolarHBondContact O-N 3.21Å; E448-K494 WeakPolarHBondContact OE1-CA 3.29Å; E448-K494 WeakPolarHBondContact OE1-CB 3.42Å; E448-K494 PolarHBondContact OE1-N 3.38Å; E448-R495 HydrophobicContact CG-CB 4.21Å
449S90.4Very high95.9Very high41 Ų4127 Ų2729%0.28714%0.144SC..THydrogen-bonded Turntrans-69.2-16.6177.356.20000114.2P447 Q621P447-S449 PolarHBondContact O-N 2.91Å; P447-S449 VanDerWaalsContact O-N 3.1Å; S449-Q621 PolarHBondContact OG-NE2 2.88Å
450V94.4Very high95.6Very high2 Ų227.7 Ų27.71%0.01215%0.149CC..SBendtrans-88.4126178.3-173.60000109.4A350 V357 V446 P447 E448 R495A350-V450 HydrophobicContact CB-CB 4.43Å; A350-V450 HydrophobicContact CB-CG1 4.14Å; A350-V450 HydrophobicContact CB-CG2 3.42Å; A350-V450 VanDerWaalsContact CB-CG2 3.42Å; V357-V450 HydrophobicContact CG1-CG1 4.15Å; V357-V450 HydrophobicContact CG2-CG1 4.32Å; V446-V450 HydrophobicContact CG1-CB 4.24Å; V446-V450 HydrophobicContact CG1-CG2 4.42Å; P447-V450 HydrophobicContact CB-CG2 4.36Å; P447-V450 PolarHBondContact O-N 2.83Å; P447-V450 VanDerWaalsContact O-N 3.08Å; E448-V450 PolarHBondContact O-N 3.21Å; V450-R495 WeakPolarHBondContact O-CD 3.46Å; V450-R495 VanDerWaalsContact O-CG 3.23Å; V450-R495 WeakPolarHBondContact O-CG 3.37Å; V450-R495 PolarHBondContact O-NH1 3.46Å
451G97.3Very high95.3Very high0 Ų028.3 Ų28.30%015%0.148CC..EExtended strand (participates in β ladder)trans-72.5156175.300000112.6A355 F356 V357 R496A355-G451 PolarHBondContact O-N 3.31Å; F356-G451 CarbonylContact C-O 3.59Å; F356-G451 WeakPolarHBondContact CA-O 3.43Å; V357-G451 PolarHBondContact N-O 2.92Å; G451-R496 CarbonylContact C-O 3.34Å; G451-R496 WeakPolarHBondContact CA-O 3.18Å
452F98.6Very high95.1Very high0 Ų027 Ų270%014%0.142CC..EExtended strand (participates in β ladder)trans-111.4131.5169.2-64.7-15.9000111.8V357 F359 I442 F443 V446 I454 R495 R496 I497 I498V357-F452 HydrophobicContact CG2-CD1 3.58Å; V357-F452 HydrophobicContact CG2-CE1 3.78Å; F359-F452 HydrophobicContact CE1-CB 3.96Å; F359-F452 AromaticContact CE1-CD1 3.81Å; F359-F452 HydrophobicContact CE1-CD1 3.81Å; F359-F452 AromaticContact CE1-CD2 3.98Å; F359-F452 HydrophobicContact CE1-CD2 3.98Å; F359-F452 HydrophobicContact CE1-CE1 4.29Å; F359-F452 HydrophobicContact CE1-CE2 4.41Å; F359-F452 AromaticContact CE1-CG 3.67Å; F359-F452 HydrophobicContact CE1-CG 3.67Å; F359-F452 HydrophobicContact CZ-CB 4.04Å; F359-F452 HydrophobicContact CZ-CD1 4.37Å; F359-F452 AromaticContact CZ-CD2 3.69Å; F359-F452 HydrophobicContact CZ-CD2 3.69Å; F359-F452 HydrophobicContact CZ-CE2 4.18Å; F359-F452 AromaticContact CZ-CG 3.81Å; F359-F452 HydrophobicContact CZ-CG 3.81Å; I442-F452 HydrophobicContact CG2-CE1 4.35Å; I442-F452 HydrophobicContact CG2-CE2 3.79Å; I442-F452 HydrophobicContact CG2-CZ 3.56Å; F443-F452 HydrophobicContact CD1-CD2 4.08Å; F443-F452 AromaticContact CD1-CE2 3.57Å; F443-F452 HydrophobicContact CD1-CE2 3.57Å; F443-F452 AromaticContact CE1-CD2 3.56Å; F443-F452 HydrophobicContact CE1-CD2 3.56Å; F443-F452 AromaticContact CE1-CE2 3.56Å; F443-F452 HydrophobicContact CE1-CE2 3.56Å; F443-F452 HydrophobicContact CG-CE2 4.2Å; F443-F452 AromaticContact CZ-CD2 3.99Å; F443-F452 HydrophobicContact CZ-CD2 3.99Å; F443-F452 HydrophobicContact CZ-CE2 4.21Å; V446-F452 HydrophobicContact CB-CE1 4.08Å; V446-F452 HydrophobicContact CB-CZ 3.91Å; V446-F452 HydrophobicContact CG1-CE1 3.84Å; V446-F452 HydrophobicContact CG1-CZ 4.2Å; V446-F452 HydrophobicContact CG2-CZ 4.32Å; F452-I454 HydrophobicContact CB-CD1 4.34Å; F452-I454 HydrophobicContact CB-CG1 3.89Å; F452-R495 VanDerWaalsContact CE1-NH1 3.32Å; F452-R495 VanDerWaalsContact CZ-CZ 3.45Å; F452-R496 PolarHBondContact N-O 2.85Å; F452-I497 HydrophobicContact CB-CD1 3.89Å; F452-I497 HydrophobicContact CD2-CD1 4.08Å; F452-I497 HydrophobicContact CG-CD1 4.27Å; F452-I497 CarbonylContact O-C 3.57Å; F452-I497 WeakPolarHBondContact O-CA 3.41Å; F452-I498 PolarHBondContact O-N 3.02Å
453N98.7Very high94.7Very high0 Ų032 Ų320%016%0.164CC..EExtended strand (participates in β ladder)trans-100.2106.8158.8177.414.6000107.7V357 E358 F359 I498 S500V357-N453 PolarHBondContact O-N 2.8Å; E358-N453 VanDerWaalsContact CA-O 3.26Å; E358-N453 WeakPolarHBondContact CA-O 3.05Å; E358-N453 HydrophobicContact CB-CB 3.98Å; E358-N453 HydrophobicContact CG-CB 4.19Å; E358-N453 WeakPolarHBondContact CG-ND2 3.42Å; F359-N453 PolarHBondContact N-O 3.05Å; F359-N453 VanDerWaalsContact N-O 3.1Å; N453-I498 CarbonylContact C-O 3.54Å; N453-I498 VanDerWaalsContact CA-O 3.27Å; N453-I498 WeakPolarHBondContact CA-O 3.47Å; N453-S500 WeakPolarHBondContact OD1-CB 3.48Å; N453-S500 PolarHBondContact OD1-OG 3.07Å
454I98.8Very high94.2Very high0 Ų036.5 Ų36.50%019%0.188CC..EExtended strand (participates in β ladder)trans-98102.7-174.5-56.7-179.2000108.2F359 V361 L439 F443 F452 L456 V488 I497 I498 F499 S500F359-I454 HydrophobicContact CE2-CB 4.5Å; F359-I454 HydrophobicContact CE2-CG1 3.95Å; F359-I454 HydrophobicContact CE2-CG2 4.3Å; F359-I454 HydrophobicContact CZ-CD1 4.44Å; F359-I454 HydrophobicContact CZ-CG1 3.86Å; V361-I454 HydrophobicContact CB-CG2 4.08Å; V361-I454 HydrophobicContact CG2-CG2 3.52Å; L439-I454 HydrophobicContact CD1-CD1 4.47Å; F443-I454 HydrophobicContact CZ-CD1 4.2Å; F452-I454 HydrophobicContact CB-CD1 4.34Å; F452-I454 HydrophobicContact CB-CG1 3.89Å; I454-L456 PolarHBondContact O-N 3.29Å; I454-V488 HydrophobicContact CD1-CG1 4.41Å; I454-V488 HydrophobicContact CD1-CG2 3.71Å; I454-I497 HydrophobicContact CD1-CG2 3.89Å; I454-I497 HydrophobicContact CG1-CG2 4.35Å; I454-I498 PolarHBondContact N-O 3.45Å; I454-F499 HydrophobicContact CB-CD1 3.9Å; I454-F499 HydrophobicContact CB-CE1 4.19Å; I454-F499 HydrophobicContact CD1-CE1 4.21Å; I454-F499 HydrophobicContact CG2-CD1 4.15Å; I454-F499 HydrophobicContact CG2-CE1 4.22Å; I454-F499 CarbonylContact O-C 3.53Å; I454-F499 WeakPolarHBondContact O-CA 3.46Å; I454-S500 PolarHBondContact O-N 3.1Å
455E98.8Very high93.9Very high19 Ų1930.1 Ų30.19%0.08916%0.162CC..EExtended strand (participates in β ladder)trans-73.4118.4172177.7175.1142.900109.3F359 D360 V361 K457 S500 L522F359-E455 PolarHBondContact O-N 2.77Å; D360-E455 CarbonylContact C-O 3.48Å; V361-E455 PolarHBondContact N-O 2.81Å; E455-K457 PolarHBondContact O-N 3.43Å; E455-K457 WeakPolarHBondContact OE1-CD 3.38Å; E455-K457 IonicContact OE1-NZ 3.94Å; E455-K457 PolarHBondContact OE1-NZ 2.98Å; E455-S500 CarbonylContact C-O 3.58Å; E455-S500 WeakPolarHBondContact CA-O 3.36Å; E455-S500 WeakPolarHBondContact CA-OG 3.26Å; E455-L522 HydrophobicContact CG-CD1 3.86Å; E455-L522 WeakPolarHBondContact OE2-CD1 3.18Å
456L98.6Very high93.7Very high1 Ų131.9 Ų31.91%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-81.2101.4174.7-63.5169.2000108.6I454 W458 F480 L481 I484 F499 S500 C501 I506 V510 I519I454-L456 PolarHBondContact O-N 3.29Å; L456-W458 PolarHBondContact O-N 3.1Å; L456-W458 VanDerWaalsContact O-N 3.14Å; L456-F480 HydrophobicContact CB-CE1 4.45Å; L456-L481 HydrophobicContact CD1-CD2 3.8Å; L456-L481 HydrophobicContact CD2-CD2 4.36Å; L456-I484 HydrophobicContact CD2-CB 4.46Å; L456-I484 HydrophobicContact CD2-CD1 4.13Å; L456-I484 HydrophobicContact CD2-CG2 3.73Å; L456-F499 HydrophobicContact CD1-CB 4.42Å; L456-F499 HydrophobicContact CD1-CD1 4.17Å; L456-F499 HydrophobicContact CD2-CD1 4.21Å; L456-F499 HydrophobicContact CD2-CE1 4.45Å; L456-F499 HydrophobicContact CG-CD1 4.19Å; L456-S500 PolarHBondContact N-O 3.24Å; L456-C501 HydrophobicContact CB-CB 4.19Å; L456-C501 PolarHBondContact O-SG 3.44Å; L456-I506 HydrophobicContact CB-CG2 4.1Å; L456-I506 HydrophobicContact CD1-CG2 3.71Å; L456-V510 HydrophobicContact CD1-CG2 3.54Å; L456-I519 HydrophobicContact CD1-CD1 4.35Å
457K96.3Very high93.5Very high27 Ų2736.1 Ų36.112%0.11719%0.186CC..  trans-76.3107-173.1-161.763.4159.2-143.40111.4D360 V361 H362 H373 L375 E455D360-K457 IonicContact OD1-NZ 3.55Å; D360-K457 PolarHBondContact OD1-NZ 3.04Å; V361-K457 PolarHBondContact O-N 3.03Å; H362-K457 HydrophobicContact CB-CB 4.11Å; H373-K457 PolarHBondContact CD2-NZ 3.18Å; H373-K457 PolarHBondContact NE2-NZ 2.63Å; H373-K457 VanDerWaalsContact NE2-NZ 3.12Å; H373-K457 WeakPolarHBondContact O-CE 3.28Å; L375-K457 HydrophobicContact CD2-CG 4.28Å; E455-K457 PolarHBondContact O-N 3.43Å; E455-K457 WeakPolarHBondContact OE1-CD 3.38Å; E455-K457 IonicContact OE1-NZ 3.94Å; E455-K457 PolarHBondContact OE1-NZ 2.98Å
458W95.5Very high93.3Very high26 Ų2635.6 Ų35.610%0.09818%0.179CC..  trans-123151-179.5-164.6-99.8000111.5L456 Y474 F475 M477 F480 D503 I506L456-W458 PolarHBondContact O-N 3.1Å; L456-W458 VanDerWaalsContact O-N 3.14Å; W458-Y474 HydrophobicContact CD2-CD1 4.15Å; W458-Y474 AromaticContact CE3-CD1 3.7Å; W458-Y474 HydrophobicContact CE3-CD1 3.7Å; W458-Y474 AromaticContact CE3-CE1 3.95Å; W458-Y474 HydrophobicContact CE3-CE1 3.95Å; W458-Y474 AromaticContact CH2-CD1 3.97Å; W458-Y474 HydrophobicContact CH2-CD1 3.97Å; W458-Y474 HydrophobicContact CZ2-CD1 4.36Å; W458-Y474 AromaticContact CZ3-CD1 3.61Å; W458-Y474 HydrophobicContact CZ3-CD1 3.61Å; W458-Y474 HydrophobicContact CZ3-CE1 4.1Å; W458-F475 VanDerWaalsContact CH2-O 3.23Å; W458-F475 WeakPolarHBondContact CH2-O 3.46Å; W458-F475 HydrophobicContact CZ3-CB 4.5Å; W458-M477 HydrophobicContact CH2-CB 4.12Å; W458-M477 HydrophobicContact CH2-CG 3.34Å; W458-M477 HydrophobicContact CZ2-CB 4.42Å; W458-M477 HydrophobicContact CZ2-CE 3.62Å; W458-M477 HydrophobicContact CZ2-CG 3.2Å; W458-M477 HydrophobicContact CZ2-SD 4.23Å; W458-M477 HydrophobicContact CZ3-CG 4.18Å; W458-M477 VanDerWaalsContact NE1-CE 3.3Å; W458-F480 AromaticContact CE3-CD1 3.81Å; W458-F480 HydrophobicContact CE3-CD1 3.81Å; W458-F480 HydrophobicContact CE3-CD2 4.41Å; W458-F480 AromaticContact CE3-CE1 3.92Å; W458-F480 HydrophobicContact CE3-CE1 3.92Å; W458-F480 HydrophobicContact CE3-CE2 4.5Å; W458-F480 HydrophobicContact CE3-CG 4.08Å; W458-F480 HydrophobicContact CE3-CZ 4.27Å; W458-F480 HydrophobicContact CZ3-CB 3.82Å; W458-F480 AromaticContact CZ3-CD1 3.73Å; W458-F480 HydrophobicContact CZ3-CD1 3.73Å; W458-F480 HydrophobicContact CZ3-CD2 4.07Å; W458-F480 HydrophobicContact CZ3-CE1 4.29Å; W458-F480 AromaticContact CZ3-CG 3.61Å; W458-F480 HydrophobicContact CZ3-CG 3.61Å; W458-D503 HydrophobicContact CB-CB 4.08Å; W458-D503 VanDerWaalsContact CD1-OD2 3.25Å; W458-D503 HydrophobicContact CG-CB 4.13Å; W458-I506 HydrophobicContact CB-CG1 4.21Å; W458-I506 HydrophobicContact CD2-CD1 4.05Å; W458-I506 HydrophobicContact CD2-CG1 4.06Å; W458-I506 HydrophobicContact CE3-CD1 3.97Å; W458-I506 HydrophobicContact CE3-CG1 4.4Å; W458-I506 HydrophobicContact CG-CD1 4.46Å; W458-I506 HydrophobicContact CG-CG1 3.95Å; W458-I506 HydrophobicContact CZ3-CD1 4.35Å
459I93.3Very high92.8Very high10 Ų1032.3 Ų32.35%0.05117%0.172CC..  trans-76.4137.8-179.963.4164.6000110.9L375 W467 L471 Y474L375-I459 HydrophobicContact CD1-CG2 3.72Å; L375-I459 HydrophobicContact CD2-CG2 3.89Å; L375-I459 HydrophobicContact CG-CG2 4.44Å; I459-W467 HydrophobicContact CD1-CE3 3.8Å; I459-W467 HydrophobicContact CD1-CZ3 4.02Å; I459-W467 HydrophobicContact CG1-CE3 4.19Å; I459-W467 HydrophobicContact CG1-CZ3 4.22Å; I459-L471 HydrophobicContact CG2-CB 4.46Å; I459-L471 HydrophobicContact CG2-CD1 4.05Å; I459-Y474 HydrophobicContact CG1-CG 4.35Å; I459-Y474 HydrophobicContact CG2-CD1 4.38Å; I459-Y474 HydrophobicContact CG2-CD2 3.85Å; I459-Y474 HydrophobicContact CG2-CE2 4.31Å; I459-Y474 HydrophobicContact CG2-CG 3.94Å
460S91.9Very high92.5Very high16 Ų1637.1 Ų37.111%0.11220%0.195CC..  trans-116.2154.3172.8-58.70000111.6D468S460-D468 WeakPolarHBondContact CA-OD2 3.44Å; S460-D468 VanDerWaalsContact CB-OD2 3.29Å; S460-D468 WeakPolarHBondContact CB-OD2 3.47Å; S460-D468 PolarHBondContact N-OD2 3.5Å; S460-D468 PolarHBondContact O-N 2.71Å
461Q90.6Very high92.1Very high51 Ų5137.6 Ų37.624%0.23820%0.197CC..BIsolated β-bridgetrans-100131.5172.4-176.7168.372.600109.9G465 W467 M534Q461-G465 PolarHBondContact NE2-O 3.24Å; Q461-W467 HydrophobicContact CB-CD2 3.87Å; Q461-W467 HydrophobicContact CB-CE3 3.74Å; Q461-W467 HydrophobicContact CB-CH2 3.81Å; Q461-W467 HydrophobicContact CB-CZ2 3.94Å; Q461-W467 HydrophobicContact CB-CZ3 3.71Å; Q461-W467 HydrophobicContact CG-CD2 4.25Å; Q461-W467 HydrophobicContact CG-CZ2 4.28Å; Q461-W467 VanDerWaalsContact NE2-CE2 3.26Å; Q461-M534 HydrophobicContact CB-CB 4.15Å; Q461-M534 HydrophobicContact CG-CB 4.09Å; Q461-M534 VanDerWaalsContact O-CB 3.23Å; Q461-M534 WeakPolarHBondContact O-CB 3.26Å; Q461-M534 PolarHBondContact O-N 3.01Å
462M91Very high91.3Very high17 Ų1742.8 Ų42.88%0.08423%0.233CC..BIsolated β-bridgetrans-78.9161.7173.7-55.2-54.6161.200111D464 G465 T466 D468 P531 E532 L533M462-D464 VanDerWaalsContact C-N 3.28Å; M462-D464 WeakPolarHBondContact CB-OD1 3.11Å; M462-D464 PolarHBondContact O-N 3.48Å; M462-G465 WeakPolarHBondContact O-CA 3.48Å; M462-G465 PolarHBondContact O-N 2.83Å; M462-T466 PolarHBondContact N-O 3.02Å; M462-D468 WeakPolarHBondContact CE-OD1 3.34Å; M462-P531 HydrophobicContact CE-CG 4.17Å; M462-P531 HydrophobicContact CG-CB 4.44Å; M462-P531 HydrophobicContact CG-CG 4.24Å; M462-P531 HydrophobicContact SD-CB 4.02Å; M462-P531 HydrophobicContact SD-CG 3.57Å; M462-P531 VanDerWaalsContact SD-CG 3.57Å; M462-E532 CarbonylContact C-O 3.54Å; M462-L533 HydrophobicContact CE-CD2 4.1Å; M462-L533 HydrophobicContact SD-CD2 3.78Å
463K88.2Confident90.8Very high105 Ų10546 Ų4646%0.45726%0.256SS..THydrogen-bonded Turntrans-64.3-28.2-177.2-171.5168.5-179.7173.30114.3G465 E532 M534K463-G465 PolarHBondContact O-N 2.96Å; K463-E532 HydrophobicContact CB-CB 4.27Å; K463-E532 WeakPolarHBondContact CB-O 3.31Å; K463-E532 HydrophobicContact CD-CB 4.23Å; K463-E532 HydrophobicContact CD-CG 4.03Å; K463-E532 WeakPolarHBondContact CD-OE1 3.39Å; K463-E532 WeakPolarHBondContact CD-OE2 3.41Å; K463-E532 WeakPolarHBondContact CE-OE2 3.23Å; K463-E532 PolarHBondContact N-O 3.46Å; K463-E532 IonicContact NZ-OE1 3.84Å; K463-E532 PolarHBondContact NZ-OE1 3.33Å; K463-E532 IonicContact NZ-OE2 2.96Å; K463-E532 PolarHBondContact NZ-OE2 2.82Å; K463-M534 VanDerWaalsContact O-CE 3.3Å; K463-M534 WeakPolarHBondContact O-CE 3.17Å
464D87.5Confident90.5Very high109 Ų10947.6 Ų47.658%0.58326%0.262SS*.THydrogen-bonded Turntrans-73.3-10.7169.867.41.1000112.7K139 M462 T466K139-D464 WeakPolarHBondContact CE-O 3.25Å; K139-D464 PolarHBondContact NZ-O 2.54Å; M462-D464 VanDerWaalsContact C-N 3.28Å; M462-D464 WeakPolarHBondContact CB-OD1 3.11Å; M462-D464 PolarHBondContact O-N 3.48Å; D464-T466 PolarHBondContact OD1-N 3.48Å; D464-T466 PolarHBondContact OD1-OG1 3.41Å
465G87.2Confident90.2Very high13 Ų1349.7 Ų49.713%0.13427%0.272CS..  trans78.122.3179.600000115.4K139 Q461 M462 K463K139-G465 VanDerWaalsContact NZ-CA 3.32Å; Q461-G465 PolarHBondContact NE2-O 3.24Å; M462-G465 WeakPolarHBondContact O-CA 3.48Å; M462-G465 PolarHBondContact O-N 2.83Å; K463-G465 PolarHBondContact O-N 2.96Å
466T90Very high90Very high67 Ų6750.9 Ų50.941%0.41128%0.278SS..  trans-69.1153.415762.30000109.9M462 D464M462-T466 PolarHBondContact N-O 3.02Å; D464-T466 PolarHBondContact OD1-N 3.48Å; D464-T466 PolarHBondContact OD1-OG1 3.41Å
467W90.8Very high89.9Confident94 Ų9451.3 Ų51.336%0.35628%0.281SS..BIsolated β-bridgetrans-109.8149.5176.1-72.395.2000110.1I459 Q461 N470 L471I459-W467 HydrophobicContact CD1-CE3 3.8Å; I459-W467 HydrophobicContact CD1-CZ3 4.02Å; I459-W467 HydrophobicContact CG1-CE3 4.19Å; I459-W467 HydrophobicContact CG1-CZ3 4.22Å; Q461-W467 HydrophobicContact CB-CD2 3.87Å; Q461-W467 HydrophobicContact CB-CE3 3.74Å; Q461-W467 HydrophobicContact CB-CH2 3.81Å; Q461-W467 HydrophobicContact CB-CZ2 3.94Å; Q461-W467 HydrophobicContact CB-CZ3 3.71Å; Q461-W467 HydrophobicContact CG-CD2 4.25Å; Q461-W467 HydrophobicContact CG-CZ2 4.28Å; Q461-W467 VanDerWaalsContact NE2-CE2 3.26Å; W467-N470 WeakPolarHBondContact O-CA 3.33Å; W467-N470 PolarHBondContact O-N 3.44Å; W467-L471 WeakPolarHBondContact CB-O 3.4Å
468D88.2Confident89.9Confident49 Ų4950.3 Ų50.326%0.26228%0.276SS..G310 helixtrans-53.5139.8173.4-73.1-39.2000112.4L375 S460 M462 N470 L471L375-D468 HydrophobicContact CD1-CB 3.45Å; L375-D468 VanDerWaalsContact CD1-CB 3.45Å; S460-D468 WeakPolarHBondContact CA-OD2 3.44Å; S460-D468 VanDerWaalsContact CB-OD2 3.29Å; S460-D468 WeakPolarHBondContact CB-OD2 3.47Å; S460-D468 PolarHBondContact N-OD2 3.5Å; S460-D468 PolarHBondContact O-N 2.71Å; M462-D468 WeakPolarHBondContact CE-OD1 3.34Å; D468-N470 PolarHBondContact O-N 2.87Å; D468-L471 PolarHBondContact O-N 3.18Å
469G81.8Confident89.9Confident31 Ų3152.5 Ų52.532%0.3229%0.293SS..G310 helixtrans58.915.9-176.700000114.2L471G469-L471 PolarHBondContact O-N 2.91Å
470N84.6Confident90.1Very high142 Ų14252 Ų5276%0.75929%0.29SS*.G310 helixtrans54.127.8-169.6-63-57.8000113.6W467 D468W467-N470 WeakPolarHBondContact O-CA 3.33Å; W467-N470 PolarHBondContact O-N 3.44Å; D468-N470 PolarHBondContact O-N 2.87Å
471L86.7Confident90.4Very high13 Ų1351.2 Ų51.27%0.06829%0.285CS..  trans-86117.8-178.6-59.2-175.7000110.7L375 P395 I459 W467 D468 G469 S473 Y474L375-L471 HydrophobicContact CB-CD1 3.93Å; L375-L471 HydrophobicContact CD1-CD1 4.36Å; L375-L471 HydrophobicContact CD2-CD1 4.44Å; L375-L471 HydrophobicContact CG-CD1 4.49Å; P395-L471 HydrophobicContact CB-CD2 3.76Å; P395-L471 HydrophobicContact CG-CD2 3.6Å; I459-L471 HydrophobicContact CG2-CB 4.46Å; I459-L471 HydrophobicContact CG2-CD1 4.05Å; W467-L471 WeakPolarHBondContact CB-O 3.4Å; D468-L471 PolarHBondContact O-N 3.18Å; G469-L471 PolarHBondContact O-N 2.91Å; L471-S473 VanDerWaalsContact C-N 3.33Å; L471-Y474 HydrophobicContact CD1-CD2 4.08Å; L471-Y474 HydrophobicContact CD1-CE2 4.22Å
472S80.7Confident90.8Very high108 Ų10850.2 Ų50.276%0.75528%0.281SS*.SBendtrans-81.3-12.617660.30000114.1
473S87.1Confident91.1Very high69 Ų6951.4 Ų51.448%0.48329%0.288SS..  trans-153.9156.2177.162.40000110.7K397 L471K397-S473 WeakPolarHBondContact CE-O 3.33Å; L471-S473 VanDerWaalsContact C-N 3.33Å
474Y92.2Very high91.6Very high32 Ų3246.4 Ų46.413%0.12527%0.266CS..  trans-134-156.8177.2-153-127.1000110.3H362 L375 K397 W458 I459 L471 F480H362-Y474 VanDerWaalsContact CB-OH 3.3Å; H362-Y474 WeakPolarHBondContact CB-OH 3.28Å; H362-Y474 PolarHBondContact ND1-OH 3Å; H362-Y474 VanDerWaalsContact ND1-OH 3.09Å; L375-Y474 HydrophobicContact CD2-CE2 4.09Å; K397-Y474 HydrophobicContact CB-CD2 4.49Å; K397-Y474 HydrophobicContact CB-CE2 3.98Å; K397-Y474 HydrophobicContact CD-CD2 3.65Å; K397-Y474 HydrophobicContact CD-CE2 3.93Å; K397-Y474 HydrophobicContact CG-CD2 4.48Å; K397-Y474 HydrophobicContact CG-CE2 4.28Å; W458-Y474 HydrophobicContact CD2-CD1 4.15Å; W458-Y474 AromaticContact CE3-CD1 3.7Å; W458-Y474 HydrophobicContact CE3-CD1 3.7Å; W458-Y474 AromaticContact CE3-CE1 3.95Å; W458-Y474 HydrophobicContact CE3-CE1 3.95Å; W458-Y474 AromaticContact CH2-CD1 3.97Å; W458-Y474 HydrophobicContact CH2-CD1 3.97Å; W458-Y474 HydrophobicContact CZ2-CD1 4.36Å; W458-Y474 AromaticContact CZ3-CD1 3.61Å; W458-Y474 HydrophobicContact CZ3-CD1 3.61Å; W458-Y474 HydrophobicContact CZ3-CE1 4.1Å; I459-Y474 HydrophobicContact CG1-CG 4.35Å; I459-Y474 HydrophobicContact CG2-CD1 4.38Å; I459-Y474 HydrophobicContact CG2-CD2 3.85Å; I459-Y474 HydrophobicContact CG2-CE2 4.31Å; I459-Y474 HydrophobicContact CG2-CG 3.94Å; L471-Y474 HydrophobicContact CD1-CD2 4.08Å; L471-Y474 HydrophobicContact CD1-CE2 4.22Å; Y474-F480 HydrophobicContact CE1-CE2 4.25Å
475F93.9Very high92.1Very high45 Ų4541.3 Ų41.320%0.19724%0.238CC..  trans-70.9167.9175.6-62.8-77.2000112.3L363 K397 W458 F480L363-F475 HydrophobicContact CB-CD2 4.38Å; L363-F475 HydrophobicContact CB-CE1 4.35Å; L363-F475 HydrophobicContact CB-CE2 3.85Å; L363-F475 HydrophobicContact CB-CZ 3.81Å; L363-F475 WeakPolarHBondContact O-CE2 3.28Å; L363-F475 WeakPolarHBondContact O-CZ 3.41Å; K397-F475 HydrophobicContact CB-CD2 4.47Å; K397-F475 HydrophobicContact CB-CE1 4.38Å; K397-F475 HydrophobicContact CB-CE2 3.46Å; K397-F475 VanDerWaalsContact CB-CE2 3.46Å; K397-F475 HydrophobicContact CB-CZ 3.41Å; K397-F475 VanDerWaalsContact CB-CZ 3.41Å; W458-F475 VanDerWaalsContact CH2-O 3.23Å; W458-F475 WeakPolarHBondContact CH2-O 3.46Å; W458-F475 HydrophobicContact CZ3-CB 4.5Å; F475-F480 HydrophobicContact CB-CB 4.19Å; F475-F480 HydrophobicContact CB-CD2 4.49Å; F475-F480 HydrophobicContact CD2-CD2 4.17Å
476N94.6Very high92.6Very high43 Ų4342.6 Ų42.623%0.2324%0.244CC..  trans-70.8130.5162.1173.2-65.6000108.8D269 N478 T479 F480D269-N476 PolarHBondContact OD2-ND2 3.21Å; D269-N476 PolarHBondContact OD2-OD1 3.45Å; N476-N478 PolarHBondContact O-N 3.04Å; N476-N478 WeakPolarHBondContact OD1-CA 3.23Å; N476-N478 WeakPolarHBondContact OD1-CB 3.36Å; N476-N478 PolarHBondContact OD1-N 3.43Å; N476-T479 PolarHBondContact O-N 3.44Å; N476-T479 PolarHBondContact OD1-N 3.21Å; N476-T479 VanDerWaalsContact OD1-N 3.09Å; N476-F480 WeakPolarHBondContact O-CB 3.47Å; N476-F480 PolarHBondContact O-N 3.28Å
477M96.1Very high93Very high10 Ų1040.2 Ų40.25%0.04923%0.23CC..Hα-helixtrans-61.1-38.3-176.1-71.5174.9160.700113.5L294 W458 L481 D505 I506 M509L294-M477 HydrophobicContact CD1-SD 3.78Å; W458-M477 HydrophobicContact CH2-CB 4.12Å; W458-M477 HydrophobicContact CH2-CG 3.34Å; W458-M477 HydrophobicContact CZ2-CB 4.42Å; W458-M477 HydrophobicContact CZ2-CE 3.62Å; W458-M477 HydrophobicContact CZ2-CG 3.2Å; W458-M477 HydrophobicContact CZ2-SD 4.23Å; W458-M477 HydrophobicContact CZ3-CG 4.18Å; W458-M477 VanDerWaalsContact NE1-CE 3.3Å; M477-L481 WeakPolarHBondContact O-CB 3.49Å; M477-L481 WeakPolarHBondContact O-CG 3.23Å; M477-L481 PolarHBondContact O-N 2.78Å; M477-D505 HydrophobicContact CE-CB 4.22Å; M477-D505 HydrophobicContact SD-CB 4.37Å; M477-I506 HydrophobicContact CB-CD1 4.28Å; M477-I506 HydrophobicContact CG-CD1 4.06Å; M477-M509 HydrophobicContact CB-CE 3.75Å; M477-M509 HydrophobicContact CB-SD 3.73Å; M477-M509 HydrophobicContact CG-SD 4.47Å; M477-M509 HydrophobicContact SD-SD 4.17Å
478N96.6Very high93.3Very high6 Ų635.8 Ų35.83%0.03221%0.213CC..Hα-helixtrans-64.2-52176-74.7-69.2000110.2D269 V295 R297 N476 F480 L481 D482 M509 K513D269-N478 WeakPolarHBondContact CB-ND2 3.35Å; D269-N478 PolarHBondContact OD2-ND2 3.48Å; V295-N478 PolarHBondContact O-ND2 3.24Å; R297-N478 PolarHBondContact N-OD1 3.15Å; N476-N478 PolarHBondContact O-N 3.04Å; N476-N478 WeakPolarHBondContact OD1-CA 3.23Å; N476-N478 WeakPolarHBondContact OD1-CB 3.36Å; N476-N478 PolarHBondContact OD1-N 3.43Å; N478-F480 VanDerWaalsContact C-N 3.32Å; N478-F480 PolarHBondContact O-N 3.04Å; N478-L481 PolarHBondContact O-N 2.92Å; N478-D482 VanDerWaalsContact O-CB 3.25Å; N478-D482 WeakPolarHBondContact O-CB 3.28Å; N478-D482 PolarHBondContact O-N 3.3Å; N478-D482 VanDerWaalsContact O-OD1 3.12Å; N478-M509 HydrophobicContact CB-CE 4.49Å; N478-M509 WeakPolarHBondContact OD1-CE 3.48Å; N478-K513 VanDerWaalsContact OD1-CE 3.27Å; N478-K513 WeakPolarHBondContact OD1-CE 3.29Å; N478-K513 PolarHBondContact OD1-NZ 3.47Å
479T95.9Very high93.7Very high72 Ų7235.1 Ų35.144%0.44221%0.209SC..Hα-helixtrans-58.3-46.1179.6-53.60000111.4N476 L481 D482 I483N476-T479 PolarHBondContact O-N 3.44Å; N476-T479 PolarHBondContact OD1-N 3.21Å; N476-T479 VanDerWaalsContact OD1-N 3.09Å; T479-L481 PolarHBondContact O-N 3.13Å; T479-D482 PolarHBondContact O-N 3.36Å; T479-I483 HydrophobicContact CG2-CD1 3.76Å; T479-I483 VanDerWaalsContact O-CD1 3.29Å; T479-I483 WeakPolarHBondContact O-CD1 3.37Å; T479-I483 VanDerWaalsContact O-CG1 3.25Å; T479-I483 WeakPolarHBondContact O-CG1 3.2Å; T479-I483 PolarHBondContact O-N 3.4Å
480F97.3Very high94.4Very high0 Ų039.3 Ų39.30%022%0.224CC..Hα-helixtrans-55.8-52.3178.7176.6-97.3000112.3H362 L363 L456 W458 Y474 F475 N476 N478 I484 I506H362-F480 HydrophobicContact CB-CE2 4.03Å; H362-F480 HydrophobicContact CB-CZ 4.42Å; L363-F480 HydrophobicContact CB-CD2 4.48Å; L363-F480 HydrophobicContact CD1-CB 4.41Å; L363-F480 HydrophobicContact CD1-CD2 3.84Å; L363-F480 HydrophobicContact CD1-CG 4.48Å; L363-F480 HydrophobicContact CG-CD2 3.74Å; L363-F480 HydrophobicContact CG-CE2 4.07Å; L456-F480 HydrophobicContact CB-CE1 4.45Å; W458-F480 AromaticContact CE3-CD1 3.81Å; W458-F480 HydrophobicContact CE3-CD1 3.81Å; W458-F480 HydrophobicContact CE3-CD2 4.41Å; W458-F480 AromaticContact CE3-CE1 3.92Å; W458-F480 HydrophobicContact CE3-CE1 3.92Å; W458-F480 HydrophobicContact CE3-CE2 4.5Å; W458-F480 HydrophobicContact CE3-CG 4.08Å; W458-F480 HydrophobicContact CE3-CZ 4.27Å; W458-F480 HydrophobicContact CZ3-CB 3.82Å; W458-F480 AromaticContact CZ3-CD1 3.73Å; W458-F480 HydrophobicContact CZ3-CD1 3.73Å; W458-F480 HydrophobicContact CZ3-CD2 4.07Å; W458-F480 HydrophobicContact CZ3-CE1 4.29Å; W458-F480 AromaticContact CZ3-CG 3.61Å; W458-F480 HydrophobicContact CZ3-CG 3.61Å; Y474-F480 HydrophobicContact CE1-CE2 4.25Å; F475-F480 HydrophobicContact CB-CB 4.19Å; F475-F480 HydrophobicContact CB-CD2 4.49Å; F475-F480 HydrophobicContact CD2-CD2 4.17Å; N476-F480 WeakPolarHBondContact O-CB 3.47Å; N476-F480 PolarHBondContact O-N 3.28Å; N478-F480 VanDerWaalsContact C-N 3.32Å; N478-F480 PolarHBondContact O-N 3.04Å; F480-I484 HydrophobicContact CD1-CD1 4.13Å; F480-I484 HydrophobicContact CD2-CD1 4.13Å; F480-I484 HydrophobicContact CE1-CD1 3.66Å; F480-I484 HydrophobicContact CE2-CD1 3.66Å; F480-I484 HydrophobicContact CG-CD1 4.34Å; F480-I484 HydrophobicContact CZ-CD1 3.4Å; F480-I484 WeakPolarHBondContact O-CG1 3.33Å; F480-I484 PolarHBondContact O-N 2.93Å; F480-I506 HydrophobicContact CD1-CD1 4.41Å
481L97.7Very high95Very high0 Ų035.6 Ų35.60%020%0.204CC..Hα-helixtrans-72.1-39.7-178.4-70.9179.7000112.8L456 M477 N478 T479 I483 I484 L485 I506 M509 V510 K513L456-L481 HydrophobicContact CD1-CD2 3.8Å; L456-L481 HydrophobicContact CD2-CD2 4.36Å; M477-L481 WeakPolarHBondContact O-CB 3.49Å; M477-L481 WeakPolarHBondContact O-CG 3.23Å; M477-L481 PolarHBondContact O-N 2.78Å; N478-L481 PolarHBondContact O-N 2.92Å; T479-L481 PolarHBondContact O-N 3.13Å; L481-I483 VanDerWaalsContact C-N 3.26Å; L481-I483 PolarHBondContact O-N 2.97Å; L481-I484 PolarHBondContact O-N 3.11Å; L481-L485 HydrophobicContact CB-CD1 4.28Å; L481-L485 WeakPolarHBondContact O-CB 3.48Å; L481-L485 WeakPolarHBondContact O-CG 3.4Å; L481-L485 PolarHBondContact O-N 2.67Å; L481-I506 HydrophobicContact CD1-CD1 3.77Å; L481-I506 HydrophobicContact CD1-CG2 4.31Å; L481-I506 HydrophobicContact CD2-CD1 4.19Å; L481-I506 HydrophobicContact CD2-CG2 3.94Å; L481-I506 HydrophobicContact CG-CD1 3.94Å; L481-M509 HydrophobicContact CD1-CB 3.35Å; L481-M509 HydrophobicContact CD1-CE 4.07Å; L481-M509 HydrophobicContact CD1-CG 4.26Å; L481-M509 HydrophobicContact CD1-SD 4.02Å; L481-V510 HydrophobicContact CD1-CG2 4.34Å; L481-V510 HydrophobicContact CD2-CG2 4.07Å; L481-K513 HydrophobicContact CB-CD 4.16Å; L481-K513 HydrophobicContact CD1-CD 4.44Å
482D97.9Very high95.4Very high29 Ų2935.1 Ų35.116%0.15520%0.202CC..Hα-helixtrans-58.7-42-179.6-72.45.4000110.7I299 N478 T479 T486 K513I299-D482 HydrophobicContact CG2-CB 4.21Å; N478-D482 VanDerWaalsContact O-CB 3.25Å; N478-D482 WeakPolarHBondContact O-CB 3.28Å; N478-D482 PolarHBondContact O-N 3.3Å; N478-D482 VanDerWaalsContact O-OD1 3.12Å; T479-D482 PolarHBondContact O-N 3.36Å; D482-T486 WeakPolarHBondContact O-CB 3.49Å; D482-T486 PolarHBondContact O-N 2.81Å; D482-T486 PolarHBondContact O-OG1 2.92Å; D482-K513 IonicContact OD1-NZ 2.81Å; D482-K513 PolarHBondContact OD1-NZ 3.09Å; D482-K513 IonicContact OD2-NZ 3.74Å
483I98.2Very high96Very high43 Ų4332 Ų3222%0.22119%0.187CC..Hα-helixtrans-64.8-51.3177.9-66160.9000110.9L363 S367 P369 T479 L481 T486 C487L363-I483 HydrophobicContact CD1-CB 4.4Å; L363-I483 HydrophobicContact CD1-CD1 3.63Å; L363-I483 HydrophobicContact CD2-CB 4.38Å; L363-I483 HydrophobicContact CD2-CG2 3.83Å; S367-I483 WeakPolarHBondContact O-CG2 3.16Å; P369-I483 HydrophobicContact CG-CG2 3.76Å; T479-I483 HydrophobicContact CG2-CD1 3.76Å; T479-I483 VanDerWaalsContact O-CD1 3.29Å; T479-I483 WeakPolarHBondContact O-CD1 3.37Å; T479-I483 VanDerWaalsContact O-CG1 3.25Å; T479-I483 WeakPolarHBondContact O-CG1 3.2Å; T479-I483 PolarHBondContact O-N 3.4Å; L481-I483 VanDerWaalsContact C-N 3.26Å; L481-I483 PolarHBondContact O-N 2.97Å; I483-T486 PolarHBondContact O-N 2.8Å; I483-C487 WeakPolarHBondContact O-CB 3.47Å; I483-C487 PolarHBondContact O-N 3.26Å
484I98.6Very high96.2Very high0 Ų037.8 Ų37.80%020%0.203CC..Hα-helixtrans-68.3-47.4-175.5-64.6169.5000110.8V361 L363 P369 L439 L456 F480 L481 T486 C487 V488V361-I484 HydrophobicContact CG1-CD1 3.95Å; V361-I484 HydrophobicContact CG1-CG1 4.18Å; V361-I484 HydrophobicContact CG1-CG2 4.26Å; L363-I484 HydrophobicContact CD2-CD1 4.3Å; L363-I484 HydrophobicContact CD2-CG1 3.94Å; P369-I484 HydrophobicContact CB-CG1 4.37Å; P369-I484 HydrophobicContact CG-CG1 4.33Å; L439-I484 HydrophobicContact CD2-CG2 4.27Å; L456-I484 HydrophobicContact CD2-CB 4.46Å; L456-I484 HydrophobicContact CD2-CD1 4.13Å; L456-I484 HydrophobicContact CD2-CG2 3.73Å; F480-I484 HydrophobicContact CD1-CD1 4.13Å; F480-I484 HydrophobicContact CD2-CD1 4.13Å; F480-I484 HydrophobicContact CE1-CD1 3.66Å; F480-I484 HydrophobicContact CE2-CD1 3.66Å; F480-I484 HydrophobicContact CG-CD1 4.34Å; F480-I484 HydrophobicContact CZ-CD1 3.4Å; F480-I484 WeakPolarHBondContact O-CG1 3.33Å; F480-I484 PolarHBondContact O-N 2.93Å; L481-I484 PolarHBondContact O-N 3.11Å; I484-T486 VanDerWaalsContact C-N 3.31Å; I484-T486 PolarHBondContact O-N 3.32Å; I484-C487 WeakPolarHBondContact O-CB 3.5Å; I484-C487 PolarHBondContact O-N 3.34Å; I484-C487 VanDerWaalsContact O-N 3.17Å; I484-V488 HydrophobicContact CG2-CG2 4.43Å; I484-V488 WeakPolarHBondContact O-CG2 3.42Å; I484-V488 PolarHBondContact O-N 2.78Å
485L98.3Very high96.4Very high1 Ų136.7 Ų36.71%0.00520%0.199CC..Hα-helixtrans-61.6-39.9178.4-66.5179.1000111.3I299 L481 V488 L489 F499 V510 K513 Q514I299-L485 HydrophobicContact CD1-CB 3.83Å; I299-L485 HydrophobicContact CD1-CD1 3.95Å; L481-L485 HydrophobicContact CB-CD1 4.28Å; L481-L485 WeakPolarHBondContact O-CB 3.48Å; L481-L485 WeakPolarHBondContact O-CG 3.4Å; L481-L485 PolarHBondContact O-N 2.67Å; L485-V488 PolarHBondContact O-N 3.42Å; L485-L489 VanDerWaalsContact O-CB 3.3Å; L485-L489 WeakPolarHBondContact O-CB 3.31Å; L485-L489 WeakPolarHBondContact O-CD1 3.42Å; L485-L489 VanDerWaalsContact O-CG 3.27Å; L485-L489 WeakPolarHBondContact O-CG 3.42Å; L485-L489 PolarHBondContact O-N 2.76Å; L485-F499 HydrophobicContact CD2-CD2 4.43Å; L485-F499 HydrophobicContact CD2-CE1 4.08Å; L485-F499 HydrophobicContact CD2-CE2 3.66Å; L485-F499 HydrophobicContact CD2-CZ 3.45Å; L485-F499 VanDerWaalsContact CD2-CZ 3.45Å; L485-V510 HydrophobicContact CD2-CG1 4.44Å; L485-V510 HydrophobicContact CD2-CG2 4.44Å; L485-K513 HydrophobicContact CD1-CB 3.82Å; L485-K513 HydrophobicContact CD1-CD 4.21Å; L485-Q514 HydrophobicContact CD1-CG 4.36Å; L485-Q514 HydrophobicContact CD2-CG 4.36Å
486T97.8Very high96.5Very high40 Ų4039.3 Ų39.325%0.24521%0.207CC..Hα-helixtrans-62.3-45.7174.2-61.50000111.3L302 D482 I483 I484 V488 L489 L490L302-T486 HydrophobicContact CD2-CG2 4.43Å; D482-T486 WeakPolarHBondContact O-CB 3.49Å; D482-T486 PolarHBondContact O-N 2.81Å; D482-T486 PolarHBondContact O-OG1 2.92Å; I483-T486 PolarHBondContact O-N 2.8Å; I484-T486 VanDerWaalsContact C-N 3.31Å; I484-T486 PolarHBondContact O-N 3.32Å; T486-V488 VanDerWaalsContact C-N 3.34Å; T486-V488 PolarHBondContact O-N 2.99Å; T486-L489 PolarHBondContact O-N 2.82Å; T486-L490 HydrophobicContact CG2-CD1 3.69Å; T486-L490 HydrophobicContact CG2-CG 4.36Å; T486-L490 WeakPolarHBondContact O-CB 3.33Å; T486-L490 VanDerWaalsContact O-CG 3.28Å; T486-L490 WeakPolarHBondContact O-CG 3.43Å; T486-L490 PolarHBondContact O-N 3.49Å; T486-L490 VanDerWaalsContact O-N 3.13Å
487C98Very high96.7Very high18 Ų1837.5 Ų37.512%0.12220%0.198CC..Hα-helixtrans-57.1-47.6175.9-1770000111.2P369 L439 I483 I484 N491P369-C487 HydrophobicContact CG-CB 4.25Å; L439-C487 HydrophobicContact CD2-CB 4.42Å; I483-C487 WeakPolarHBondContact O-CB 3.47Å; I483-C487 PolarHBondContact O-N 3.26Å; I484-C487 WeakPolarHBondContact O-CB 3.5Å; I484-C487 PolarHBondContact O-N 3.34Å; I484-C487 VanDerWaalsContact O-N 3.17Å; C487-N491 WeakPolarHBondContact O-CB 3.34Å; C487-N491 PolarHBondContact O-N 3.04Å; C487-N491 VanDerWaalsContact O-N 3.09Å; C487-N491 PolarHBondContact O-ND2 2.87Å
488V98.1Very high96.8Very high0 Ų037.3 Ų37.30%020%0.197CC..Hα-helixtrans-66.6-48.2-179.5174.60000112.1L439 F443 I454 I484 L485 T486 L490 N491 A492 I497 F499 Y517L439-V488 HydrophobicContact CD2-CG2 3.77Å; F443-V488 HydrophobicContact CE2-CB 4.49Å; F443-V488 HydrophobicContact CE2-CG2 4.07Å; F443-V488 HydrophobicContact CZ-CB 4.35Å; F443-V488 HydrophobicContact CZ-CG1 4.14Å; F443-V488 HydrophobicContact CZ-CG2 4.09Å; I454-V488 HydrophobicContact CD1-CG1 4.41Å; I454-V488 HydrophobicContact CD1-CG2 3.71Å; I484-V488 HydrophobicContact CG2-CG2 4.43Å; I484-V488 WeakPolarHBondContact O-CG2 3.42Å; I484-V488 PolarHBondContact O-N 2.78Å; L485-V488 PolarHBondContact O-N 3.42Å; T486-V488 VanDerWaalsContact C-N 3.34Å; T486-V488 PolarHBondContact O-N 2.99Å; V488-L490 PolarHBondContact O-N 3.29Å; V488-N491 PolarHBondContact O-N 2.86Å; V488-A492 HydrophobicContact CG1-CB 4.23Å; V488-A492 WeakPolarHBondContact O-CB 2.88Å; V488-A492 PolarHBondContact O-N 2.91Å; V488-I497 HydrophobicContact CG1-CG1 4.3Å; V488-I497 HydrophobicContact CG1-CG2 4.09Å; V488-F499 HydrophobicContact CB-CZ 3.99Å; V488-F499 HydrophobicContact CG1-CE1 4.43Å; V488-F499 HydrophobicContact CG1-CZ 3.75Å; V488-F499 HydrophobicContact CG2-CE1 3.98Å; V488-F499 HydrophobicContact CG2-CZ 3.96Å; V488-Y517 HydrophobicContact CG1-CD2 4Å; V488-Y517 HydrophobicContact CG1-CE2 3.8Å
489L96.4Very high96.9Very high35 Ų3537 Ų3718%0.18320%0.195CC..Hα-helixtrans-63.1-30.8-176.7-74.1165.2000112.5L302 L485 T486 Q514 K516 Y517L302-L489 HydrophobicContact CD2-CB 4.17Å; L302-L489 HydrophobicContact CD2-CD1 3.48Å; L302-L489 VanDerWaalsContact CD2-CD1 3.48Å; L302-L489 HydrophobicContact CD2-CG 4.46Å; L485-L489 VanDerWaalsContact O-CB 3.3Å; L485-L489 WeakPolarHBondContact O-CB 3.31Å; L485-L489 WeakPolarHBondContact O-CD1 3.42Å; L485-L489 VanDerWaalsContact O-CG 3.27Å; L485-L489 WeakPolarHBondContact O-CG 3.42Å; L485-L489 PolarHBondContact O-N 2.76Å; T486-L489 PolarHBondContact O-N 2.82Å; L489-Q514 HydrophobicContact CD1-CB 4.14Å; L489-K516 HydrophobicContact CD2-CB 4.12Å; L489-K516 HydrophobicContact CD2-CD 4.21Å; L489-Y517 HydrophobicContact CD2-CD2 4.08Å; L489-Y517 HydrophobicContact CD2-CE2 3.8Å
490L95.4Very high97Very high120 Ų12033.7 Ų33.763%0.62818%0.175SC*.Hα-helixtrans-84.8-30177.9-65.6176.4000114L302 T486 V488L302-L490 HydrophobicContact CD1-CD2 4.26Å; T486-L490 HydrophobicContact CG2-CD1 3.69Å; T486-L490 HydrophobicContact CG2-CG 4.36Å; T486-L490 WeakPolarHBondContact O-CB 3.33Å; T486-L490 VanDerWaalsContact O-CG 3.28Å; T486-L490 WeakPolarHBondContact O-CG 3.43Å; T486-L490 PolarHBondContact O-N 3.49Å; T486-L490 VanDerWaalsContact O-N 3.13Å; V488-L490 PolarHBondContact O-N 3.29Å
491N96.8Very high97.1Very high64 Ų6433.7 Ų33.734%0.34218%0.175SC..Hα-helixtrans-108.8-14.9-170.8-65-80.9000114.7F443 C487 V488 G493F443-N491 HydrophobicContact CB-CB 3.96Å; F443-N491 HydrophobicContact CD2-CB 3.7Å; F443-N491 HydrophobicContact CE2-CB 4.34Å; F443-N491 HydrophobicContact CG-CB 3.82Å; C487-N491 WeakPolarHBondContact O-CB 3.34Å; C487-N491 PolarHBondContact O-N 3.04Å; C487-N491 VanDerWaalsContact O-N 3.09Å; C487-N491 PolarHBondContact O-ND2 2.87Å; V488-N491 PolarHBondContact O-N 2.86Å; N491-G493 VanDerWaalsContact C-N 3.31Å; N491-G493 PolarHBondContact O-N 2.88Å
492A95.7Very high97.1Very high2 Ų235.7 Ų35.72%0.01718%0.184CC..  trans-71.7-19.7-17500000114.6F443 V488 K494 R495 I497 Y517F443-A492 HydrophobicContact CD1-CB 4.45Å; F443-A492 HydrophobicContact CE1-CB 3.71Å; F443-A492 HydrophobicContact CZ-CB 4.07Å; V488-A492 HydrophobicContact CG1-CB 4.23Å; V488-A492 WeakPolarHBondContact O-CB 2.88Å; V488-A492 PolarHBondContact O-N 2.91Å; A492-K494 PolarHBondContact O-N 3.27Å; A492-R495 WeakPolarHBondContact O-CB 3.29Å; A492-R495 PolarHBondContact O-N 3.14Å; A492-I497 HydrophobicContact CB-CD1 3.99Å; A492-I497 HydrophobicContact CB-CG1 3.8Å; A492-Y517 HydrophobicContact CB-CE2 4.35Å; A492-Y517 WeakPolarHBondContact CB-OH 3.13Å
493G92.9Very high97.1Very high43 Ų4335.3 Ų35.344%0.44318%0.181SC..THydrogen-bonded Turntrans56.5-122.6-178.400000112.5N491N491-G493 VanDerWaalsContact C-N 3.31Å; N491-G493 PolarHBondContact O-N 2.88Å
494K92.6Very high97Very high190 Ų19033.3 Ų33.383%0.82617%0.172SC*.THydrogen-bonded Turntrans-96.6-0.1174.6-60.4178.9-179.2175.80113.1E448 A492E448-K494 WeakPolarHBondContact OE1-CA 3.29Å; E448-K494 WeakPolarHBondContact OE1-CB 3.42Å; E448-K494 PolarHBondContact OE1-N 3.38Å; A492-K494 PolarHBondContact O-N 3.27Å
495R95.6Very high96.9Very high10 Ų1033.9 Ų33.94%0.03818%0.175CC..  trans-56.6140.5179.4-169.8-179.8-59.7-921.8110.9V446 P447 E448 V450 F452 A492 I497V446-R495 PolarHBondContact O-NH2 3.27Å; P447-R495 PolarHBondContact O-NH1 3.31Å; P447-R495 PolarHBondContact O-NH2 3.49Å; E448-R495 HydrophobicContact CG-CB 4.21Å; V450-R495 WeakPolarHBondContact O-CD 3.46Å; V450-R495 VanDerWaalsContact O-CG 3.23Å; V450-R495 WeakPolarHBondContact O-CG 3.37Å; V450-R495 PolarHBondContact O-NH1 3.46Å; F452-R495 VanDerWaalsContact CE1-NH1 3.32Å; F452-R495 VanDerWaalsContact CZ-CZ 3.45Å; A492-R495 WeakPolarHBondContact O-CB 3.29Å; A492-R495 PolarHBondContact O-N 3.14Å; R495-I497 HydrophobicContact CB-CD1 4.15Å; R495-I497 HydrophobicContact CG-CD1 3.89Å; R495-I497 PolarHBondContact O-N 3.3Å
496R96Very high96.9Very high99 Ų9933.9 Ų33.937%0.37417%0.174SC..  trans-73.1120.8170.1-63.6-178.1-176.993-8.9109.3F356 G451 F452F356-R496 HydrophobicContact CE1-CB 3.98Å; F356-R496 HydrophobicContact CZ-CB 4.14Å; G451-R496 CarbonylContact C-O 3.34Å; G451-R496 WeakPolarHBondContact CA-O 3.18Å; F452-R496 PolarHBondContact N-O 2.85Å
497I98.2Very high97Very high6 Ų632 Ų323%0.03116%0.163CC..EExtended strand (participates in β ladder)trans-118.5139.2178.7-50.7-62.1000109.3F443 F452 I454 V488 A492 R495 F499 Y517 P518F443-I497 HydrophobicContact CE1-CD1 3.86Å; F443-I497 HydrophobicContact CZ-CD1 4.21Å; F452-I497 HydrophobicContact CB-CD1 3.89Å; F452-I497 HydrophobicContact CD2-CD1 4.08Å; F452-I497 HydrophobicContact CG-CD1 4.27Å; F452-I497 CarbonylContact O-C 3.57Å; F452-I497 WeakPolarHBondContact O-CA 3.41Å; I454-I497 HydrophobicContact CD1-CG2 3.89Å; I454-I497 HydrophobicContact CG1-CG2 4.35Å; V488-I497 HydrophobicContact CG1-CG1 4.3Å; V488-I497 HydrophobicContact CG1-CG2 4.09Å; A492-I497 HydrophobicContact CB-CD1 3.99Å; A492-I497 HydrophobicContact CB-CG1 3.8Å; R495-I497 HydrophobicContact CB-CD1 4.15Å; R495-I497 HydrophobicContact CG-CD1 3.89Å; R495-I497 PolarHBondContact O-N 3.3Å; I497-F499 HydrophobicContact CG2-CE2 4.45Å; I497-F499 HydrophobicContact CG2-CZ 4.43Å; I497-Y517 HydrophobicContact CB-CD1 3.65Å; I497-Y517 HydrophobicContact CB-CD2 4.25Å; I497-Y517 HydrophobicContact CB-CE1 3.92Å; I497-Y517 HydrophobicContact CB-CE2 4.47Å; I497-Y517 HydrophobicContact CB-CG 3.84Å; I497-Y517 HydrophobicContact CG1-CD1 4.11Å; I497-Y517 HydrophobicContact CG1-CE1 3.83Å; I497-Y517 HydrophobicContact CG1-CE2 4.24Å; I497-Y517 HydrophobicContact CG1-CG 4.45Å; I497-Y517 HydrophobicContact CG2-CD2 4.45Å; I497-Y517 HydrophobicContact CG2-CG 4.27Å; I497-P518 WeakPolarHBondContact O-CD 3.42Å
498I98.5Very high97Very high5 Ų531.3 Ų31.33%0.02616%0.158CC..EExtended strand (participates in β ladder)trans-128.2132.8165.5-59172.7000106.1W314 F356 F452 N453 I454 P518 L520 F581W314-I498 HydrophobicContact CZ3-CD1 3.81Å; F356-I498 HydrophobicContact CD1-CD1 4.4Å; F356-I498 HydrophobicContact CE1-CD1 3.77Å; F356-I498 HydrophobicContact CE1-CG1 3.94Å; F356-I498 HydrophobicContact CE2-CD1 4.04Å; F356-I498 HydrophobicContact CZ-CD1 3.57Å; F356-I498 HydrophobicContact CZ-CG1 4.12Å; F452-I498 PolarHBondContact O-N 3.02Å; N453-I498 CarbonylContact C-O 3.54Å; N453-I498 VanDerWaalsContact CA-O 3.27Å; N453-I498 WeakPolarHBondContact CA-O 3.47Å; I454-I498 PolarHBondContact N-O 3.45Å; I498-P518 HydrophobicContact CG1-CG 4.07Å; I498-L520 HydrophobicContact CG2-CD1 3.82Å; I498-L520 HydrophobicContact CG2-CG 3.77Å; I498-F581 HydrophobicContact CD1-CE2 4.41Å; I498-F581 HydrophobicContact CD1-CZ 4.05Å
499F98.9Very high97Very high1 Ų131.3 Ų31.30%0.00416%0.158CC..EExtended strand (participates in β ladder)trans-88.5155.4166-67.8-73.4000110.2I454 L456 L485 V488 I497 V510 Y517 P518 I519 L520I454-F499 HydrophobicContact CB-CD1 3.9Å; I454-F499 HydrophobicContact CB-CE1 4.19Å; I454-F499 HydrophobicContact CD1-CE1 4.21Å; I454-F499 HydrophobicContact CG2-CD1 4.15Å; I454-F499 HydrophobicContact CG2-CE1 4.22Å; I454-F499 CarbonylContact O-C 3.53Å; I454-F499 WeakPolarHBondContact O-CA 3.46Å; L456-F499 HydrophobicContact CD1-CB 4.42Å; L456-F499 HydrophobicContact CD1-CD1 4.17Å; L456-F499 HydrophobicContact CD2-CD1 4.21Å; L456-F499 HydrophobicContact CD2-CE1 4.45Å; L456-F499 HydrophobicContact CG-CD1 4.19Å; L485-F499 HydrophobicContact CD2-CD2 4.43Å; L485-F499 HydrophobicContact CD2-CE1 4.08Å; L485-F499 HydrophobicContact CD2-CE2 3.66Å; L485-F499 HydrophobicContact CD2-CZ 3.45Å; L485-F499 VanDerWaalsContact CD2-CZ 3.45Å; V488-F499 HydrophobicContact CB-CZ 3.99Å; V488-F499 HydrophobicContact CG1-CE1 4.43Å; V488-F499 HydrophobicContact CG1-CZ 3.75Å; V488-F499 HydrophobicContact CG2-CE1 3.98Å; V488-F499 HydrophobicContact CG2-CZ 3.96Å; I497-F499 HydrophobicContact CG2-CE2 4.45Å; I497-F499 HydrophobicContact CG2-CZ 4.43Å; F499-V510 HydrophobicContact CB-CG1 4.46Å; F499-V510 HydrophobicContact CD2-CG1 3.86Å; F499-V510 HydrophobicContact CE2-CG1 4.45Å; F499-V510 HydrophobicContact CG-CG1 4.33Å; F499-Y517 HydrophobicContact CE2-CD2 4.2Å; F499-Y517 HydrophobicContact CE2-CG 4.47Å; F499-P518 PolarHBondContact N-O 3.37Å; F499-I519 HydrophobicContact CB-CB 3.95Å; F499-I519 HydrophobicContact CB-CD1 3.84Å; F499-I519 HydrophobicContact CB-CG1 3.89Å; F499-I519 CarbonylContact O-C 3.53Å; F499-I519 VanDerWaalsContact O-CA 3.23Å; F499-I519 WeakPolarHBondContact O-CA 3.35Å; F499-L520 PolarHBondContact O-N 2.86Å
500S98.8Very high97.1Very high1 Ų129.6 Ų29.61%0.00715%0.149CC..EExtended strand (participates in β ladder)trans-141.8151.8167.3550000111.1N453 I454 E455 L456 L520N453-S500 WeakPolarHBondContact OD1-CB 3.48Å; N453-S500 PolarHBondContact OD1-OG 3.07Å; I454-S500 PolarHBondContact O-N 3.1Å; E455-S500 CarbonylContact C-O 3.58Å; E455-S500 WeakPolarHBondContact CA-O 3.36Å; E455-S500 WeakPolarHBondContact CA-OG 3.26Å; L456-S500 PolarHBondContact N-O 3.24Å; S500-L520 VanDerWaalsContact CA-O 3.25Å; S500-L520 WeakPolarHBondContact CA-O 3.09Å
501C98.6Very high97.1Very high1 Ų124.6 Ų24.61%0.00712%0.122CC..EExtended strand (participates in β ladder)trans-161.2145.6177.3-167.50000111.5L456 D503 I506 L520 F521 L522L456-C501 HydrophobicContact CB-CB 4.19Å; L456-C501 PolarHBondContact O-SG 3.44Å; C501-D503 PolarHBondContact SG-N 3.4Å; C501-I506 HydrophobicContact CB-CB 4.47Å; C501-I506 HydrophobicContact CB-CG2 3.93Å; C501-I506 VanDerWaalsContact SG-CG2 3.55Å; C501-L520 PolarHBondContact N-O 3.32Å; C501-F521 WeakPolarHBondContact O-CD2 3.48Å; C501-L522 WeakPolarHBondContact O-CB 3.48Å; C501-L522 PolarHBondContact O-N 3.39Å
502F97.5Very high97.1Very high42 Ų4223 Ų2318%0.18411%0.113CC..SBendtrans-79.8-19.8171.3-77.2-81.5000113.3P504 F521 L522 W583F502-P504 WeakPolarHBondContact O-CD 3.27Å; F502-F521 WeakPolarHBondContact O-CE2 3.45Å; F502-L522 HydrophobicContact CB-CB 4.42Å; F502-L522 HydrophobicContact CD1-CB 3.59Å; F502-L522 WeakPolarHBondContact CD1-O 3.37Å; F502-L522 HydrophobicContact CD2-CB 3.82Å; F502-L522 HydrophobicContact CD2-CD1 3.7Å; F502-L522 HydrophobicContact CD2-CG 4.35Å; F502-L522 HydrophobicContact CE1-CB 3.67Å; F502-L522 HydrophobicContact CE2-CB 3.89Å; F502-L522 HydrophobicContact CE2-CD1 3.69Å; F502-L522 HydrophobicContact CE2-CG 4.23Å; F502-L522 HydrophobicContact CG-CB 3.67Å; F502-L522 HydrophobicContact CG-CD1 4.37Å; F502-L522 HydrophobicContact CZ-CB 3.82Å; F502-L522 HydrophobicContact CZ-CD1 4.34Å; F502-L522 HydrophobicContact CZ-CD2 4.43Å; F502-L522 HydrophobicContact CZ-CG 4.42Å; F502-W583 HydrophobicContact CE1-CH2 4.19Å; F502-W583 AromaticContact CE1-CZ2 3.6Å; F502-W583 HydrophobicContact CE1-CZ2 3.6Å; F502-W583 AromaticContact CZ-CE2 3.92Å; F502-W583 AromaticContact CZ-CH2 3.76Å; F502-W583 HydrophobicContact CZ-CH2 3.76Å; F502-W583 AromaticContact CZ-CZ2 3.43Å; F502-W583 HydrophobicContact CZ-CZ2 3.43Å; F502-W583 VanDerWaalsContact CZ-CZ2 3.43Å; F502-W583 HydrophobicContact CZ-CZ3 4.49Å
503D97.6Very high97.2Very high20 Ų2023 Ų2311%0.10711%0.113CC..  trans-87.9119.6-179.7-174.1-74.4000110.2W458 C501 D505 I506 C507W458-D503 HydrophobicContact CB-CB 4.08Å; W458-D503 VanDerWaalsContact CD1-OD2 3.25Å; W458-D503 HydrophobicContact CG-CB 4.13Å; C501-D503 PolarHBondContact SG-N 3.4Å; D503-D505 VanDerWaalsContact C-N 3.33Å; D503-D505 PolarHBondContact O-N 3.4Å; D503-D505 WeakPolarHBondContact OD1-CA 3.42Å; D503-D505 VanDerWaalsContact OD1-CB 3.29Å; D503-D505 WeakPolarHBondContact OD1-CB 3.48Å; D503-D505 PolarHBondContact OD1-N 2.93Å; D503-I506 HydrophobicContact CB-CB 4.1Å; D503-I506 HydrophobicContact CB-CG1 3.94Å; D503-I506 PolarHBondContact O-N 2.91Å; D503-I506 PolarHBondContact OD1-N 3.5Å; D503-C507 PolarHBondContact O-N 3.03Å; D503-C507 VanDerWaalsContact O-N 3.14Å; D503-C507 PolarHBondContact O-SG 2.84Å
504P96.9Very high97.4Very high2 Ų221 Ų211%0.0139%0.092CC..Hα-helixtrans-68.1-30.6-177.626.8-35.3000112.7F502 C507 T508 F521 R537 F547F502-P504 WeakPolarHBondContact O-CD 3.27Å; P504-C507 WeakPolarHBondContact O-CB 3.42Å; P504-C507 PolarHBondContact O-N 3.03Å; P504-T508 PolarHBondContact O-N 3.26Å; P504-T508 PolarHBondContact O-OG1 3.05Å; P504-F521 HydrophobicContact CB-CE2 4.03Å; P504-F521 HydrophobicContact CB-CZ 4.24Å; P504-R537 HydrophobicContact CB-CB 4.24Å; P504-R537 HydrophobicContact CG-CB 4.23Å; P504-F547 HydrophobicContact CB-CD1 4.42Å; P504-F547 HydrophobicContact CB-CE1 3.72Å; P504-F547 HydrophobicContact CB-CE2 3.93Å; P504-F547 HydrophobicContact CB-CZ 3.46Å; P504-F547 VanDerWaalsContact CB-CZ 3.46Å; P504-F547 WeakPolarHBondContact O-CZ 3.35Å
505D97.5Very high97.6Very high12 Ų1212.2 Ų12.26%0.0645%0.054CC..Hα-helixtrans-69.8-42.7178.4-71.3-8.5000110.7R134 L294 M477 D503 C507 T508 M509 R537R134-D505 IonicContact CZ-OD1 2.68Å; R134-D505 IonicContact CZ-OD2 2.88Å; R134-D505 IonicContact NH1-OD1 3.77Å; R134-D505 PolarHBondContact NH1-OD1 2.91Å; R134-D505 IonicContact NH1-OD2 3.38Å; R134-D505 PolarHBondContact NH1-OD2 2.83Å; R134-D505 IonicContact NH2-OD1 3.48Å; R134-D505 PolarHBondContact NH2-OD1 2.82Å; R134-D505 IonicContact NH2-OD2 2.75Å; L294-D505 HydrophobicContact CD2-CB 3.69Å; M477-D505 HydrophobicContact CE-CB 4.22Å; M477-D505 HydrophobicContact SD-CB 4.37Å; D503-D505 VanDerWaalsContact C-N 3.33Å; D503-D505 PolarHBondContact O-N 3.4Å; D503-D505 WeakPolarHBondContact OD1-CA 3.42Å; D503-D505 VanDerWaalsContact OD1-CB 3.29Å; D503-D505 WeakPolarHBondContact OD1-CB 3.48Å; D503-D505 PolarHBondContact OD1-N 2.93Å; D505-C507 VanDerWaalsContact C-N 3.26Å; D505-C507 PolarHBondContact O-N 3.03Å; D505-T508 PolarHBondContact O-N 2.97Å; D505-M509 WeakPolarHBondContact O-CB 3.27Å; D505-M509 WeakPolarHBondContact O-CG 3.23Å; D505-M509 PolarHBondContact O-N 3.23Å; D505-R537 IonicContact OD1-CZ 3.23Å; D505-R537 VanDerWaalsContact OD1-CZ 3.29Å; D505-R537 IonicContact OD1-NH1 3.46Å; D505-R537 PolarHBondContact OD1-NH1 2.83Å; D505-R537 IonicContact OD1-NH2 3.83Å; D505-R537 PolarHBondContact OD1-NH2 2.73Å; D505-R537 IonicContact OD2-NH2 3.75Å
506I98.3Very high97.6Very high0 Ų013.8 Ų13.80%06%0.061CC..Hα-helixtrans-57.5-42.3171.4-67-65000110.8L456 W458 M477 F480 L481 C501 D503 M509 V510L456-I506 HydrophobicContact CB-CG2 4.1Å; L456-I506 HydrophobicContact CD1-CG2 3.71Å; W458-I506 HydrophobicContact CB-CG1 4.21Å; W458-I506 HydrophobicContact CD2-CD1 4.05Å; W458-I506 HydrophobicContact CD2-CG1 4.06Å; W458-I506 HydrophobicContact CE3-CD1 3.97Å; W458-I506 HydrophobicContact CE3-CG1 4.4Å; W458-I506 HydrophobicContact CG-CD1 4.46Å; W458-I506 HydrophobicContact CG-CG1 3.95Å; W458-I506 HydrophobicContact CZ3-CD1 4.35Å; M477-I506 HydrophobicContact CB-CD1 4.28Å; M477-I506 HydrophobicContact CG-CD1 4.06Å; F480-I506 HydrophobicContact CD1-CD1 4.41Å; L481-I506 HydrophobicContact CD1-CD1 3.77Å; L481-I506 HydrophobicContact CD1-CG2 4.31Å; L481-I506 HydrophobicContact CD2-CD1 4.19Å; L481-I506 HydrophobicContact CD2-CG2 3.94Å; L481-I506 HydrophobicContact CG-CD1 3.94Å; C501-I506 HydrophobicContact CB-CB 4.47Å; C501-I506 HydrophobicContact CB-CG2 3.93Å; C501-I506 VanDerWaalsContact SG-CG2 3.55Å; D503-I506 HydrophobicContact CB-CB 4.1Å; D503-I506 HydrophobicContact CB-CG1 3.94Å; D503-I506 PolarHBondContact O-N 2.91Å; D503-I506 PolarHBondContact OD1-N 3.5Å; I506-M509 PolarHBondContact O-N 3.35Å; I506-V510 HydrophobicContact CG2-CG2 4.45Å; I506-V510 WeakPolarHBondContact O-CG2 3.41Å; I506-V510 PolarHBondContact O-N 3.19Å
507C98.6Very high97.7Very high0 Ų09.3 Ų9.30%04%0.044CC..Hα-helixtrans-60.3-48.5177.6-67.70000112.8D503 P504 D505 M509 V510 R511 I519 F547 I553D503-C507 PolarHBondContact O-N 3.03Å; D503-C507 VanDerWaalsContact O-N 3.14Å; D503-C507 PolarHBondContact O-SG 2.84Å; P504-C507 WeakPolarHBondContact O-CB 3.42Å; P504-C507 PolarHBondContact O-N 3.03Å; D505-C507 VanDerWaalsContact C-N 3.26Å; D505-C507 PolarHBondContact O-N 3.03Å; C507-M509 VanDerWaalsContact C-N 3.35Å; C507-M509 PolarHBondContact O-N 3.3Å; C507-V510 PolarHBondContact O-N 3.07Å; C507-R511 PolarHBondContact O-N 3.34Å; C507-I519 HydrophobicContact CB-CD1 4.23Å; C507-F547 HydrophobicContact CB-CE1 4.31Å; C507-F547 HydrophobicContact CB-CZ 4.48Å; C507-I553 HydrophobicContact CB-CD1 3.7Å
508T97.8Very high97.7Very high4 Ų49.2 Ų9.23%0.0254%0.044CC..Hα-helixtrans-59.9-44.7174.4-71.50000111I296 P504 D505 V510 R511 L512 E551I296-T508 HydrophobicContact CD1-CG2 4.25Å; P504-T508 PolarHBondContact O-N 3.26Å; P504-T508 PolarHBondContact O-OG1 3.05Å; D505-T508 PolarHBondContact O-N 2.97Å; T508-V510 PolarHBondContact O-N 3.47Å; T508-R511 WeakPolarHBondContact O-CB 3.32Å; T508-R511 PolarHBondContact O-N 2.89Å; T508-R511 VanDerWaalsContact O-N 3.1Å; T508-L512 HydrophobicContact CG2-CD1 3.74Å; T508-L512 HydrophobicContact CG2-CG 4.32Å; T508-L512 WeakPolarHBondContact O-CG 3.26Å; T508-L512 PolarHBondContact O-N 2.75Å; T508-E551 WeakPolarHBondContact CG2-OE2 3.34Å; T508-E551 WeakPolarHBondContact OG1-CG 3.37Å; T508-E551 PolarHBondContact OG1-OE2 2.82Å
509M98.4Very high97.7Very high0 Ų09 Ų90%04%0.043CC..Hα-helixtrans-62.5-39.4-180-71.3176.279.300112.6L294 I296 M477 N478 L481 D505 I506 C507 R511 L512 K513L294-M509 HydrophobicContact CD1-SD 4.17Å; L294-M509 HydrophobicContact CD2-CG 4.44Å; L294-M509 HydrophobicContact CD2-SD 4.2Å; I296-M509 HydrophobicContact CB-CG 4.44Å; I296-M509 HydrophobicContact CD1-CG 3.65Å; I296-M509 HydrophobicContact CG1-CE 4.48Å; I296-M509 HydrophobicContact CG1-CG 3.79Å; I296-M509 HydrophobicContact CG1-SD 4.43Å; I296-M509 HydrophobicContact CG2-CB 4.38Å; I296-M509 HydrophobicContact CG2-CE 4.19Å; I296-M509 HydrophobicContact CG2-CG 3.86Å; M477-M509 HydrophobicContact CB-CE 3.75Å; M477-M509 HydrophobicContact CB-SD 3.73Å; M477-M509 HydrophobicContact CG-SD 4.47Å; M477-M509 HydrophobicContact SD-SD 4.17Å; N478-M509 HydrophobicContact CB-CE 4.49Å; N478-M509 WeakPolarHBondContact OD1-CE 3.48Å; L481-M509 HydrophobicContact CD1-CB 3.35Å; L481-M509 HydrophobicContact CD1-CE 4.07Å; L481-M509 HydrophobicContact CD1-CG 4.26Å; L481-M509 HydrophobicContact CD1-SD 4.02Å; D505-M509 WeakPolarHBondContact O-CB 3.27Å; D505-M509 WeakPolarHBondContact O-CG 3.23Å; D505-M509 PolarHBondContact O-N 3.23Å; I506-M509 PolarHBondContact O-N 3.35Å; C507-M509 VanDerWaalsContact C-N 3.35Å; C507-M509 PolarHBondContact O-N 3.3Å; M509-R511 VanDerWaalsContact C-N 3.29Å; M509-R511 PolarHBondContact O-N 3.38Å; M509-L512 PolarHBondContact O-N 2.8Å; M509-K513 HydrophobicContact CB-CD 4.48Å; M509-K513 VanDerWaalsContact O-CB 3.23Å; M509-K513 WeakPolarHBondContact O-CB 3.23Å; M509-K513 VanDerWaalsContact O-CG 3.27Å; M509-K513 WeakPolarHBondContact O-CG 3.33Å; M509-K513 PolarHBondContact O-N 3.32Å
510V98.4Very high97.7Very high0 Ų09 Ų90%04%0.043CC..Hα-helixtrans-64.3-35174.9171.30000111.5L456 L481 L485 F499 I506 C507 T508 Q514 I519L456-V510 HydrophobicContact CD1-CG2 3.54Å; L481-V510 HydrophobicContact CD1-CG2 4.34Å; L481-V510 HydrophobicContact CD2-CG2 4.07Å; L485-V510 HydrophobicContact CD2-CG1 4.44Å; L485-V510 HydrophobicContact CD2-CG2 4.44Å; F499-V510 HydrophobicContact CB-CG1 4.46Å; F499-V510 HydrophobicContact CD2-CG1 3.86Å; F499-V510 HydrophobicContact CE2-CG1 4.45Å; F499-V510 HydrophobicContact CG-CG1 4.33Å; I506-V510 HydrophobicContact CG2-CG2 4.45Å; I506-V510 WeakPolarHBondContact O-CG2 3.41Å; I506-V510 PolarHBondContact O-N 3.19Å; C507-V510 PolarHBondContact O-N 3.07Å; T508-V510 PolarHBondContact O-N 3.47Å; V510-Q514 WeakPolarHBondContact O-CG 3.25Å; V510-Q514 PolarHBondContact O-NE2 3.3Å; V510-I519 HydrophobicContact CB-CD1 3.8Å; V510-I519 HydrophobicContact CB-CG2 4.46Å; V510-I519 HydrophobicContact CG1-CB 4.07Å; V510-I519 HydrophobicContact CG1-CD1 3.97Å; V510-I519 HydrophobicContact CG1-CG2 4.18Å; V510-I519 HydrophobicContact CG2-CD1 3.84Å
511R96.4Very high97.7Very high14 Ų148.9 Ų8.95%0.0534%0.043CC..Hα-helixtrans-68.1-38173.6-71.7-57.3-59.9112.7-1112.6D121 C507 T508 M509 I519 N552 I553D121-R511 IonicContact OD1-NH2 3.36Å; D121-R511 IonicContact OD2-NH2 3.95Å; D121-R511 PolarHBondContact OD2-NH2 2.7Å; C507-R511 PolarHBondContact O-N 3.34Å; T508-R511 WeakPolarHBondContact O-CB 3.32Å; T508-R511 PolarHBondContact O-N 2.89Å; T508-R511 VanDerWaalsContact O-N 3.1Å; M509-R511 VanDerWaalsContact C-N 3.29Å; M509-R511 PolarHBondContact O-N 3.38Å; R511-I519 HydrophobicContact CG-CG2 3.89Å; R511-N552 PolarHBondContact NE-O 3.28Å; R511-I553 HydrophobicContact CG-CG1 4Å
512L97.2Very high97.7Very high30 Ų309 Ų916%0.1574%0.043CC..Hα-helixtrans-81.4-25.5-178.1-69.3176.4000113.8W124 L125 D130 I296 T508 M509W124-L512 WeakPolarHBondContact CB-O 3.39Å; L125-L512 WeakPolarHBondContact CB-O 3.42Å; L125-L512 HydrophobicContact CD1-CB 3.91Å; L125-L512 HydrophobicContact CG-CB 4.06Å; L125-L512 PolarHBondContact N-O 2.66Å; D130-L512 HydrophobicContact CB-CD1 4.04Å; I296-L512 HydrophobicContact CD1-CD1 3.7Å; I296-L512 HydrophobicContact CG2-CB 4.49Å; I296-L512 HydrophobicContact CG2-CD1 4.45Å; T508-L512 HydrophobicContact CG2-CD1 3.74Å; T508-L512 HydrophobicContact CG2-CG 4.32Å; T508-L512 WeakPolarHBondContact O-CG 3.26Å; T508-L512 PolarHBondContact O-N 2.75Å; M509-L512 PolarHBondContact O-N 2.8Å
513K97.4Very high97.6Very high3 Ų37.1 Ų7.11%0.0134%0.035CC..Hα-helixtrans-91.3-16.7-173.8-76.3176.1175.1-77.80115I296 R297 I299 N478 L481 D482 L485 M509I296-K513 HydrophobicContact CG2-CG 4.47Å; R297-K513 PolarHBondContact O-NZ 2.84Å; I299-K513 HydrophobicContact CD1-CB 4.15Å; I299-K513 HydrophobicContact CG1-CB 4.01Å; I299-K513 HydrophobicContact CG1-CD 4.42Å; I299-K513 HydrophobicContact CG1-CG 4.35Å; N478-K513 VanDerWaalsContact OD1-CE 3.27Å; N478-K513 WeakPolarHBondContact OD1-CE 3.29Å; N478-K513 PolarHBondContact OD1-NZ 3.47Å; L481-K513 HydrophobicContact CB-CD 4.16Å; L481-K513 HydrophobicContact CD1-CD 4.44Å; D482-K513 IonicContact OD1-NZ 2.81Å; D482-K513 PolarHBondContact OD1-NZ 3.09Å; D482-K513 IonicContact OD2-NZ 3.74Å; L485-K513 HydrophobicContact CD1-CB 3.82Å; L485-K513 HydrophobicContact CD1-CD 4.21Å; M509-K513 HydrophobicContact CB-CD 4.48Å; M509-K513 VanDerWaalsContact O-CB 3.23Å; M509-K513 WeakPolarHBondContact O-CB 3.23Å; M509-K513 VanDerWaalsContact O-CG 3.27Å; M509-K513 WeakPolarHBondContact O-CG 3.33Å; M509-K513 PolarHBondContact O-N 3.32Å
514Q96.2Very high97.5Very high0 Ų07 Ų70%03%0.034CC..  trans-151.3163.2-177.662.975.34400112.4L485 L489 V510 Y517L485-Q514 HydrophobicContact CD1-CG 4.36Å; L485-Q514 HydrophobicContact CD2-CG 4.36Å; L489-Q514 HydrophobicContact CD1-CB 4.14Å; V510-Q514 WeakPolarHBondContact O-CG 3.25Å; V510-Q514 PolarHBondContact O-NE2 3.3Å; Q514-Y517 PolarHBondContact NE2-O 3.43Å
515N96.4Very high97.3Very high7 Ų77.1 Ų7.14%0.0374%0.035CC..SBendtrans-122.27.2-171.875.4-19000114.7W88 W124 C304 D305 S309 T311W88-N515 HydrophobicContact CZ2-CB 4.03Å; W124-N515 HydrophobicContact CD2-CB 3.7Å; W124-N515 HydrophobicContact CE3-CB 3.3Å; W124-N515 HydrophobicContact CG-CB 4.28Å; W124-N515 HydrophobicContact CH2-CB 4.37Å; W124-N515 VanDerWaalsContact CH2-ND2 3.25Å; W124-N515 WeakPolarHBondContact CH2-ND2 3.38Å; W124-N515 HydrophobicContact CZ3-CB 3.69Å; W124-N515 WeakPolarHBondContact CZ3-ND2 3.47Å; C304-N515 VanDerWaalsContact CB-OD1 3.26Å; C304-N515 WeakPolarHBondContact CB-OD1 3.42Å; D305-N515 PolarHBondContact O-ND2 3.41Å; S309-N515 WeakPolarHBondContact CB-O 2.85Å; S309-N515 PolarHBondContact OG-O 2.61Å; T311-N515 WeakPolarHBondContact CG2-O 3.23Å
516K96.4Very high97Very high43 Ų4311.7 Ų11.719%0.1876%0.059CC..SBendtrans-106.8-49.6-168.8-169.8174.8-178.9-173.40113.6Y310 T311 L489Y310-K516 CarbonylContact C-O 3.58Å; Y310-K516 VanDerWaalsContact CA-O 3.29Å; Y310-K516 WeakPolarHBondContact CA-O 3.43Å; Y310-K516 VanDerWaalsContact CB-O 3.28Å; Y310-K516 WeakPolarHBondContact CB-O 3.36Å; Y310-K516 HydrophobicContact CD2-CG 4.35Å; Y310-K516 PolarHBondContact N-O 2.98Å; T311-K516 PolarHBondContact N-O 3.37Å; L489-K516 HydrophobicContact CD2-CB 4.12Å; L489-K516 HydrophobicContact CD2-CD 4.21Å
517Y97.8Very high96.7Very high4 Ų412.7 Ų12.72%0.0167%0.066CC..  trans-107.7143.3-171.3-58.8-55.6000112.4V488 L489 A492 I497 F499 Q514V488-Y517 HydrophobicContact CG1-CD2 4Å; V488-Y517 HydrophobicContact CG1-CE2 3.8Å; L489-Y517 HydrophobicContact CD2-CD2 4.08Å; L489-Y517 HydrophobicContact CD2-CE2 3.8Å; A492-Y517 HydrophobicContact CB-CE2 4.35Å; A492-Y517 WeakPolarHBondContact CB-OH 3.13Å; I497-Y517 HydrophobicContact CB-CD1 3.65Å; I497-Y517 HydrophobicContact CB-CD2 4.25Å; I497-Y517 HydrophobicContact CB-CE1 3.92Å; I497-Y517 HydrophobicContact CB-CE2 4.47Å; I497-Y517 HydrophobicContact CB-CG 3.84Å; I497-Y517 HydrophobicContact CG1-CD1 4.11Å; I497-Y517 HydrophobicContact CG1-CE1 3.83Å; I497-Y517 HydrophobicContact CG1-CE2 4.24Å; I497-Y517 HydrophobicContact CG1-CG 4.45Å; I497-Y517 HydrophobicContact CG2-CD2 4.45Å; I497-Y517 HydrophobicContact CG2-CG 4.27Å; F499-Y517 HydrophobicContact CE2-CD2 4.2Å; F499-Y517 HydrophobicContact CE2-CG 4.47Å; Q514-Y517 PolarHBondContact NE2-O 3.43Å
518P97.7Very high96.1Very high5 Ų520.7 Ų20.73%0.03210%0.103CC..  trans-75.4165.2175.231.9-35.4000112.3Y310 T311 I497 I498 F499 L554Y310-P518 WeakPolarHBondContact O-CD 3.4Å; T311-P518 WeakPolarHBondContact O-CB 3.33Å; I497-P518 WeakPolarHBondContact O-CD 3.42Å; I498-P518 HydrophobicContact CG1-CG 4.07Å; F499-P518 PolarHBondContact N-O 3.37Å; P518-L554 HydrophobicContact CB-CB 3.71Å; P518-L554 HydrophobicContact CB-CD1 4.41Å; P518-L554 HydrophobicContact CB-CD2 3.48Å; P518-L554 VanDerWaalsContact CB-CD2 3.48Å; P518-L554 HydrophobicContact CB-CG 4.03Å; P518-L554 HydrophobicContact CG-CD2 3.89Å
519I98.6Very high95.6Very high0 Ų025.1 Ų25.10%012%0.122CC..EExtended strand (participates in β ladder)trans-131.7143169.3-178.3153.8000110.6L456 F499 C507 V510 R511 I553 L554L456-I519 HydrophobicContact CD1-CD1 4.35Å; F499-I519 HydrophobicContact CB-CB 3.95Å; F499-I519 HydrophobicContact CB-CD1 3.84Å; F499-I519 HydrophobicContact CB-CG1 3.89Å; F499-I519 CarbonylContact O-C 3.53Å; F499-I519 VanDerWaalsContact O-CA 3.23Å; F499-I519 WeakPolarHBondContact O-CA 3.35Å; C507-I519 HydrophobicContact CB-CD1 4.23Å; V510-I519 HydrophobicContact CB-CD1 3.8Å; V510-I519 HydrophobicContact CB-CG2 4.46Å; V510-I519 HydrophobicContact CG1-CB 4.07Å; V510-I519 HydrophobicContact CG1-CD1 3.97Å; V510-I519 HydrophobicContact CG1-CG2 4.18Å; V510-I519 HydrophobicContact CG2-CD1 3.84Å; R511-I519 HydrophobicContact CG-CG2 3.89Å; I519-I553 HydrophobicContact CG2-CG1 4.37Å; I519-I553 HydrophobicContact CG2-CG2 4.23Å; I519-I553 WeakPolarHBondContact O-CG2 3.32Å; I519-L554 WeakPolarHBondContact O-CB 3.29Å; I519-L554 PolarHBondContact O-N 2.85Å; I519-L554 VanDerWaalsContact O-N 3.11Å
520L98.8Very high95.2Very high0 Ų029.2 Ų29.20%014%0.138CC..EExtended strand (participates in β ladder)trans-104.9134.1169.8-63.7174000109.8I498 F499 S500 C501 L554 G555 V579 F581I498-L520 HydrophobicContact CG2-CD1 3.82Å; I498-L520 HydrophobicContact CG2-CG 3.77Å; F499-L520 PolarHBondContact O-N 2.86Å; S500-L520 VanDerWaalsContact CA-O 3.25Å; S500-L520 WeakPolarHBondContact CA-O 3.09Å; C501-L520 PolarHBondContact N-O 3.32Å; L520-L554 HydrophobicContact CD2-CB 4.37Å; L520-L554 HydrophobicContact CD2-CD2 4.18Å; L520-L554 HydrophobicContact CD2-CG 4.33Å; L520-G555 WeakPolarHBondContact CA-O 3.45Å; L520-V579 HydrophobicContact CD2-CB 4.44Å; L520-F581 HydrophobicContact CD1-CB 4.26Å; L520-F581 HydrophobicContact CD1-CD1 3.98Å; L520-F581 HydrophobicContact CD1-CD2 3.72Å; L520-F581 HydrophobicContact CD1-CE1 4.21Å; L520-F581 HydrophobicContact CD1-CE2 3.95Å; L520-F581 HydrophobicContact CD1-CG 3.73Å; L520-F581 HydrophobicContact CD1-CZ 4.18Å
521F98.7Very high94.9Very high0 Ų032.8 Ų32.80%016%0.161CC..EExtended strand (participates in β ladder)trans-82.7117.7172.2179.9-133.2000110.1C501 F502 P504 R537 A544 F547 I553 G555 I556 S557C501-F521 WeakPolarHBondContact O-CD2 3.48Å; F502-F521 WeakPolarHBondContact O-CE2 3.45Å; P504-F521 HydrophobicContact CB-CE2 4.03Å; P504-F521 HydrophobicContact CB-CZ 4.24Å; F521-R537 WeakPolarHBondContact CE1-O 3.48Å; F521-A544 HydrophobicContact CD1-CB 3.69Å; F521-A544 HydrophobicContact CE1-CB 3.54Å; F521-F547 AromaticContact CD1-CD1 3.7Å; F521-F547 HydrophobicContact CD1-CD1 3.7Å; F521-F547 HydrophobicContact CD1-CE1 4.19Å; F521-F547 HydrophobicContact CD2-CD1 4.49Å; F521-F547 HydrophobicContact CD2-CE1 4.18Å; F521-F547 AromaticContact CE1-CD1 3.88Å; F521-F547 HydrophobicContact CE1-CD1 3.88Å; F521-F547 HydrophobicContact CE1-CE1 4.43Å; F521-F547 HydrophobicContact CE2-CE1 4.41Å; F521-F547 HydrophobicContact CG-CD1 4.04Å; F521-F547 HydrophobicContact CG-CE1 4.07Å; F521-F547 HydrophobicContact CZ-CD1 4.35Å; F521-I553 HydrophobicContact CB-CG2 4.48Å; F521-G555 PolarHBondContact N-O 2.88Å; F521-I556 HydrophobicContact CB-CG2 4.49Å; F521-I556 CarbonylContact O-C 3.58Å; F521-I556 VanDerWaalsContact O-CA 3.28Å; F521-I556 WeakPolarHBondContact O-CA 2.93Å; F521-S557 PolarHBondContact O-N 2.8Å
522L98.4Very high94.7Very high4 Ų436 Ų362%0.02118%0.177CC..EExtended strand (participates in β ladder)trans-76.9129.3176.3-71.8159000109.4E455 C501 F502 S557E455-L522 HydrophobicContact CG-CD1 3.86Å; E455-L522 WeakPolarHBondContact OE2-CD1 3.18Å; C501-L522 WeakPolarHBondContact O-CB 3.48Å; C501-L522 PolarHBondContact O-N 3.39Å; F502-L522 HydrophobicContact CB-CB 4.42Å; F502-L522 HydrophobicContact CD1-CB 3.59Å; F502-L522 WeakPolarHBondContact CD1-O 3.37Å; F502-L522 HydrophobicContact CD2-CB 3.82Å; F502-L522 HydrophobicContact CD2-CD1 3.7Å; F502-L522 HydrophobicContact CD2-CG 4.35Å; F502-L522 HydrophobicContact CE1-CB 3.67Å; F502-L522 HydrophobicContact CE2-CB 3.89Å; F502-L522 HydrophobicContact CE2-CD1 3.69Å; F502-L522 HydrophobicContact CE2-CG 4.23Å; F502-L522 HydrophobicContact CG-CB 3.67Å; F502-L522 HydrophobicContact CG-CD1 4.37Å; F502-L522 HydrophobicContact CZ-CB 3.82Å; F502-L522 HydrophobicContact CZ-CD1 4.34Å; F502-L522 HydrophobicContact CZ-CD2 4.43Å; F502-L522 HydrophobicContact CZ-CG 4.42Å; L522-S557 WeakPolarHBondContact CA-O 3.3Å; L522-S557 VanDerWaalsContact CD2-CB 3.48Å; L522-S557 WeakPolarHBondContact CD2-OG 3.18Å
523T97Very high94.4Very high1 Ų135 Ų351%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-133.7131.5177.1-175.90000111G525 A544 S557 A558 H559 W583T523-G525 PolarHBondContact OG1-N 2.67Å; T523-G525 VanDerWaalsContact OG1-N 3.11Å; T523-A544 HydrophobicContact CG2-CB 3.86Å; T523-S557 PolarHBondContact N-O 2.94Å; T523-A558 HydrophobicContact CG2-CB 3.73Å; T523-A558 CarbonylContact O-C 3.44Å; T523-A558 WeakPolarHBondContact O-CA 3.29Å; T523-H559 PolarHBondContact O-N 2.89Å; T523-W583 PolarHBondContact O-NE1 2.7Å
524Q94.6Very high94.1Very high17 Ų1736.2 Ų36.28%0.07918%0.178CC..  trans-84.2-18.2167.260.6174.765.900112.4P531 L533 W583Q524-P531 PolarHBondContact NE2-O 3.19Å; Q524-L533 HydrophobicContact CG-CD1 4.18Å; Q524-W583 HydrophobicContact CB-CZ2 4.31Å
525G92.3Very high93.9Very high5 Ų537.8 Ų37.85%0.05219%0.186CC..  trans40.6-135.9-167.800000113.3T523 S527 E562T523-G525 PolarHBondContact OG1-N 2.67Å; T523-G525 VanDerWaalsContact OG1-N 3.11Å; G525-S527 PolarHBondContact O-N 3.45Å; G525-E562 VanDerWaalsContact CA-OE2 3.25Å; G525-E562 WeakPolarHBondContact CA-OE2 3.17Å
526I92.2Very high93.6Very high108 Ų10838.3 Ų38.355%0.55419%0.189SC*.SBendtrans-85.9108.3178.6-55.1176.2000109.3T540 E562I526-T540 HydrophobicContact CD1-CG2 4.25Å; I526-T540 HydrophobicContact CG1-CG2 4.29Å; I526-E562 VanDerWaalsContact N-CD 3.34Å; I526-E562 PolarHBondContact N-OE1 3.28Å; I526-E562 VanDerWaalsContact N-OE1 3.11Å; I526-E562 PolarHBondContact N-OE2 2.97Å
527S90.6Very high93.5Very high22 Ų2236.3 Ų36.315%0.15418%0.18CC..  trans-123.5145.4-179.4-179.20000112G525 K529 Y530 E561G525-S527 PolarHBondContact O-N 3.45Å; S527-K529 WeakPolarHBondContact OG-CB 3.4Å; S527-K529 PolarHBondContact OG-N 2.85Å; S527-Y530 PolarHBondContact OG-N 3.34Å; S527-E561 WeakPolarHBondContact CB-OE2 3.21Å; S527-E561 PolarHBondContact OG-OE2 2.88Å
528E87.8Confident93.4Very high168 Ų16836.4 Ų36.479%0.78518%0.181SC*.SBendtrans-86.7-17.7167.2-67.1169.8-143.100111.9E561 K565E528-E561 PolarHBondContact N-OE1 2.68Å; E528-K565 IonicContact OE1-NZ 3.74Å; E528-K565 PolarHBondContact OE1-NZ 3.01Å
529K87.4Confident93.1Very high96 Ų9638 Ų3842%0.41719%0.188SC..SBendtrans-84.4-36.7-178-61-179.9-175.6174.40112.3S527 D586S527-K529 WeakPolarHBondContact OG-CB 3.4Å; S527-K529 PolarHBondContact OG-N 2.85Å; K529-D586 VanDerWaalsContact NZ-CG 3.32Å; K529-D586 IonicContact NZ-OD1 2.73Å; K529-D586 PolarHBondContact NZ-OD1 3.33Å; K529-D586 VanDerWaalsContact NZ-OD1 3.16Å; K529-D586 IonicContact NZ-OD2 3.46Å; K529-D586 PolarHBondContact NZ-OD2 3.43Å
530Y89.7Confident92.9Very high86 Ų8638.7 Ų38.734%0.33719%0.192SC..SBendtrans-113.7142.7-173.7-60.3-77.3000112.6S527 H559 W583S527-Y530 PolarHBondContact OG-N 3.34Å; Y530-H559 AromaticContact CE2-CD2 4Å; Y530-H559 AromaticContact CE2-CE1 3.92Å; Y530-H559 AromaticContact CE2-NE2 3.59Å; Y530-W583 HydrophobicContact CE2-CH2 4.11Å; Y530-W583 HydrophobicContact CE2-CZ3 4.34Å
531P91.4Very high92.7Very high75 Ų7538.7 Ų38.749%0.48719%0.192SC..PPolyproline II helixtrans-63.2148.6174.726.9-34.5000111.8M462 Q524M462-P531 HydrophobicContact CE-CG 4.17Å; M462-P531 HydrophobicContact CG-CB 4.44Å; M462-P531 HydrophobicContact CG-CG 4.24Å; M462-P531 HydrophobicContact SD-CB 4.02Å; M462-P531 HydrophobicContact SD-CG 3.57Å; M462-P531 VanDerWaalsContact SD-CG 3.57Å; Q524-P531 PolarHBondContact NE2-O 3.19Å
532E91.5Very high92.6Very high82 Ų8240.6 Ų40.638%0.38320%0.201SC..PPolyproline II helixtrans-68.1133.9178.8-166.7-176160.800111.3M462 K463 Q539M462-E532 CarbonylContact C-O 3.54Å; K463-E532 HydrophobicContact CB-CB 4.27Å; K463-E532 WeakPolarHBondContact CB-O 3.31Å; K463-E532 HydrophobicContact CD-CB 4.23Å; K463-E532 HydrophobicContact CD-CG 4.03Å; K463-E532 WeakPolarHBondContact CD-OE1 3.39Å; K463-E532 WeakPolarHBondContact CD-OE2 3.41Å; K463-E532 WeakPolarHBondContact CE-OE2 3.23Å; K463-E532 PolarHBondContact N-O 3.46Å; K463-E532 IonicContact NZ-OE1 3.84Å; K463-E532 PolarHBondContact NZ-OE1 3.33Å; K463-E532 IonicContact NZ-OE2 2.96Å; K463-E532 PolarHBondContact NZ-OE2 2.82Å; E532-Q539 HydrophobicContact CG-CG 4.37Å
533L92.1Very high92.5Very high8 Ų840.4 Ų40.44%0.04220%0.2CC..BIsolated β-bridgetrans-77.4145.9177.6-65.3170.3000111.8M462 Q524 C538 Q539M462-L533 HydrophobicContact CE-CD2 4.1Å; M462-L533 HydrophobicContact SD-CD2 3.78Å; Q524-L533 HydrophobicContact CG-CD1 4.18Å; L533-C538 HydrophobicContact CB-CB 3.97Å; L533-C538 HydrophobicContact CD1-CB 3.51Å; L533-C538 HydrophobicContact CG-CB 4.39Å; L533-Q539 PolarHBondContact O-NE2 2.81Å
534M90.1Very high92.5Very high30 Ų3040.3 Ų40.315%0.14820%0.2CC..SBendtrans-68.9-37.4179-179.167.176.300112.1K139 Q461 K463 M536 Q539K139-M534 HydrophobicContact CG-CE 4.18Å; Q461-M534 HydrophobicContact CB-CB 4.15Å; Q461-M534 HydrophobicContact CG-CB 4.09Å; Q461-M534 VanDerWaalsContact O-CB 3.23Å; Q461-M534 WeakPolarHBondContact O-CB 3.26Å; Q461-M534 PolarHBondContact O-N 3.01Å; K463-M534 VanDerWaalsContact O-CE 3.3Å; K463-M534 WeakPolarHBondContact O-CE 3.17Å; M534-M536 PolarHBondContact O-N 2.81Å; M534-Q539 PolarHBondContact O-NE2 2.88Å
535D91.9Very high92.6Very high33 Ų3339.5 Ų39.518%0.17620%0.196CC..SBendtrans-69.7124.5-178.4-165.6-53.3000110.9W215 R537 C538W215-D535 HydrophobicContact CH2-CB 4.18Å; D535-R537 PolarHBondContact O-N 2.82Å; D535-R537 VanDerWaalsContact OD1-CB 3.26Å; D535-R537 WeakPolarHBondContact OD1-CB 3.47Å; D535-R537 WeakPolarHBondContact OD1-CG 3.49Å; D535-R537 IonicContact OD1-CZ 3.49Å; D535-R537 PolarHBondContact OD1-N 3.38Å; D535-R537 IonicContact OD1-NE 2.7Å; D535-R537 PolarHBondContact OD1-NE 2.82Å; D535-R537 IonicContact OD1-NH2 3.5Å; D535-R537 IonicContact OD2-CZ 3.57Å; D535-R537 IonicContact OD2-NE 2.84Å; D535-R537 PolarHBondContact OD2-NE 3.1Å; D535-R537 IonicContact OD2-NH2 3.52Å; D535-R537 PolarHBondContact OD2-NH2 3.28Å; D535-C538 PolarHBondContact O-N 3.39Å
536M91.4Very high92.8Very high17 Ų1739.6 Ų39.68%0.08420%0.196CC..G310 helixtrans-60.9-28.9-176.9-174.5175.6-74.500112.4W215 M534 C538 Q539 I543W215-M536 VanDerWaalsContact CD1-CE 3.46Å; W215-M536 HydrophobicContact CD2-CB 4Å; W215-M536 HydrophobicContact CG-CB 4.49Å; W215-M536 HydrophobicContact CG-CE 4.45Å; W215-M536 HydrophobicContact CG-SD 4.21Å; W215-M536 HydrophobicContact CH2-CB 4.36Å; W215-M536 HydrophobicContact CZ2-CB 3.78Å; M534-M536 PolarHBondContact O-N 2.81Å; M536-C538 PolarHBondContact O-N 3.02Å; M536-Q539 PolarHBondContact O-N 2.85Å; M536-I543 WeakPolarHBondContact O-CG2 3.27Å
537R94.2Very high93.1Very high1 Ų134.4 Ų34.40%0.00417%0.169CC..G310 helixtrans-69.5-15.1178.8-61.7169.1-73.6177.40.3112.9I192 P504 D505 F521 D535 F547I192-R537 HydrophobicContact CD1-CG 4.4Å; I192-R537 HydrophobicContact CG2-CG 4.02Å; P504-R537 HydrophobicContact CB-CB 4.24Å; P504-R537 HydrophobicContact CG-CB 4.23Å; D505-R537 IonicContact OD1-CZ 3.23Å; D505-R537 VanDerWaalsContact OD1-CZ 3.29Å; D505-R537 IonicContact OD1-NH1 3.46Å; D505-R537 PolarHBondContact OD1-NH1 2.83Å; D505-R537 IonicContact OD1-NH2 3.83Å; D505-R537 PolarHBondContact OD1-NH2 2.73Å; D505-R537 IonicContact OD2-NH2 3.75Å; F521-R537 WeakPolarHBondContact CE1-O 3.48Å; D535-R537 PolarHBondContact O-N 2.82Å; D535-R537 VanDerWaalsContact OD1-CB 3.26Å; D535-R537 WeakPolarHBondContact OD1-CB 3.47Å; D535-R537 WeakPolarHBondContact OD1-CG 3.49Å; D535-R537 IonicContact OD1-CZ 3.49Å; D535-R537 PolarHBondContact OD1-N 3.38Å; D535-R537 IonicContact OD1-NE 2.7Å; D535-R537 PolarHBondContact OD1-NE 2.82Å; D535-R537 IonicContact OD1-NH2 3.5Å; D535-R537 IonicContact OD2-CZ 3.57Å; D535-R537 IonicContact OD2-NE 2.84Å; D535-R537 PolarHBondContact OD2-NE 3.1Å; D535-R537 IonicContact OD2-NH2 3.52Å; D535-R537 PolarHBondContact OD2-NH2 3.28Å; R537-F547 HydrophobicContact CG-CD2 4.33Å
538C94.3Very high93.4Very high6 Ų633.4 Ų33.44%0.04116%0.162CC..G310 helixtrans-105.3-3.2-177.9-49.90000113.7L533 D535 M536L533-C538 HydrophobicContact CB-CB 3.97Å; L533-C538 HydrophobicContact CD1-CB 3.51Å; L533-C538 HydrophobicContact CG-CB 4.39Å; D535-C538 PolarHBondContact O-N 3.39Å; M536-C538 PolarHBondContact O-N 3.02Å
539Q92.1Very high93.7Very high38 Ų3829.8 Ų29.818%0.17815%0.145CC..SBendtrans-78.3-28.4-167.5-76.7173.61.800115E532 L533 M534 M536E532-Q539 HydrophobicContact CG-CG 4.37Å; L533-Q539 PolarHBondContact O-NE2 2.81Å; M534-Q539 PolarHBondContact O-NE2 2.88Å; M536-Q539 PolarHBondContact O-N 2.85Å
540T94.3Very high94.1Very high15 Ų1527.3 Ų27.39%0.09214%0.14CC..  trans-138.6156.7179.574.80000110.4A194 I526 Q542 I543 A544A194-T540 PolarHBondContact O-OG1 3.41Å; I526-T540 HydrophobicContact CD1-CG2 4.25Å; I526-T540 HydrophobicContact CG1-CG2 4.29Å; T540-Q542 VanDerWaalsContact C-N 3.28Å; T540-Q542 PolarHBondContact O-N 2.95Å; T540-Q542 PolarHBondContact OG1-N 2.84Å; T540-I543 VanDerWaalsContact O-CG2 3.28Å; T540-I543 WeakPolarHBondContact O-CG2 2.97Å; T540-I543 WeakPolarHBondContact OG1-CG2 3.24Å; T540-I543 PolarHBondContact OG1-N 2.77Å; T540-A544 PolarHBondContact O-N 3.06Å
541T95.6Very high94.3Very high0 Ų024.3 Ų24.30%013%0.129CC..Hα-helixtrans-64.9-32.2173-76.10000111.9A544 I545 I556 E562 Y569T541-A544 WeakPolarHBondContact O-CB 3.38Å; T541-A544 PolarHBondContact O-N 2.96Å; T541-I545 HydrophobicContact CG2-CD1 3.94Å; T541-I545 HydrophobicContact CG2-CG1 4.29Å; T541-I545 VanDerWaalsContact O-CG1 3.28Å; T541-I545 WeakPolarHBondContact O-CG1 3.39Å; T541-I545 PolarHBondContact O-N 3.49Å; T541-I556 HydrophobicContact CG2-CD1 4.11Å; T541-E562 WeakPolarHBondContact CB-OE2 3.32Å; T541-E562 PolarHBondContact OG1-OE2 3.29Å; T541-Y569 HydrophobicContact CG2-CD2 3.64Å; T541-Y569 HydrophobicContact CG2-CE2 4.36Å; T541-Y569 HydrophobicContact CG2-CG 4.13Å
542Q95.4Very high94.3Very high40 Ų4023 Ų2319%0.18712%0.118CC..Hα-helixtrans-65.4-43.3178.7-71.188.8-21.800113.5T540 A544 I545 S546 Y569T540-Q542 VanDerWaalsContact C-N 3.28Å; T540-Q542 PolarHBondContact O-N 2.95Å; T540-Q542 PolarHBondContact OG1-N 2.84Å; Q542-A544 VanDerWaalsContact C-N 3.31Å; Q542-I545 PolarHBondContact O-N 2.97Å; Q542-S546 PolarHBondContact O-N 2.78Å; Q542-S546 PolarHBondContact O-OG 3.25Å; Q542-Y569 HydrophobicContact CG-CE1 4.5Å; Q542-Y569 PolarHBondContact NE2-OH 2.68Å
543I95.7Very high94.6Very high0 Ų019.1 Ų19.10%010%0.1CC..Hα-helixtrans-68.9-34.5175.1-172.255.5000110.9I192 T193 A194 D196 M536 T540 I545 S546 F547I192-I543 HydrophobicContact CG2-CD1 3.97Å; I192-I543 HydrophobicContact CG2-CG1 4.4Å; T193-I543 WeakPolarHBondContact O-CD1 3.37Å; T193-I543 WeakPolarHBondContact O-CG1 3.41Å; A194-I543 WeakPolarHBondContact O-CB 3.12Å; D196-I543 WeakPolarHBondContact O-CD1 3.03Å; M536-I543 WeakPolarHBondContact O-CG2 3.27Å; T540-I543 VanDerWaalsContact O-CG2 3.28Å; T540-I543 WeakPolarHBondContact O-CG2 2.97Å; T540-I543 WeakPolarHBondContact OG1-CG2 3.24Å; T540-I543 PolarHBondContact OG1-N 2.77Å; I543-I545 PolarHBondContact O-N 3.03Å; I543-S546 PolarHBondContact O-N 2.7Å; I543-F547 VanDerWaalsContact O-CB 3.23Å; I543-F547 WeakPolarHBondContact O-CB 3.47Å; I543-F547 PolarHBondContact O-N 3.03Å
544A97.3Very high94.8Very high0 Ų019 Ų190%010%0.099CC..Hα-helixtrans-60.7-44.1173.400000112.3F521 T523 T540 T541 Q542 A548 I556F521-A544 HydrophobicContact CD1-CB 3.69Å; F521-A544 HydrophobicContact CE1-CB 3.54Å; T523-A544 HydrophobicContact CG2-CB 3.86Å; T540-A544 PolarHBondContact O-N 3.06Å; T541-A544 WeakPolarHBondContact O-CB 3.38Å; T541-A544 PolarHBondContact O-N 2.96Å; Q542-A544 VanDerWaalsContact C-N 3.31Å; A544-A548 VanDerWaalsContact O-CB 3.3Å; A544-A548 WeakPolarHBondContact O-CB 3.28Å; A544-A548 PolarHBondContact O-N 2.93Å; A544-I556 HydrophobicContact CB-CG2 4.45Å
545I97.4Very high95.2Very high0 Ų017.5 Ų17.50%09%0.092CC..Hα-helixtrans-59.2-47.9173-70.6170.4000110.6T541 Q542 I543 A548 Q549 I556 A573 K576 L578T541-I545 HydrophobicContact CG2-CD1 3.94Å; T541-I545 HydrophobicContact CG2-CG1 4.29Å; T541-I545 VanDerWaalsContact O-CG1 3.28Å; T541-I545 WeakPolarHBondContact O-CG1 3.39Å; T541-I545 PolarHBondContact O-N 3.49Å; Q542-I545 PolarHBondContact O-N 2.97Å; I543-I545 PolarHBondContact O-N 3.03Å; I545-A548 PolarHBondContact O-N 2.94Å; I545-Q549 WeakPolarHBondContact O-CB 3.5Å; I545-Q549 PolarHBondContact O-N 2.85Å; I545-I556 HydrophobicContact CD1-CD1 4.31Å; I545-I556 HydrophobicContact CG1-CD1 3.65Å; I545-A573 HydrophobicContact CD1-CB 3.9Å; I545-A573 HydrophobicContact CG1-CB 3.94Å; I545-A573 HydrophobicContact CG2-CB 4.39Å; I545-K576 HydrophobicContact CG2-CD 3.41Å; I545-K576 VanDerWaalsContact CG2-CD 3.41Å; I545-L578 HydrophobicContact CG2-CD1 3.98Å; I545-L578 WeakPolarHBondContact O-CD1 3.29Å
546S96.8Very high95.5Very high6 Ų616 Ų164%0.0428%0.084CC..Hα-helixtrans-66.8-43.3-176.8-56.40000111.7Q542 I543 Q549 S550Q542-S546 PolarHBondContact O-N 2.78Å; Q542-S546 PolarHBondContact O-OG 3.25Å; I543-S546 PolarHBondContact O-N 2.7Å; S546-Q549 PolarHBondContact O-N 3.49Å; S546-S550 WeakPolarHBondContact O-CB 3.45Å; S546-S550 PolarHBondContact O-N 2.63Å; S546-S550 PolarHBondContact O-OG 2.66Å; S546-S550 VanDerWaalsContact O-OG 3.11Å
547F97.2Very high95.9Very high0 Ų015.2 Ų15.20%08%0.08CC..Hα-helixtrans-59-50173.4169-104.5000111.7Y197 P504 C507 F521 R537 I543 Q549 S550 E551 I553Y197-F547 HydrophobicContact CD2-CB 4.32Å; Y197-F547 HydrophobicContact CD2-CD2 4.11Å; Y197-F547 AromaticContact CE2-CD2 3.83Å; Y197-F547 HydrophobicContact CE2-CD2 3.83Å; P504-F547 HydrophobicContact CB-CD1 4.42Å; P504-F547 HydrophobicContact CB-CE1 3.72Å; P504-F547 HydrophobicContact CB-CE2 3.93Å; P504-F547 HydrophobicContact CB-CZ 3.46Å; P504-F547 VanDerWaalsContact CB-CZ 3.46Å; P504-F547 WeakPolarHBondContact O-CZ 3.35Å; C507-F547 HydrophobicContact CB-CE1 4.31Å; C507-F547 HydrophobicContact CB-CZ 4.48Å; F521-F547 AromaticContact CD1-CD1 3.7Å; F521-F547 HydrophobicContact CD1-CD1 3.7Å; F521-F547 HydrophobicContact CD1-CE1 4.19Å; F521-F547 HydrophobicContact CD2-CD1 4.49Å; F521-F547 HydrophobicContact CD2-CE1 4.18Å; F521-F547 AromaticContact CE1-CD1 3.88Å; F521-F547 HydrophobicContact CE1-CD1 3.88Å; F521-F547 HydrophobicContact CE1-CE1 4.43Å; F521-F547 HydrophobicContact CE2-CE1 4.41Å; F521-F547 HydrophobicContact CG-CD1 4.04Å; F521-F547 HydrophobicContact CG-CE1 4.07Å; F521-F547 HydrophobicContact CZ-CD1 4.35Å; R537-F547 HydrophobicContact CG-CD2 4.33Å; I543-F547 VanDerWaalsContact O-CB 3.23Å; I543-F547 WeakPolarHBondContact O-CB 3.47Å; I543-F547 PolarHBondContact O-N 3.03Å; F547-Q549 VanDerWaalsContact C-N 3.26Å; F547-Q549 PolarHBondContact O-N 2.93Å; F547-S550 PolarHBondContact O-N 2.86Å; F547-S550 VanDerWaalsContact O-N 3.13Å; F547-E551 HydrophobicContact CD2-CG 3.85Å; F547-E551 HydrophobicContact CE2-CB 4.28Å; F547-E551 HydrophobicContact CE2-CG 3.42Å; F547-E551 VanDerWaalsContact CE2-CG 3.42Å; F547-E551 HydrophobicContact CZ-CB 4.39Å; F547-E551 HydrophobicContact CZ-CG 3.95Å; F547-E551 PolarHBondContact O-N 2.85Å; F547-I553 HydrophobicContact CD1-CD1 4.15Å; F547-I553 HydrophobicContact CE1-CD1 3.45Å; F547-I553 VanDerWaalsContact CE1-CD1 3.45Å; F547-I553 HydrophobicContact CZ-CD1 3.88Å
548A97.3Very high96.1Very high0 Ų015.1 Ų15.10%08%0.08CC..Hα-helixtrans-60.6-37-18000000112.3A544 I545 N552 I553 I556 L578A544-A548 VanDerWaalsContact O-CB 3.3Å; A544-A548 WeakPolarHBondContact O-CB 3.28Å; A544-A548 PolarHBondContact O-N 2.93Å; I545-A548 PolarHBondContact O-N 2.94Å; A548-N552 PolarHBondContact O-N 3.01Å; A548-I553 HydrophobicContact CB-CB 4.13Å; A548-I553 HydrophobicContact CB-CG2 4.21Å; A548-I553 PolarHBondContact O-N 3.01Å; A548-I556 HydrophobicContact CB-CG2 3.89Å; A548-L578 HydrophobicContact CB-CD1 4.01Å; A548-L578 HydrophobicContact CB-CD2 4.15Å
549Q95.6Very high96.2Very high92 Ų9214.9 Ų14.943%0.438%0.078SC..Hα-helixtrans-65.4-48.5173.5-175176.531.200111.7I545 S546 F547 N552 L578I545-Q549 WeakPolarHBondContact O-CB 3.5Å; I545-Q549 PolarHBondContact O-N 2.85Å; S546-Q549 PolarHBondContact O-N 3.49Å; F547-Q549 VanDerWaalsContact C-N 3.26Å; F547-Q549 PolarHBondContact O-N 2.93Å; Q549-N552 PolarHBondContact O-N 3.05Å; Q549-L578 HydrophobicContact CB-CD1 4.44Å
550S93.9Very high96.4Very high44 Ų4413 Ų1331%0.3087%0.069SC..Hα-helixtrans-68.3-40.6-175.3-65.40000113.7Y197 S546 F547 N552Y197-S550 WeakPolarHBondContact CD1-OG 3.38Å; Y197-S550 VanDerWaalsContact CE1-CB 3.49Å; Y197-S550 PolarHBondContact O-OG 2.95Å; S546-S550 WeakPolarHBondContact O-CB 3.45Å; S546-S550 PolarHBondContact O-N 2.63Å; S546-S550 PolarHBondContact O-OG 2.66Å; S546-S550 VanDerWaalsContact O-OG 3.11Å; F547-S550 PolarHBondContact O-N 2.86Å; F547-S550 VanDerWaalsContact O-N 3.13Å; S550-N552 PolarHBondContact O-N 2.94Å
551E93.7Very high96.4Very high24 Ų2413.2 Ų13.211%0.1127%0.069CC..THydrogen-bonded Turntrans-8611.5177.9-66-70144.400112.7R132 Y197 T508 F547 I553R132-E551 IonicContact CZ-OE1 3.85Å; R132-E551 IonicContact CZ-OE2 3.22Å; R132-E551 IonicContact NH1-OE1 3.24Å; R132-E551 PolarHBondContact NH1-OE1 3.4Å; R132-E551 IonicContact NH1-OE2 3.25Å; R132-E551 IonicContact NH2-OE1 2.68Å; R132-E551 IonicContact NH2-OE2 2.66Å; R132-E551 PolarHBondContact NH2-OE2 3.41Å; Y197-E551 PolarHBondContact OH-OE1 2.91Å; T508-E551 WeakPolarHBondContact CG2-OE2 3.34Å; T508-E551 WeakPolarHBondContact OG1-CG 3.37Å; T508-E551 PolarHBondContact OG1-OE2 2.82Å; F547-E551 HydrophobicContact CD2-CG 3.85Å; F547-E551 HydrophobicContact CE2-CB 4.28Å; F547-E551 HydrophobicContact CE2-CG 3.42Å; F547-E551 VanDerWaalsContact CE2-CG 3.42Å; F547-E551 HydrophobicContact CZ-CB 4.39Å; F547-E551 HydrophobicContact CZ-CG 3.95Å; F547-E551 PolarHBondContact O-N 2.85Å; E551-I553 VanDerWaalsContact C-N 3.26Å; E551-I553 HydrophobicContact CB-CD1 3.96Å; E551-I553 HydrophobicContact CB-CG1 4.12Å; E551-I553 PolarHBondContact O-N 3.43Å
552N93.4Very high96.3Very high48 Ų4813.4 Ų13.426%0.2577%0.07SC..THydrogen-bonded Turntrans52.143.9177.5-168.531.2000113D121 K312 R511 A548 Q549 S550D121-N552 PolarHBondContact OD1-ND2 2.68Å; K312-N552 WeakPolarHBondContact CD-O 3.42Å; K312-N552 VanDerWaalsContact CD-OD1 3.25Å; K312-N552 WeakPolarHBondContact CD-OD1 3.37Å; K312-N552 WeakPolarHBondContact CE-OD1 3.46Å; K312-N552 PolarHBondContact NZ-OD1 3.13Å; R511-N552 PolarHBondContact NE-O 3.28Å; A548-N552 PolarHBondContact O-N 3.01Å; Q549-N552 PolarHBondContact O-N 3.05Å; S550-N552 PolarHBondContact O-N 2.94Å
553I96.1Very high96.3Very high0 Ų011.5 Ų11.50%06%0.061CC..  trans-81.6155.7174.6-68.9170.2000108.8K312 C507 R511 I519 F521 F547 A548 E551 G555K312-I553 PolarHBondContact NZ-O 3.14Å; C507-I553 HydrophobicContact CB-CD1 3.7Å; R511-I553 HydrophobicContact CG-CG1 4Å; I519-I553 HydrophobicContact CG2-CG1 4.37Å; I519-I553 HydrophobicContact CG2-CG2 4.23Å; I519-I553 WeakPolarHBondContact O-CG2 3.32Å; F521-I553 HydrophobicContact CB-CG2 4.48Å; F547-I553 HydrophobicContact CD1-CD1 4.15Å; F547-I553 HydrophobicContact CE1-CD1 3.45Å; F547-I553 VanDerWaalsContact CE1-CD1 3.45Å; F547-I553 HydrophobicContact CZ-CD1 3.88Å; A548-I553 HydrophobicContact CB-CB 4.13Å; A548-I553 HydrophobicContact CB-CG2 4.21Å; A548-I553 PolarHBondContact O-N 3.01Å; E551-I553 VanDerWaalsContact C-N 3.26Å; E551-I553 HydrophobicContact CB-CD1 3.96Å; E551-I553 HydrophobicContact CB-CG1 4.12Å; E551-I553 PolarHBondContact O-N 3.43Å; I553-G555 VanDerWaalsContact C-N 3.32Å; I553-G555 WeakPolarHBondContact CG2-O 3.47Å; I553-G555 PolarHBondContact O-N 2.96Å
554L97.6Very high96.4Very high4 Ų413.8 Ų13.82%0.0217%0.073CC..SBendtrans-64-40.9-177.4178.267.9000111.6W314 P518 I519 L520 V579W314-L554 HydrophobicContact CB-CD1 4.26Å; W314-L554 HydrophobicContact CE3-CD2 4.37Å; P518-L554 HydrophobicContact CB-CB 3.71Å; P518-L554 HydrophobicContact CB-CD1 4.41Å; P518-L554 HydrophobicContact CB-CD2 3.48Å; P518-L554 VanDerWaalsContact CB-CD2 3.48Å; P518-L554 HydrophobicContact CB-CG 4.03Å; P518-L554 HydrophobicContact CG-CD2 3.89Å; I519-L554 WeakPolarHBondContact O-CB 3.29Å; I519-L554 PolarHBondContact O-N 2.85Å; I519-L554 VanDerWaalsContact O-N 3.11Å; L520-L554 HydrophobicContact CD2-CB 4.37Å; L520-L554 HydrophobicContact CD2-CD2 4.18Å; L520-L554 HydrophobicContact CD2-CG 4.33Å; L554-V579 HydrophobicContact CD1-CG2 3.89Å; L554-V579 HydrophobicContact CD2-CG2 4.26Å; L554-V579 HydrophobicContact CG-CB 4.18Å; L554-V579 HydrophobicContact CG-CG2 3.82Å; L554-V579 PolarHBondContact O-N 2.78Å; L554-V579 VanDerWaalsContact O-N 3.09Å
555G98.2Very high96.3Very high0 Ų018.8 Ų18.80%010%0.095CC..EExtended strand (participates in β ladder)trans177.8-166.8-171.800000113.6L520 F521 I553 V579L520-G555 WeakPolarHBondContact CA-O 3.45Å; F521-G555 PolarHBondContact N-O 2.88Å; I553-G555 VanDerWaalsContact C-N 3.32Å; I553-G555 WeakPolarHBondContact CG2-O 3.47Å; I553-G555 PolarHBondContact O-N 2.96Å; G555-V579 CarbonylContact C-O 3.55Å; G555-V579 WeakPolarHBondContact CA-O 3.45Å
556I98.6Very high96.2Very high1 Ų122.3 Ų22.31%0.00511%0.111CC..EExtended strand (participates in β ladder)trans-118.6152.6176.761.8168.6000110.6F521 T541 A544 I545 A548 A558 V579 V580 F581F521-I556 HydrophobicContact CB-CG2 4.49Å; F521-I556 CarbonylContact O-C 3.58Å; F521-I556 VanDerWaalsContact O-CA 3.28Å; F521-I556 WeakPolarHBondContact O-CA 2.93Å; T541-I556 HydrophobicContact CG2-CD1 4.11Å; A544-I556 HydrophobicContact CB-CG2 4.45Å; I545-I556 HydrophobicContact CD1-CD1 4.31Å; I545-I556 HydrophobicContact CG1-CD1 3.65Å; A548-I556 HydrophobicContact CB-CG2 3.89Å; I556-A558 HydrophobicContact CD1-CB 4.18Å; I556-V579 PolarHBondContact N-O 2.82Å; I556-V580 HydrophobicContact CG1-CG1 4.35Å; I556-V580 HydrophobicContact CG1-CG2 4.43Å; I556-F581 PolarHBondContact O-N 2.85Å
557S98.5Very high96.2Very high0 Ų024.3 Ų24.30%012%0.121CC..EExtended strand (participates in β ladder)trans-118.1101.8165.6-178.90000107.8F521 L522 T523 F581 W583F521-S557 PolarHBondContact O-N 2.8Å; L522-S557 WeakPolarHBondContact CA-O 3.3Å; L522-S557 VanDerWaalsContact CD2-CB 3.48Å; L522-S557 WeakPolarHBondContact CD2-OG 3.18Å; T523-S557 PolarHBondContact N-O 2.94Å; S557-F581 CarbonylContact C-O 3.49Å; S557-F581 WeakPolarHBondContact CA-O 3.35Å; S557-W583 PolarHBondContact O-NE1 2.81Å; S557-W583 VanDerWaalsContact O-NE1 3.13Å
558A98Very high96.1Very high0 Ų029 Ų290%015%0.146CC..EExtended strand (participates in β ladder)trans-102.3145.2-168.500000112.5T523 I556 T560 L563 F581 S582 W583T523-A558 HydrophobicContact CG2-CB 3.73Å; T523-A558 CarbonylContact O-C 3.44Å; T523-A558 WeakPolarHBondContact O-CA 3.29Å; I556-A558 HydrophobicContact CD1-CB 4.18Å; A558-T560 PolarHBondContact O-N 3.33Å; A558-L563 HydrophobicContact CB-CD1 3.87Å; A558-L563 HydrophobicContact CB-CD2 4Å; A558-L563 HydrophobicContact CB-CG 3.87Å; A558-F581 PolarHBondContact N-O 2.87Å; A558-S582 VanDerWaalsContact O-CA 3.23Å; A558-S582 WeakPolarHBondContact O-CA 3.45Å; A558-W583 PolarHBondContact O-N 2.86Å; A558-W583 VanDerWaalsContact O-N 3.17Å
559H97.3Very high96.1Very high0 Ų030 Ų300%015%0.15CC..EExtended strand (participates in β ladder)trans-66.1134179.8-172.2-108.4000111.6T523 Y530 E561 E562 L563 W583T523-H559 PolarHBondContact O-N 2.89Å; Y530-H559 AromaticContact CE2-CD2 4Å; Y530-H559 AromaticContact CE2-CE1 3.92Å; Y530-H559 AromaticContact CE2-NE2 3.59Å; H559-E561 VanDerWaalsContact C-N 3.28Å; H559-E561 WeakPolarHBondContact CE1-CB 3.42Å; H559-E561 IonicContact CE1-OE2 3.88Å; H559-E561 VanDerWaalsContact ND1-CB 3.26Å; H559-E561 WeakPolarHBondContact ND1-CB 3.48Å; H559-E561 IonicContact ND1-OE2 2.85Å; H559-E561 PolarHBondContact O-N 3.38Å; H559-E562 PolarHBondContact O-N 3.23Å; H559-L563 PolarHBondContact O-N 2.79Å; H559-W583 HydrophobicContact CB-CH2 4.23Å; H559-W583 HydrophobicContact CB-CZ2 3.67Å; H559-W583 AromaticContact CD2-CD2 4Å; H559-W583 AromaticContact CD2-CE2 3.99Å; H559-W583 AromaticContact CD2-CE3 3.73Å; H559-W583 AromaticContact CD2-CH2 3.44Å; H559-W583 VanDerWaalsContact CD2-CH2 3.44Å; H559-W583 WeakPolarHBondContact CD2-CH2 3.43Å; H559-W583 AromaticContact CD2-CZ2 3.73Å; H559-W583 AromaticContact CD2-CZ3 3.44Å; H559-W583 VanDerWaalsContact CD2-CZ3 3.44Å; H559-W583 WeakPolarHBondContact CD2-CZ3 3.32Å
560T96.1Very high96.2Very high0 Ų025.6 Ų25.60%013%0.13CC..Hα-helixtrans-65.2-32-169.6-590000112.6A558 E562 L563 L564 S582 W583 D586 N587 L596A558-T560 PolarHBondContact O-N 3.33Å; T560-E562 VanDerWaalsContact C-N 3.31Å; T560-E562 PolarHBondContact O-N 2.8Å; T560-L563 PolarHBondContact O-N 2.66Å; T560-L564 HydrophobicContact CG2-CD1 3.75Å; T560-L564 HydrophobicContact CG2-CG 3.87Å; T560-L564 WeakPolarHBondContact O-CB 3.33Å; T560-L564 VanDerWaalsContact O-CG 3.31Å; T560-L564 WeakPolarHBondContact O-CG 3.28Å; T560-L564 PolarHBondContact O-N 3.47Å; T560-S582 WeakPolarHBondContact OG1-CB 3.16Å; T560-W583 WeakPolarHBondContact CB-O 3.3Å; T560-W583 PolarHBondContact N-O 2.77Å; T560-W583 PolarHBondContact OG1-O 2.89Å; T560-D586 HydrophobicContact CG2-CB 3.68Å; T560-N587 WeakPolarHBondContact CG2-OD1 3.33Å; T560-N587 PolarHBondContact OG1-ND2 3.27Å; T560-N587 PolarHBondContact OG1-OD1 2.93Å; T560-L596 HydrophobicContact CG2-CD1 4.05Å
561E94.8Very high96.4Very high18 Ų1825.4 Ų25.48%0.08414%0.135CC..Hα-helixtrans-54.3-46.2177-174-159.8161.900112S527 E528 H559 K565S527-E561 WeakPolarHBondContact CB-OE2 3.21Å; S527-E561 PolarHBondContact OG-OE2 2.88Å; E528-E561 PolarHBondContact N-OE1 2.68Å; H559-E561 VanDerWaalsContact C-N 3.28Å; H559-E561 WeakPolarHBondContact CE1-CB 3.42Å; H559-E561 IonicContact CE1-OE2 3.88Å; H559-E561 VanDerWaalsContact ND1-CB 3.26Å; H559-E561 WeakPolarHBondContact ND1-CB 3.48Å; H559-E561 IonicContact ND1-OE2 2.85Å; H559-E561 PolarHBondContact O-N 3.38Å; E561-K565 WeakPolarHBondContact O-CG 3.49Å; E561-K565 PolarHBondContact O-N 2.79Å; E561-K565 IonicContact OE1-NZ 3.62Å; E561-K565 PolarHBondContact OE1-NZ 3.07Å
562E93.9Very high96.5Very high4 Ų427.1 Ų27.12%0.01914%0.142CC..Hα-helixtrans-77.8-40.2-177.8-168.1-179-150.800111.2G525 I526 T541 H559 T560 L564 K565 H566 Y569G525-E562 VanDerWaalsContact CA-OE2 3.25Å; G525-E562 WeakPolarHBondContact CA-OE2 3.17Å; I526-E562 VanDerWaalsContact N-CD 3.34Å; I526-E562 PolarHBondContact N-OE1 3.28Å; I526-E562 VanDerWaalsContact N-OE1 3.11Å; I526-E562 PolarHBondContact N-OE2 2.97Å; T541-E562 WeakPolarHBondContact CB-OE2 3.32Å; T541-E562 PolarHBondContact OG1-OE2 3.29Å; H559-E562 PolarHBondContact O-N 3.23Å; T560-E562 VanDerWaalsContact C-N 3.31Å; T560-E562 PolarHBondContact O-N 2.8Å; E562-L564 VanDerWaalsContact C-N 3.31Å; E562-L564 PolarHBondContact O-N 2.75Å; E562-K565 WeakPolarHBondContact O-CB 3.3Å; E562-K565 PolarHBondContact O-N 2.78Å; E562-K565 VanDerWaalsContact O-N 3.1Å; E562-H566 PolarHBondContact O-N 3.45Å; E562-Y569 HydrophobicContact CG-CE2 4.29Å
563L95.8Very high96.7Very high0 Ų024.8 Ų24.80%013%0.13CC..Hα-helixtrans-59.6-40.4176.8-72.8-178.7000112.2A558 H559 T560 K565 H566 L567 I570 L596 I601A558-L563 HydrophobicContact CB-CD1 3.87Å; A558-L563 HydrophobicContact CB-CD2 4Å; A558-L563 HydrophobicContact CB-CG 3.87Å; H559-L563 PolarHBondContact O-N 2.79Å; T560-L563 PolarHBondContact O-N 2.66Å; L563-K565 VanDerWaalsContact C-N 3.29Å; L563-K565 PolarHBondContact O-N 3.38Å; L563-H566 CarbonylContact O-C 3.53Å; L563-H566 PolarHBondContact O-N 2.73Å; L563-H566 VanDerWaalsContact O-N 3.14Å; L563-L567 WeakPolarHBondContact O-CA 3.39Å; L563-L567 WeakPolarHBondContact O-CD2 2.98Å; L563-L567 PolarHBondContact O-N 2.77Å; L563-I570 HydrophobicContact CD2-CG1 4.21Å; L563-L596 HydrophobicContact CB-CD2 4.38Å; L563-I601 HydrophobicContact CD1-CD1 4.29Å
564L96.2Very high96.7Very high49 Ų4927.8 Ų27.826%0.25714%0.144SC..Hα-helixtrans-66.6-31177.2-71.1175.9000112.5T560 E562 D586 N592 L596T560-L564 HydrophobicContact CG2-CD1 3.75Å; T560-L564 HydrophobicContact CG2-CG 3.87Å; T560-L564 WeakPolarHBondContact O-CB 3.33Å; T560-L564 VanDerWaalsContact O-CG 3.31Å; T560-L564 WeakPolarHBondContact O-CG 3.28Å; T560-L564 PolarHBondContact O-N 3.47Å; E562-L564 VanDerWaalsContact C-N 3.31Å; E562-L564 PolarHBondContact O-N 2.75Å; L564-D586 HydrophobicContact CD1-CB 4.14Å; L564-N592 HydrophobicContact CD1-CB 4.08Å; L564-N592 HydrophobicContact CD2-CB 4.3Å; L564-L596 HydrophobicContact CD2-CD2 4.2Å; L564-L596 HydrophobicContact CD2-CG 4.31Å
565K95.4Very high96.7Very high105 Ų10532.2 Ų32.246%0.45718%0.175SC..Hα-helixtrans-73.3-30.8172.5-65.6173-168.5175.20111.4E528 E561 E562 L563E528-K565 IonicContact OE1-NZ 3.74Å; E528-K565 PolarHBondContact OE1-NZ 3.01Å; E561-K565 WeakPolarHBondContact O-CG 3.49Å; E561-K565 PolarHBondContact O-N 2.79Å; E561-K565 IonicContact OE1-NZ 3.62Å; E561-K565 PolarHBondContact OE1-NZ 3.07Å; E562-K565 WeakPolarHBondContact O-CB 3.3Å; E562-K565 PolarHBondContact O-N 2.78Å; E562-K565 VanDerWaalsContact O-N 3.1Å; L563-K565 VanDerWaalsContact C-N 3.29Å; L563-K565 PolarHBondContact O-N 3.38Å
566H95.8Very high96.6Very high73 Ų7335 Ų3534%0.33819%0.187SC..  trans-13663.9-172.3-60.8-65.9000113.2E562 L563 N568 Y569E562-H566 PolarHBondContact O-N 3.45Å; L563-H566 CarbonylContact O-C 3.53Å; L563-H566 PolarHBondContact O-N 2.73Å; L563-H566 VanDerWaalsContact O-N 3.14Å; H566-N568 PolarHBondContact O-N 2.81Å; H566-Y569 HydrophobicContact CB-CD1 4.15Å; H566-Y569 HydrophobicContact CB-CD2 3.55Å; H566-Y569 HydrophobicContact CB-CE1 3.9Å; H566-Y569 HydrophobicContact CB-CE2 3.31Å; H566-Y569 HydrophobicContact CB-CG 3.95Å; H566-Y569 VanDerWaalsContact CB-CZ 3.46Å; H566-Y569 AromaticContact CD2-CE2 3.83Å; H566-Y569 AromaticContact CD2-CZ 3.94Å; H566-Y569 AromaticContact CG-CE2 3.68Å; H566-Y569 AromaticContact CG-CZ 3.58Å; H566-Y569 WeakPolarHBondContact O-CB 3.25Å; H566-Y569 PolarHBondContact O-N 2.86Å
567L96.4Very high96.4Very high49 Ų4937.8 Ų37.826%0.25722%0.217SC..THydrogen-bonded Turntrans-56.5-25.2-177.8-69.1174000113.6L563 Y569 I570 L596 Q599L563-L567 WeakPolarHBondContact O-CA 3.39Å; L563-L567 WeakPolarHBondContact O-CD2 2.98Å; L563-L567 PolarHBondContact O-N 2.77Å; L567-Y569 PolarHBondContact O-N 2.82Å; L567-I570 HydrophobicContact CD2-CD1 4.49Å; L567-I570 PolarHBondContact O-N 3.08Å; L567-L596 HydrophobicContact CD2-CD2 4.08Å; L567-Q599 HydrophobicContact CB-CG 4.08Å; L567-Q599 HydrophobicContact CD1-CG 4.06Å; L567-Q599 HydrophobicContact CD2-CG 4.06Å; L567-Q599 HydrophobicContact CG-CG 4.29Å
568N96.6Very high96.4Very high99 Ų9938.1 Ų38.153%0.52922%0.218SC..Hα-helixtrans-62.9-20176.965.3-74.2000113.8H566 I570 G571 E572H566-N568 PolarHBondContact O-N 2.81Å; N568-I570 PolarHBondContact O-N 3.11Å; N568-G571 PolarHBondContact O-N 3.11Å; N568-E572 PolarHBondContact O-N 3.18Å
569Y96.9Very high96.4Very high20 Ų2038.5 Ų38.58%0.07822%0.22CC..Hα-helixtrans-65-28.5176.7-64.8-14.6000112.7T541 Q542 E562 H566 L567 E572 A573T541-Y569 HydrophobicContact CG2-CD2 3.64Å; T541-Y569 HydrophobicContact CG2-CE2 4.36Å; T541-Y569 HydrophobicContact CG2-CG 4.13Å; Q542-Y569 HydrophobicContact CG-CE1 4.5Å; Q542-Y569 PolarHBondContact NE2-OH 2.68Å; E562-Y569 HydrophobicContact CG-CE2 4.29Å; H566-Y569 HydrophobicContact CB-CD1 4.15Å; H566-Y569 HydrophobicContact CB-CD2 3.55Å; H566-Y569 HydrophobicContact CB-CE1 3.9Å; H566-Y569 HydrophobicContact CB-CE2 3.31Å; H566-Y569 HydrophobicContact CB-CG 3.95Å; H566-Y569 VanDerWaalsContact CB-CZ 3.46Å; H566-Y569 AromaticContact CD2-CE2 3.83Å; H566-Y569 AromaticContact CD2-CZ 3.94Å; H566-Y569 AromaticContact CG-CE2 3.68Å; H566-Y569 AromaticContact CG-CZ 3.58Å; H566-Y569 WeakPolarHBondContact O-CB 3.25Å; H566-Y569 PolarHBondContact O-N 2.86Å; L567-Y569 PolarHBondContact O-N 2.82Å; Y569-E572 PolarHBondContact O-N 3.14Å; Y569-A573 WeakPolarHBondContact O-CB 3.35Å; Y569-A573 PolarHBondContact O-N 3.38Å
570I97.9Very high96.4Very high0 Ų038.5 Ų38.50%022%0.221CC..Hα-helixtrans-61.5-53.6175.2-59.3171.2000109.3L563 L567 N568 E572 A573 Q574 V580 L596 Q599 I601L563-I570 HydrophobicContact CD2-CG1 4.21Å; L567-I570 HydrophobicContact CD2-CD1 4.49Å; L567-I570 PolarHBondContact O-N 3.08Å; N568-I570 PolarHBondContact O-N 3.11Å; I570-E572 VanDerWaalsContact C-N 3.33Å; I570-E572 PolarHBondContact O-N 3.03Å; I570-A573 PolarHBondContact O-N 2.79Å; I570-Q574 WeakPolarHBondContact O-CB 3.19Å; I570-Q574 VanDerWaalsContact O-CG 3.32Å; I570-Q574 WeakPolarHBondContact O-CG 3.33Å; I570-Q574 PolarHBondContact O-N 2.98Å; I570-V580 HydrophobicContact CG1-CG1 4.34Å; I570-V580 HydrophobicContact CG2-CB 4.46Å; I570-L596 HydrophobicContact CD1-CD2 4.1Å; I570-Q599 HydrophobicContact CD1-CB 3.83Å; I570-I601 HydrophobicContact CD1-CB 4.43Å; I570-I601 HydrophobicContact CD1-CD1 4.47Å
571G97.1Very high96.6Very high40 Ų4038.5 Ų38.541%0.41222%0.221SC..Hα-helixtrans-63.9-3617800000113.2N568 S575N568-G571 PolarHBondContact O-N 3.11Å; G571-S575 WeakPolarHBondContact O-CB 3.02Å; G571-S575 PolarHBondContact O-N 3.45Å
572E96.7Very high96.7Very high59 Ų5937.7 Ų37.728%0.27622%0.217SC..Hα-helixtrans-61.3-51.8175.2-172.5-171.4149.500111.5N568 Y569 I570 Q574 S575 K576N568-E572 PolarHBondContact O-N 3.18Å; Y569-E572 PolarHBondContact O-N 3.14Å; I570-E572 VanDerWaalsContact C-N 3.33Å; I570-E572 PolarHBondContact O-N 3.03Å; E572-Q574 PolarHBondContact O-N 2.88Å; E572-S575 PolarHBondContact O-N 3.46Å; E572-S575 PolarHBondContact O-OG 2.66Å; E572-K576 PolarHBondContact O-N 3.37Å; E572-K576 IonicContact OE1-NZ 3.41Å; E572-K576 PolarHBondContact OE1-NZ 3.05Å; E572-K576 VanDerWaalsContact OE1-NZ 3.15Å
573A97.4Very high96.9Very high0 Ų039 Ų390%022%0.222CC..Hα-helixtrans-61.2-45.117900000111.6I545 Y569 I570 S575 K576 G577 L578 V580I545-A573 HydrophobicContact CD1-CB 3.9Å; I545-A573 HydrophobicContact CG1-CB 3.94Å; I545-A573 HydrophobicContact CG2-CB 4.39Å; Y569-A573 WeakPolarHBondContact O-CB 3.35Å; Y569-A573 PolarHBondContact O-N 3.38Å; I570-A573 PolarHBondContact O-N 2.79Å; A573-S575 VanDerWaalsContact C-N 3.31Å; A573-S575 PolarHBondContact O-N 3.4Å; A573-K576 CarbonylContact O-C 3.59Å; A573-K576 WeakPolarHBondContact O-CA 3.34Å; A573-K576 WeakPolarHBondContact O-CB 3.24Å; A573-K576 PolarHBondContact O-N 2.88Å; A573-G577 PolarHBondContact O-N 3.38Å; A573-L578 HydrophobicContact CB-CB 4.29Å; A573-L578 WeakPolarHBondContact O-CB 3.37Å; A573-L578 PolarHBondContact O-N 3.07Å; A573-L578 VanDerWaalsContact O-N 3.13Å; A573-V580 HydrophobicContact CB-CG2 3.47Å; A573-V580 VanDerWaalsContact CB-CG2 3.47Å
574Q96.8Very high96.8Very high63 Ų6339.8 Ų39.829%0.29423%0.229SC..Hα-helixtrans-63.9-35.2178.4-71.8176.9-20.700112.6I570 E572 K576 G577 L578 V580 G600 D602I570-Q574 WeakPolarHBondContact O-CB 3.19Å; I570-Q574 VanDerWaalsContact O-CG 3.32Å; I570-Q574 WeakPolarHBondContact O-CG 3.33Å; I570-Q574 PolarHBondContact O-N 2.98Å; E572-Q574 PolarHBondContact O-N 2.88Å; Q574-K576 PolarHBondContact O-N 2.83Å; Q574-G577 PolarHBondContact O-N 2.96Å; Q574-L578 WeakPolarHBondContact CA-O 3.42Å; Q574-V580 HydrophobicContact CG-CG2 4.19Å; Q574-G600 PolarHBondContact NE2-O 3.32Å; Q574-D602 PolarHBondContact NE2-OD2 2.7Å
575S96.7Very high96.5Very high97 Ų9741.9 Ų41.968%0.67824%0.241SC*.Hα-helixtrans-63.3-23173.879.40000113.2G571 E572 A573 G577G571-S575 WeakPolarHBondContact O-CB 3.02Å; G571-S575 PolarHBondContact O-N 3.45Å; E572-S575 PolarHBondContact O-N 3.46Å; E572-S575 PolarHBondContact O-OG 2.66Å; A573-S575 VanDerWaalsContact C-N 3.31Å; A573-S575 PolarHBondContact O-N 3.4Å; S575-G577 VanDerWaalsContact C-N 3.33Å
576K95.7Very high96.4Very high58 Ų5838.5 Ų38.525%0.25223%0.228SC..THydrogen-bonded Turntrans-89.96.2173.6-69.1170.6170.6172.60113I545 E572 A573 Q574 L578I545-K576 HydrophobicContact CG2-CD 3.41Å; I545-K576 VanDerWaalsContact CG2-CD 3.41Å; E572-K576 PolarHBondContact O-N 3.37Å; E572-K576 IonicContact OE1-NZ 3.41Å; E572-K576 PolarHBondContact OE1-NZ 3.05Å; E572-K576 VanDerWaalsContact OE1-NZ 3.15Å; A573-K576 CarbonylContact O-C 3.59Å; A573-K576 WeakPolarHBondContact O-CA 3.34Å; A573-K576 WeakPolarHBondContact O-CB 3.24Å; A573-K576 PolarHBondContact O-N 2.88Å; Q574-K576 PolarHBondContact O-N 2.83Å; K576-L578 HydrophobicContact CB-CD1 4.49Å; K576-L578 HydrophobicContact CB-CG 4.43Å
577G95.3Very high96.3Very high60 Ų6035 Ų3562%0.61921%0.212SC*.THydrogen-bonded Turntrans7720.3-179.800000114.1A573 Q574 S575A573-G577 PolarHBondContact O-N 3.38Å; Q574-G577 PolarHBondContact O-N 2.96Å; S575-G577 VanDerWaalsContact C-N 3.33Å
578L97.8Very high96Very high7 Ų734.5 Ų34.54%0.03721%0.209CC..  trans-96.8146.1179.5-61.2175.4000111.6I545 A548 Q549 A573 Q574 K576I545-L578 HydrophobicContact CG2-CD1 3.98Å; I545-L578 WeakPolarHBondContact O-CD1 3.29Å; A548-L578 HydrophobicContact CB-CD1 4.01Å; A548-L578 HydrophobicContact CB-CD2 4.15Å; Q549-L578 HydrophobicContact CB-CD1 4.44Å; A573-L578 HydrophobicContact CB-CB 4.29Å; A573-L578 WeakPolarHBondContact O-CB 3.37Å; A573-L578 PolarHBondContact O-N 3.07Å; A573-L578 VanDerWaalsContact O-N 3.13Å; Q574-L578 WeakPolarHBondContact CA-O 3.42Å; K576-L578 HydrophobicContact CB-CD1 4.49Å; K576-L578 HydrophobicContact CB-CG 4.43Å
579V98Very high95.7Very high7 Ų735.1 Ų35.14%0.04221%0.209CC..EExtended strand (participates in β ladder)trans-81.4143169.1178.80000109.6W314 L520 L554 G555 I556 F581 D602W314-V579 HydrophobicContact CB-CG2 3.51Å; W314-V579 HydrophobicContact CD2-CG1 3.98Å; W314-V579 HydrophobicContact CD2-CG2 3.94Å; W314-V579 HydrophobicContact CE3-CG1 4.45Å; W314-V579 HydrophobicContact CG-CG1 4.25Å; W314-V579 HydrophobicContact CG-CG2 3.42Å; W314-V579 VanDerWaalsContact CG-CG2 3.42Å; W314-V579 HydrophobicContact CZ2-CG1 4.32Å; L520-V579 HydrophobicContact CD2-CB 4.44Å; L554-V579 HydrophobicContact CD1-CG2 3.89Å; L554-V579 HydrophobicContact CD2-CG2 4.26Å; L554-V579 HydrophobicContact CG-CB 4.18Å; L554-V579 HydrophobicContact CG-CG2 3.82Å; L554-V579 PolarHBondContact O-N 2.78Å; L554-V579 VanDerWaalsContact O-N 3.09Å; G555-V579 CarbonylContact C-O 3.55Å; G555-V579 WeakPolarHBondContact CA-O 3.45Å; I556-V579 PolarHBondContact N-O 2.82Å; V579-F581 HydrophobicContact CG1-CD1 3.74Å; V579-F581 HydrophobicContact CG1-CE1 3.5Å; V579-F581 VanDerWaalsContact CG1-CE1 3.5Å; V579-D602 HydrophobicContact CG1-CB 3.53Å
580V98.4Very high95.4Very high1 Ų138.9 Ų38.91%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-123.6116.3179.7-172.10000111.2I556 I570 A573 Q574 I601 D602 G603I556-V580 HydrophobicContact CG1-CG1 4.35Å; I556-V580 HydrophobicContact CG1-CG2 4.43Å; I570-V580 HydrophobicContact CG1-CG1 4.34Å; I570-V580 HydrophobicContact CG2-CB 4.46Å; A573-V580 HydrophobicContact CB-CG2 3.47Å; A573-V580 VanDerWaalsContact CB-CG2 3.47Å; Q574-V580 HydrophobicContact CG-CG2 4.19Å; V580-I601 HydrophobicContact CG1-CG1 4.44Å; V580-I601 WeakPolarHBondContact O-CG1 3.44Å; V580-D602 PolarHBondContact N-OD2 3.17Å; V580-D602 WeakPolarHBondContact O-CB 3.31Å; V580-D602 PolarHBondContact O-N 3.16Å; V580-G603 PolarHBondContact O-N 2.83Å
581F98.6Very high95.2Very high0 Ų043.5 Ų43.50%025%0.249CC..EExtended strand (participates in β ladder)trans-103.5154.7169-78.236.6000109.2W314 V320 V322 I498 L520 I556 S557 A558 V579 D602 G603 I605W314-F581 AromaticContact CH2-CE1 3.6Å; W314-F581 HydrophobicContact CH2-CE1 3.6Å; W314-F581 AromaticContact CH2-CZ 3.43Å; W314-F581 HydrophobicContact CH2-CZ 3.43Å; W314-F581 VanDerWaalsContact CH2-CZ 3.43Å; W314-F581 AromaticContact CZ2-CE1 3.78Å; W314-F581 HydrophobicContact CZ2-CE1 3.78Å; W314-F581 HydrophobicContact CZ2-CZ 4.07Å; W314-F581 HydrophobicContact CZ3-CE1 4.18Å; W314-F581 AromaticContact CZ3-CZ 3.95Å; W314-F581 HydrophobicContact CZ3-CZ 3.95Å; V320-F581 HydrophobicContact CG2-CE1 4.45Å; V320-F581 HydrophobicContact CG2-CE2 4.23Å; V320-F581 HydrophobicContact CG2-CZ 3.84Å; V322-F581 HydrophobicContact CG2-CD2 4.45Å; V322-F581 HydrophobicContact CG2-CE2 4.01Å; I498-F581 HydrophobicContact CD1-CE2 4.41Å; I498-F581 HydrophobicContact CD1-CZ 4.05Å; L520-F581 HydrophobicContact CD1-CB 4.26Å; L520-F581 HydrophobicContact CD1-CD1 3.98Å; L520-F581 HydrophobicContact CD1-CD2 3.72Å; L520-F581 HydrophobicContact CD1-CE1 4.21Å; L520-F581 HydrophobicContact CD1-CE2 3.95Å; L520-F581 HydrophobicContact CD1-CG 3.73Å; L520-F581 HydrophobicContact CD1-CZ 4.18Å; I556-F581 PolarHBondContact O-N 2.85Å; S557-F581 CarbonylContact C-O 3.49Å; S557-F581 WeakPolarHBondContact CA-O 3.35Å; A558-F581 PolarHBondContact N-O 2.87Å; V579-F581 HydrophobicContact CG1-CD1 3.74Å; V579-F581 HydrophobicContact CG1-CE1 3.5Å; V579-F581 VanDerWaalsContact CG1-CE1 3.5Å; F581-D602 HydrophobicContact CD1-CB 4.26Å; F581-D602 HydrophobicContact CE1-CB 4.19Å; F581-G603 CarbonylContact C-O 3.54Å; F581-G603 VanDerWaalsContact CA-O 3.27Å; F581-G603 WeakPolarHBondContact CA-O 3.26Å; F581-I605 HydrophobicContact CD2-CD1 4.22Å; F581-I605 HydrophobicContact CD2-CG1 4.27Å
582S98.1Very high95.1Very high0 Ų042.3 Ų42.30%023%0.233CC..EExtended strand (participates in β ladder)trans-117.4151.3164.574.20000112.6A558 T560 N587 G603 L604 I605A558-S582 VanDerWaalsContact O-CA 3.23Å; A558-S582 WeakPolarHBondContact O-CA 3.45Å; T560-S582 WeakPolarHBondContact OG1-CB 3.16Å; S582-N587 PolarHBondContact O-ND2 3.16Å; S582-N587 PolarHBondContact OG-ND2 3.13Å; S582-N587 PolarHBondContact OG-OD1 3.36Å; S582-G603 PolarHBondContact N-O 2.7Å; S582-L604 WeakPolarHBondContact OG-CD2 3.38Å; S582-I605 WeakPolarHBondContact O-CB 3.49Å; S582-I605 PolarHBondContact O-N 2.99Å
583W97.1Very high95Very high33 Ų3340.7 Ų40.713%0.12522%0.224CC..EExtended strand (participates in β ladder)trans-139.4168.6174.266.4-85.2000111.2F502 T523 Q524 Y530 S557 A558 H559 T560 N587 I605F502-W583 HydrophobicContact CE1-CH2 4.19Å; F502-W583 AromaticContact CE1-CZ2 3.6Å; F502-W583 HydrophobicContact CE1-CZ2 3.6Å; F502-W583 AromaticContact CZ-CE2 3.92Å; F502-W583 AromaticContact CZ-CH2 3.76Å; F502-W583 HydrophobicContact CZ-CH2 3.76Å; F502-W583 AromaticContact CZ-CZ2 3.43Å; F502-W583 HydrophobicContact CZ-CZ2 3.43Å; F502-W583 VanDerWaalsContact CZ-CZ2 3.43Å; F502-W583 HydrophobicContact CZ-CZ3 4.49Å; T523-W583 PolarHBondContact O-NE1 2.7Å; Q524-W583 HydrophobicContact CB-CZ2 4.31Å; Y530-W583 HydrophobicContact CE2-CH2 4.11Å; Y530-W583 HydrophobicContact CE2-CZ3 4.34Å; S557-W583 PolarHBondContact O-NE1 2.81Å; S557-W583 VanDerWaalsContact O-NE1 3.13Å; A558-W583 PolarHBondContact O-N 2.86Å; A558-W583 VanDerWaalsContact O-N 3.17Å; H559-W583 HydrophobicContact CB-CH2 4.23Å; H559-W583 HydrophobicContact CB-CZ2 3.67Å; H559-W583 AromaticContact CD2-CD2 4Å; H559-W583 AromaticContact CD2-CE2 3.99Å; H559-W583 AromaticContact CD2-CE3 3.73Å; H559-W583 AromaticContact CD2-CH2 3.44Å; H559-W583 VanDerWaalsContact CD2-CH2 3.44Å; H559-W583 WeakPolarHBondContact CD2-CH2 3.43Å; H559-W583 AromaticContact CD2-CZ2 3.73Å; H559-W583 AromaticContact CD2-CZ3 3.44Å; H559-W583 VanDerWaalsContact CD2-CZ3 3.44Å; H559-W583 WeakPolarHBondContact CD2-CZ3 3.32Å; T560-W583 WeakPolarHBondContact CB-O 3.3Å; T560-W583 PolarHBondContact N-O 2.77Å; T560-W583 PolarHBondContact OG1-O 2.89Å; W583-N587 WeakPolarHBondContact CA-ND2 3.35Å; W583-N587 PolarHBondContact N-ND2 3.06Å; W583-I605 HydrophobicContact CB-CB 4.12Å; W583-I605 HydrophobicContact CB-CD1 4.26Å
584G93.6Very high94.9Very high15 Ų1545.9 Ų45.916%0.15524%0.243CC..SBendtrans107.6163.9176.900000113.6D586 N587G584-D586 PolarHBondContact O-N 3.31Å; G584-N587 WeakPolarHBondContact O-CB 3.3Å; G584-N587 PolarHBondContact O-N 3.19Å
585D90.9Very high94.9Very high93 Ų9347.6 Ų47.650%0.49725%0.25SC..G310 helixtrans-55.1-32.2-168.8-60.7-21.7000114N587 N588D585-N587 PolarHBondContact O-N 3.01Å; D585-N587 VanDerWaalsContact O-N 3.15Å; D585-N588 VanDerWaalsContact O-CB 3.3Å; D585-N588 WeakPolarHBondContact O-CB 3.15Å; D585-N588 PolarHBondContact O-N 2.94Å
586D92.8Very high94.9Very high35 Ų3543 Ų4319%0.18722%0.218CC..G310 helixtrans-65.7-18.3-177.5-54.9-53.7000112K529 T560 L564 G584 N588 E589 N592K529-D586 VanDerWaalsContact NZ-CG 3.32Å; K529-D586 IonicContact NZ-OD1 2.73Å; K529-D586 PolarHBondContact NZ-OD1 3.33Å; K529-D586 VanDerWaalsContact NZ-OD1 3.16Å; K529-D586 IonicContact NZ-OD2 3.46Å; K529-D586 PolarHBondContact NZ-OD2 3.43Å; T560-D586 HydrophobicContact CG2-CB 3.68Å; L564-D586 HydrophobicContact CD1-CB 4.14Å; G584-D586 PolarHBondContact O-N 3.31Å; D586-N588 VanDerWaalsContact C-N 3.27Å; D586-N588 PolarHBondContact O-N 3.11Å; D586-E589 PolarHBondContact O-N 3.47Å; D586-N592 VanDerWaalsContact O-CB 3.32Å; D586-N592 WeakPolarHBondContact O-CB 3.32Å; D586-N592 PolarHBondContact O-ND2 2.72Å
587N93.4Very high95Very high0 Ų044.1 Ų44.10%022%0.221CC..G310 helixtrans-71.2-18.2171.2-81.5-19.2000113.4T560 S582 W583 G584 D585 E589 R593 L596 I605T560-N587 WeakPolarHBondContact CG2-OD1 3.33Å; T560-N587 PolarHBondContact OG1-ND2 3.27Å; T560-N587 PolarHBondContact OG1-OD1 2.93Å; S582-N587 PolarHBondContact O-ND2 3.16Å; S582-N587 PolarHBondContact OG-ND2 3.13Å; S582-N587 PolarHBondContact OG-OD1 3.36Å; W583-N587 WeakPolarHBondContact CA-ND2 3.35Å; W583-N587 PolarHBondContact N-ND2 3.06Å; G584-N587 WeakPolarHBondContact O-CB 3.3Å; G584-N587 PolarHBondContact O-N 3.19Å; D585-N587 PolarHBondContact O-N 3.01Å; D585-N587 VanDerWaalsContact O-N 3.15Å; N587-E589 PolarHBondContact O-N 2.97Å; N587-R593 WeakPolarHBondContact O-CD 3.28Å; N587-R593 WeakPolarHBondContact O-CG 3.36Å; N587-R593 PolarHBondContact O-NH1 2.72Å; N587-L596 WeakPolarHBondContact OD1-CD1 3.27Å; N587-I605 PolarHBondContact ND2-O 3.45Å
588N90.4Very high95Very high38 Ų3847.8 Ų47.820%0.20322%0.222CC..G310 helixtrans-69.9-17.9176.9-69.2-39000111.9D585 D586 R593 D607 S608D585-N588 VanDerWaalsContact O-CB 3.3Å; D585-N588 WeakPolarHBondContact O-CB 3.15Å; D585-N588 PolarHBondContact O-N 2.94Å; D586-N588 VanDerWaalsContact C-N 3.27Å; D586-N588 PolarHBondContact O-N 3.11Å; N588-R593 PolarHBondContact O-NH1 3.46Å; N588-D607 PolarHBondContact ND2-OD2 3.49Å; N588-D607 WeakPolarHBondContact OD1-CB 3.2Å; N588-D607 PolarHBondContact OD1-N 3.16Å; N588-S608 PolarHBondContact OD1-N 2.88Å
589E90.7Very high94.9Very high111 Ų11151.9 Ų51.952%0.51924%0.24SC..SBendtrans-81.1123.4174-59.5-170163.400112.5D586 N587 E591 N592 R593D586-E589 PolarHBondContact O-N 3.47Å; N587-E589 PolarHBondContact O-N 2.97Å; E589-E591 VanDerWaalsContact C-N 3.3Å; E589-E591 PolarHBondContact O-N 2.7Å; E589-N592 HydrophobicContact CB-CB 4.25Å; E589-N592 PolarHBondContact O-N 3.29Å; E589-N592 VanDerWaalsContact O-N 3.15Å; E589-N592 PolarHBondContact OE2-ND2 3.4Å; E589-R593 VanDerWaalsContact C-NH1 3.33Å; E589-R593 PolarHBondContact O-N 3.16Å; E589-R593 VanDerWaalsContact O-N 3.14Å; E589-R593 PolarHBondContact O-NH1 2.76Å
590H90.1Very high94.8Very high100 Ų10053.2 Ų53.246%0.46326%0.255SS..Hα-helixtrans-56.8-40.8-178.4-179-86.4000113.3N592 R593 R594H590-N592 PolarHBondContact O-N 2.87Å; H590-R593 PolarHBondContact O-N 2.89Å; H590-R594 PolarHBondContact O-N 2.86Å
591E93.6Very high94.8Very high97 Ų9753.2 Ų53.245%0.45326%0.256SS..Hα-helixtrans-69.3-31.8-179.1-68.5-54.5121.900112.8E589 R594 K595E589-E591 VanDerWaalsContact C-N 3.3Å; E589-E591 PolarHBondContact O-N 2.7Å; E591-R594 PolarHBondContact O-N 2.89Å; E591-R594 IonicContact OE1-CZ 3.51Å; E591-R594 IonicContact OE1-NE 3.92Å; E591-R594 PolarHBondContact OE1-NE 2.86Å; E591-R594 IonicContact OE1-NH2 2.84Å; E591-R594 PolarHBondContact OE1-NH2 3.25Å; E591-R594 IonicContact OE2-CZ 3.88Å; E591-R594 IonicContact OE2-NE 2.86Å; E591-R594 PolarHBondContact OE2-NE 2.61Å; E591-R594 IonicContact OE2-NH2 3.88Å; E591-K595 WeakPolarHBondContact O-CG 3.38Å; E591-K595 PolarHBondContact O-N 2.97Å; E591-K595 VanDerWaalsContact O-N 3.08Å
592N95.8Very high94.7Very high15 Ų1554.2 Ų54.28%0.0826%0.261CS..Hα-helixtrans-69.2-44.3173.3-65.9-19.7000110.5L564 D586 E589 H590 R594 K595 L596L564-N592 HydrophobicContact CD1-CB 4.08Å; L564-N592 HydrophobicContact CD2-CB 4.3Å; D586-N592 VanDerWaalsContact O-CB 3.32Å; D586-N592 WeakPolarHBondContact O-CB 3.32Å; D586-N592 PolarHBondContact O-ND2 2.72Å; E589-N592 HydrophobicContact CB-CB 4.25Å; E589-N592 PolarHBondContact O-N 3.29Å; E589-N592 VanDerWaalsContact O-N 3.15Å; E589-N592 PolarHBondContact OE2-ND2 3.4Å; H590-N592 PolarHBondContact O-N 2.87Å; N592-R594 VanDerWaalsContact C-N 3.29Å; N592-R594 PolarHBondContact O-N 2.93Å; N592-K595 PolarHBondContact O-N 3.19Å; N592-L596 WeakPolarHBondContact O-CG 3.42Å; N592-L596 PolarHBondContact O-N 3.02Å
593R94.7Very high94.7Very high25 Ų2554.2 Ų54.29%0.09426%0.261CS..Hα-helixtrans-57.7-41.6173.2-62.3-164.4-64.1-77.17.5112N587 N588 E589 H590 L596 R597 L604N587-R593 WeakPolarHBondContact O-CD 3.28Å; N587-R593 WeakPolarHBondContact O-CG 3.36Å; N587-R593 PolarHBondContact O-NH1 2.72Å; N588-R593 PolarHBondContact O-NH1 3.46Å; E589-R593 VanDerWaalsContact C-NH1 3.33Å; E589-R593 PolarHBondContact O-N 3.16Å; E589-R593 VanDerWaalsContact O-N 3.14Å; E589-R593 PolarHBondContact O-NH1 2.76Å; H590-R593 PolarHBondContact O-N 2.89Å; R593-L596 PolarHBondContact O-N 2.94Å; R593-R597 WeakPolarHBondContact O-CG 3.21Å; R593-R597 PolarHBondContact O-N 2.82Å; R593-L604 HydrophobicContact CB-CD1 3.97Å; R593-L604 HydrophobicContact CG-CD1 4.19Å
594R94.8Very high94.7Very high108 Ų10852.6 Ų52.641%0.40826%0.255SS..Hα-helixtrans-58.3-51.2175.8-171.7-158.6-59.1-91.1-1.8111.1H590 E591 N592 L596 R597 E598H590-R594 PolarHBondContact O-N 2.86Å; E591-R594 PolarHBondContact O-N 2.89Å; E591-R594 IonicContact OE1-CZ 3.51Å; E591-R594 IonicContact OE1-NE 3.92Å; E591-R594 PolarHBondContact OE1-NE 2.86Å; E591-R594 IonicContact OE1-NH2 2.84Å; E591-R594 PolarHBondContact OE1-NH2 3.25Å; E591-R594 IonicContact OE2-CZ 3.88Å; E591-R594 IonicContact OE2-NE 2.86Å; E591-R594 PolarHBondContact OE2-NE 2.61Å; E591-R594 IonicContact OE2-NH2 3.88Å; N592-R594 VanDerWaalsContact C-N 3.29Å; N592-R594 PolarHBondContact O-N 2.93Å; R594-L596 VanDerWaalsContact C-N 3.33Å; R594-L596 PolarHBondContact O-N 3.33Å; R594-R597 PolarHBondContact O-N 2.97Å; R594-E598 WeakPolarHBondContact O-CG 3.5Å; R594-E598 PolarHBondContact O-N 3.44Å
595K96.8Very high94.9Very high99 Ų9952.1 Ų52.143%0.4325%0.249SC..Hα-helixtrans-57.8-43.6178.8-71.3170.9-174.81690112.4E591 N592 E598 Q599E591-K595 WeakPolarHBondContact O-CG 3.38Å; E591-K595 PolarHBondContact O-N 2.97Å; E591-K595 VanDerWaalsContact O-N 3.08Å; N592-K595 PolarHBondContact O-N 3.19Å; K595-E598 PolarHBondContact O-N 3.15Å; K595-Q599 WeakPolarHBondContact O-CG 3.06Å; K595-Q599 PolarHBondContact O-N 2.67Å
596L97.2Very high95Very high0 Ų048.6 Ų48.60%023%0.229CC..Hα-helixtrans-66-40.4179.6-64.9167.8000111.7T560 L563 L564 L567 I570 N587 N592 R593 R594 E598 Q599 G600 I601 L604T560-L596 HydrophobicContact CG2-CD1 4.05Å; L563-L596 HydrophobicContact CB-CD2 4.38Å; L564-L596 HydrophobicContact CD2-CD2 4.2Å; L564-L596 HydrophobicContact CD2-CG 4.31Å; L567-L596 HydrophobicContact CD2-CD2 4.08Å; I570-L596 HydrophobicContact CD1-CD2 4.1Å; N587-L596 WeakPolarHBondContact OD1-CD1 3.27Å; N592-L596 WeakPolarHBondContact O-CG 3.42Å; N592-L596 PolarHBondContact O-N 3.02Å; R593-L596 PolarHBondContact O-N 2.94Å; R594-L596 VanDerWaalsContact C-N 3.33Å; R594-L596 PolarHBondContact O-N 3.33Å; L596-E598 PolarHBondContact O-N 3.01Å; L596-Q599 PolarHBondContact O-N 3.08Å; L596-Q599 VanDerWaalsContact O-N 3.16Å; L596-G600 PolarHBondContact O-N 2.81Å; L596-I601 HydrophobicContact CB-CB 4.29Å; L596-I601 HydrophobicContact CB-CD1 4.23Å; L596-I601 HydrophobicContact CB-CG2 3.82Å; L596-I601 HydrophobicContact CD1-CD1 4.46Å; L596-I601 HydrophobicContact CD2-CD1 4.26Å; L596-I601 WeakPolarHBondContact O-CB 3.44Å; L596-I601 WeakPolarHBondContact O-CG2 3.37Å; L596-I601 PolarHBondContact O-N 2.68Å; L596-L604 HydrophobicContact CB-CD2 4.09Å; L596-L604 HydrophobicContact CD1-CD2 3.6Å
597R96.5Very high94.7Very high83 Ų8347.1 Ų47.131%0.31322%0.221SC..Hα-helixtrans-62.8-39.7173.8-70.1-171-17599.6-4.5112.4T319 D321 R593 R594 Q599 G600 L604T319-R597 HydrophobicContact CG2-CG 4.16Å; D321-R597 IonicContact OD1-CZ 3.9Å; D321-R597 IonicContact OD1-NH2 3.03Å; D321-R597 PolarHBondContact OD1-NH2 3.1Å; D321-R597 IonicContact OD2-NH2 2.57Å; R593-R597 WeakPolarHBondContact O-CG 3.21Å; R593-R597 PolarHBondContact O-N 2.82Å; R594-R597 PolarHBondContact O-N 2.97Å; R597-Q599 PolarHBondContact O-N 3.14Å; R597-G600 PolarHBondContact O-N 3Å; R597-L604 HydrophobicContact CG-CD1 3.99Å
598E95.8Very high93.8Very high137 Ų13748.3 Ų48.364%0.6423%0.229SC*.Hα-helixtrans-62.5-27.6175.1-72.4170.5-17600112.8R594 K595 L596 G600R594-E598 WeakPolarHBondContact O-CG 3.5Å; R594-E598 PolarHBondContact O-N 3.44Å; K595-E598 PolarHBondContact O-N 3.15Å; L596-E598 PolarHBondContact O-N 3.01Å; E598-G600 VanDerWaalsContact C-N 3.3Å
599Q96.3Very high93.2Very high92 Ų9246.8 Ų46.843%0.4322%0.221SC..THydrogen-bonded Turntrans-85.71.4172.7-61.9-57.7-5800113.7L567 I570 K595 L596 R597L567-Q599 HydrophobicContact CB-CG 4.08Å; L567-Q599 HydrophobicContact CD1-CG 4.06Å; L567-Q599 HydrophobicContact CD2-CG 4.06Å; L567-Q599 HydrophobicContact CG-CG 4.29Å; I570-Q599 HydrophobicContact CD1-CB 3.83Å; K595-Q599 WeakPolarHBondContact O-CG 3.06Å; K595-Q599 PolarHBondContact O-N 2.67Å; L596-Q599 PolarHBondContact O-N 3.08Å; L596-Q599 VanDerWaalsContact O-N 3.16Å; R597-Q599 PolarHBondContact O-N 3.14Å
600G95.9Very high92.3Very high35 Ų3542.8 Ų42.836%0.36121%0.205SC..THydrogen-bonded Turntrans7828.6176.200000114.6Q574 L596 R597 E598Q574-G600 PolarHBondContact NE2-O 3.32Å; L596-G600 PolarHBondContact O-N 2.81Å; R597-G600 PolarHBondContact O-N 3Å; E598-G600 VanDerWaalsContact C-N 3.3Å
601I97.4Very high91.1Very high2 Ų242.8 Ų42.81%0.0121%0.208CC..  trans-56.7142.2174.9-161.2161.4000111.8T319 L563 I570 V580 L596 L604T319-I601 WeakPolarHBondContact CB-O 3.28Å; T319-I601 HydrophobicContact CG2-CG2 3.67Å; T319-I601 WeakPolarHBondContact CG2-O 3.45Å; T319-I601 PolarHBondContact OG1-O 3.35Å; L563-I601 HydrophobicContact CD1-CD1 4.29Å; I570-I601 HydrophobicContact CD1-CB 4.43Å; I570-I601 HydrophobicContact CD1-CD1 4.47Å; V580-I601 HydrophobicContact CG1-CG1 4.44Å; V580-I601 WeakPolarHBondContact O-CG1 3.44Å; L596-I601 HydrophobicContact CB-CB 4.29Å; L596-I601 HydrophobicContact CB-CD1 4.23Å; L596-I601 HydrophobicContact CB-CG2 3.82Å; L596-I601 HydrophobicContact CD1-CD1 4.46Å; L596-I601 HydrophobicContact CD2-CD1 4.26Å; L596-I601 WeakPolarHBondContact O-CB 3.44Å; L596-I601 WeakPolarHBondContact O-CG2 3.37Å; L596-I601 PolarHBondContact O-N 2.68Å; I601-L604 HydrophobicContact CD1-CD2 4.19Å; I601-L604 HydrophobicContact CG2-CD2 4.01Å; I601-L604 HydrophobicContact CG2-CG 4.09Å
602D98Very high89.2Confident20 Ų2040.8 Ų40.811%0.10721%0.208CC..SBendtrans-82.9-34.7-175-66-77000112.9W314 T319 V320 Q574 V579 V580 F581W314-D602 HydrophobicContact CZ2-CB 4.04Å; W314-D602 PolarHBondContact NE1-OD1 2.8Å; W314-D602 VanDerWaalsContact NE1-OD1 3.07Å; T319-D602 WeakPolarHBondContact CA-O 3.32Å; V320-D602 WeakPolarHBondContact CG2-O 3.44Å; V320-D602 PolarHBondContact N-O 3.22Å; Q574-D602 PolarHBondContact NE2-OD2 2.7Å; V579-D602 HydrophobicContact CG1-CB 3.53Å; V580-D602 PolarHBondContact N-OD2 3.17Å; V580-D602 WeakPolarHBondContact O-CB 3.31Å; V580-D602 PolarHBondContact O-N 3.16Å; F581-D602 HydrophobicContact CD1-CB 4.26Å; F581-D602 HydrophobicContact CE1-CB 4.19Å
603G97.4Very high87.1Confident0 Ų048.7 Ų48.70%025%0.245CC..EExtended strand (participates in β ladder)trans-147.3148.1-179.500000114V320 V580 F581 S582V320-G603 WeakPolarHBondContact O-CA 3.02Å; V580-G603 PolarHBondContact O-N 2.83Å; F581-G603 CarbonylContact C-O 3.54Å; F581-G603 VanDerWaalsContact CA-O 3.27Å; F581-G603 WeakPolarHBondContact CA-O 3.26Å; S582-G603 PolarHBondContact N-O 2.7Å
604L97.3Very high85.3Confident0 Ų049.9 Ų49.90%026%0.264CS..EExtended strand (participates in β ladder)trans-126.1119.5177.6-69.6169.8000109.9T319 V320 V322 S582 R593 L596 R597 I601 Y606T319-L604 HydrophobicContact CG2-CB 4.4Å; T319-L604 HydrophobicContact CG2-CD1 3.76Å; T319-L604 HydrophobicContact CG2-CG 3.68Å; V320-L604 PolarHBondContact O-N 2.83Å; V322-L604 WeakPolarHBondContact CB-O 3.28Å; V322-L604 PolarHBondContact N-O 3.17Å; S582-L604 WeakPolarHBondContact OG-CD2 3.38Å; R593-L604 HydrophobicContact CB-CD1 3.97Å; R593-L604 HydrophobicContact CG-CD1 4.19Å; L596-L604 HydrophobicContact CB-CD2 4.09Å; L596-L604 HydrophobicContact CD1-CD2 3.6Å; R597-L604 HydrophobicContact CG-CD1 3.99Å; I601-L604 HydrophobicContact CD1-CD2 4.19Å; I601-L604 HydrophobicContact CG2-CD2 4.01Å; I601-L604 HydrophobicContact CG2-CG 4.09Å; L604-Y606 HydrophobicContact CB-CD1 4.01Å; L604-Y606 HydrophobicContact CB-CE1 4.05Å; L604-Y606 WeakPolarHBondContact O-CD1 3.26Å
605I97.2Very high83.7Confident5 Ų552.4 Ų52.43%0.02628%0.281CS..EExtended strand (participates in β ladder)trans-101.9118177-52.4172.9000108.9V322 H324 E358 F581 S582 W583 N587V322-I605 HydrophobicContact CB-CB 4.38Å; V322-I605 HydrophobicContact CB-CG1 3.87Å; V322-I605 HydrophobicContact CG1-CG1 4Å; V322-I605 HydrophobicContact CG1-CG2 4.4Å; V322-I605 HydrophobicContact CG2-CG1 4.31Å; V322-I605 WeakPolarHBondContact O-CA 3.36Å; H324-I605 HydrophobicContact CB-CG2 3.78Å; E358-I605 HydrophobicContact CB-CG2 4.21Å; E358-I605 HydrophobicContact CG-CG2 4.3Å; F581-I605 HydrophobicContact CD2-CD1 4.22Å; F581-I605 HydrophobicContact CD2-CG1 4.27Å; S582-I605 WeakPolarHBondContact O-CB 3.49Å; S582-I605 PolarHBondContact O-N 2.99Å; W583-I605 HydrophobicContact CB-CB 4.12Å; W583-I605 HydrophobicContact CB-CD1 4.26Å; N587-I605 PolarHBondContact ND2-O 3.45Å
606Y92.9Very high82.2Confident19 Ų1952.5 Ų52.58%0.07528%0.283CS..EExtended strand (participates in β ladder)trans-156.5164.6-176.761.2-81.3000113.8D321 V322 H324 L604 I609D321-Y606 HydrophobicContact CB-CE1 4.14Å; D321-Y606 VanDerWaalsContact CG-OH 3.25Å; D321-Y606 VanDerWaalsContact OD1-CE1 3.24Å; D321-Y606 WeakPolarHBondContact OD1-CE1 3.45Å; D321-Y606 PolarHBondContact OD1-OH 3.07Å; V322-Y606 PolarHBondContact O-N 2.89Å; V322-Y606 VanDerWaalsContact O-N 3.15Å; H324-Y606 WeakPolarHBondContact CB-O 3.41Å; H324-Y606 PolarHBondContact N-O 3.04Å; L604-Y606 HydrophobicContact CB-CD1 4.01Å; L604-Y606 HydrophobicContact CB-CE1 4.05Å; L604-Y606 WeakPolarHBondContact O-CD1 3.26Å; Y606-I609 HydrophobicContact CE2-CB 4.02Å; Y606-I609 HydrophobicContact CE2-CG1 4.27Å
607D87.4Confident80.9Confident4 Ų455.8 Ų55.82%0.02130%0.304CS..SBendtrans-83.5-44.2-173.9-59-49.2000112.7H324 A327 G328 S329 N588 I609H324-D607 IonicContact CE1-OD1 2.7Å; H324-D607 IonicContact CG-OD1 2.7Å; H324-D607 IonicContact ND1-OD1 2.61Å; H324-D607 PolarHBondContact ND1-OD1 2.78Å; A327-D607 CarbonylContact C-O 3.48Å; G328-D607 VanDerWaalsContact CA-CA 3.49Å; G328-D607 VanDerWaalsContact CA-CB 3.47Å; G328-D607 WeakPolarHBondContact CA-OD1 3.47Å; S329-D607 PolarHBondContact N-OD1 2.84Å; N588-D607 PolarHBondContact ND2-OD2 3.49Å; N588-D607 WeakPolarHBondContact OD1-CB 3.2Å; N588-D607 PolarHBondContact OD1-N 3.16Å; D607-I609 PolarHBondContact O-N 3.39Å
608S74.3Confident80.2Confident25 Ų2551.9 Ų51.918%0.17529%0.29CS..G310 helixtrans-74.533.3-171.5-80.30000115.4N588 C610 D611N588-S608 PolarHBondContact OD1-N 2.88Å; S608-C610 VanDerWaalsContact C-N 3.25Å; S608-C610 PolarHBondContact O-N 2.83Å; S608-D611 WeakPolarHBondContact CB-OD2 3.06Å; S608-D611 PolarHBondContact O-N 2.81Å; S608-D611 PolarHBondContact OG-OD2 2.81Å
609I77.9Confident79.4Confident5 Ų547.2 Ų47.23%0.02627%0.268CS..G310 helixtrans-68.6-28.1179.4-154.9149.9000112.2D321 A349 A354 Y606 D607 D611D321-I609 HydrophobicContact CB-CD1 3.91Å; A349-I609 HydrophobicContact CB-CG2 3.94Å; A354-I609 HydrophobicContact CB-CD1 3.54Å; A354-I609 HydrophobicContact CB-CG1 4.41Å; Y606-I609 HydrophobicContact CE2-CB 4.02Å; Y606-I609 HydrophobicContact CE2-CG1 4.27Å; D607-I609 PolarHBondContact O-N 3.39Å; I609-D611 VanDerWaalsContact C-N 3.3Å; I609-D611 PolarHBondContact O-N 2.87Å
610C71.8Confident78.6Confident28 Ų2842.9 Ų42.919%0.18925%0.248CC..G310 helixtrans-80.5-2.8178.6-620000114.6S348 S608 A612S348-C610 PolarHBondContact OG-SG 2.88Å; S608-C610 VanDerWaalsContact C-N 3.25Å; S608-C610 PolarHBondContact O-N 2.83Å; C610-A612 VanDerWaalsContact C-N 3.31Å
611D63.7Low77.7Confident100 Ų10044 Ų4454%0.53524%0.244SC..G310 helixtrans-82.5-7.9179.9-68.7-29.7000113S608 I609S608-D611 WeakPolarHBondContact CB-OD2 3.06Å; S608-D611 PolarHBondContact O-N 2.81Å; S608-D611 PolarHBondContact OG-OD2 2.81Å; I609-D611 VanDerWaalsContact C-N 3.3Å; I609-D611 PolarHBondContact O-N 2.87Å
612A54.2Low76.7Confident55 Ų5547.3 Ų47.346%0.45527%0.265SS..SBendtrans-78.1137173.200000111.1C610 G614C610-A612 VanDerWaalsContact C-N 3.31Å; A612-G614 PolarHBondContact O-N 2.86Å
613Q51.7Low75.7Confident181 Ų18149 Ų4985%0.84627%0.272SS*.SBendtrans-59.6127.6-175.3-69.1178.7-7.500113.2Q616Q613-Q616 PolarHBondContact O-NE2 2.99Å
614G56.4Low74.7Confident49 Ų4954.3 Ų54.351%0.50530%0.297SS..SBendtrans71.6169.6168.600000115.1A612 Q616A612-G614 PolarHBondContact O-N 2.86Å; G614-Q616 PolarHBondContact O-N 2.83Å
615E62.7Low73.4Confident161 Ų16159.7 Ų59.775%0.75232%0.322SS*.  trans-61.4131.6167.8-68.3-179.3169.300109.3N351N351-E615 WeakPolarHBondContact O-CA 3.26Å
616Q65.1Low72.1Confident101 Ų10164.4 Ų64.447%0.47234%0.343SS..BIsolated β-bridgetrans-129133.7-179.3-64.8-64.6-24.100109.6N351 G353 Q613 G614N351-Q616 PolarHBondContact O-N 3.42Å; G353-Q616 VanDerWaalsContact CA-O 3.3Å; G353-Q616 WeakPolarHBondContact CA-O 3.46Å; G353-Q616 PolarHBondContact N-O 2.85Å; Q613-Q616 PolarHBondContact O-NE2 2.99Å; G614-Q616 PolarHBondContact O-N 2.83Å
617P68.1Low70.9Confident70 Ų7066.5 Ų66.546%0.45536%0.361SS..  trans-67.1139.6173.729.4-33.4000109.7Q621 V622P617-Q621 HydrophobicContact CB-CB 4.47Å; P617-V622 HydrophobicContact CB-CG2 4.08Å; P617-V622 HydrophobicContact CG-CG2 4.03Å
618N81.8Confident69.8Low1 Ų171 Ų711%0.00538%0.384CS..  trans-77.1163.9175.672.442.8000111.5G353 A354 F620 Q621 V622G353-N618 VanDerWaalsContact O-CB 3.27Å; G353-N618 WeakPolarHBondContact O-CB 3.3Å; A354-N618 WeakPolarHBondContact O-CB 3.47Å; A354-N618 PolarHBondContact O-ND2 3.04Å; N618-F620 PolarHBondContact O-N 2.85Å; N618-F620 VanDerWaalsContact O-N 3.12Å; N618-F620 WeakPolarHBondContact OD1-CA 3.43Å; N618-F620 WeakPolarHBondContact OD1-CB 3.22Å; N618-F620 PolarHBondContact OD1-N 3.16Å; N618-Q621 PolarHBondContact O-N 3.21Å; N618-Q621 VanDerWaalsContact O-N 3.1Å; N618-Q621 WeakPolarHBondContact OD1-CG 3.43Å; N618-Q621 PolarHBondContact OD1-N 2.98Å; N618-V622 WeakPolarHBondContact O-CG2 3.35Å; N618-V622 PolarHBondContact O-N 3.32Å; N618-V622 VanDerWaalsContact O-N 3.1Å
619I79.4Confident68.7Low38 Ų3875.7 Ų75.720%0.19540%0.404CS..Hα-helixtrans-55.5-33.6-177.1-166.6166.3000113.2S318 V320 A355 V622 E623S318-I619 WeakPolarHBondContact OG-CD1 3.45Å; V320-I619 HydrophobicContact CG1-CG2 4.38Å; A355-I619 HydrophobicContact CB-CG2 3.65Å; I619-V622 PolarHBondContact O-N 3.07Å; I619-E623 HydrophobicContact CG1-CG 4.49Å; I619-E623 WeakPolarHBondContact O-CB 3.37Å; I619-E623 VanDerWaalsContact O-CG 3.29Å; I619-E623 WeakPolarHBondContact O-CG 3.19Å; I619-E623 PolarHBondContact O-N 3.25Å
620F80.3Confident67.6Low2 Ų280.7 Ų80.71%0.00943%0.427CS..Hα-helixtrans-71.9-38.2-179.5-63.2-33.3000113.1A355 F356 N618 V622 E623 E624A355-F620 HydrophobicContact CB-CD2 4.12Å; A355-F620 HydrophobicContact CB-CE2 3.83Å; A355-F620 HydrophobicContact CB-CZ 4.19Å; A355-F620 WeakPolarHBondContact O-CD2 3.41Å; A355-F620 VanDerWaalsContact O-CE2 3.23Å; A355-F620 WeakPolarHBondContact O-CE2 3.5Å; F356-F620 AromaticContact CD2-CE2 3.99Å; F356-F620 HydrophobicContact CD2-CE2 3.99Å; F356-F620 HydrophobicContact CD2-CZ 4.06Å; F356-F620 AromaticContact CE2-CE2 3.63Å; F356-F620 HydrophobicContact CE2-CE2 3.63Å; F356-F620 AromaticContact CE2-CZ 3.34Å; F356-F620 HydrophobicContact CE2-CZ 3.34Å; F356-F620 AromaticContact CZ-CE2 3.87Å; F356-F620 HydrophobicContact CZ-CE2 3.87Å; F356-F620 AromaticContact CZ-CZ 3.68Å; F356-F620 HydrophobicContact CZ-CZ 3.68Å; N618-F620 PolarHBondContact O-N 2.85Å; N618-F620 VanDerWaalsContact O-N 3.12Å; N618-F620 WeakPolarHBondContact OD1-CA 3.43Å; N618-F620 WeakPolarHBondContact OD1-CB 3.22Å; N618-F620 PolarHBondContact OD1-N 3.16Å; F620-V622 VanDerWaalsContact C-N 3.33Å; F620-E623 PolarHBondContact O-N 2.81Å; F620-E624 WeakPolarHBondContact O-CB 3.33Å; F620-E624 PolarHBondContact O-N 2.92Å
621Q77.8Confident66.7Low57 Ų5783.2 Ų83.227%0.26644%0.441SS..Hα-helixtrans-66.8-39.7174.9-68.5170-15.100110.6S449 P617 N618 E624 Q625S449-Q621 PolarHBondContact OG-NE2 2.88Å; P617-Q621 HydrophobicContact CB-CB 4.47Å; N618-Q621 PolarHBondContact O-N 3.21Å; N618-Q621 VanDerWaalsContact O-N 3.1Å; N618-Q621 WeakPolarHBondContact OD1-CG 3.43Å; N618-Q621 PolarHBondContact OD1-N 2.98Å; Q621-E624 PolarHBondContact O-N 2.91Å; Q621-Q625 WeakPolarHBondContact O-CB 3.31Å; Q621-Q625 VanDerWaalsContact O-CG 3.23Å; Q621-Q625 WeakPolarHBondContact O-CG 3.36Å; Q621-Q625 PolarHBondContact O-N 3.22Å
622V75.6Confident66.4Low73 Ų7383 Ų8344%0.44244%0.439SS..Hα-helixtrans-64.2-45.6175.4178.80000110.9P617 N618 I619 F620 E624 Q625 H626P617-V622 HydrophobicContact CB-CG2 4.08Å; P617-V622 HydrophobicContact CG-CG2 4.03Å; N618-V622 WeakPolarHBondContact O-CG2 3.35Å; N618-V622 PolarHBondContact O-N 3.32Å; N618-V622 VanDerWaalsContact O-N 3.1Å; I619-V622 PolarHBondContact O-N 3.07Å; F620-V622 VanDerWaalsContact C-N 3.33Å; V622-E624 PolarHBondContact O-N 2.88Å; V622-Q625 PolarHBondContact O-N 3.48Å; V622-H626 PolarHBondContact O-N 3.3Å
623E77.1Confident66.1Low56 Ų5684.2 Ų84.226%0.26244%0.441SS..Hα-helixtrans-60.5-43.4176.2-76.9177.6174.900112R317 I619 F620 H626 S627R317-E623 WeakPolarHBondContact CD-OE1 3.45Å; R317-E623 IonicContact CZ-OE1 3.85Å; R317-E623 IonicContact CZ-OE2 3.06Å; R317-E623 IonicContact NE-OE1 2.71Å; R317-E623 PolarHBondContact NE-OE1 2.85Å; R317-E623 IonicContact NE-OE2 3.9Å; R317-E623 IonicContact NH2-OE1 3.84Å; R317-E623 IonicContact NH2-OE2 3.95Å; R317-E623 PolarHBondContact NH2-OE2 3.38Å; I619-E623 HydrophobicContact CG1-CG 4.49Å; I619-E623 WeakPolarHBondContact O-CB 3.37Å; I619-E623 VanDerWaalsContact O-CG 3.29Å; I619-E623 WeakPolarHBondContact O-CG 3.19Å; I619-E623 PolarHBondContact O-N 3.25Å; F620-E623 PolarHBondContact O-N 2.81Å; E623-H626 PolarHBondContact O-N 2.9Å; E623-S627 WeakPolarHBondContact O-CB 3.25Å; E623-S627 PolarHBondContact O-N 2.66Å; E623-S627 PolarHBondContact O-OG 3.14Å
624E75.5Confident65.9Low111 Ų11181 Ų8152%0.51943%0.425SS..Hα-helixtrans-66.5-42.2179.6-171.4171.1-162.200111.7F620 Q621 V622 S627 L628F620-E624 WeakPolarHBondContact O-CB 3.33Å; F620-E624 PolarHBondContact O-N 2.92Å; Q621-E624 PolarHBondContact O-N 2.91Å; V622-E624 PolarHBondContact O-N 2.88Å; E624-S627 PolarHBondContact O-N 2.68Å; E624-L628 HydrophobicContact CG-CD1 4.17Å; E624-L628 WeakPolarHBondContact O-CB 3.42Å; E624-L628 VanDerWaalsContact O-CG 3.27Å; E624-L628 WeakPolarHBondContact O-CG 3.41Å; E624-L628 PolarHBondContact O-N 3.26Å
625Q70.9Confident65.5Low113 Ų11384.6 Ų84.653%0.52843%0.429SS..Hα-helixtrans-62.1-43174.6-73.9173.37.400112.2Q621 V622 L628 Q629Q621-Q625 WeakPolarHBondContact O-CB 3.31Å; Q621-Q625 VanDerWaalsContact O-CG 3.23Å; Q621-Q625 WeakPolarHBondContact O-CG 3.36Å; Q621-Q625 PolarHBondContact O-N 3.22Å; V622-Q625 PolarHBondContact O-N 3.48Å; Q625-L628 PolarHBondContact O-N 2.88Å; Q625-Q629 WeakPolarHBondContact O-CG 3.2Å; Q625-Q629 PolarHBondContact O-N 3.21Å
626H69.9Low64.9Low103 Ų10380.7 Ų80.748%0.47742%0.416SS..Hα-helixtrans-65.4-43.6177.3-161.7-87.3000111.5V622 E623 L628 Q629 E630V622-H626 PolarHBondContact O-N 3.3Å; E623-H626 PolarHBondContact O-N 2.9Å; H626-L628 PolarHBondContact O-N 2.93Å; H626-Q629 PolarHBondContact O-N 2.78Å; H626-E630 IonicContact CE1-OE1 3.02Å; H626-E630 PolarHBondContact CE1-OE1 2.99Å; H626-E630 IonicContact ND1-OE1 3.29Å; H626-E630 PolarHBondContact ND1-OE1 2.68Å; H626-E630 WeakPolarHBondContact O-CG 3.09Å; H626-E630 PolarHBondContact O-N 3.49Å
627S68.4Low63.8Low63 Ų6381.6 Ų81.644%0.44142%0.424SS..Hα-helixtrans-61.3-43.7177.1-55.90000111.4E623 E624 E630 V631E623-S627 WeakPolarHBondContact O-CB 3.25Å; E623-S627 PolarHBondContact O-N 2.66Å; E623-S627 PolarHBondContact O-OG 3.14Å; E624-S627 PolarHBondContact O-N 2.68Å; S627-E630 PolarHBondContact O-N 3.47Å; S627-V631 VanDerWaalsContact O-CG2 3.28Å; S627-V631 WeakPolarHBondContact O-CG2 3.3Å; S627-V631 PolarHBondContact O-N 3.35Å
628L63.3Low62.6Low99 Ų9985.3 Ų85.352%0.51843%0.433SS..Hα-helixtrans-63.3-41.7175.6-74.7165.9000111.7E624 Q625 H626 V631 I632E624-L628 HydrophobicContact CG-CD1 4.17Å; E624-L628 WeakPolarHBondContact O-CB 3.42Å; E624-L628 VanDerWaalsContact O-CG 3.27Å; E624-L628 WeakPolarHBondContact O-CG 3.41Å; E624-L628 PolarHBondContact O-N 3.26Å; Q625-L628 PolarHBondContact O-N 2.88Å; H626-L628 PolarHBondContact O-N 2.93Å; L628-V631 PolarHBondContact O-N 3.32Å; L628-I632 WeakPolarHBondContact O-CB 3.39Å; L628-I632 WeakPolarHBondContact O-CD1 3.23Å; L628-I632 WeakPolarHBondContact O-CG1 3.43Å; L628-I632 PolarHBondContact O-N 3.22Å
629Q50.6Low60.7Low124 Ų12489.1 Ų89.158%0.57946%0.46SS*.Hα-helixtrans-62.7-43.9175.1-771781.800111.7Q625 H626 I632 T633Q625-Q629 WeakPolarHBondContact O-CG 3.2Å; Q625-Q629 PolarHBondContact O-N 3.21Å; H626-Q629 PolarHBondContact O-N 2.78Å; Q629-I632 PolarHBondContact O-N 3.45Å; Q629-T633 WeakPolarHBondContact O-CB 3.44Å; Q629-T633 PolarHBondContact O-N 3.29Å; Q629-T633 PolarHBondContact O-OG1 3.1Å
630E54.5Low58.7Low110 Ų11091.7 Ų91.751%0.51448%0.481SS..Hα-helixtrans-61.9-44.5176.4-74.6-179.2166.500112H626 S627 T633 E634H626-E630 IonicContact CE1-OE1 3.02Å; H626-E630 PolarHBondContact CE1-OE1 2.99Å; H626-E630 IonicContact ND1-OE1 3.29Å; H626-E630 PolarHBondContact ND1-OE1 2.68Å; H626-E630 WeakPolarHBondContact O-CG 3.09Å; H626-E630 PolarHBondContact O-N 3.49Å; S627-E630 PolarHBondContact O-N 3.47Å; E630-T633 PolarHBondContact O-N 2.55Å; E630-E634 PolarHBondContact O-N 3.22Å
631V54.7Low56.5Low80 Ų8095.8 Ų95.849%0.48552%0.515SS..Hα-helixtrans-62.6-46176.6172.50000111.2S627 L628 T633 E634 E635S627-V631 VanDerWaalsContact O-CG2 3.28Å; S627-V631 WeakPolarHBondContact O-CG2 3.3Å; S627-V631 PolarHBondContact O-N 3.35Å; L628-V631 PolarHBondContact O-N 3.32Å; V631-T633 VanDerWaalsContact C-N 3.29Å; V631-T633 PolarHBondContact O-N 3.33Å; V631-E634 PolarHBondContact O-N 3.17Å; V631-E635 WeakPolarHBondContact O-CB 3.44Å; V631-E635 PolarHBondContact O-N 2.93Å
632I55.5Low54.5Low97 Ų9798.6 Ų98.650%0.49754%0.54SS..Hα-helixtrans-59.7-43.7174.8-69.6164.7000109.6L628 Q629 E634 E635 T636L628-I632 WeakPolarHBondContact O-CB 3.39Å; L628-I632 WeakPolarHBondContact O-CD1 3.23Å; L628-I632 WeakPolarHBondContact O-CG1 3.43Å; L628-I632 PolarHBondContact O-N 3.22Å; Q629-I632 PolarHBondContact O-N 3.45Å; I632-E634 PolarHBondContact O-N 3.23Å; I632-E635 PolarHBondContact O-N 3.2Å; I632-T636 VanDerWaalsContact O-CB 3.29Å; I632-T636 WeakPolarHBondContact O-CB 3.5Å; I632-T636 PolarHBondContact O-N 2.81Å; I632-T636 PolarHBondContact O-OG1 2.96Å
633T49.5Very low52.4Low79 Ų79100 Ų10049%0.48555%0.553SS.*Hα-helixtrans-65.3-41.5-179.2-46.60000111.1Q629 E630 V631 T636 L637Q629-T633 WeakPolarHBondContact O-CB 3.44Å; Q629-T633 PolarHBondContact O-N 3.29Å; Q629-T633 PolarHBondContact O-OG1 3.1Å; E630-T633 PolarHBondContact O-N 2.55Å; V631-T633 VanDerWaalsContact C-N 3.29Å; V631-T633 PolarHBondContact O-N 3.33Å; T633-T636 PolarHBondContact O-N 3.31Å; T633-L637 HydrophobicContact CG2-CD1 4.22Å; T633-L637 WeakPolarHBondContact O-CB 3.35Å; T633-L637 WeakPolarHBondContact O-CD1 3.33Å; T633-L637 VanDerWaalsContact O-CG 3.26Å; T633-L637 WeakPolarHBondContact O-CG 3.4Å; T633-L637 PolarHBondContact O-N 3.4Å
634E47.7Very low50.3Low113 Ų113103.5 Ų103.553%0.52858%0.582SS.*Hα-helixtrans-64.1-43.1173.2-85.4-155.5-178.100113.1E630 V631 I632 T636 L637 K638E630-E634 PolarHBondContact O-N 3.22Å; V631-E634 PolarHBondContact O-N 3.17Å; I632-E634 PolarHBondContact O-N 3.23Å; E634-T636 VanDerWaalsContact C-N 3.3Å; E634-L637 PolarHBondContact O-N 3Å; E634-K638 WeakPolarHBondContact O-CB 3.3Å; E634-K638 VanDerWaalsContact O-CG 3.31Å; E634-K638 WeakPolarHBondContact O-CG 3.46Å; E634-K638 PolarHBondContact O-N 3.01Å; E634-K638 IonicContact OE2-NZ 3.04Å; E634-K638 PolarHBondContact OE2-NZ 3.19Å
635E47.1Very low48.1Very low126 Ų126108.1 Ų108.159%0.58960%0.596SS**Hα-helixtrans-66.7-33.9175-76.8-172161.600111.7V631 I632 K638 S639V631-E635 WeakPolarHBondContact O-CB 3.44Å; V631-E635 PolarHBondContact O-N 2.93Å; I632-E635 PolarHBondContact O-N 3.2Å; E635-K638 PolarHBondContact O-N 2.8Å; E635-S639 VanDerWaalsContact O-CB 3.25Å; E635-S639 WeakPolarHBondContact O-CB 2.96Å; E635-S639 PolarHBondContact O-N 2.73Å; E635-S639 PolarHBondContact O-OG 3.19Å
636T49.7Very low46.1Very low78 Ų78108.4 Ų108.448%0.47961%0.611SS.*Hα-helixtrans-70.3-36.3174.9-460000110.9I632 T633 E634 S639 S640I632-T636 VanDerWaalsContact O-CB 3.29Å; I632-T636 WeakPolarHBondContact O-CB 3.5Å; I632-T636 PolarHBondContact O-N 2.81Å; I632-T636 PolarHBondContact O-OG1 2.96Å; T633-T636 PolarHBondContact O-N 3.31Å; E634-T636 VanDerWaalsContact C-N 3.3Å; T636-S639 WeakPolarHBondContact CA-OG 3.49Å; T636-S639 PolarHBondContact O-OG 3.12Å; T636-S640 WeakPolarHBondContact O-CB 3.02Å; T636-S640 PolarHBondContact O-N 3.25Å; T636-S640 PolarHBondContact O-OG 3.39Å
637L43.3Very low44.2Very low120 Ų120110.8 Ų110.863%0.62863%0.625SS**Hα-helixtrans-71.1-35.6172.7-75.8162.2000112.5T633 E634 S640T633-L637 HydrophobicContact CG2-CD1 4.22Å; T633-L637 WeakPolarHBondContact O-CB 3.35Å; T633-L637 WeakPolarHBondContact O-CD1 3.33Å; T633-L637 VanDerWaalsContact O-CG 3.26Å; T633-L637 WeakPolarHBondContact O-CG 3.4Å; T633-L637 PolarHBondContact O-N 3.4Å; E634-L637 PolarHBondContact O-N 3Å; L637-S640 WeakPolarHBondContact CA-OG 3.29Å; L637-S640 PolarHBondContact O-OG 3.23Å
638K42.1Very low42.5Very low148 Ų148113.5 Ų113.564%0.64364%0.641SS**Hα-helixtrans-74.9-31.6175.2-74.4166.8-177.5153.90112.3E634 E635E634-K638 WeakPolarHBondContact O-CB 3.3Å; E634-K638 VanDerWaalsContact O-CG 3.31Å; E634-K638 WeakPolarHBondContact O-CG 3.46Å; E634-K638 PolarHBondContact O-N 3.01Å; E634-K638 IonicContact OE2-NZ 3.04Å; E634-K638 PolarHBondContact OE2-NZ 3.19Å; E635-K638 PolarHBondContact O-N 2.8Å
639S41.4Very low40.7Very low82 Ų82115 Ų11557%0.57366%0.659SS**Hα-helixtrans-82.1-20.817658.90000114E635 T636 A641E635-S639 VanDerWaalsContact O-CB 3.25Å; E635-S639 WeakPolarHBondContact O-CB 2.96Å; E635-S639 PolarHBondContact O-N 2.73Å; E635-S639 PolarHBondContact O-OG 3.19Å; T636-S639 WeakPolarHBondContact CA-OG 3.49Å; T636-S639 PolarHBondContact O-OG 3.12Å; S639-A641 PolarHBondContact O-N 3.19Å
640S37.1Very low39.8Very low91 Ų91114.2 Ų114.264%0.63667%0.667SS**THydrogen-bonded Turntrans-80.13.2175.842.90000114.7T636 L637T636-S640 WeakPolarHBondContact O-CB 3.02Å; T636-S640 PolarHBondContact O-N 3.25Å; T636-S640 PolarHBondContact O-OG 3.39Å; L637-S640 WeakPolarHBondContact CA-OG 3.29Å; L637-S640 PolarHBondContact O-OG 3.23Å
641A35.5Very low38.7Very low88 Ų88113.4 Ų113.473%0.72768%0.679SS**THydrogen-bonded Turntrans-90.56.6172.700000114.7S639S639-A641 PolarHBondContact O-N 3.19Å
642C36.1Very low37.6Very low116 Ų116116.4 Ų116.478%0.78470%0.697SS**  trans-140.789.3179.6-151.50000113
643S30.7Very low36.7Very low104 Ų104116.8 Ų116.873%0.72771%0.706SS**  trans-175.383.5148.8178.60000110Y645S643-Y645 PolarHBondContact O-N 2.73Å
644C32.1Very low35.7Very low128 Ų128119 Ų11987%0.86572%0.723SS**  trans-80.193157.2-71.70000108.1
645Y29.5Very low34.8Very low209 Ų209120.4 Ų120.482%0.8274%0.739SS**  trans-13895.7156.7-86-77.1000110.1S643S643-Y645 PolarHBondContact O-N 2.73Å
646S29.6Very low34.1Very low119 Ų119118.5 Ų118.583%0.83275%0.745SS**  trans-73.7119.4164.844.20000110.1
647I29Very low33.7Very low152 Ų152120 Ų12078%0.77976%0.756SS**  trans-116.1124.2160.4-60.3177.8000107.1
648P33Very low33.1Very low120 Ų120120.4 Ų120.478%0.77976%0.764SS**  trans-85.7135176.833.3-28.7000109.6
649C26.8Very low32.7Very low130 Ų130120.2 Ų120.288%0.87877%0.768SS**  trans-144.9144.9160-138.10000112.4
650S31.4Very low32.1Very low109 Ų109125.5 Ų125.576%0.76278%0.784SS**  trans-75157.3-156.446.30000116
651A31.8Very low31.8Very low92 Ų92130 Ų13076%0.7679%0.794SS**  trans-53.1148.3171.800000114.9
652V31Very low31.4Very low144 Ų144128.9 Ų128.987%0.87379%0.791SS**  177.5149.8126.8153.40000108.9
653P35.6Very low31.1Very low105 Ų105128.6 Ų128.668%0.68279%0.791SS**  trans-110.1160.9-146.237.9-27.4000117
654C29.9Very low31.1Very low124 Ų124129.2 Ų129.284%0.83879%0.79SS**  trans32.1123.9147.9-59.30000121.4
655V28.9Very low31Very low143 Ų143131.1 Ų131.187%0.86779%0.786SS**  trans-144.4120.1139.5-177.50000109.7
656A31.8Very low30.9Very low87 Ų87125.9 Ų125.972%0.71978%0.78SS**  trans-100.1157.9150.600000106.5
657P41.3Very low30.9Very low109 Ų109127.3 Ų127.371%0.70878%0.778SS**  cis-141-175.344.933.2-7.8000112
658T29.5Very low31.2Very low129 Ų129125 Ų12579%0.79178%0.776SS**  -179.9151.258.2-21.40000109.4
659I35.3Very low31Very low143 Ų143122.5 Ų122.573%0.73377%0.772SS**  trans-80.5142.2176-65.5161.6000110.3
660H28.4Very low31.4Very low194 Ų194124.7 Ų124.790%0.89877%0.774SS**  trans-155.2129.8144-106.4-67.7000112.5
661H30.8Very low31.4Very low184 Ų184124.4 Ų124.485%0.85277%0.772SS**  trans-78154.1171-92.3-79.1000112.7
662G28Very low31.6Very low65 Ų65124.7 Ų124.767%0.6777%0.768SS**  trans152.596.3160.300000110.4
663S28.3Very low31.7Very low110 Ų110127.3 Ų127.377%0.76979%0.793SS**  78.4115.377.178.50000114.6
664V30.3Very low31.5Very low117 Ų117128.5 Ų128.571%0.70980%0.799SS**  trans92.6133.7135.7-1790000119.4
665E30Very low31.6Very low169 Ų169128.7 Ų128.779%0.7980%0.797SS**  trans74.3107157.6-81.7164.5-178.700118.5
666S29.3Very low31.8Very low98 Ų98127.9 Ų127.969%0.68579%0.793SS**  64.5112.287.9720000113.1
667D29.6Very low31.8Very low150 Ų150130.3 Ų130.380%0.80280%0.797SS**  177.6150.998.1-139.6-15.3000111.7
668S34Very low31.2Very low103 Ų103131.6 Ų131.672%0.7280%0.803SS**  trans25.2134.4150.867.60000122.7
669G29.3Very low31.3Very low68 Ų68131.8 Ų131.870%0.70180%0.803SS**  115.4101.3117.100000118.7
670L34Very low31Very low176 Ų176131 Ų13192%0.92181%0.808SS**  55.7126.7129.6-74159.8000121.8
671S32.3Very low31.2Very low102 Ų102126.2 Ų126.271%0.71380%0.801SS**  trans93.8105.9135.1-135.60000119.7
672S35.2Very low31.2Very low98 Ų98121.3 Ų121.369%0.68580%0.797SS**  39118.1126.563.60000120
673S34.4Very low31.5Very low200 Ų200126.5 Ų126.5100%1.39981%0.809SS**  -159.90114.3-71.40000109.4

Retrieved 673 of 673 residues in 198.6 ms (Link to these results)

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