A0A0D9R3R3_CHLSB Loading...

Limbic system associated membrane protein

AlphaFold DB , UniProt , Accession A0A0D9R3R3, Species CHLSB (Chlorocebus sabaeus, Green monkey), Gene LSAMP, Length 233 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
1M38Very low50.4Low230 Ų23094.3 Ų94.3100%1.13347%0.474SS*.  0134.10-89.3155.1144.900106.3D3M1-D3 PolarHBondContact O-N 3.02Å
2S43.3Very low50.2Low99 Ų9997 Ų9769%0.69248%0.481SS*.  trans-84.9107.6-177.5-54.60000109.2K4S2-K4 PolarHBondContact O-N 2.85Å; S2-K4 VanDerWaalsContact O-N 3.15Å
3D48.1Very low49.4Very low96 Ų96104.6 Ų104.651%0.51351%0.509SS..  trans-67.8111.6177-60.9-53.7000109.8M1M1-D3 PolarHBondContact O-N 3.02Å
4K49.9Very low48.7Very low165 Ų165109.6 Ų109.672%0.71752%0.522SS*.  trans-84.3123177.8-68.8-176.9179.6-179.80108.7S2 H6 N22S2-K4 PolarHBondContact O-N 2.85Å; S2-K4 VanDerWaalsContact O-N 3.15Å; K4-H6 PolarHBondContact O-N 3.2Å; K4-N22 PolarHBondContact O-ND2 3.21Å
5V50.5Low48.1Very low13 Ų13105.3 Ų105.38%0.07952%0.517CS..  trans-67.9128.2166.8-175.20000108.2K21 A71 N73 D79V5-K21 HydrophobicContact CG1-CD 4.49Å; V5-K21 HydrophobicContact CG1-CG 4.07Å; V5-A71 HydrophobicContact CB-CB 4.21Å; V5-A71 HydrophobicContact CG1-CB 3.46Å; V5-A71 VanDerWaalsContact CG1-CB 3.46Å; V5-N73 WeakPolarHBondContact CG2-ND2 3.16Å; V5-N73 VanDerWaalsContact CG2-OD1 3.25Å; V5-N73 WeakPolarHBondContact CG2-OD1 3.32Å; V5-D79 WeakPolarHBondContact O-CB 3.4Å
6H53.1Low47.6Very low81 Ų81105.4 Ų105.438%0.37551%0.514SS..  trans-106.5133.7173.2-165.447.3000109.6K4 D79K4-H6 PolarHBondContact O-N 3.2Å; H6-D79 VanDerWaalsContact CA-OD2 3.3Å; H6-D79 WeakPolarHBondContact CA-OD2 3.48Å; H6-D79 IonicContact CE1-OD2 2.78Å; H6-D79 IonicContact CG-OD2 3.94Å; H6-D79 IonicContact ND1-OD2 2.84Å; H6-D79 PolarHBondContact ND1-OD2 2.61Å
7C54.3Low47.4Very low6 Ų699.9 Ų99.94%0.04149%0.488CS..  trans-97.3136.9165-69.80000109.2C69 A71 D79 K81C7-C69 HydrophobicContact CB-CB 4.45Å; C7-C69 PolarHBondContact SG-SG 2.7Å; C7-A71 WeakPolarHBondContact SG-CB 3.41Å; C7-D79 PolarHBondContact N-OD2 3.36Å; C7-K81 HydrophobicContact CB-CB 4.29Å; C7-K81 HydrophobicContact CB-CG 3.69Å; C7-K81 VanDerWaalsContact O-CE 3.24Å; C7-K81 WeakPolarHBondContact O-CE 3.36Å; C7-K81 WeakPolarHBondContact O-CG 2.96Å
8Q52.8Low47Very low91 Ų9195 Ų9543%0.42547%0.466SS..  trans-126.2144169.4-173.6175.4-400109.2I10Q8-I10 HydrophobicContact CG-CG1 4.39Å
9I58.4Low47.1Very low39 Ų3990.9 Ų90.920%0.245%0.446CS..  trans-117.8126.6175.1-58.9173.8000108.1I17 K81 V83I9-I17 HydrophobicContact CG2-CG2 4.23Å; I9-K81 HydrophobicContact CD1-CB 3.73Å; I9-K81 HydrophobicContact CG1-CB 4.11Å; I9-V83 HydrophobicContact CB-CB 4.47Å; I9-V83 HydrophobicContact CD1-CB 3.79Å; I9-V83 HydrophobicContact CD1-CG1 3.84Å; I9-V83 HydrophobicContact CG2-CB 3.79Å; I9-V83 HydrophobicContact CG2-CG1 3.69Å; I9-V83 HydrophobicContact CG2-CG2 4.05Å
10I55.5Low47Very low60 Ų6090.3 Ų90.331%0.30844%0.44SS..EExtended strand (participates in β ladder)trans-114.8119180-51.3174.2000108.9Q8 K12 A18Q8-I10 HydrophobicContact CG-CG1 4.39Å; I10-K12 HydrophobicContact CG2-CG 4.41Å; I10-A18 HydrophobicContact CB-CB 4.23Å; I10-A18 HydrophobicContact CD1-CB 4.14Å; I10-A18 HydrophobicContact CG1-CB 4.37Å
11E50.2Low47Very low157 Ų15787.3 Ų87.373%0.73443%0.425SS*.EExtended strand (participates in β ladder)trans-86.5125.2174.2-170.4177.4-174.100109.9
12K48.6Very low47.4Very low127 Ų12780.7 Ų80.755%0.55239%0.394SS*.  trans-118.6153173.3-73.2-172.5179.41780110.8I10 Y14 F16I10-K12 HydrophobicContact CG2-CG 4.41Å; K12-Y14 CarbonylContact C-O 3.56Å; K12-Y14 CarbonylContact O-C 3.54Å; K12-Y14 PolarHBondContact O-N 3.47Å; K12-F16 HydrophobicContact CB-CB 4.3Å; K12-F16 HydrophobicContact CB-CD2 3.84Å; K12-F16 HydrophobicContact CD-CB 4.42Å; K12-F16 HydrophobicContact CD-CD2 4.11Å
13K39.3Very low47.5Very low196 Ų19681.1 Ų81.185%0.85239%0.389SS*.SBendtrans-53.9-17.2-171-150.8176-175.9-178.10115.3
14Y40.3Very low47.2Very low175 Ų17582.2 Ų82.269%0.68639%0.391SS*.SBendtrans-132.7130.3168.6-55-83.7000104.9K12 F16K12-Y14 CarbonylContact C-O 3.56Å; K12-Y14 CarbonylContact O-C 3.54Å; K12-Y14 PolarHBondContact O-N 3.47Å; Y14-F16 WeakPolarHBondContact O-CD2 3.43Å; Y14-F16 WeakPolarHBondContact O-CE2 3.29Å; Y14-F16 PolarHBondContact O-N 2.61Å
15G38.9Very low46.5Very low44 Ų4486.5 Ų86.545%0.45440%0.402SS..  trans-54.3102.8-160.100000115
16F40.1Very low45.7Very low107 Ų10788.6 Ų88.647%0.46941%0.413SS..  trans-119.3127.6163.9-60.1-79.2000107K12 Y14K12-F16 HydrophobicContact CB-CB 4.3Å; K12-F16 HydrophobicContact CB-CD2 3.84Å; K12-F16 HydrophobicContact CD-CB 4.42Å; K12-F16 HydrophobicContact CD-CD2 4.11Å; Y14-F16 WeakPolarHBondContact O-CD2 3.43Å; Y14-F16 WeakPolarHBondContact O-CE2 3.29Å; Y14-F16 PolarHBondContact O-N 2.61Å
17I44Very low44.8Very low13 Ų1390 Ų907%0.06743%0.43CS..EExtended strand (participates in β ladder)trans-110.696.1172.4-56178.3000107.7I9 F19 L54 I56 Y67 V85I9-I17 HydrophobicContact CG2-CG2 4.23Å; I17-F19 HydrophobicContact CG2-CE1 3.95Å; I17-F19 HydrophobicContact CG2-CZ 3.97Å; I17-L54 CarbonylContact O-C 3.57Å; I17-L54 PolarHBondContact O-N 2.92Å; I17-L54 VanDerWaalsContact O-N 3.14Å; I17-I56 HydrophobicContact CD1-CD1 3.83Å; I17-Y67 HydrophobicContact CD1-CD1 3.8Å; I17-Y67 HydrophobicContact CD1-CD2 4.25Å; I17-Y67 HydrophobicContact CD1-CE1 4.03Å; I17-Y67 HydrophobicContact CD1-CE2 4.48Å; I17-Y67 HydrophobicContact CD1-CG 3.9Å; I17-V85 HydrophobicContact CD1-CG2 3.76Å; I17-V85 HydrophobicContact CG1-CG2 4.36Å
18A40.8Very low44Very low11 Ų1190.2 Ų90.29%0.09143%0.432CS..EExtended strand (participates in β ladder)trans-88.1133.7178.600000111.4I10 Y53I10-A18 HydrophobicContact CB-CB 4.23Å; I10-A18 HydrophobicContact CD1-CB 4.14Å; I10-A18 HydrophobicContact CG1-CB 4.37Å; A18-Y53 HydrophobicContact CB-CD1 3.02Å; A18-Y53 HydrophobicContact CB-CE1 3.36Å; A18-Y53 HydrophobicContact CB-CG 3.89Å
19F50Low43.3Very low18 Ų1890 Ų908%0.07943%0.433CS..  trans-101.2151.4164.3-50.1-63000110I17 L33 E52 Y53 L54 C69I17-F19 HydrophobicContact CG2-CE1 3.95Å; I17-F19 HydrophobicContact CG2-CZ 3.97Å; F19-L33 HydrophobicContact CZ-CD1 3.87Å; F19-L33 HydrophobicContact CZ-CD2 4.41Å; F19-E52 CarbonylContact C-O 3.59Å; F19-E52 WeakPolarHBondContact CB-O 3.18Å; F19-Y53 WeakPolarHBondContact O-CD1 3.11Å; F19-Y53 VanDerWaalsContact O-CE1 3.24Å; F19-Y53 WeakPolarHBondContact O-CE1 3.39Å; F19-L54 HydrophobicContact CD2-CB 4.09Å; F19-L54 HydrophobicContact CE2-CB 3.42Å; F19-L54 VanDerWaalsContact CE2-CB 3.42Å; F19-L54 HydrophobicContact CZ-CB 4.23Å; F19-C69 HydrophobicContact CD1-CB 3.87Å; F19-C69 WeakPolarHBondContact CD1-SG 3.42Å; F19-C69 HydrophobicContact CE1-CB 3.47Å; F19-C69 VanDerWaalsContact CE1-CB 3.47Å; F19-C69 VanDerWaalsContact CE1-SG 3.53Å; F19-C69 HydrophobicContact CZ-CB 4.27Å
20K44.3Very low42.7Very low77 Ų7795.7 Ų95.734%0.33546%0.457SS..  trans-133.2136.2172.8-179.4167.9-178.2135.20107.9E51K20-E51 IonicContact NZ-OE1 3.02Å; K20-E51 PolarHBondContact NZ-OE1 2.93Å
21K46.4Very low42.5Very low28 Ų2895.3 Ų95.312%0.12245%0.454CS..  trans-120.7137.8177.5179.8176.9170.4-162.40109.4V5 N23 I26 C28V5-K21 HydrophobicContact CG1-CD 4.49Å; V5-K21 HydrophobicContact CG1-CG 4.07Å; K21-N23 PolarHBondContact O-N 3.13Å; K21-I26 PolarHBondContact NZ-O 2.92Å; K21-C28 WeakPolarHBondContact CE-SG 3.37Å; K21-C28 PolarHBondContact NZ-SG 3.1Å
22N46.8Very low42.7Very low92 Ų9290.3 Ų90.349%0.49243%0.434SS..  trans-6788.6-173.9-74.6-20.6000113.5K4 E24K4-N22 PolarHBondContact O-ND2 3.21Å; N22-E24 VanDerWaalsContact C-N 3.27Å; N22-E24 PolarHBondContact O-N 3.24Å
23N45.9Very low43.3Very low108 Ų10885 Ų8558%0.57841%0.411SS*.SBendtrans38.221.5151-107.648000122K21K21-N23 PolarHBondContact O-N 3.13Å
24E40.7Very low44.3Very low119 Ų11978.7 Ų78.756%0.55638%0.384SS*.SBendtrans-136.2143.1168.8-83.1-17115800112.8N22 I26N22-E24 VanDerWaalsContact C-N 3.27Å; N22-E24 PolarHBondContact O-N 3.24Å; E24-I26 PolarHBondContact O-N 2.73Å
25R35.6Very low45.5Very low254 Ų25472.5 Ų72.596%0.95836%0.361SS*.  trans-69.688.8178.2-119.2-178.9177.3159.8-1.2110
26I34Very low46.8Very low58 Ų5874.8 Ų74.830%0.29736%0.362SS..  trans-113114.6169.2-57177.3000106.6K21 E24 C28 N73K21-I26 PolarHBondContact NZ-O 2.92Å; E24-I26 PolarHBondContact O-N 2.73Å; I26-C28 PolarHBondContact O-N 2.83Å; I26-N73 WeakPolarHBondContact CD1-ND2 3.4Å
27C34.6Very low47.9Very low110 Ų11077.2 Ų77.274%0.74338%0.375SS*.  trans-57.1104.3170.9-59.80000108.1L29C27-L29 PolarHBondContact O-N 3.31Å
28C36.3Very low48.8Very low10 Ų1083.6 Ų83.67%0.06841%0.405CS..  trans-89.6106.6-179.2-85.80000108.9K21 I26 F30K21-C28 WeakPolarHBondContact CE-SG 3.37Å; K21-C28 PolarHBondContact NZ-SG 3.1Å; I26-C28 PolarHBondContact O-N 2.83Å; C28-F30 VanDerWaalsContact C-N 3.33Å; C28-F30 PolarHBondContact O-N 2.94Å
29L39Very low49.6Very low88 Ų8887.6 Ų87.646%0.46142%0.424SS..SBendtrans-67-25.5-177.4-88.6148.4000114.2C27C27-L29 PolarHBondContact O-N 3.31Å
30F45.1Very low50.1Low157 Ų15789.5 Ų89.569%0.68944%0.435SS*.  trans-151.7100.1179.5-54.4-77.4000113.1C28C28-F30 VanDerWaalsContact C-N 3.33Å; C28-F30 PolarHBondContact O-N 2.94Å
31Q52.4Low50Low53 Ų5391.5 Ų91.525%0.24846%0.457CS..  trans-91.9132.3158.4-62.2-17620.800108.1F47Q31-F47 HydrophobicContact CB-CD2 4.08Å; Q31-F47 HydrophobicContact CB-CE2 4.43Å; Q31-F47 HydrophobicContact CG-CD2 4.32Å
32T54.8Low50.3Low52 Ų5295.1 Ų95.132%0.31947%0.473SS..EExtended strand (participates in β ladder)trans-127.7123.3177.5-49.70000109.6K34 N39 K70T32-K34 HydrophobicContact CG2-CG 4.23Å; T32-N39 WeakPolarHBondContact CG2-OD1 3.4Å; T32-K70 PolarHBondContact O-N 2.64Å
33L59.3Low49.7Very low14 Ų1495.6 Ų95.67%0.07348%0.484CS..EExtended strand (participates in β ladder)trans-97.2131.3166.5-175.967.2000109.3F19 L40 F42 L54 Y67 E68F19-L33 HydrophobicContact CZ-CD1 3.87Å; F19-L33 HydrophobicContact CZ-CD2 4.41Å; L33-L40 HydrophobicContact CD2-CD1 3.71Å; L33-L40 HydrophobicContact CG-CD1 4.05Å; L33-L40 PolarHBondContact O-N 3.46Å; L33-F42 HydrophobicContact CD2-CE2 4.33Å; L33-L54 HydrophobicContact CD2-CD2 3Å; L33-L54 HydrophobicContact CD2-CG 4.45Å; L33-L54 HydrophobicContact CG-CD2 4.42Å; L33-Y67 HydrophobicContact CD1-CD1 4.02Å; L33-Y67 HydrophobicContact CD2-CD1 3.91Å; L33-Y67 HydrophobicContact CD2-CE1 4.27Å; L33-Y67 HydrophobicContact CG-CD1 4.19Å; L33-E68 WeakPolarHBondContact CA-O 3.5Å; L33-E68 WeakPolarHBondContact CD1-O 3.25Å
34K61.8Low49.4Very low65 Ų6594.4 Ų94.428%0.28350%0.497SS..EExtended strand (participates in β ladder)trans-115.3143.2172-62.3179.4-178.8176.90110.9T32 E38 N39 Y67 E68T32-K34 HydrophobicContact CG2-CG 4.23Å; K34-E38 CarbonylContact C-O 3.4Å; K34-E38 WeakPolarHBondContact CA-O 3.46Å; K34-N39 WeakPolarHBondContact CE-OD1 3.36Å; K34-Y67 WeakPolarHBondContact O-CA 3.47Å; K34-E68 HydrophobicContact CB-CB 4.39Å; K34-E68 PolarHBondContact N-O 2.62Å; K34-E68 VanDerWaalsContact N-O 3.09Å; K34-E68 PolarHBondContact O-N 2.78Å
35K64.8Low49.7Very low45 Ų4598.3 Ų98.320%0.19651%0.507CS..EExtended strand (participates in β ladder)trans-116.7120.5165.4178.5-173.4170.2-150.70107.7H37 E38 L40 E62 S64 K66 Y67K35-H37 PolarHBondContact O-N 2.8Å; K35-H37 VanDerWaalsContact O-N 3.15Å; K35-E38 PolarHBondContact N-O 2.84Å; K35-E38 PolarHBondContact O-N 2.61Å; K35-L40 HydrophobicContact CB-CD1 3.84Å; K35-L40 HydrophobicContact CB-CD2 4.29Å; K35-L40 HydrophobicContact CB-CG 3.98Å; K35-E62 WeakPolarHBondContact CE-O 3.22Å; K35-E62 PolarHBondContact NZ-O 2.89Å; K35-S64 WeakPolarHBondContact CE-O 3.41Å; K35-K66 WeakPolarHBondContact CA-O 3.42Å; K35-Y67 HydrophobicContact CB-CE1 4.42Å; K35-Y67 HydrophobicContact CG-CE2 4.48Å
36N66.8Low50.1Low91 Ų9192.2 Ų92.249%0.48749%0.489SS..THydrogen-bonded Turntrans51.239.1179.9-56.4-22.6000113.8E38 K66N36-E38 PolarHBondContact O-N 3.1Å; N36-K66 PolarHBondContact N-O 3.42Å; N36-K66 VanDerWaalsContact N-O 3.11Å; N36-K66 PolarHBondContact OD1-N 3.16Å; N36-K66 VanDerWaalsContact OD1-N 3.16Å
37H62.6Low50.8Low158 Ų15892 Ų9273%0.73149%0.486SS*.THydrogen-bonded Turntrans72.2-1.7-175.9-46.2120.4000116.8K35K35-H37 PolarHBondContact O-N 2.8Å; K35-H37 VanDerWaalsContact O-N 3.15Å
38E63.6Low51.2Low148 Ų14894 Ų9469%0.69249%0.485SS*.EExtended strand (participates in β ladder)trans-87.6134.2170.3-63.6-176.7164.500110.1K34 K35 N36 L40K34-E38 CarbonylContact C-O 3.4Å; K34-E38 WeakPolarHBondContact CA-O 3.46Å; K35-E38 PolarHBondContact N-O 2.84Å; K35-E38 PolarHBondContact O-N 2.61Å; N36-E38 PolarHBondContact O-N 3.1Å; E38-L40 PolarHBondContact O-N 3.3Å
39N57.2Low51.5Low94 Ų9495.3 Ų95.350%0.50350%0.5SS..EExtended strand (participates in β ladder)trans-66.6120173.7-67.1-30.4000108.3T32 K34 C41T32-N39 WeakPolarHBondContact CG2-OD1 3.4Å; K34-N39 WeakPolarHBondContact CE-OD1 3.36Å; N39-C41 VanDerWaalsContact C-N 3.27Å; N39-C41 PolarHBondContact O-N 3.49Å
40L59.4Low51.9Low58 Ų5897.4 Ų97.430%0.30451%0.507SS..  trans-75.292.1164.3-70.8172.1000106.3L33 K35 E38 F42 Y67L33-L40 HydrophobicContact CD2-CD1 3.71Å; L33-L40 HydrophobicContact CG-CD1 4.05Å; L33-L40 PolarHBondContact O-N 3.46Å; K35-L40 HydrophobicContact CB-CD1 3.84Å; K35-L40 HydrophobicContact CB-CD2 4.29Å; K35-L40 HydrophobicContact CB-CG 3.98Å; E38-L40 PolarHBondContact O-N 3.3Å; L40-F42 HydrophobicContact CB-CD2 4.04Å; L40-F42 HydrophobicContact CB-CE2 3.64Å; L40-F42 HydrophobicContact CD1-CE2 4.22Å; L40-F42 HydrophobicContact CG-CE2 4.5Å; L40-F42 WeakPolarHBondContact O-CD2 3.37Å; L40-F42 PolarHBondContact O-N 2.69Å; L40-Y67 HydrophobicContact CD1-CD1 4.33Å; L40-Y67 HydrophobicContact CD1-CE1 3.8Å
41C43.6Very low52.2Low119 Ų11994.7 Ų94.780%0.80450%0.497SS*.  trans-68.582.1174.3-70.20000109.1N39 S43N39-C41 VanDerWaalsContact C-N 3.27Å; N39-C41 PolarHBondContact O-N 3.49Å; C41-S43 PolarHBondContact O-N 2.89Å
42F51.3Low52.3Low104 Ų10494.3 Ų94.346%0.45650%0.495SS..  trans-70.3120.1155.3-65.9-82.4000105.8L33 L40 G44 L54L33-F42 HydrophobicContact CD2-CE2 4.33Å; L40-F42 HydrophobicContact CB-CD2 4.04Å; L40-F42 HydrophobicContact CB-CE2 3.64Å; L40-F42 HydrophobicContact CD1-CE2 4.22Å; L40-F42 HydrophobicContact CG-CE2 4.5Å; L40-F42 WeakPolarHBondContact O-CD2 3.37Å; L40-F42 PolarHBondContact O-N 2.69Å; F42-G44 PolarHBondContact O-N 2.83Å; F42-L54 HydrophobicContact CD1-CD1 4.22Å; F42-L54 HydrophobicContact CD2-CD1 4.07Å; F42-L54 HydrophobicContact CD2-CD2 4.47Å; F42-L54 HydrophobicContact CE1-CD1 3.94Å; F42-L54 HydrophobicContact CE2-CD1 3.77Å; F42-L54 HydrophobicContact CE2-CD2 3.64Å; F42-L54 HydrophobicContact CE2-CG 4.37Å; F42-L54 HydrophobicContact CG-CD1 4.28Å; F42-L54 HydrophobicContact CZ-CD1 3.71Å; F42-L54 HydrophobicContact CZ-CD2 3.87Å; F42-L54 HydrophobicContact CZ-CG 4.32Å
43S35.8Very low52.4Low102 Ų10297.2 Ų97.271%0.71350%0.501SS*.  trans-46.7101.3-178.553.80000111.1C41 R45C41-S43 PolarHBondContact O-N 2.89Å; S43-R45 VanDerWaalsContact C-N 3.3Å; S43-R45 PolarHBondContact O-N 2.91Å
44G40Very low52.4Low83 Ų8397.2 Ų97.286%0.85650%0.501SS*.SBendtrans28.552.1160.100000117.3F42F42-G44 PolarHBondContact O-N 2.83Å
45R45.1Very low52.3Low201 Ų20199.9 Ų99.976%0.75851%0.514SS*.  trans-98.2112.3167.7-81.7-166.4-83.9-161.5-1.9109.2S43 F47S43-R45 VanDerWaalsContact C-N 3.3Å; S43-R45 PolarHBondContact O-N 2.91Å; R45-F47 WeakPolarHBondContact O-CD2 3.41Å; R45-F47 PolarHBondContact O-N 3.1Å
46E45.2Very low52.2Low126 Ų12699 Ų9959%0.58951%0.512SS*.  trans-59.9129157.4-69.3179.717200107.4
47F47.5Very low51.8Low53 Ų53101 Ų10123%0.23252%0.521CS..  trans-88109179.1-79.3-77.1000106.1Q31 R45 E52Q31-F47 HydrophobicContact CB-CD2 4.08Å; Q31-F47 HydrophobicContact CB-CE2 4.43Å; Q31-F47 HydrophobicContact CG-CD2 4.32Å; R45-F47 WeakPolarHBondContact O-CD2 3.41Å; R45-F47 PolarHBondContact O-N 3.1Å; F47-E52 VanDerWaalsContact C-CD 3.4Å; F47-E52 WeakPolarHBondContact CA-OE1 3.26Å; F47-E52 VanDerWaalsContact CA-OE2 3.24Å; F47-E52 WeakPolarHBondContact CA-OE2 3.38Å; F47-E52 WeakPolarHBondContact CB-OE2 3.28Å; F47-E52 HydrophobicContact CD1-CB 3.96Å; F47-E52 HydrophobicContact CD1-CG 4.39Å
48E44.1Very low51.6Low153 Ų15396.3 Ų96.372%0.71552%0.516SS*.  trans-114.877.6178.7-70.4-165.2157.500110.9E52E48-E52 VanDerWaalsContact N-CD 3.27Å; E48-E52 PolarHBondContact N-OE1 3.15Å; E48-E52 PolarHBondContact N-OE2 2.67Å; E48-E52 VanDerWaalsContact N-OE2 3.14Å
49G43.2Very low51.8Low38 Ų3892.6 Ų92.639%0.39250%0.5SS..SBendtrans-165160.617400000115.7E51 E52G49-E51 VanDerWaalsContact C-N 3.33Å; G49-E52 PolarHBondContact N-OE1 3.13Å; G49-E52 PolarHBondContact N-OE2 3.38Å
50E45.6Very low52.6Low132 Ų13291.4 Ų91.462%0.61750%0.496SS*.SBendtrans-74.2-22.7176.8-69.3-176.1167.500112.5
51E51.9Low53.5Low99 Ų9993.6 Ų93.646%0.46350%0.501SS..SBendtrans-144.9103.6171.5-64-164.8156.700109.8K20 G49 Y53K20-E51 IonicContact NZ-OE1 3.02Å; K20-E51 PolarHBondContact NZ-OE1 2.93Å; G49-E51 VanDerWaalsContact C-N 3.33Å; E51-Y53 HydrophobicContact CB-CE2 4.26Å; E51-Y53 PolarHBondContact OE2-OH 2.91Å
52E54.7Low55Low46 Ų4694 Ų9422%0.21549%0.49CS..  trans-120129.5-178.8-75.5178.5119.200111.8F19 F47 E48 G49F19-E52 CarbonylContact C-O 3.59Å; F19-E52 WeakPolarHBondContact CB-O 3.18Å; F47-E52 VanDerWaalsContact C-CD 3.4Å; F47-E52 WeakPolarHBondContact CA-OE1 3.26Å; F47-E52 VanDerWaalsContact CA-OE2 3.24Å; F47-E52 WeakPolarHBondContact CA-OE2 3.38Å; F47-E52 WeakPolarHBondContact CB-OE2 3.28Å; F47-E52 HydrophobicContact CD1-CB 3.96Å; F47-E52 HydrophobicContact CD1-CG 4.39Å; E48-E52 VanDerWaalsContact N-CD 3.27Å; E48-E52 PolarHBondContact N-OE1 3.15Å; E48-E52 PolarHBondContact N-OE2 2.67Å; E48-E52 VanDerWaalsContact N-OE2 3.14Å; G49-E52 PolarHBondContact N-OE1 3.13Å; G49-E52 PolarHBondContact N-OE2 3.38Å
53Y56.8Low56.1Low113 Ų11390.7 Ų90.744%0.44348%0.477SS..EExtended strand (participates in β ladder)trans-116.8145.1-172.7-53.3-58.4000109.9A18 F19 E51A18-Y53 HydrophobicContact CB-CD1 3.02Å; A18-Y53 HydrophobicContact CB-CE1 3.36Å; A18-Y53 HydrophobicContact CB-CG 3.89Å; F19-Y53 WeakPolarHBondContact O-CD1 3.11Å; F19-Y53 VanDerWaalsContact O-CE1 3.24Å; F19-Y53 WeakPolarHBondContact O-CE1 3.39Å; E51-Y53 HydrophobicContact CB-CE2 4.26Å; E51-Y53 PolarHBondContact OE2-OH 2.91Å
54L60.2Low58Low14 Ų1487.7 Ų87.77%0.07346%0.456CS..EExtended strand (participates in β ladder)trans-88118.9165178.372.4000110I17 F19 L33 F42 I56I17-L54 CarbonylContact O-C 3.57Å; I17-L54 PolarHBondContact O-N 2.92Å; I17-L54 VanDerWaalsContact O-N 3.14Å; F19-L54 HydrophobicContact CD2-CB 4.09Å; F19-L54 HydrophobicContact CE2-CB 3.42Å; F19-L54 VanDerWaalsContact CE2-CB 3.42Å; F19-L54 HydrophobicContact CZ-CB 4.23Å; L33-L54 HydrophobicContact CD2-CD2 3Å; L33-L54 HydrophobicContact CD2-CG 4.45Å; L33-L54 HydrophobicContact CG-CD2 4.42Å; F42-L54 HydrophobicContact CD1-CD1 4.22Å; F42-L54 HydrophobicContact CD2-CD1 4.07Å; F42-L54 HydrophobicContact CD2-CD2 4.47Å; F42-L54 HydrophobicContact CE1-CD1 3.94Å; F42-L54 HydrophobicContact CE2-CD1 3.77Å; F42-L54 HydrophobicContact CE2-CD2 3.64Å; F42-L54 HydrophobicContact CE2-CG 4.37Å; F42-L54 HydrophobicContact CG-CD1 4.28Å; F42-L54 HydrophobicContact CZ-CD1 3.71Å; F42-L54 HydrophobicContact CZ-CD2 3.87Å; F42-L54 HydrophobicContact CZ-CG 4.32Å; L54-I56 HydrophobicContact CD2-CD1 4.33Å; L54-I56 HydrophobicContact CD2-CG1 3.98Å; L54-I56 HydrophobicContact CG-CG1 4.18Å
55E58Low59.6Low120 Ų12084.4 Ų84.456%0.56142%0.422SS*.  trans-90.9121.2168.9-164.9171.7-15700110.1L57E55-L57 VanDerWaalsContact CD-CD2 3.46Å; E55-L57 HydrophobicContact CG-CD2 3.69Å; E55-L57 HydrophobicContact CG-CG 4Å; E55-L57 WeakPolarHBondContact OE1-CD2 3.43Å
56I63.3Low61Low28 Ų2879.4 Ų79.414%0.14441%0.405CS..  trans-101.899.5169.1-54178000106.8I17 L54 I59 Q63 Y67I17-I56 HydrophobicContact CD1-CD1 3.83Å; L54-I56 HydrophobicContact CD2-CD1 4.33Å; L54-I56 HydrophobicContact CD2-CG1 3.98Å; L54-I56 HydrophobicContact CG-CG1 4.18Å; I56-I59 HydrophobicContact CB-CD1 3.81Å; I56-I59 HydrophobicContact CG2-CD1 3.56Å; I56-I59 WeakPolarHBondContact O-CD1 3.44Å; I56-Q63 HydrophobicContact CG2-CG 3.88Å; I56-Y67 HydrophobicContact CD1-CE1 3.67Å
57L59.2Low62.3Low131 Ų13173.6 Ų73.669%0.68638%0.378SS*.  trans-79150.4175.5-63.1176.6000110.6E55E55-L57 VanDerWaalsContact CD-CD2 3.46Å; E55-L57 HydrophobicContact CG-CD2 3.69Å; E55-L57 HydrophobicContact CG-CG 4Å; E55-L57 WeakPolarHBondContact OE1-CD2 3.43Å
58G57.9Low63.5Low60 Ų6072.8 Ų72.862%0.61938%0.375SS*.SBendtrans63.253.4175.900000113.1T60 Q63G58-T60 PolarHBondContact O-N 2.79Å; G58-T60 VanDerWaalsContact O-N 3.14Å; G58-Q63 PolarHBondContact O-NE2 2.92Å; G58-Q63 VanDerWaalsContact O-NE2 3.16Å
59I68.1Low64.8Low71 Ų7165.8 Ų65.836%0.36434%0.343SS..  trans-58.4116.6177.2-59.2-67.4000110I56 Q63 V87I56-I59 HydrophobicContact CB-CD1 3.81Å; I56-I59 HydrophobicContact CG2-CD1 3.56Å; I56-I59 WeakPolarHBondContact O-CD1 3.44Å; I59-Q63 HydrophobicContact CD1-CB 4.35Å; I59-Q63 HydrophobicContact CD1-CG 4.28Å; I59-Q63 HydrophobicContact CG2-CB 4.49Å; I59-V87 HydrophobicContact CG2-CB 4.34Å; I59-V87 HydrophobicContact CG2-CG1 3.73Å; I59-V87 HydrophobicContact CG2-CG2 3.59Å
60T74.4Confident66Low69 Ų6968.5 Ų68.542%0.42334%0.344SS..  trans-110.2-180168.263.90000109.5G58 E62 Q63G58-T60 PolarHBondContact O-N 2.79Å; G58-T60 VanDerWaalsContact O-N 3.14Å; T60-E62 WeakPolarHBondContact CB-OE2 3.39Å; T60-E62 PolarHBondContact O-N 3.21Å; T60-E62 PolarHBondContact OG1-OE2 3Å; T60-Q63 VanDerWaalsContact N-CD 3.29Å; T60-Q63 PolarHBondContact O-N 2.9Å; T60-Q63 PolarHBondContact O-OE1 2.94Å; T60-Q63 PolarHBondContact OG1-NE2 2.78Å; T60-Q63 PolarHBondContact OG1-OE1 2.92Å
61R77.6Confident67.1Low104 Ų10462.4 Ų62.439%0.39232%0.317SS..G310 helixtrans-65.5-28.9-176.2-62.5-179.6-174-173.50.2111.2Q63 S64 Y89 T92R61-Q63 PolarHBondContact O-N 3.06Å; R61-S64 WeakPolarHBondContact O-CB 3.43Å; R61-S64 PolarHBondContact O-N 2.89Å; R61-S64 VanDerWaalsContact O-N 3.13Å; R61-S64 PolarHBondContact O-OG 2.81Å; R61-S64 VanDerWaalsContact O-OG 3.1Å; R61-Y89 HydrophobicContact CG-CD1 4.01Å; R61-Y89 HydrophobicContact CG-CE1 4.17Å; R61-Y89 HydrophobicContact CG-CG 4.46Å; R61-T92 PolarHBondContact NH2-OG1 3.3Å
62E75.8Confident67.7Low126 Ų12659.5 Ų59.559%0.58931%0.309SS*.G310 helixtrans-61.9-30.9-177.8-64.167.7-14500111.4K35 T60 S64K35-E62 WeakPolarHBondContact CE-O 3.22Å; K35-E62 PolarHBondContact NZ-O 2.89Å; T60-E62 WeakPolarHBondContact CB-OE2 3.39Å; T60-E62 PolarHBondContact O-N 3.21Å; T60-E62 PolarHBondContact OG1-OE2 3Å; E62-S64 PolarHBondContact O-N 2.81Å; E62-S64 VanDerWaalsContact O-N 3.12Å
63Q73.4Confident68.1Low35 Ų3558.6 Ų58.616%0.16431%0.306CS..G310 helixtrans-70-2.8178.9-71.778.2-10.500112.5I56 G58 I59 T60 R61 Y67 V87I56-Q63 HydrophobicContact CG2-CG 3.88Å; G58-Q63 PolarHBondContact O-NE2 2.92Å; G58-Q63 VanDerWaalsContact O-NE2 3.16Å; I59-Q63 HydrophobicContact CD1-CB 4.35Å; I59-Q63 HydrophobicContact CD1-CG 4.28Å; I59-Q63 HydrophobicContact CG2-CB 4.49Å; T60-Q63 VanDerWaalsContact N-CD 3.29Å; T60-Q63 PolarHBondContact O-N 2.9Å; T60-Q63 PolarHBondContact O-OE1 2.94Å; T60-Q63 PolarHBondContact OG1-NE2 2.78Å; T60-Q63 PolarHBondContact OG1-OE1 2.92Å; R61-Q63 PolarHBondContact O-N 3.06Å; Q63-Y67 VanDerWaalsContact O-CE2 3.24Å; Q63-Y67 WeakPolarHBondContact O-CE2 3.44Å; Q63-Y67 PolarHBondContact O-OH 2.72Å; Q63-V87 HydrophobicContact CB-CG2 4.32Å
64S75.2Confident68.5Low40 Ų4061.7 Ų61.728%0.2833%0.325SS..  trans-65.8139.5166.2-58.30000110.4K35 R61 E62 V85 V87K35-S64 WeakPolarHBondContact CE-O 3.41Å; R61-S64 WeakPolarHBondContact O-CB 3.43Å; R61-S64 PolarHBondContact O-N 2.89Å; R61-S64 VanDerWaalsContact O-N 3.13Å; R61-S64 PolarHBondContact O-OG 2.81Å; R61-S64 VanDerWaalsContact O-OG 3.1Å; E62-S64 PolarHBondContact O-N 2.81Å; E62-S64 VanDerWaalsContact O-N 3.12Å; S64-V85 WeakPolarHBondContact CA-O 3.01Å; S64-V87 WeakPolarHBondContact OG-CB 3.36Å; S64-V87 WeakPolarHBondContact OG-CG2 3.46Å; S64-V87 PolarHBondContact OG-N 2.8Å
65G73.6Confident68.6Low13 Ų1367.3 Ų67.313%0.13436%0.359CS..EExtended strand (participates in β ladder)trans159.3-177.8178.500000114.1Y67 V85G65-Y67 WeakPolarHBondContact O-CD2 3.32Å; G65-V85 PolarHBondContact N-O 2.87Å; G65-V85 PolarHBondContact O-N 3.48Å
66K75.9Confident69Low96 Ų9663.1 Ų63.142%0.41734%0.343SS..EExtended strand (participates in β ladder)trans-89.9118.8174-169.5177.6180-175.20109.1K35 N36 V83K35-K66 WeakPolarHBondContact CA-O 3.42Å; N36-K66 PolarHBondContact N-O 3.42Å; N36-K66 VanDerWaalsContact N-O 3.11Å; N36-K66 PolarHBondContact OD1-N 3.16Å; N36-K66 VanDerWaalsContact OD1-N 3.16Å; K66-V83 CarbonylContact C-O 3.59Å; K66-V83 WeakPolarHBondContact CA-O 3.2Å
67Y72.6Confident69.1Low5 Ų567.1 Ų67.12%0.0237%0.374CS..EExtended strand (participates in β ladder)trans-100.8133.1177.2-74-99.4000109.6I17 L33 K34 K35 L40 I56 Q63 G65 Q82 V83 V85I17-Y67 HydrophobicContact CD1-CD1 3.8Å; I17-Y67 HydrophobicContact CD1-CD2 4.25Å; I17-Y67 HydrophobicContact CD1-CE1 4.03Å; I17-Y67 HydrophobicContact CD1-CE2 4.48Å; I17-Y67 HydrophobicContact CD1-CG 3.9Å; L33-Y67 HydrophobicContact CD1-CD1 4.02Å; L33-Y67 HydrophobicContact CD2-CD1 3.91Å; L33-Y67 HydrophobicContact CD2-CE1 4.27Å; L33-Y67 HydrophobicContact CG-CD1 4.19Å; K34-Y67 WeakPolarHBondContact O-CA 3.47Å; K35-Y67 HydrophobicContact CB-CE1 4.42Å; K35-Y67 HydrophobicContact CG-CE2 4.48Å; L40-Y67 HydrophobicContact CD1-CD1 4.33Å; L40-Y67 HydrophobicContact CD1-CE1 3.8Å; I56-Y67 HydrophobicContact CD1-CE1 3.67Å; Q63-Y67 VanDerWaalsContact O-CE2 3.24Å; Q63-Y67 WeakPolarHBondContact O-CE2 3.44Å; Q63-Y67 PolarHBondContact O-OH 2.72Å; G65-Y67 WeakPolarHBondContact O-CD2 3.32Å; Y67-Q82 CarbonylContact O-C 3.5Å; Y67-Q82 VanDerWaalsContact O-CA 3.27Å; Y67-Q82 WeakPolarHBondContact O-CA 3.37Å; Y67-V83 PolarHBondContact N-O 3.12Å; Y67-V83 PolarHBondContact O-N 3.03Å; Y67-V85 HydrophobicContact CD2-CB 3.74Å; Y67-V85 HydrophobicContact CD2-CG2 3.5Å; Y67-V85 VanDerWaalsContact CD2-CG2 3.5Å; Y67-V85 HydrophobicContact CE2-CB 3.75Å; Y67-V85 HydrophobicContact CE2-CG1 4.41Å; Y67-V85 HydrophobicContact CE2-CG2 3.93Å; Y67-V85 HydrophobicContact CG-CG2 4.21Å
68E72.4Confident69.6Low35 Ų3562.6 Ų62.616%0.16436%0.355CS..EExtended strand (participates in β ladder)trans-122.3125176.8178.8177.696.900110.3L33 K34 V80 K81 Q82L33-E68 WeakPolarHBondContact CA-O 3.5Å; L33-E68 WeakPolarHBondContact CD1-O 3.25Å; K34-E68 HydrophobicContact CB-CB 4.39Å; K34-E68 PolarHBondContact N-O 2.62Å; K34-E68 VanDerWaalsContact N-O 3.09Å; K34-E68 PolarHBondContact O-N 2.78Å; E68-V80 HydrophobicContact CG-CG1 3.64Å; E68-K81 CarbonylContact C-O 3.52Å; E68-K81 WeakPolarHBondContact CA-O 3.34Å; E68-Q82 HydrophobicContact CB-CG 4.09Å; E68-Q82 HydrophobicContact CG-CG 3.99Å; E68-Q82 PolarHBondContact OE2-NE2 2.71Å
69C70.8Confident70.1Confident7 Ų761.5 Ų61.55%0.04734%0.335CS..EExtended strand (participates in β ladder)trans-102.6127.3170.1-175.10000109.3C7 F19 V80 K81C7-C69 HydrophobicContact CB-CB 4.45Å; C7-C69 PolarHBondContact SG-SG 2.7Å; F19-C69 HydrophobicContact CD1-CB 3.87Å; F19-C69 WeakPolarHBondContact CD1-SG 3.42Å; F19-C69 HydrophobicContact CE1-CB 3.47Å; F19-C69 VanDerWaalsContact CE1-CB 3.47Å; F19-C69 VanDerWaalsContact CE1-SG 3.53Å; F19-C69 HydrophobicContact CZ-CB 4.27Å; C69-V80 WeakPolarHBondContact O-CA 3.29Å; C69-K81 PolarHBondContact N-O 2.87Å; C69-K81 PolarHBondContact O-N 2.9Å
70K69.5Low70.4Confident94 Ų9461 Ų6141%0.40934%0.335SS..EExtended strand (participates in β ladder)trans-121.3123.1173.3179.8176.7-179.7-172.60109.7T32 A78 D79 V80T32-K70 PolarHBondContact O-N 2.64Å; K70-A78 HydrophobicContact CD-CB 4.25Å; K70-A78 HydrophobicContact CG-CB 3.91Å; K70-D79 WeakPolarHBondContact CA-O 3.31Å; K70-V80 HydrophobicContact CB-CG2 4.27Å; K70-V80 HydrophobicContact CD-CG2 4.41Å; K70-V80 HydrophobicContact CG-CG2 3.97Å
71A68.5Low70.4Confident5 Ų561.2 Ų61.24%0.04133%0.33CS..EExtended strand (participates in β ladder)trans-115.7131.1168.900000110.1V5 C7 A78 D79V5-A71 HydrophobicContact CB-CB 4.21Å; V5-A71 HydrophobicContact CG1-CB 3.46Å; V5-A71 VanDerWaalsContact CG1-CB 3.46Å; C7-A71 WeakPolarHBondContact SG-CB 3.41Å; A71-A78 CarbonylContact O-C 3.57Å; A71-A78 WeakPolarHBondContact O-CA 3.32Å; A71-A78 WeakPolarHBondContact O-CB 3.33Å; A71-D79 PolarHBondContact N-O 2.91Å; A71-D79 PolarHBondContact O-N 3.48Å
72A64.8Low70.2Confident38 Ų3861 Ų6131%0.31433%0.334SS..EExtended strand (participates in β ladder)trans-131.9140.9177.400000109.5A78A72-A78 HydrophobicContact CB-CB 3.79Å
73N62.7Low70.1Confident27 Ų2756.4 Ų56.414%0.14431%0.314CS..EExtended strand (participates in β ladder)trans-108.6158.9163.5-75.3-6.7000108.4V5 I26 V75 S76V5-N73 WeakPolarHBondContact CG2-ND2 3.16Å; V5-N73 VanDerWaalsContact CG2-OD1 3.25Å; V5-N73 WeakPolarHBondContact CG2-OD1 3.32Å; I26-N73 WeakPolarHBondContact CD1-ND2 3.4Å; N73-V75 PolarHBondContact O-N 3.07Å; N73-S76 PolarHBondContact O-N 2.96Å
74E64.8Low70.2Confident178 Ų17862.5 Ų62.583%0.83234%0.34SS*.THydrogen-bonded Turntrans-59.4-17.6179.1-61.9-169.4156.300113.8
75V63.1Low70.1Confident132 Ų13262 Ų6280%0.834%0.336SS*.THydrogen-bonded Turntrans-112.6-10.7-170-170.60000112.6N73N73-V75 PolarHBondContact O-N 3.07Å
76S65.9Low70.3Confident32 Ų3264.6 Ų64.622%0.22435%0.348CS..EExtended strand (participates in β ladder)trans-128.7151.8-175.274.30000113.2N73 A78N73-S76 PolarHBondContact O-N 2.96Å; S76-A78 PolarHBondContact O-N 3.12Å
77S65.9Low70.5Confident112 Ų11261.1 Ų61.178%0.78334%0.335SS*.EExtended strand (participates in β ladder)trans-54.6138.4164.857.50000110.2D79S77-D79 PolarHBondContact O-N 2.89Å
78A68.7Low71.1Confident36 Ų3664.2 Ų64.230%0.29835%0.352SS..EExtended strand (participates in β ladder)trans-62133179.500000111.6K70 A71 A72 S76K70-A78 HydrophobicContact CD-CB 4.25Å; K70-A78 HydrophobicContact CG-CB 3.91Å; A71-A78 CarbonylContact O-C 3.57Å; A71-A78 WeakPolarHBondContact O-CA 3.32Å; A71-A78 WeakPolarHBondContact O-CB 3.33Å; A72-A78 HydrophobicContact CB-CB 3.79Å; S76-A78 PolarHBondContact O-N 3.12Å
79D68.8Low71.8Confident36 Ų3664.5 Ų64.519%0.19335%0.352CS..EExtended strand (participates in β ladder)trans-81.2133.7165.6-170.225000108.9V5 H6 C7 K70 A71 S77 K81V5-D79 WeakPolarHBondContact O-CB 3.4Å; H6-D79 VanDerWaalsContact CA-OD2 3.3Å; H6-D79 WeakPolarHBondContact CA-OD2 3.48Å; H6-D79 IonicContact CE1-OD2 2.78Å; H6-D79 IonicContact CG-OD2 3.94Å; H6-D79 IonicContact ND1-OD2 2.84Å; H6-D79 PolarHBondContact ND1-OD2 2.61Å; C7-D79 PolarHBondContact N-OD2 3.36Å; K70-D79 WeakPolarHBondContact CA-O 3.31Å; A71-D79 PolarHBondContact N-O 2.91Å; A71-D79 PolarHBondContact O-N 3.48Å; S77-D79 PolarHBondContact O-N 2.89Å; D79-K81 IonicContact OD1-NZ 3.25Å
80V74.3Confident72.9Confident61 Ų6167.1 Ų67.137%0.3737%0.369SS..EExtended strand (participates in β ladder)trans-129.9126.9-176.3-177.40000109.3E68 C69 K70E68-V80 HydrophobicContact CG-CG1 3.64Å; C69-V80 WeakPolarHBondContact O-CA 3.29Å; K70-V80 HydrophobicContact CB-CG2 4.27Å; K70-V80 HydrophobicContact CD-CG2 4.41Å; K70-V80 HydrophobicContact CG-CG2 3.97Å
81K73.4Confident74.2Confident73 Ų7363 Ų6332%0.31735%0.352SS..EExtended strand (participates in β ladder)trans-124144.3172.6-61.7-61.6175.4-166.30110.8C7 I9 E68 C69 D79C7-K81 HydrophobicContact CB-CB 4.29Å; C7-K81 HydrophobicContact CB-CG 3.69Å; C7-K81 VanDerWaalsContact O-CE 3.24Å; C7-K81 WeakPolarHBondContact O-CE 3.36Å; C7-K81 WeakPolarHBondContact O-CG 2.96Å; I9-K81 HydrophobicContact CD1-CB 3.73Å; I9-K81 HydrophobicContact CG1-CB 4.11Å; E68-K81 CarbonylContact C-O 3.52Å; E68-K81 WeakPolarHBondContact CA-O 3.34Å; C69-K81 PolarHBondContact N-O 2.87Å; C69-K81 PolarHBondContact O-N 2.9Å; D79-K81 IonicContact OD1-NZ 3.25Å
82Q73.3Confident75.6Confident100 Ų10065.8 Ų65.847%0.46737%0.369SS..EExtended strand (participates in β ladder)trans-126.9140.5179.4-66.1175.2-8.500110.1Y67 E68Y67-Q82 CarbonylContact O-C 3.5Å; Y67-Q82 VanDerWaalsContact O-CA 3.27Å; Y67-Q82 WeakPolarHBondContact O-CA 3.37Å; E68-Q82 HydrophobicContact CB-CG 4.09Å; E68-Q82 HydrophobicContact CG-CG 3.99Å; E68-Q82 PolarHBondContact OE2-NE2 2.71Å
83V73.7Confident77.2Confident29 Ų2965.8 Ų65.818%0.17636%0.363CS..EExtended strand (participates in β ladder)trans-134.8148.8173.570.20000109.8I9 K66 Y67 V85I9-V83 HydrophobicContact CB-CB 4.47Å; I9-V83 HydrophobicContact CD1-CB 3.79Å; I9-V83 HydrophobicContact CD1-CG1 3.84Å; I9-V83 HydrophobicContact CG2-CB 3.79Å; I9-V83 HydrophobicContact CG2-CG1 3.69Å; I9-V83 HydrophobicContact CG2-CG2 4.05Å; K66-V83 CarbonylContact C-O 3.59Å; K66-V83 WeakPolarHBondContact CA-O 3.2Å; Y67-V83 PolarHBondContact N-O 3.12Å; Y67-V83 PolarHBondContact O-N 3.03Å; V83-V85 HydrophobicContact CG1-CG2 3.88Å
84K76.1Confident78.8Confident163 Ų16368.6 Ų68.671%0.70938%0.381SS*.EExtended strand (participates in β ladder)trans-98.6113.2167.3-177.4178.9178.1-179.50108.4
85V73.1Confident80.4Confident31 Ų3163.2 Ų63.219%0.18836%0.356CS..EExtended strand (participates in β ladder)trans-94.3129.1174.4179.50000108.5I17 S64 G65 Y67 V83I17-V85 HydrophobicContact CD1-CG2 3.76Å; I17-V85 HydrophobicContact CG1-CG2 4.36Å; S64-V85 WeakPolarHBondContact CA-O 3.01Å; G65-V85 PolarHBondContact N-O 2.87Å; G65-V85 PolarHBondContact O-N 3.48Å; Y67-V85 HydrophobicContact CD2-CB 3.74Å; Y67-V85 HydrophobicContact CD2-CG2 3.5Å; Y67-V85 VanDerWaalsContact CD2-CG2 3.5Å; Y67-V85 HydrophobicContact CE2-CB 3.75Å; Y67-V85 HydrophobicContact CE2-CG1 4.41Å; Y67-V85 HydrophobicContact CE2-CG2 3.93Å; Y67-V85 HydrophobicContact CG-CG2 4.21Å; V83-V85 HydrophobicContact CG1-CG2 3.88Å
86T77Confident82Confident66 Ų6659.7 Ų59.741%0.40534%0.337SS..  trans-120.2121.1177.2-53.50000109.1N88 V116T86-N88 PolarHBondContact O-N 3Å; T86-V116 HydrophobicContact CG2-CG1 3.58Å
87V81.1Confident83.5Confident23 Ų2362.7 Ų62.714%0.13935%0.346CS..  trans-85.7110.7174.8-178.90000108.1I59 Q63 S64 Y89I59-V87 HydrophobicContact CG2-CB 4.34Å; I59-V87 HydrophobicContact CG2-CG1 3.73Å; I59-V87 HydrophobicContact CG2-CG2 3.59Å; Q63-V87 HydrophobicContact CB-CG2 4.32Å; S64-V87 WeakPolarHBondContact OG-CB 3.36Å; S64-V87 WeakPolarHBondContact OG-CG2 3.46Å; S64-V87 PolarHBondContact OG-N 2.8Å; V87-Y89 WeakPolarHBondContact O-CD1 3.43Å
88N85.9Confident85.1Confident71 Ų7160 Ų6038%0.3833%0.327SS..  trans-79.5141.6175.6-61.2-34.2000109.9T86 V116 L168T86-N88 PolarHBondContact O-N 3Å; N88-V116 CarbonylContact C-O 3.55Å; N88-V116 WeakPolarHBondContact CA-O 3.25Å; N88-V116 VanDerWaalsContact CB-O 3.25Å; N88-V116 WeakPolarHBondContact CB-O 3.15Å; N88-V116 WeakPolarHBondContact OD1-CG1 3.32Å; N88-L168 VanDerWaalsContact C-CD1 3.48Å; N88-L168 HydrophobicContact CB-CD1 3.49Å; N88-L168 VanDerWaalsContact CB-CD1 3.49Å
89Y85.6Confident86.5Confident40 Ų4061.3 Ų61.316%0.15733%0.329CS..EExtended strand (participates in β ladder)trans-146.9152.2177.756-89000111.2R61 V87 S114 A115 V116 N166R61-Y89 HydrophobicContact CG-CD1 4.01Å; R61-Y89 HydrophobicContact CG-CE1 4.17Å; R61-Y89 HydrophobicContact CG-CG 4.46Å; V87-Y89 WeakPolarHBondContact O-CD1 3.43Å; Y89-S114 WeakPolarHBondContact CE2-OG 3.22Å; Y89-S114 PolarHBondContact OH-OG 2.91Å; Y89-A115 VanDerWaalsContact CE2-CA 3.4Å; Y89-V116 HydrophobicContact CD1-CB 4.04Å; Y89-V116 HydrophobicContact CD1-CG2 4.22Å; Y89-V116 HydrophobicContact CE1-CB 3.73Å; Y89-V116 HydrophobicContact CE1-CG2 3.4Å; Y89-V116 PolarHBondContact N-O 2.84Å; Y89-V116 PolarHBondContact O-N 2.83Å; Y89-V116 VanDerWaalsContact O-O 3.06Å; Y89-N166 PolarHBondContact O-ND2 2.84Å
90P93.9Very high87.8Confident62 Ų6265 Ų6540%0.40335%0.346SS..EExtended strand (participates in β ladder)trans-67.8160.4178.730.2-36.7000111.4L168P90-L168 HydrophobicContact CB-CB 4.16Å
91P97.6Very high88.9Confident8 Ų862.5 Ų62.55%0.05233%0.331CS..EExtended strand (participates in β ladder)trans-64.9141.7-177.9-18.333.5000112.1S114 A115 P119 A164 N166 G169 T171P91-S114 CarbonylContact C-O 3.54Å; P91-S114 WeakPolarHBondContact CA-O 3.37Å; P91-A115 HydrophobicContact CB-CB 3.81Å; P91-A115 HydrophobicContact CG-CB 3.83Å; P91-P119 HydrophobicContact CB-CB 4.14Å; P91-P119 HydrophobicContact CG-CB 3.98Å; P91-A164 HydrophobicContact CB-CB 4.15Å; P91-N166 WeakPolarHBondContact CD-OD1 3.47Å; P91-N166 HydrophobicContact CG-CB 4.08Å; P91-G169 VanDerWaalsContact CD-O 3.29Å; P91-G169 WeakPolarHBondContact CD-O 3.13Å; P91-T171 HydrophobicContact CB-CG2 3.84Å; P91-T171 WeakPolarHBondContact O-CG2 3.43Å
92T97.3Very high89.9Confident64 Ų6461.2 Ų61.239%0.39333%0.329SS..EExtended strand (participates in β ladder)trans-129.3125.6171-51.10000108.2R61 T94 A113 S114R61-T92 PolarHBondContact NH2-OG1 3.3Å; T92-T94 PolarHBondContact O-N 3.04Å; T92-A113 CarbonylContact O-C 3.56Å; T92-A113 VanDerWaalsContact O-CA 3.26Å; T92-A113 WeakPolarHBondContact O-CA 2.99Å; T92-S114 PolarHBondContact N-O 2.94Å; T92-S114 PolarHBondContact O-N 2.86Å
93I98.1Very high91Very high38 Ų3859.4 Ų59.420%0.19533%0.325CS..EExtended strand (participates in β ladder)trans-64123174.7-58-55.5000108.9E112 A113 A164 T171 A173I93-E112 WeakPolarHBondContact CA-O 3.43Å; I93-A113 HydrophobicContact CD1-CB 4Å; I93-A164 HydrophobicContact CD1-CB 4.11Å; I93-T171 HydrophobicContact CD1-CG2 3.67Å; I93-T171 HydrophobicContact CG1-CG2 3.74Å; I93-A173 HydrophobicContact CB-CB 4.5Å; I93-A173 HydrophobicContact CG1-CB 4.01Å; I93-A173 HydrophobicContact CG2-CB 3.98Å
94T97.6Very high92Very high86 Ų8660.2 Ų60.253%0.52834%0.339SS..EExtended strand (participates in β ladder)trans-99.2-31.9177.749.10000111.8T92 E112T92-T94 PolarHBondContact O-N 3.04Å; T94-E112 PolarHBondContact N-O 2.95Å; T94-E112 WeakPolarHBondContact OG1-CB 3.39Å; T94-E112 PolarHBondContact OG1-O 2.85Å
95E97.6Very high92.9Very high65 Ų6560.9 Ų60.930%0.30434%0.337SS..EExtended strand (participates in β ladder)trans-150.2142.4177.7-168.2175.3-134.600111.2K97 C111 E112E95-K97 HydrophobicContact CG-CG 4.25Å; E95-K97 WeakPolarHBondContact OE1-CE 3.29Å; E95-K97 IonicContact OE1-NZ 3.91Å; E95-K97 PolarHBondContact OE1-NZ 3.32Å; E95-K97 WeakPolarHBondContact OE2-CE 3.36Å; E95-K97 IonicContact OE2-NZ 3.84Å; E95-K97 PolarHBondContact OE2-NZ 3.16Å; E95-C111 CarbonylContact O-C 3.35Å; E95-E112 HydrophobicContact CB-CB 4.01Å; E95-E112 HydrophobicContact CB-CG 4.2Å; E95-E112 PolarHBondContact N-O 3.43Å; E95-E112 PolarHBondContact O-N 2.81Å
96S97.4Very high94.1Very high57 Ų5765.3 Ų65.340%0.39936%0.356SS..EExtended strand (participates in β ladder)trans-139.7125.1169.758.60000109.4K110S96-K110 CarbonylContact C-O 3.58Å; S96-K110 WeakPolarHBondContact CA-O 3.27Å
97K97.9Very high95.1Very high95 Ų9562.5 Ų62.541%0.41334%0.339SS..EExtended strand (participates in β ladder)trans-119.2108.3-176.6-73.7172.1165.5143.10111.5E95 K110 L175E95-K97 HydrophobicContact CG-CG 4.25Å; E95-K97 WeakPolarHBondContact OE1-CE 3.29Å; E95-K97 IonicContact OE1-NZ 3.91Å; E95-K97 PolarHBondContact OE1-NZ 3.32Å; E95-K97 WeakPolarHBondContact OE2-CE 3.36Å; E95-K97 IonicContact OE2-NZ 3.84Å; E95-K97 PolarHBondContact OE2-NZ 3.16Å; K97-K110 HydrophobicContact CB-CB 4.2Å; K97-K110 HydrophobicContact CD-CD 4.27Å; K97-K110 PolarHBondContact N-O 3.24Å; K97-K110 PolarHBondContact O-N 2.84Å; K97-L175 WeakPolarHBondContact O-CD2 3.21Å
98S98Very high95.9Very high56 Ų5663.4 Ų63.439%0.39235%0.347SS..  trans-67.5163.9165-650000111V176S98-V176 WeakPolarHBondContact CB-O 2.9Å; S98-V176 PolarHBondContact OG-N 2.76Å
99N97.9Very high96.5Very high64 Ų6460.2 Ų60.234%0.34233%0.329SS..EExtended strand (participates in β ladder)trans-145.4164-178.7-155.1-13.2000111.3S108 L109 V176 L177 F178N99-S108 WeakPolarHBondContact CB-O 3.22Å; N99-S108 PolarHBondContact ND2-N 2.04Å; N99-S108 PolarHBondContact ND2-O 2.82Å; N99-L109 HydrophobicContact CB-CD2 4.01Å; N99-V176 PolarHBondContact N-O 2.99Å; N99-V176 VanDerWaalsContact N-O 3.16Å; N99-L177 HydrophobicContact CB-CD1 4.28Å; N99-L177 WeakPolarHBondContact O-CA 3.17Å; N99-F178 PolarHBondContact O-N 3.09Å
100E96.9Very high97.1Very high114 Ų11461 Ų6153%0.53333%0.334SS..EExtended strand (participates in β ladder)trans-126.7138.7174.9-36-169.3164.900110.1F178 R180E100-F178 VanDerWaalsContact CA-O 3.32Å; E100-F178 WeakPolarHBondContact CA-O 3.41Å; E100-F178 HydrophobicContact CB-CB 4.04Å; E100-F178 HydrophobicContact CG-CB 3.86Å; E100-F178 HydrophobicContact CG-CD2 4.07Å; E100-F178 HydrophobicContact CG-CG 4.36Å; E100-R180 HydrophobicContact CB-CB 4.3Å
101A96.7Very high97.3Very high7 Ų758 Ų586%0.05831%0.314CS..EExtended strand (participates in β ladder)trans-146.1152.2179.900000112.5A107 V152 Y157 L177 F178 R180A101-A107 HydrophobicContact CB-CB 3.65Å; A101-V152 HydrophobicContact CB-CG2 4.2Å; A101-Y157 VanDerWaalsContact O-CE1 3.29Å; A101-Y157 WeakPolarHBondContact O-CE1 3.42Å; A101-Y157 PolarHBondContact O-OH 2.83Å; A101-L177 HydrophobicContact CB-CD1 4.31Å; A101-F178 PolarHBondContact N-O 2.94Å; A101-R180 PolarHBondContact O-N 3.43Å
102T95.8Very high97.3Very high46 Ų4659.8 Ų59.828%0.28232%0.322SS..  trans-89.4145.1169.8-56.60000109.4G104 R105 R180T102-G104 PolarHBondContact O-N 2.94Å; T102-R105 VanDerWaalsContact O-CB 3.31Å; T102-R105 WeakPolarHBondContact O-CB 3.38Å; T102-R105 PolarHBondContact O-N 2.93Å; T102-R105 VanDerWaalsContact O-N 3.12Å; T102-R180 PolarHBondContact OG1-O 2.82Å; T102-R180 VanDerWaalsContact OG1-O 3.07Å
103T95.7Very high97.4Very high63 Ų6357 Ų5739%0.38731%0.305SS..THydrogen-bonded Turntrans-49.2137.8175.2-48.90000110.8R105 V152 E154 Y157T103-R105 VanDerWaalsContact C-N 3.34Å; T103-V152 CarbonylContact C-O 3.6Å; T103-V152 WeakPolarHBondContact CA-O 3.45Å; T103-V152 WeakPolarHBondContact CG2-O 3.39Å; T103-E154 PolarHBondContact OG1-OE1 2.52Å; T103-Y157 PolarHBondContact N-OH 2.88Å; T103-Y157 PolarHBondContact OG1-OH 2.89Å
104G95.3Very high97.3Very high45 Ų4556.8 Ų56.846%0.46431%0.307SS..THydrogen-bonded Turntrans89-8.9-176.600000115.1T102 N151 V152T102-G104 PolarHBondContact O-N 2.94Å; G104-N151 WeakPolarHBondContact CA-OD1 3.24Å; G104-V152 PolarHBondContact N-O 3.29Å
105R95.6Very high97.2Very high178 Ų17853.2 Ų53.267%0.67229%0.287SS*.SBendtrans-105164.8-178.4-58.9-60.5-173.9171.1-0.9111.8T102 T103 V152T102-R105 VanDerWaalsContact O-CB 3.31Å; T102-R105 WeakPolarHBondContact O-CB 3.38Å; T102-R105 PolarHBondContact O-N 2.93Å; T102-R105 VanDerWaalsContact O-N 3.12Å; T103-R105 VanDerWaalsContact C-N 3.34Å; R105-V152 VanDerWaalsContact O-CB 3.32Å; R105-V152 WeakPolarHBondContact O-CB 3.18Å; R105-V152 WeakPolarHBondContact O-CG2 3.24Å; R105-V152 PolarHBondContact O-N 2.67Å
106Q97.3Very high96.8Very high124 Ų12452 Ų5258%0.57928%0.284SS*.  trans-81.5144.6172.4-178.9175.55200110.8T148 V149 T150Q106-T148 HydrophobicContact CG-CG2 3.8Å; Q106-T148 VanDerWaalsContact NE2-CG2 3.25Å; Q106-V149 CarbonylContact C-O 3.59Å; Q106-V149 WeakPolarHBondContact CA-O 3.44Å; Q106-V149 WeakPolarHBondContact CG-O 3.24Å; Q106-T150 WeakPolarHBondContact CA-O 3.22Å
107A97.5Very high96.6Very high6 Ų651.5 Ų51.55%0.0528%0.279CS..EExtended strand (participates in β ladder)trans-136.7154171.800000110.7A101 T148 V149 V152 L177A101-A107 HydrophobicContact CB-CB 3.65Å; A107-T148 CarbonylContact O-C 3.33Å; A107-T148 WeakPolarHBondContact O-CA 3Å; A107-V149 PolarHBondContact N-O 3.01Å; A107-V149 PolarHBondContact O-N 3.45Å; A107-V152 HydrophobicContact CB-CG2 3.81Å; A107-L177 HydrophobicContact CB-CD1 3.58Å; A107-L177 HydrophobicContact CB-CD2 4.19Å
108S97.9Very high96.5Very high43 Ų4349.2 Ų49.230%0.30128%0.278SS..EExtended strand (participates in β ladder)trans-138.6130.6176.2-165.40000111N99 L147 T148N99-S108 WeakPolarHBondContact CB-O 3.22Å; N99-S108 PolarHBondContact ND2-N 2.04Å; N99-S108 PolarHBondContact ND2-O 2.82Å; S108-L147 CarbonylContact C-O 3.57Å; S108-L147 WeakPolarHBondContact CA-O 3.33Å; S108-T148 PolarHBondContact OG-OG1 2.98Å; S108-T148 VanDerWaalsContact OG-OG1 3.06Å
109L98.5Very high96.5Very high3 Ų346.9 Ų46.92%0.01626%0.261CS..EExtended strand (participates in β ladder)trans-100.4144.9170.8-60.2175.5000108.5N99 W123 S146 L147 Y160 L175 L177N99-L109 HydrophobicContact CB-CD2 4.01Å; L109-W123 HydrophobicContact CB-CH2 3.75Å; L109-W123 HydrophobicContact CB-CZ3 3.84Å; L109-W123 HydrophobicContact CD1-CZ3 4.24Å; L109-S146 CarbonylContact O-C 3.56Å; L109-S146 WeakPolarHBondContact O-CA 2.93Å; L109-S146 WeakPolarHBondContact O-CB 3.47Å; L109-L147 PolarHBondContact N-O 3.08Å; L109-L147 PolarHBondContact O-N 2.86Å; L109-Y160 HydrophobicContact CD1-CD1 4.15Å; L109-Y160 HydrophobicContact CD1-CD2 3.43Å; L109-Y160 VanDerWaalsContact CD1-CD2 3.43Å; L109-Y160 HydrophobicContact CD1-CE2 4.04Å; L109-Y160 HydrophobicContact CD1-CG 3.5Å; L109-Y160 VanDerWaalsContact CD1-CG 3.5Å; L109-L175 HydrophobicContact CB-CD2 4.44Å; L109-L175 HydrophobicContact CD1-CB 4.44Å; L109-L175 HydrophobicContact CD2-CB 4.48Å; L109-L177 HydrophobicContact CD2-CB 4.47Å
110K98.4Very high96.5Very high57 Ų5749.9 Ų49.925%0.24828%0.278CS..EExtended strand (participates in β ladder)trans-133.5139-174.1-167-166.9-173.3-157.50111.6S96 K97 E112 Q144 L175S96-K110 CarbonylContact C-O 3.58Å; S96-K110 WeakPolarHBondContact CA-O 3.27Å; K97-K110 HydrophobicContact CB-CB 4.2Å; K97-K110 HydrophobicContact CD-CD 4.27Å; K97-K110 PolarHBondContact N-O 3.24Å; K97-K110 PolarHBondContact O-N 2.84Å; K110-E112 WeakPolarHBondContact CE-OE1 3.2Å; K110-E112 IonicContact NZ-OE1 3.86Å; K110-E112 PolarHBondContact NZ-OE1 2.82Å; K110-Q144 HydrophobicContact CG-CG 4.28Å; K110-L175 VanDerWaalsContact O-CD2 3.22Å; K110-L175 WeakPolarHBondContact O-CD2 3.5Å
111C98.3Very high96.6Very high0 Ų045.4 Ų45.40%026%0.256CS..EExtended strand (participates in β ladder)trans-136.4135.6-178.7-176.50000109.6E95 W123 Q144 S145 C162E95-C111 CarbonylContact O-C 3.35Å; C111-W123 HydrophobicContact CB-CH2 4.02Å; C111-W123 HydrophobicContact CB-CZ2 3.78Å; C111-Q144 CarbonylContact O-C 3.58Å; C111-Q144 VanDerWaalsContact O-CA 3.3Å; C111-Q144 WeakPolarHBondContact O-CA 3.35Å; C111-S145 PolarHBondContact N-O 3.2Å; C111-S145 PolarHBondContact O-N 3.17Å; C111-C162 HydrophobicContact CB-CB 3.55Å; C111-C162 WeakPolarHBondContact CB-SG 3.09Å; C111-C162 WeakPolarHBondContact SG-CB 3.16Å; C111-C162 CovalentContact SG-SG 2.04Å; C111-C162 PolarHBondContact SG-SG 3.25Å
112E98.5Very high96.7Very high44 Ų4447.9 Ų47.921%0.20627%0.267CS..EExtended strand (participates in β ladder)trans-129.1139.6178.3-59.5-172.3176.200110.4I93 T94 E95 K110 G143 Q144I93-E112 WeakPolarHBondContact CA-O 3.43Å; T94-E112 PolarHBondContact N-O 2.95Å; T94-E112 WeakPolarHBondContact OG1-CB 3.39Å; T94-E112 PolarHBondContact OG1-O 2.85Å; E95-E112 HydrophobicContact CB-CB 4.01Å; E95-E112 HydrophobicContact CB-CG 4.2Å; E95-E112 PolarHBondContact N-O 3.43Å; E95-E112 PolarHBondContact O-N 2.81Å; K110-E112 WeakPolarHBondContact CE-OE1 3.2Å; K110-E112 IonicContact NZ-OE1 3.86Å; K110-E112 PolarHBondContact NZ-OE1 2.82Å; E112-G143 CarbonylContact C-O 3.57Å; E112-G143 VanDerWaalsContact CA-O 3.28Å; E112-G143 WeakPolarHBondContact CA-O 3.48Å; E112-Q144 HydrophobicContact CG-CB 4.06Å; E112-Q144 HydrophobicContact CG-CG 3.89Å; E112-Q144 PolarHBondContact OE1-NE2 3.01Å
113A98.3Very high96.8Very high6 Ų645.8 Ų45.85%0.0525%0.253CS..EExtended strand (participates in β ladder)trans-139.8138.6179.200000111.3T92 I93 P119 F121 G143 A164T92-A113 CarbonylContact O-C 3.56Å; T92-A113 VanDerWaalsContact O-CA 3.26Å; T92-A113 WeakPolarHBondContact O-CA 2.99Å; I93-A113 HydrophobicContact CD1-CB 4Å; A113-P119 HydrophobicContact CB-CG 4.11Å; A113-F121 HydrophobicContact CB-CE1 3.94Å; A113-F121 HydrophobicContact CB-CZ 3.67Å; A113-G143 PolarHBondContact N-O 2.94Å; A113-A164 HydrophobicContact CB-CB 3.72Å
114S96.4Very high96.9Very high33 Ų3345.6 Ų45.623%0.23125%0.246CC..EExtended strand (participates in β ladder)trans-95.3122.2171.2173.80000109Y89 P91 T92Y89-S114 WeakPolarHBondContact CE2-OG 3.22Å; Y89-S114 PolarHBondContact OH-OG 2.91Å; P91-S114 CarbonylContact C-O 3.54Å; P91-S114 WeakPolarHBondContact CA-O 3.37Å; T92-S114 PolarHBondContact N-O 2.94Å; T92-S114 PolarHBondContact O-N 2.86Å
115A95Very high96.9Very high12 Ų1246.6 Ų46.610%0.09924%0.236CC..EExtended strand (participates in β ladder)trans-153.8152.6176.700000110.9Y89 P91 P117 P119Y89-A115 VanDerWaalsContact CE2-CA 3.4Å; P91-A115 HydrophobicContact CB-CB 3.81Å; P91-A115 HydrophobicContact CG-CB 3.83Å; A115-P117 CarbonylContact C-O 3.38Å; A115-P117 WeakPolarHBondContact CB-O 3.41Å; A115-P119 HydrophobicContact CB-CB 3.97Å; A115-P119 HydrophobicContact CB-CG 3.88Å
116V89.5Confident96.5Very high39 Ų3943.4 Ų43.424%0.23623%0.232CC..EExtended strand (participates in β ladder)trans-135.9120.2165.7-179.50000108.9T86 N88 Y89T86-V116 HydrophobicContact CG2-CG1 3.58Å; N88-V116 CarbonylContact C-O 3.55Å; N88-V116 WeakPolarHBondContact CA-O 3.25Å; N88-V116 VanDerWaalsContact CB-O 3.25Å; N88-V116 WeakPolarHBondContact CB-O 3.15Å; N88-V116 WeakPolarHBondContact OD1-CG1 3.32Å; Y89-V116 HydrophobicContact CD1-CB 4.04Å; Y89-V116 HydrophobicContact CD1-CG2 4.22Å; Y89-V116 HydrophobicContact CE1-CB 3.73Å; Y89-V116 HydrophobicContact CE1-CG2 3.4Å; Y89-V116 PolarHBondContact N-O 2.84Å; Y89-V116 PolarHBondContact O-N 2.83Å; Y89-V116 VanDerWaalsContact O-O 3.06Å
117P93.6Very high96.1Very high46 Ų4645.1 Ų45.130%0.29925%0.245SC..SBendcis-59.5162.8-4.2-21.634.4000113.4A115 N166 K167A115-P117 CarbonylContact C-O 3.38Å; A115-P117 WeakPolarHBondContact CB-O 3.41Å; P117-N166 PolarHBondContact O-ND2 2.58Å; P117-K167 HydrophobicContact CG-CD 4.07Å; P117-K167 HydrophobicContact CG-CG 4.42Å
118A96.1Very high96Very high48 Ų4849.5 Ų49.540%0.39727%0.272SS..PPolyproline II helixtrans-48.8138.7177.400000110.9E142A118-E142 HydrophobicContact CB-CB 4.18Å; A118-E142 HydrophobicContact CB-CG 4.44Å; A118-E142 WeakPolarHBondContact CB-O 2.92Å
119P97.9Very high95.9Very high6 Ų652.9 Ų52.94%0.03928%0.278CS..PPolyproline II helixtrans-82.6146.5-177.632.4-27.9000111.6P91 A113 A115 F121 E142 A164 A165P91-P119 HydrophobicContact CB-CB 4.14Å; P91-P119 HydrophobicContact CG-CB 3.98Å; A113-P119 HydrophobicContact CB-CG 4.11Å; A115-P119 HydrophobicContact CB-CB 3.97Å; A115-P119 HydrophobicContact CB-CG 3.88Å; P119-F121 HydrophobicContact CG-CE2 3.81Å; P119-F121 HydrophobicContact CG-CZ 4.07Å; P119-E142 VanDerWaalsContact CD-O 3.3Å; P119-E142 WeakPolarHBondContact CD-O 3.37Å; P119-A164 HydrophobicContact CB-CB 4.21Å; P119-A165 CarbonylContact C-O 3.57Å; P119-A165 VanDerWaalsContact CA-O 3.22Å; P119-A165 WeakPolarHBondContact CA-O 3.45Å
120D98Very high95.9Very high128 Ų12853.5 Ų53.568%0.68428%0.281SS*.EExtended strand (participates in β ladder)trans-82.8143.4163-66.3-48.6000109.5A164 A165D120-A164 CarbonylContact O-C 3.56Å; D120-A164 WeakPolarHBondContact O-CA 3.15Å; D120-A165 PolarHBondContact N-O 3.14Å; D120-A165 PolarHBondContact O-N 2.86Å
121F98.3Very high95.7Very high19 Ų1955.2 Ų55.28%0.08329%0.293CS..EExtended strand (participates in β ladder)trans-114.2138.7-178.7-73.3-91.6000112.2A113 P119 S145 V163 A164A113-F121 HydrophobicContact CB-CE1 3.94Å; A113-F121 HydrophobicContact CB-CZ 3.67Å; P119-F121 HydrophobicContact CG-CE2 3.81Å; P119-F121 HydrophobicContact CG-CZ 4.07Å; F121-S145 VanDerWaalsContact CB-CB 3.46Å; F121-S145 VanDerWaalsContact CG-CB 3.44Å; F121-V163 CarbonylContact C-O 3.56Å; F121-V163 WeakPolarHBondContact CA-O 3.24Å; F121-A164 HydrophobicContact CD1-CB 3.96Å; F121-A164 HydrophobicContact CE1-CB 3.73Å; F121-A164 HydrophobicContact CZ-CB 4.29Å
122E98.1Very high95.6Very high60 Ų6058.8 Ų58.828%0.2832%0.318SS..EExtended strand (participates in β ladder)trans-132148.4172.1-60-164.8133.600110.6Y124 R129 V163E122-Y124 HydrophobicContact CB-CD2 4.34Å; E122-Y124 HydrophobicContact CB-CE2 3.6Å; E122-Y124 PolarHBondContact OE2-OH 2.75Å; E122-R129 IonicContact OE1-CZ 2.75Å; E122-R129 VanDerWaalsContact OE1-CZ 3.25Å; E122-R129 IonicContact OE1-NE 2.6Å; E122-R129 PolarHBondContact OE1-NE 3.44Å; E122-R129 IonicContact OE1-NH2 2.67Å; E122-R129 PolarHBondContact OE1-NH2 2.84Å; E122-R129 IonicContact OE2-NE 2.82Å; E122-V163 HydrophobicContact CB-CB 4.46Å; E122-V163 PolarHBondContact N-O 3.14Å; E122-V163 PolarHBondContact O-N 2.8Å
123W98.4Very high95.3Very high1 Ų159 Ų590%0.00433%0.327CS..EExtended strand (participates in β ladder)trans-116139177.5-72.783.9000109.9L109 C111 I130 I138 S145 L147 T161 C162 L175L109-W123 HydrophobicContact CB-CH2 3.75Å; L109-W123 HydrophobicContact CB-CZ3 3.84Å; L109-W123 HydrophobicContact CD1-CZ3 4.24Å; C111-W123 HydrophobicContact CB-CH2 4.02Å; C111-W123 HydrophobicContact CB-CZ2 3.78Å; W123-I130 HydrophobicContact CB-CB 4.21Å; W123-I130 HydrophobicContact CB-CD1 4.25Å; W123-I130 PolarHBondContact O-N 3.26Å; W123-I138 HydrophobicContact CB-CD1 4.13Å; W123-I138 HydrophobicContact CG-CD1 4.43Å; W123-S145 PolarHBondContact NE1-OG 2.93Å; W123-L147 HydrophobicContact CB-CD2 4.36Å; W123-L147 HydrophobicContact CD2-CB 3.66Å; W123-L147 HydrophobicContact CD2-CD2 4.13Å; W123-L147 HydrophobicContact CD2-CG 4.5Å; W123-L147 HydrophobicContact CE3-CB 3.85Å; W123-L147 HydrophobicContact CE3-CD2 3.82Å; W123-L147 HydrophobicContact CG-CB 4.1Å; W123-L147 HydrophobicContact CG-CD2 4.38Å; W123-L147 HydrophobicContact CH2-CB 4.27Å; W123-L147 HydrophobicContact CZ2-CB 4.1Å; W123-L147 HydrophobicContact CZ3-CB 4.14Å; W123-L147 HydrophobicContact CZ3-CD2 4.45Å; W123-T161 CarbonylContact C-O 3.5Å; W123-T161 WeakPolarHBondContact CA-O 3.24Å; W123-C162 HydrophobicContact CD2-CB 4.38Å; W123-C162 HydrophobicContact CE3-CB 4.26Å; W123-C162 HydrophobicContact CH2-CB 4.09Å; W123-C162 HydrophobicContact CZ2-CB 4.2Å; W123-C162 HydrophobicContact CZ3-CB 4.14Å; W123-L175 HydrophobicContact CH2-CD1 4Å; W123-L175 HydrophobicContact CH2-CD2 4.2Å; W123-L175 HydrophobicContact CZ3-CD1 3.78Å
124Y98.1Very high94.9Very high60 Ų6066.5 Ų66.524%0.23537%0.366CS..EExtended strand (participates in β ladder)trans-130.8153.9-179.7-68.2-100000110E122 T128 R129 Y160 T161 V163E122-Y124 HydrophobicContact CB-CD2 4.34Å; E122-Y124 HydrophobicContact CB-CE2 3.6Å; E122-Y124 PolarHBondContact OE2-OH 2.75Å; Y124-T128 CarbonylContact C-O 3.57Å; Y124-T128 VanDerWaalsContact CA-O 3.29Å; Y124-T128 WeakPolarHBondContact CA-O 3.43Å; Y124-R129 HydrophobicContact CD1-CB 4.07Å; Y124-R129 HydrophobicContact CE1-CB 3.67Å; Y124-R129 HydrophobicContact CE1-CG 4.14Å; Y124-Y160 CarbonylContact O-C 3.59Å; Y124-Y160 WeakPolarHBondContact O-CA 3.41Å; Y124-T161 PolarHBondContact N-O 3.12Å; Y124-T161 PolarHBondContact O-N 3.06Å; Y124-V163 HydrophobicContact CD2-CB 4.44Å; Y124-V163 HydrophobicContact CD2-CG2 3.69Å; Y124-V163 HydrophobicContact CE2-CB 4.22Å; Y124-V163 HydrophobicContact CE2-CG2 3.78Å
125R95.3Very high94.7Very high65 Ų6566.4 Ų66.425%0.24537%0.371CS..EExtended strand (participates in β ladder)trans-140.6128.2167.1170.6178.3174.5174.78.2108.2D127 T128 I130 E155 Y160R125-D127 PolarHBondContact O-N 3.14Å; R125-T128 PolarHBondContact N-O 2.82Å; R125-T128 WeakPolarHBondContact O-CA 3.42Å; R125-T128 WeakPolarHBondContact O-CB 3.26Å; R125-T128 PolarHBondContact O-N 3.46Å; R125-I130 HydrophobicContact CB-CD1 3.88Å; R125-I130 HydrophobicContact CB-CG1 4.29Å; R125-E155 PolarHBondContact NH1-O 3.26Å; R125-E155 PolarHBondContact NH2-O 3.44Å; R125-Y160 HydrophobicContact CB-CD1 4.26Å; R125-Y160 HydrophobicContact CB-CE1 4.34Å
126D86.6Confident94.8Very high112 Ų11267.6 Ų67.660%0.59938%0.375SS*.THydrogen-bonded Turntrans46.849.4-179.8-51.4-43.7000111.1T128D126-T128 PolarHBondContact O-N 2.92Å
127D89Confident95.2Very high159 Ų15969.2 Ų69.285%0.8538%0.38SS*.THydrogen-bonded Turntrans62.42.9-176.4-56-45.1000116.9R125R125-D127 PolarHBondContact O-N 3.14Å
128T95Very high95.4Very high98 Ų9868.9 Ų68.960%0.60138%0.375SS*.EExtended strand (participates in β ladder)trans-96127.2176.9-55.80000110.9Y124 R125 D126 I130Y124-T128 CarbonylContact C-O 3.57Å; Y124-T128 VanDerWaalsContact CA-O 3.29Å; Y124-T128 WeakPolarHBondContact CA-O 3.43Å; R125-T128 PolarHBondContact N-O 2.82Å; R125-T128 WeakPolarHBondContact O-CA 3.42Å; R125-T128 WeakPolarHBondContact O-CB 3.26Å; R125-T128 PolarHBondContact O-N 3.46Å; D126-T128 PolarHBondContact O-N 2.92Å; T128-I130 PolarHBondContact O-N 2.88Å
129R97.1Very high95.5Very high115 Ų11572 Ų7243%0.43438%0.38SS..EExtended strand (participates in β ladder)trans-65.5131.2177-169.4-177.6-169.7-90.14.2110.8E122 Y124 N131E122-R129 IonicContact OE1-CZ 2.75Å; E122-R129 VanDerWaalsContact OE1-CZ 3.25Å; E122-R129 IonicContact OE1-NE 2.6Å; E122-R129 PolarHBondContact OE1-NE 3.44Å; E122-R129 IonicContact OE1-NH2 2.67Å; E122-R129 PolarHBondContact OE1-NH2 2.84Å; E122-R129 IonicContact OE2-NE 2.82Å; Y124-R129 HydrophobicContact CD1-CB 4.07Å; Y124-R129 HydrophobicContact CE1-CB 3.67Å; Y124-R129 HydrophobicContact CE1-CG 4.14Å; R129-N131 PolarHBondContact NH1-OD1 2.91Å
130I97.2Very high95.4Very high16 Ų1674.7 Ų74.78%0.08240%0.399CS..PPolyproline II helixtrans-89.8134.1176.4-58.6172.2000109.1W123 R125 T128 L136 I138 L147 Y160W123-I130 HydrophobicContact CB-CB 4.21Å; W123-I130 HydrophobicContact CB-CD1 4.25Å; W123-I130 PolarHBondContact O-N 3.26Å; R125-I130 HydrophobicContact CB-CD1 3.88Å; R125-I130 HydrophobicContact CB-CG1 4.29Å; T128-I130 PolarHBondContact O-N 2.88Å; I130-L136 HydrophobicContact CG2-CB 4.39Å; I130-L136 HydrophobicContact CG2-CD1 3.72Å; I130-I138 HydrophobicContact CB-CD1 4.4Å; I130-I138 HydrophobicContact CG2-CD1 4.14Å; I130-I138 WeakPolarHBondContact O-CD1 3.48Å; I130-L147 HydrophobicContact CD1-CD2 3.75Å; I130-L147 HydrophobicContact CG2-CD1 4.08Å; I130-Y160 HydrophobicContact CD1-CD1 3.61Å; I130-Y160 HydrophobicContact CD1-CE1 3.69Å
131N95.8Very high95.3Very high92 Ų9273 Ų7349%0.49239%0.394SS..  trans-115154.5171.9-61.9-49.9000109.6R129 A133R129-N131 PolarHBondContact NH1-OD1 2.91Å; N131-A133 PolarHBondContact O-N 3.41Å
132S95.6Very high94.9Very high75 Ų7580.1 Ų80.152%0.52443%0.427SS..SBendtrans-66.992.4173.1-62.90000110.5L136 I138S132-L136 CarbonylContact C-O 3.57Å; S132-L136 VanDerWaalsContact CA-O 3.26Å; S132-L136 WeakPolarHBondContact CA-O 3.43Å; S132-I138 PolarHBondContact OG-N 3.37Å
133A92.4Very high94.8Very high49 Ų4978.5 Ų78.541%0.40543%0.426SS..  trans-160162.1-179.600000110.2N131 G135 L136N131-A133 PolarHBondContact O-N 3.41Å; A133-G135 VanDerWaalsContact C-N 3.26Å; A133-G135 PolarHBondContact O-N 2.84Å; A133-G135 VanDerWaalsContact O-N 3.13Å; A133-L136 PolarHBondContact N-O 2.96Å; A133-L136 VanDerWaalsContact N-O 3.1Å; A133-L136 WeakPolarHBondContact O-CB 3.3Å; A133-L136 PolarHBondContact O-N 3.27Å
134N90.3Very high94.7Very high163 Ų16381.5 Ų81.587%0.87244%0.441SS*.THydrogen-bonded Turntrans52.337.5170.9-57.5-25.4000115
135G91.3Very high94.7Very high31 Ų3178.6 Ų78.632%0.3243%0.429SS..THydrogen-bonded Turntrans86.12.5-179.600000115.1A133 T150A133-G135 VanDerWaalsContact C-N 3.26Å; A133-G135 PolarHBondContact O-N 2.84Å; A133-G135 VanDerWaalsContact O-N 3.13Å; G135-T150 WeakPolarHBondContact CA-OG1 3.28Å; G135-T150 PolarHBondContact O-N 2.75Å; G135-T150 PolarHBondContact O-OG1 3Å
136L96.8Very high94.9Very high37 Ų3776.6 Ų76.619%0.19443%0.425CS..EExtended strand (participates in β ladder)trans-93.9130.8165.6-59.1173000109.7I130 S132 A133 L147 T148 V149I130-L136 HydrophobicContact CG2-CB 4.39Å; I130-L136 HydrophobicContact CG2-CD1 3.72Å; S132-L136 CarbonylContact C-O 3.57Å; S132-L136 VanDerWaalsContact CA-O 3.26Å; S132-L136 WeakPolarHBondContact CA-O 3.43Å; A133-L136 PolarHBondContact N-O 2.96Å; A133-L136 VanDerWaalsContact N-O 3.1Å; A133-L136 WeakPolarHBondContact O-CB 3.3Å; A133-L136 PolarHBondContact O-N 3.27Å; L136-L147 HydrophobicContact CB-CD1 4.32Å; L136-L147 HydrophobicContact CD2-CD1 4.4Å; L136-T148 CarbonylContact C-O 3.57Å; L136-T148 WeakPolarHBondContact CA-O 3.44Å; L136-V149 HydrophobicContact CD2-CB 4.21Å; L136-V149 HydrophobicContact CD2-CG1 4.11Å; L136-V149 HydrophobicContact CD2-CG2 3.65Å
137E98Very high95.4Very high73 Ų7371.3 Ų71.334%0.34140%0.397SS..EExtended strand (participates in β ladder)trans-129120.3177.1-172.5-173.3-160.100109.8K139 T148E137-K139 HydrophobicContact CG-CG 4.45Å; E137-K139 WeakPolarHBondContact OE1-CE 3.18Å; E137-K139 IonicContact OE1-NZ 2.83Å; E137-K139 PolarHBondContact OE1-NZ 2.9Å; E137-K139 IonicContact OE2-NZ 2.64Å; E137-K139 PolarHBondContact OE2-NZ 2.78Å; E137-T148 PolarHBondContact N-O 2.92Å; E137-T148 PolarHBondContact O-N 2.89Å
138I98.3Very high95.9Very high39 Ų3964.4 Ų64.420%0.236%0.36CS..EExtended strand (participates in β ladder)trans-100128.5173-61167.6000109.1W123 I130 S132 S146 L147W123-I138 HydrophobicContact CB-CD1 4.13Å; W123-I138 HydrophobicContact CG-CD1 4.43Å; I130-I138 HydrophobicContact CB-CD1 4.4Å; I130-I138 HydrophobicContact CG2-CD1 4.14Å; I130-I138 WeakPolarHBondContact O-CD1 3.48Å; S132-I138 PolarHBondContact OG-N 3.37Å; I138-S146 WeakPolarHBondContact CA-O 3.3Å; I138-L147 HydrophobicContact CD1-CD1 4.44Å; I138-L147 HydrophobicContact CG1-CD1 3.68Å
139K97.8Very high96Very high113 Ų11359.9 Ų59.949%0.49133%0.333SS..EExtended strand (participates in β ladder)trans-123.6123.3172.9-75.1176.5167.8132.40109.5E137 S145 S146E137-K139 HydrophobicContact CG-CG 4.45Å; E137-K139 WeakPolarHBondContact OE1-CE 3.18Å; E137-K139 IonicContact OE1-NZ 2.83Å; E137-K139 PolarHBondContact OE1-NZ 2.9Å; E137-K139 IonicContact OE2-NZ 2.64Å; E137-K139 PolarHBondContact OE2-NZ 2.78Å; K139-S145 CarbonylContact O-C 3.57Å; K139-S145 VanDerWaalsContact O-CA 3.27Å; K139-S145 WeakPolarHBondContact O-CA 3.43Å; K139-S145 PolarHBondContact O-OG 2.94Å; K139-S146 PolarHBondContact N-O 3.36Å; K139-S146 PolarHBondContact O-N 3.31Å
140S96.6Very high96Very high64 Ų6457.7 Ų57.745%0.44833%0.332SS..EExtended strand (participates in β ladder)trans-124.2142-179.4-58.50000111.4Q144 S145S140-Q144 CarbonylContact C-O 3.59Å; S140-Q144 WeakPolarHBondContact CA-O 3.38Å; S140-S145 WeakPolarHBondContact OG-CB 3.42Å; S140-S145 PolarHBondContact OG-OG 3.25Å
141T94.8Very high96Very high93 Ų9361.3 Ų61.357%0.57135%0.352SS*.EExtended strand (participates in β ladder)trans-128.2-179.3172.965.60000109.4G143 Q144T141-G143 PolarHBondContact O-N 2.88Å; T141-Q144 PolarHBondContact N-O 3.45Å; T141-Q144 PolarHBondContact O-N 3.46Å; T141-Q144 PolarHBondContact OG1-O 2.8Å
142E90.5Very high96.1Very high167 Ų16756.9 Ų56.978%0.7833%0.328SS*.THydrogen-bonded Turntrans-58.5-8.5-172.3-71-170.8164.300116.5A118 P119A118-E142 HydrophobicContact CB-CB 4.18Å; A118-E142 HydrophobicContact CB-CG 4.44Å; A118-E142 WeakPolarHBondContact CB-O 2.92Å; P119-E142 VanDerWaalsContact CD-O 3.3Å; P119-E142 WeakPolarHBondContact CD-O 3.37Å
143G95.2Very high96.1Very high26 Ų2655.4 Ų55.427%0.26832%0.316SS..THydrogen-bonded Turntrans-155.110.8177.300000114.4E112 A113 T141E112-G143 CarbonylContact C-O 3.57Å; E112-G143 VanDerWaalsContact CA-O 3.28Å; E112-G143 WeakPolarHBondContact CA-O 3.48Å; A113-G143 PolarHBondContact N-O 2.94Å; T141-G143 PolarHBondContact O-N 2.88Å
144Q97.7Very high96.2Very high64 Ų6458 Ų5830%0.29932%0.32SS..EExtended strand (participates in β ladder)trans-148.1145.5-174.4176.3-174.3104.400110.6K110 C111 E112 S140 T141K110-Q144 HydrophobicContact CG-CG 4.28Å; C111-Q144 CarbonylContact O-C 3.58Å; C111-Q144 VanDerWaalsContact O-CA 3.3Å; C111-Q144 WeakPolarHBondContact O-CA 3.35Å; E112-Q144 HydrophobicContact CG-CB 4.06Å; E112-Q144 HydrophobicContact CG-CG 3.89Å; E112-Q144 PolarHBondContact OE1-NE2 3.01Å; S140-Q144 CarbonylContact C-O 3.59Å; S140-Q144 WeakPolarHBondContact CA-O 3.38Å; T141-Q144 PolarHBondContact N-O 3.45Å; T141-Q144 PolarHBondContact O-N 3.46Å; T141-Q144 PolarHBondContact OG1-O 2.8Å
145S98.4Very high96.4Very high0 Ų056.6 Ų56.60%031%0.308CS..EExtended strand (participates in β ladder)trans-135.7145.3169-170.70000111C111 F121 W123 K139 S140C111-S145 PolarHBondContact N-O 3.2Å; C111-S145 PolarHBondContact O-N 3.17Å; F121-S145 VanDerWaalsContact CB-CB 3.46Å; F121-S145 VanDerWaalsContact CG-CB 3.44Å; W123-S145 PolarHBondContact NE1-OG 2.93Å; K139-S145 CarbonylContact O-C 3.57Å; K139-S145 VanDerWaalsContact O-CA 3.27Å; K139-S145 WeakPolarHBondContact O-CA 3.43Å; K139-S145 PolarHBondContact O-OG 2.94Å; S140-S145 WeakPolarHBondContact OG-CB 3.42Å; S140-S145 PolarHBondContact OG-OG 3.25Å
146S98.3Very high96.6Very high23 Ų2356 Ų5616%0.16130%0.297CS..EExtended strand (participates in β ladder)trans-126.3140.3171.263.90000111.4L109 I138 K139L109-S146 CarbonylContact O-C 3.56Å; L109-S146 WeakPolarHBondContact O-CA 2.93Å; L109-S146 WeakPolarHBondContact O-CB 3.47Å; I138-S146 WeakPolarHBondContact CA-O 3.3Å; K139-S146 PolarHBondContact N-O 3.36Å; K139-S146 PolarHBondContact O-N 3.31Å
147L98.5Very high96.6Very high0 Ų055.6 Ų55.60%029%0.293CS..EExtended strand (participates in β ladder)trans-110.5115.8171.2171.964.3000108.2S108 L109 W123 I130 L136 I138 Y160S108-L147 CarbonylContact C-O 3.57Å; S108-L147 WeakPolarHBondContact CA-O 3.33Å; L109-L147 PolarHBondContact N-O 3.08Å; L109-L147 PolarHBondContact O-N 2.86Å; W123-L147 HydrophobicContact CB-CD2 4.36Å; W123-L147 HydrophobicContact CD2-CB 3.66Å; W123-L147 HydrophobicContact CD2-CD2 4.13Å; W123-L147 HydrophobicContact CD2-CG 4.5Å; W123-L147 HydrophobicContact CE3-CB 3.85Å; W123-L147 HydrophobicContact CE3-CD2 3.82Å; W123-L147 HydrophobicContact CG-CB 4.1Å; W123-L147 HydrophobicContact CG-CD2 4.38Å; W123-L147 HydrophobicContact CH2-CB 4.27Å; W123-L147 HydrophobicContact CZ2-CB 4.1Å; W123-L147 HydrophobicContact CZ3-CB 4.14Å; W123-L147 HydrophobicContact CZ3-CD2 4.45Å; I130-L147 HydrophobicContact CD1-CD2 3.75Å; I130-L147 HydrophobicContact CG2-CD1 4.08Å; L136-L147 HydrophobicContact CB-CD1 4.32Å; L136-L147 HydrophobicContact CD2-CD1 4.4Å; I138-L147 HydrophobicContact CD1-CD1 4.44Å; I138-L147 HydrophobicContact CG1-CD1 3.68Å; L147-Y160 HydrophobicContact CD2-CD1 3.48Å; L147-Y160 VanDerWaalsContact CD2-CD1 3.48Å; L147-Y160 HydrophobicContact CD2-CE1 3.64Å; L147-Y160 HydrophobicContact CD2-CG 4.43Å
148T98.4Very high96.6Very high14 Ų1453.3 Ų53.39%0.08629%0.289CS..EExtended strand (participates in β ladder)trans-110128.2-178.3-57.70000110.4Q106 A107 S108 L136 E137Q106-T148 HydrophobicContact CG-CG2 3.8Å; Q106-T148 VanDerWaalsContact NE2-CG2 3.25Å; A107-T148 CarbonylContact O-C 3.33Å; A107-T148 WeakPolarHBondContact O-CA 3Å; S108-T148 PolarHBondContact OG-OG1 2.98Å; S108-T148 VanDerWaalsContact OG-OG1 3.06Å; L136-T148 CarbonylContact C-O 3.57Å; L136-T148 WeakPolarHBondContact CA-O 3.44Å; E137-T148 PolarHBondContact N-O 2.92Å; E137-T148 PolarHBondContact O-N 2.89Å
149V98Very high96.5Very high3 Ų356.1 Ų56.12%0.01830%0.304CS..EExtended strand (participates in β ladder)trans-103.2114.2172.6-170.10000107.4Q106 A107 L136 V152 H156 L177Q106-V149 CarbonylContact C-O 3.59Å; Q106-V149 WeakPolarHBondContact CA-O 3.44Å; Q106-V149 WeakPolarHBondContact CG-O 3.24Å; A107-V149 PolarHBondContact N-O 3.01Å; A107-V149 PolarHBondContact O-N 3.45Å; L136-V149 HydrophobicContact CD2-CB 4.21Å; L136-V149 HydrophobicContact CD2-CG1 4.11Å; L136-V149 HydrophobicContact CD2-CG2 3.65Å; V149-V152 HydrophobicContact CB-CG2 3.94Å; V149-V152 HydrophobicContact CG1-CG2 3.8Å; V149-H156 HydrophobicContact CG1-CB 4.2Å; V149-L177 HydrophobicContact CG2-CD2 4.3Å
150T96.6Very high96.5Very high70 Ų7050.8 Ų50.843%0.42928%0.281SS..SBendtrans-74.6-37.6-173.453.90000113.5Q106 G135Q106-T150 WeakPolarHBondContact CA-O 3.22Å; G135-T150 WeakPolarHBondContact CA-OG1 3.28Å; G135-T150 PolarHBondContact O-N 2.75Å; G135-T150 PolarHBondContact O-OG1 3Å
151N96.6Very high96.6Very high91 Ų9149.8 Ų49.849%0.48727%0.272SS..SBendtrans-134.294177.8-175.11.9000109.4G104 T153G104-N151 WeakPolarHBondContact CA-OD1 3.24Å; N151-T153 PolarHBondContact O-N 2.75Å
152V97.4Very high96.8Very high0 Ų045.3 Ų45.30%025%0.245CC..  trans-66130.5-177.21720000110.6A101 T103 G104 R105 A107 V149 H156 Y157 L177A101-V152 HydrophobicContact CB-CG2 4.2Å; T103-V152 CarbonylContact C-O 3.6Å; T103-V152 WeakPolarHBondContact CA-O 3.45Å; T103-V152 WeakPolarHBondContact CG2-O 3.39Å; G104-V152 PolarHBondContact N-O 3.29Å; R105-V152 VanDerWaalsContact O-CB 3.32Å; R105-V152 WeakPolarHBondContact O-CB 3.18Å; R105-V152 WeakPolarHBondContact O-CG2 3.24Å; R105-V152 PolarHBondContact O-N 2.67Å; A107-V152 HydrophobicContact CB-CG2 3.81Å; V149-V152 HydrophobicContact CB-CG2 3.94Å; V149-V152 HydrophobicContact CG1-CG2 3.8Å; V152-H156 HydrophobicContact CG1-CB 4.24Å; V152-Y157 HydrophobicContact CG1-CD1 4.33Å; V152-Y157 HydrophobicContact CG1-CE1 3.56Å; V152-Y157 HydrophobicContact CG1-CE2 4.02Å; V152-Y157 WeakPolarHBondContact CG1-OH 3.47Å; V152-L177 HydrophobicContact CG2-CD2 4.24Å
153T96.2Very high97.2Very high44 Ų4438.7 Ų38.727%0.2722%0.216SC..  trans-119.7170.1174.559.60000109.2N151 E155 H156N151-T153 PolarHBondContact O-N 2.75Å; T153-E155 PolarHBondContact O-N 2.83Å; T153-E155 WeakPolarHBondContact OG1-CG 3.41Å; T153-E155 PolarHBondContact OG1-OE1 3.37Å; T153-E155 VanDerWaalsContact OG1-OE1 3.13Å; T153-H156 PolarHBondContact N-ND1 2.6Å; T153-H156 VanDerWaalsContact N-ND1 3.1Å; T153-H156 WeakPolarHBondContact O-CB 3.41Å; T153-H156 PolarHBondContact O-N 3.3Å; T153-H156 PolarHBondContact OG1-CE1 3.14Å; T153-H156 VanDerWaalsContact OG1-CE1 3.24Å; T153-H156 PolarHBondContact OG1-ND1 3.16Å
154E95.4Very high97.3Very high104 Ų10437.4 Ų37.449%0.48620%0.203SC..G310 helixtrans-57.1-35.3-179-65.8-60.6146.400113T103 H156 K179T103-E154 PolarHBondContact OG1-OE1 2.52Å; E154-H156 VanDerWaalsContact C-N 3.26Å; E154-H156 PolarHBondContact O-N 2.69Å; E154-K179 VanDerWaalsContact OE1-CE 3.25Å; E154-K179 WeakPolarHBondContact OE1-CE 3.1Å; E154-K179 IonicContact OE1-NZ 2.7Å; E154-K179 PolarHBondContact OE1-NZ 2.94Å; E154-K179 IonicContact OE2-NZ 2.75Å; E154-K179 PolarHBondContact OE2-NZ 3.4Å
155E94.3Very high97.4Very high133 Ų13335.9 Ų35.962%0.62120%0.201SC*.G310 helixtrans-63.4-29.7174.755.1-177.8177.600111.4R125 T153 Y157R125-E155 PolarHBondContact NH1-O 3.26Å; R125-E155 PolarHBondContact NH2-O 3.44Å; T153-E155 PolarHBondContact O-N 2.83Å; T153-E155 WeakPolarHBondContact OG1-CG 3.41Å; T153-E155 PolarHBondContact OG1-OE1 3.37Å; T153-E155 VanDerWaalsContact OG1-OE1 3.13Å; E155-Y157 VanDerWaalsContact C-N 3.3Å; E155-Y157 PolarHBondContact O-N 3.29Å
156H95.7Very high97.3Very high19 Ų1937 Ų379%0.08821%0.207CC..G310 helixtrans-73.9-16.4-175-69.4108.8000114.7V149 V152 T153 E154 Y160 L177V149-H156 HydrophobicContact CG1-CB 4.2Å; V152-H156 HydrophobicContact CG1-CB 4.24Å; T153-H156 PolarHBondContact N-ND1 2.6Å; T153-H156 VanDerWaalsContact N-ND1 3.1Å; T153-H156 WeakPolarHBondContact O-CB 3.41Å; T153-H156 PolarHBondContact O-N 3.3Å; T153-H156 PolarHBondContact OG1-CE1 3.14Å; T153-H156 VanDerWaalsContact OG1-CE1 3.24Å; T153-H156 PolarHBondContact OG1-ND1 3.16Å; E154-H156 VanDerWaalsContact C-N 3.26Å; E154-H156 PolarHBondContact O-N 2.69Å; H156-Y160 WeakPolarHBondContact O-CE2 3.27Å; H156-Y160 PolarHBondContact O-OH 3.13Å; H156-L177 HydrophobicContact CB-CD2 4.34Å
157Y96.8Very high97.1Very high27 Ų2743.2 Ų43.211%0.10623%0.231CC..  trans-72.2148.4178.5-60.9-61.6000111.9A101 T103 V152 E155 L177 F178 K179A101-Y157 VanDerWaalsContact O-CE1 3.29Å; A101-Y157 WeakPolarHBondContact O-CE1 3.42Å; A101-Y157 PolarHBondContact O-OH 2.83Å; T103-Y157 PolarHBondContact N-OH 2.88Å; T103-Y157 PolarHBondContact OG1-OH 2.89Å; V152-Y157 HydrophobicContact CG1-CD1 4.33Å; V152-Y157 HydrophobicContact CG1-CE1 3.56Å; V152-Y157 HydrophobicContact CG1-CE2 4.02Å; V152-Y157 WeakPolarHBondContact CG1-OH 3.47Å; E155-Y157 VanDerWaalsContact C-N 3.3Å; E155-Y157 PolarHBondContact O-N 3.29Å; Y157-L177 WeakPolarHBondContact CA-O 3.36Å; Y157-L177 HydrophobicContact CD1-CD2 4.44Å; Y157-L177 HydrophobicContact CD1-CG 4.01Å; Y157-L177 HydrophobicContact CE1-CG 4.39Å; Y157-F178 WeakPolarHBondContact CE1-O 3.25Å; Y157-K179 HydrophobicContact CD1-CB 3.88Å; Y157-K179 HydrophobicContact CD2-CB 3.93Å; Y157-K179 HydrophobicContact CD2-CD 4.14Å; Y157-K179 HydrophobicContact CD2-CG 4.16Å; Y157-K179 HydrophobicContact CE1-CB 3.81Å; Y157-K179 HydrophobicContact CE1-CG 4.22Å; Y157-K179 HydrophobicContact CE2-CB 3.85Å; Y157-K179 HydrophobicContact CE2-CD 3.83Å; Y157-K179 HydrophobicContact CE2-CG 3.65Å; Y157-K179 HydrophobicContact CG-CB 3.94Å
158G96.6Very high96.7Very high25 Ų2547.3 Ų47.326%0.25825%0.253SS..EExtended strand (participates in β ladder)trans128.1-159.6176.300000114.1Y160 V176 L177G158-Y160 WeakPolarHBondContact O-CD2 3.48Å; G158-V176 WeakPolarHBondContact O-CA 3.49Å; G158-L177 PolarHBondContact N-O 2.88Å; G158-L177 VanDerWaalsContact N-O 3.1Å; G158-L177 PolarHBondContact O-N 3.1Å
159N97.7Very high96.6Very high98 Ų9847.8 Ų47.852%0.52426%0.261SS..EExtended strand (participates in β ladder)trans-85.7140.4-173.6-63.4-49.2000111.6L175 V176N159-L175 CarbonylContact C-O 3.43Å; N159-L175 WeakPolarHBondContact CA-O 3.43Å; N159-V176 WeakPolarHBondContact OD1-CG2 3.09Å
160Y98.1Very high96.6Very high2 Ų252.4 Ų52.41%0.00829%0.289CS..EExtended strand (participates in β ladder)trans-128.9146.3174.2-69.6-96.8000108.6L109 Y124 R125 I130 L147 H156 G158 S174 L175 L177L109-Y160 HydrophobicContact CD1-CD1 4.15Å; L109-Y160 HydrophobicContact CD1-CD2 3.43Å; L109-Y160 VanDerWaalsContact CD1-CD2 3.43Å; L109-Y160 HydrophobicContact CD1-CE2 4.04Å; L109-Y160 HydrophobicContact CD1-CG 3.5Å; L109-Y160 VanDerWaalsContact CD1-CG 3.5Å; Y124-Y160 CarbonylContact O-C 3.59Å; Y124-Y160 WeakPolarHBondContact O-CA 3.41Å; R125-Y160 HydrophobicContact CB-CD1 4.26Å; R125-Y160 HydrophobicContact CB-CE1 4.34Å; I130-Y160 HydrophobicContact CD1-CD1 3.61Å; I130-Y160 HydrophobicContact CD1-CE1 3.69Å; L147-Y160 HydrophobicContact CD2-CD1 3.48Å; L147-Y160 VanDerWaalsContact CD2-CD1 3.48Å; L147-Y160 HydrophobicContact CD2-CE1 3.64Å; L147-Y160 HydrophobicContact CD2-CG 4.43Å; H156-Y160 WeakPolarHBondContact O-CE2 3.27Å; H156-Y160 PolarHBondContact O-OH 3.13Å; G158-Y160 WeakPolarHBondContact O-CD2 3.48Å; Y160-S174 CarbonylContact O-C 3.42Å; Y160-S174 WeakPolarHBondContact O-CA 3.3Å; Y160-L175 PolarHBondContact N-O 2.94Å; Y160-L175 PolarHBondContact O-N 2.76Å; Y160-L177 HydrophobicContact CD2-CB 4.4Å; Y160-L177 HydrophobicContact CE2-CB 3.9Å
161T98.4Very high96.7Very high42 Ų4250.8 Ų50.826%0.25828%0.279SS..EExtended strand (participates in β ladder)trans-118.1120.8175.4-57.90000108.8W123 Y124 V163 N172 A173W123-T161 CarbonylContact C-O 3.5Å; W123-T161 WeakPolarHBondContact CA-O 3.24Å; Y124-T161 PolarHBondContact N-O 3.12Å; Y124-T161 PolarHBondContact O-N 3.06Å; T161-V163 HydrophobicContact CG2-CG2 4.06Å; T161-N172 HydrophobicContact CG2-CB 3.99Å; T161-A173 WeakPolarHBondContact CA-O 3.34Å
162C98.2Very high96.8Very high0 Ų051 Ų510%028%0.28CS..EExtended strand (participates in β ladder)trans-90.7128.3167.2167.10000108.5C111 W123 N172 A173 L175C111-C162 HydrophobicContact CB-CB 3.55Å; C111-C162 WeakPolarHBondContact CB-SG 3.09Å; C111-C162 WeakPolarHBondContact SG-CB 3.16Å; C111-C162 CovalentContact SG-SG 2.04Å; C111-C162 PolarHBondContact SG-SG 3.25Å; W123-C162 HydrophobicContact CD2-CB 4.38Å; W123-C162 HydrophobicContact CE3-CB 4.26Å; W123-C162 HydrophobicContact CH2-CB 4.09Å; W123-C162 HydrophobicContact CZ2-CB 4.2Å; W123-C162 HydrophobicContact CZ3-CB 4.14Å; C162-N172 CarbonylContact O-C 3.6Å; C162-N172 WeakPolarHBondContact O-CA 3.39Å; C162-N172 VanDerWaalsContact O-CB 3.28Å; C162-N172 WeakPolarHBondContact O-CB 3.31Å; C162-A173 PolarHBondContact N-O 3.46Å; C162-A173 PolarHBondContact O-N 3.14Å; C162-L175 HydrophobicContact CB-CD1 3.77Å
163V98.4Very high96.8Very high27 Ų2751.7 Ų51.716%0.16429%0.285CS..EExtended strand (participates in β ladder)trans-114.4128.7176.2-1790000108.4F121 E122 Y124 T161 V170 N172F121-V163 CarbonylContact C-O 3.56Å; F121-V163 WeakPolarHBondContact CA-O 3.24Å; E122-V163 HydrophobicContact CB-CB 4.46Å; E122-V163 PolarHBondContact N-O 3.14Å; E122-V163 PolarHBondContact O-N 2.8Å; Y124-V163 HydrophobicContact CD2-CB 4.44Å; Y124-V163 HydrophobicContact CD2-CG2 3.69Å; Y124-V163 HydrophobicContact CE2-CB 4.22Å; Y124-V163 HydrophobicContact CE2-CG2 3.78Å; T161-V163 HydrophobicContact CG2-CG2 4.06Å; V163-V170 HydrophobicContact CG1-CG1 3.54Å; V163-N172 HydrophobicContact CG2-CB 4.08Å
164A98.6Very high96.9Very high0 Ų053.6 Ų53.60%030%0.3CS..EExtended strand (participates in β ladder)trans-117.2127175.200000109.8P91 I93 A113 P119 D120 F121 V170 T171P91-A164 HydrophobicContact CB-CB 4.15Å; I93-A164 HydrophobicContact CD1-CB 4.11Å; A113-A164 HydrophobicContact CB-CB 3.72Å; P119-A164 HydrophobicContact CB-CB 4.21Å; D120-A164 CarbonylContact O-C 3.56Å; D120-A164 WeakPolarHBondContact O-CA 3.15Å; F121-A164 HydrophobicContact CD1-CB 3.96Å; F121-A164 HydrophobicContact CE1-CB 3.73Å; F121-A164 HydrophobicContact CZ-CB 4.29Å; A164-V170 WeakPolarHBondContact O-CA 3.36Å; A164-T171 HydrophobicContact CB-CG2 4.05Å; A164-T171 PolarHBondContact N-O 2.96Å; A164-T171 PolarHBondContact O-N 3.16Å
165A98.2Very high97Very high32 Ų3248.7 Ų48.726%0.26428%0.277SS..EExtended strand (participates in β ladder)trans-134.3142-172.300000112.3P119 D120 V170P119-A165 CarbonylContact C-O 3.57Å; P119-A165 VanDerWaalsContact CA-O 3.22Å; P119-A165 WeakPolarHBondContact CA-O 3.45Å; D120-A165 PolarHBondContact N-O 3.14Å; D120-A165 PolarHBondContact O-N 2.86Å; A165-V170 HydrophobicContact CB-CG1 4.35Å; A165-V170 HydrophobicContact CB-CG2 3.87Å
166N97.1Very high97.2Very high22 Ų2244 Ų4412%0.11826%0.258CS..EExtended strand (participates in β ladder)trans-139.7-178.1163.979.15.1000110Y89 P91 P117 L168 G169Y89-N166 PolarHBondContact O-ND2 2.84Å; P91-N166 WeakPolarHBondContact CD-OD1 3.47Å; P91-N166 HydrophobicContact CG-CB 4.08Å; P117-N166 PolarHBondContact O-ND2 2.58Å; N166-L168 PolarHBondContact O-N 2.92Å; N166-L168 WeakPolarHBondContact OD1-CA 3.35Å; N166-L168 WeakPolarHBondContact OD1-CB 3.2Å; N166-L168 PolarHBondContact OD1-N 2.92Å; N166-G169 PolarHBondContact N-O 2.87Å; N166-G169 PolarHBondContact O-N 3.43Å; N166-G169 VanDerWaalsContact O-N 3.16Å; N166-G169 VanDerWaalsContact O-O 3.09Å; N166-G169 PolarHBondContact OD1-N 2.82Å
167K94.1Very high97.3Very high154 Ų15443.1 Ų43.167%0.6725%0.254SS*.THydrogen-bonded Turntrans-59.9-10.2-179.373.2-175.6-176.9-172.60115.7P117P117-K167 HydrophobicContact CG-CD 4.07Å; P117-K167 HydrophobicContact CG-CG 4.42Å
168L91.4Very high97.3Very high87 Ų8746.4 Ų46.446%0.45527%0.269SS..THydrogen-bonded Turntrans-107.8-13.4-178-62.4179.4000113.4N88 P90 N166N88-L168 VanDerWaalsContact C-CD1 3.48Å; N88-L168 HydrophobicContact CB-CD1 3.49Å; N88-L168 VanDerWaalsContact CB-CD1 3.49Å; P90-L168 HydrophobicContact CB-CB 4.16Å; N166-L168 PolarHBondContact O-N 2.92Å; N166-L168 WeakPolarHBondContact OD1-CA 3.35Å; N166-L168 WeakPolarHBondContact OD1-CB 3.2Å; N166-L168 PolarHBondContact OD1-N 2.92Å
169G95.8Very high97.3Very high24 Ų2450 Ų5025%0.24728%0.277CS..EExtended strand (participates in β ladder)trans165.5-177.2179.800000114.2P91 N166P91-G169 VanDerWaalsContact CD-O 3.29Å; P91-G169 WeakPolarHBondContact CD-O 3.13Å; N166-G169 PolarHBondContact N-O 2.87Å; N166-G169 PolarHBondContact O-N 3.43Å; N166-G169 VanDerWaalsContact O-N 3.16Å; N166-G169 VanDerWaalsContact O-O 3.09Å; N166-G169 PolarHBondContact OD1-N 2.82Å
170V98.1Very high97.2Very high100 Ų10052 Ų5261%0.60628%0.278SS*.EExtended strand (participates in β ladder)trans-135.9143.6-176.2-176.40000108.9V163 A164 A165V163-V170 HydrophobicContact CG1-CG1 3.54Å; A164-V170 WeakPolarHBondContact O-CA 3.36Å; A165-V170 HydrophobicContact CB-CG1 4.35Å; A165-V170 HydrophobicContact CB-CG2 3.87Å
171T98.3Very high96.6Very high36 Ų3657.5 Ų57.522%0.22131%0.311CS..EExtended strand (participates in β ladder)trans-139.4164.7171.4-165.90000109.6P91 I93 A164P91-T171 HydrophobicContact CB-CG2 3.84Å; P91-T171 WeakPolarHBondContact O-CG2 3.43Å; I93-T171 HydrophobicContact CD1-CG2 3.67Å; I93-T171 HydrophobicContact CG1-CG2 3.74Å; A164-T171 HydrophobicContact CB-CG2 4.05Å; A164-T171 PolarHBondContact N-O 2.96Å; A164-T171 PolarHBondContact O-N 3.16Å
172N97.9Very high95.8Very high96 Ų9660.7 Ų60.751%0.51333%0.326SS..EExtended strand (participates in β ladder)trans-147.3162.6178.364.273.7000112.2T161 C162 V163T161-N172 HydrophobicContact CG2-CB 3.99Å; C162-N172 CarbonylContact O-C 3.6Å; C162-N172 WeakPolarHBondContact O-CA 3.39Å; C162-N172 VanDerWaalsContact O-CB 3.28Å; C162-N172 WeakPolarHBondContact O-CB 3.31Å; V163-N172 HydrophobicContact CG2-CB 4.08Å
173A97.9Very high94.8Very high13 Ų1366.6 Ų66.611%0.10736%0.364CS..EExtended strand (participates in β ladder)trans-139.9144.4170.700000110.9I93 T161 C162 L175I93-A173 HydrophobicContact CB-CB 4.5Å; I93-A173 HydrophobicContact CG1-CB 4.01Å; I93-A173 HydrophobicContact CG2-CB 3.98Å; T161-A173 WeakPolarHBondContact CA-O 3.34Å; C162-A173 PolarHBondContact N-O 3.46Å; C162-A173 PolarHBondContact O-N 3.14Å; A173-L175 WeakPolarHBondContact O-CD1 3.33Å
174S97.3Very high93.7Very high85 Ų8571.2 Ų71.259%0.59439%0.393SS*.EExtended strand (participates in β ladder)trans-92.9133.7174.1-56.20000110.8Y160Y160-S174 CarbonylContact O-C 3.42Å; Y160-S174 WeakPolarHBondContact O-CA 3.3Å
175L98Very high92.7Very high0 Ų078.5 Ų78.50%043%0.43CS..EExtended strand (participates in β ladder)trans-127.4157178.3-56.498.7000109.2K97 L109 K110 W123 N159 Y160 C162 A173K97-L175 WeakPolarHBondContact O-CD2 3.21Å; L109-L175 HydrophobicContact CB-CD2 4.44Å; L109-L175 HydrophobicContact CD1-CB 4.44Å; L109-L175 HydrophobicContact CD2-CB 4.48Å; K110-L175 VanDerWaalsContact O-CD2 3.22Å; K110-L175 WeakPolarHBondContact O-CD2 3.5Å; W123-L175 HydrophobicContact CH2-CD1 4Å; W123-L175 HydrophobicContact CH2-CD2 4.2Å; W123-L175 HydrophobicContact CZ3-CD1 3.78Å; N159-L175 CarbonylContact C-O 3.43Å; N159-L175 WeakPolarHBondContact CA-O 3.43Å; Y160-L175 PolarHBondContact N-O 2.94Å; Y160-L175 PolarHBondContact O-N 2.76Å; C162-L175 HydrophobicContact CB-CD1 3.77Å; A173-L175 WeakPolarHBondContact O-CD1 3.33Å
176V98Very high91.3Very high34 Ų3482.4 Ų82.421%0.20645%0.452CS..EExtended strand (participates in β ladder)trans-128.3133.2-179.3-169.30000109.7S98 N99 G158 N159 F178S98-V176 WeakPolarHBondContact CB-O 2.9Å; S98-V176 PolarHBondContact OG-N 2.76Å; N99-V176 PolarHBondContact N-O 2.99Å; N99-V176 VanDerWaalsContact N-O 3.16Å; G158-V176 WeakPolarHBondContact O-CA 3.49Å; N159-V176 WeakPolarHBondContact OD1-CG2 3.09Å; V176-F178 HydrophobicContact CB-CD2 4.29Å; V176-F178 HydrophobicContact CB-CE1 4.1Å; V176-F178 HydrophobicContact CB-CE2 3.74Å; V176-F178 HydrophobicContact CB-CZ 3.63Å; V176-F178 HydrophobicContact CG1-CD1 3.85Å; V176-F178 HydrophobicContact CG1-CD2 4.25Å; V176-F178 HydrophobicContact CG1-CE1 3.59Å; V176-F178 HydrophobicContact CG1-CE2 4.01Å; V176-F178 HydrophobicContact CG1-CG 4.18Å; V176-F178 HydrophobicContact CG1-CZ 3.68Å; V176-F178 HydrophobicContact CG2-CZ 4.18Å
177L97.8Very high90Very high2 Ų289.1 Ų89.11%0.0148%0.483CS..EExtended strand (participates in β ladder)trans-96.4108164.2-176.658.5000108.8N99 A101 A107 L109 V149 V152 H156 Y157 G158 Y160N99-L177 HydrophobicContact CB-CD1 4.28Å; N99-L177 WeakPolarHBondContact O-CA 3.17Å; A101-L177 HydrophobicContact CB-CD1 4.31Å; A107-L177 HydrophobicContact CB-CD1 3.58Å; A107-L177 HydrophobicContact CB-CD2 4.19Å; L109-L177 HydrophobicContact CD2-CB 4.47Å; V149-L177 HydrophobicContact CG2-CD2 4.3Å; V152-L177 HydrophobicContact CG2-CD2 4.24Å; H156-L177 HydrophobicContact CB-CD2 4.34Å; Y157-L177 WeakPolarHBondContact CA-O 3.36Å; Y157-L177 HydrophobicContact CD1-CD2 4.44Å; Y157-L177 HydrophobicContact CD1-CG 4.01Å; Y157-L177 HydrophobicContact CE1-CG 4.39Å; G158-L177 PolarHBondContact N-O 2.88Å; G158-L177 VanDerWaalsContact N-O 3.1Å; G158-L177 PolarHBondContact O-N 3.1Å; Y160-L177 HydrophobicContact CD2-CB 4.4Å; Y160-L177 HydrophobicContact CE2-CB 3.9Å
178F97.1Very high88.6Confident96 Ų9687.2 Ų87.242%0.42149%0.486SS..EExtended strand (participates in β ladder)trans-86.7145.4-179.1-59.9-82.6000112N99 E100 A101 Y157 V176 R180N99-F178 PolarHBondContact O-N 3.09Å; E100-F178 VanDerWaalsContact CA-O 3.32Å; E100-F178 WeakPolarHBondContact CA-O 3.41Å; E100-F178 HydrophobicContact CB-CB 4.04Å; E100-F178 HydrophobicContact CG-CB 3.86Å; E100-F178 HydrophobicContact CG-CD2 4.07Å; E100-F178 HydrophobicContact CG-CG 4.36Å; A101-F178 PolarHBondContact N-O 2.94Å; Y157-F178 WeakPolarHBondContact CE1-O 3.25Å; V176-F178 HydrophobicContact CB-CD2 4.29Å; V176-F178 HydrophobicContact CB-CE1 4.1Å; V176-F178 HydrophobicContact CB-CE2 3.74Å; V176-F178 HydrophobicContact CB-CZ 3.63Å; V176-F178 HydrophobicContact CG1-CD1 3.85Å; V176-F178 HydrophobicContact CG1-CD2 4.25Å; V176-F178 HydrophobicContact CG1-CE1 3.59Å; V176-F178 HydrophobicContact CG1-CE2 4.01Å; V176-F178 HydrophobicContact CG1-CG 4.18Å; V176-F178 HydrophobicContact CG1-CZ 3.68Å; V176-F178 HydrophobicContact CG2-CZ 4.18Å; F178-R180 PolarHBondContact O-N 3.43Å
179K96.8Very high87.1Confident99 Ų9990.8 Ų90.843%0.4350%0.504SS..EExtended strand (participates in β ladder)trans-79.3114.1171.2-175.1174-173.1175.20110.3E154 Y157 V181E154-K179 VanDerWaalsContact OE1-CE 3.25Å; E154-K179 WeakPolarHBondContact OE1-CE 3.1Å; E154-K179 IonicContact OE1-NZ 2.7Å; E154-K179 PolarHBondContact OE1-NZ 2.94Å; E154-K179 IonicContact OE2-NZ 2.75Å; E154-K179 PolarHBondContact OE2-NZ 3.4Å; Y157-K179 HydrophobicContact CD1-CB 3.88Å; Y157-K179 HydrophobicContact CD2-CB 3.93Å; Y157-K179 HydrophobicContact CD2-CD 4.14Å; Y157-K179 HydrophobicContact CD2-CG 4.16Å; Y157-K179 HydrophobicContact CE1-CB 3.81Å; Y157-K179 HydrophobicContact CE1-CG 4.22Å; Y157-K179 HydrophobicContact CE2-CB 3.85Å; Y157-K179 HydrophobicContact CE2-CD 3.83Å; Y157-K179 HydrophobicContact CE2-CG 3.65Å; Y157-K179 HydrophobicContact CG-CB 3.94Å; K179-V181 HydrophobicContact CG-CG2 4.4Å; K179-V181 PolarHBondContact O-N 3.15Å
180R95Very high85.4Confident142 Ų14297.5 Ų97.554%0.53653%0.529SS..  trans-84.8112.4174.1-173.3176.9179.4174.21.1110.4E100 A101 T102 F178E100-R180 HydrophobicContact CB-CB 4.3Å; A101-R180 PolarHBondContact O-N 3.43Å; T102-R180 PolarHBondContact OG1-O 2.82Å; T102-R180 VanDerWaalsContact OG1-O 3.07Å; F178-R180 PolarHBondContact O-N 3.43Å
181V86.6Confident83.7Confident116 Ų116101.8 Ų101.870%0.70354%0.543SS*.PPolyproline II helixtrans-95.6125.5175.4-175.10000109.3K179K179-V181 HydrophobicContact CG-CG2 4.4Å; K179-V181 PolarHBondContact O-N 3.15Å
182L80.8Confident81.7Confident109 Ų109106.4 Ų106.457%0.57156%0.564SS**PPolyproline II helixtrans-75.8138172.1-65.6176000109.4T184L182-T184 PolarHBondContact O-N 2.84Å; L182-T184 VanDerWaalsContact O-N 3.12Å
183P77.4Confident79.9Confident125 Ų125105.3 Ų105.381%0.81258%0.576SS**PPolyproline II helixtrans-63.1117.1175.824.6-31.2000109.5
184T76.5Confident78.1Confident124 Ų124109.6 Ų109.676%0.76160%0.601SS**PPolyproline II helixtrans-85.7131.9168.552.90000108.5L182 P186L182-T184 PolarHBondContact O-N 2.84Å; L182-T184 VanDerWaalsContact O-N 3.12Å; T184-P186 VanDerWaalsContact O-CD 3.22Å; T184-P186 WeakPolarHBondContact O-CD 3.43Å
185I75.8Confident76.2Confident153 Ų153110.7 Ų110.779%0.78560%0.604SS**PPolyproline II helixtrans-65117.8169.1-58.5171.3000106.9H187I185-H187 PolarHBondContact O-N 2.92Å
186P69.4Low74.1Confident113 Ų113115.2 Ų115.273%0.73463%0.631SS**  trans-71.895.9178.627.1-30.7000109.6T184T184-P186 VanDerWaalsContact O-CD 3.22Å; T184-P186 WeakPolarHBondContact O-CD 3.43Å
187H69.6Low71.7Confident163 Ų163121.6 Ų121.676%0.75566%0.659SS**SBendtrans55149.9177.9-63.983.3000115.7I185 I189I185-H187 PolarHBondContact O-N 2.92Å; H187-I189 PolarHBondContact O-N 3.21Å
188P64.8Low69.2Low114 Ų114130.3 Ų130.374%0.7470%0.697SS**  trans-58.5126.9166.6-15.928.7000108.1Q190P188-Q190 VanDerWaalsContact C-N 3.33Å; P188-Q190 PolarHBondContact O-N 3.11Å
189I60.6Low66.7Low163 Ų163135.4 Ų135.484%0.83672%0.719SS**  trans-58.6106.8161.7-54.5170.7000104.2H187 E191H187-I189 PolarHBondContact O-N 3.21Å; I189-E191 PolarHBondContact O-N 2.72Å
190Q60.2Low64.3Low165 Ų165138.6 Ų138.677%0.77174%0.735SS**  trans-62114.9165.5-79.6-174.5-20.100105.1P188 I192P188-Q190 VanDerWaalsContact C-N 3.33Å; P188-Q190 PolarHBondContact O-N 3.11Å; Q190-I192 PolarHBondContact O-N 3.02Å
191E60.8Low61.6Low190 Ų190142.2 Ų142.289%0.88876%0.755SS**  trans-58.487.3161.4-81.8-172.2155.700106.6I189 G193I189-E191 PolarHBondContact O-N 2.72Å; E191-G193 PolarHBondContact O-N 2.87Å
192I58.1Low59.7Low132 Ų132139 Ų13968%0.67775%0.746SS**  trans-65.4102.9158.1-54.6176.1000102.3Q190 T194Q190-I192 PolarHBondContact O-N 3.02Å; I192-T194 HydrophobicContact CG2-CG2 3.9Å; I192-T194 PolarHBondContact O-N 3.49Å
193G60.1Low58.3Low73 Ų73140.9 Ų140.975%0.75376%0.764SS**  trans-60.578.1175.300000109.6E191 T195E191-G193 PolarHBondContact O-N 2.87Å; G193-T195 PolarHBondContact O-N 2.81Å
194T58.2Low56.8Low103 Ų103137.7 Ų137.763%0.63275%0.753SS**  trans-8899.7170.949.50000106.4I192 V196I192-T194 HydrophobicContact CG2-CG2 3.9Å; I192-T194 PolarHBondContact O-N 3.49Å; T194-V196 PolarHBondContact O-N 3.4Å
195T58.5Low55.3Low109 Ų109137.5 Ų137.567%0.66976%0.758SS**  trans-50.6108.6158.3-60.40000107.6G193 H197G193-T195 PolarHBondContact O-N 2.81Å; T195-H197 PolarHBondContact O-N 2.82Å
196V53Low54.1Low94 Ų94135.7 Ų135.757%0.5775%0.753SS**  trans-72.7100.9176.4-178.10000107.3T194 F198T194-V196 PolarHBondContact O-N 3.4Å; V196-F198 HydrophobicContact CB-CE2 3.93Å; V196-F198 HydrophobicContact CB-CZ 4.17Å; V196-F198 HydrophobicContact CG1-CD1 4.36Å; V196-F198 HydrophobicContact CG1-CD2 4.14Å; V196-F198 HydrophobicContact CG1-CE1 3.91Å; V196-F198 HydrophobicContact CG1-CE2 3.66Å; V196-F198 HydrophobicContact CG1-CG 4.47Å; V196-F198 HydrophobicContact CG1-CZ 3.53Å; V196-F198 WeakPolarHBondContact O-CD2 3.45Å; V196-F198 PolarHBondContact O-N 3.37Å; V196-F198 VanDerWaalsContact O-N 3.14Å
197H47.9Very low52.8Low168 Ų168141.1 Ų141.178%0.77876%0.759SS**  trans-75.1100.1172.5-78.1-71.4000109.8T195 K199T195-H197 PolarHBondContact O-N 2.82Å; H197-K199 PolarHBondContact O-N 2.93Å
198F45.3Very low51.2Low185 Ų185137 Ų13781%0.81176%0.761SS**  trans-74.8109.5168.2-61.5-84.7000109.3V196 Q200V196-F198 HydrophobicContact CB-CE2 3.93Å; V196-F198 HydrophobicContact CB-CZ 4.17Å; V196-F198 HydrophobicContact CG1-CD1 4.36Å; V196-F198 HydrophobicContact CG1-CD2 4.14Å; V196-F198 HydrophobicContact CG1-CE1 3.91Å; V196-F198 HydrophobicContact CG1-CE2 3.66Å; V196-F198 HydrophobicContact CG1-CG 4.47Å; V196-F198 HydrophobicContact CG1-CZ 3.53Å; V196-F198 WeakPolarHBondContact O-CD2 3.45Å; V196-F198 PolarHBondContact O-N 3.37Å; V196-F198 VanDerWaalsContact O-N 3.14Å; F198-Q200 PolarHBondContact O-N 2.98Å
199K45.8Very low50.1Low203 Ų203139.1 Ų139.188%0.88376%0.764SS**  trans-90.896.1169.6-149.8175.3-170176.60108.4H197 K201H197-K199 PolarHBondContact O-N 2.93Å; K199-K201 PolarHBondContact O-N 2.98Å
200Q45Very low49Very low167 Ų167140 Ų14078%0.7877%0.77SS**  trans-67.5117.6174.5-165.9177-3.100108.9F198F198-Q200 PolarHBondContact O-N 2.98Å
201K39.5Very low47.8Very low218 Ų218134.8 Ų134.895%0.94876%0.761SS**  trans-105.290.3175.8-144.5-178.4-172.8-175.20108.4K199K199-K201 PolarHBondContact O-N 2.98Å
202G46.9Very low46.7Very low49 Ų49131.7 Ų131.751%0.50576%0.761SS.*SBendtrans-165.6147.3173.900000110.9G204G202-G204 PolarHBondContact O-N 3.25Å
203P50.2Low45.8Very low148 Ų148133 Ų13396%0.96177%0.767SS**SBendtrans-77.69017931.1-30.5000109.2
204G46.9Very low44.8Very low57 Ų57134.4 Ų134.459%0.58877%0.766SS**  trans-160.4111.2174.700000109.9G202 V206G202-G204 PolarHBondContact O-N 3.25Å; G204-V206 PolarHBondContact O-N 2.69Å; G204-V206 VanDerWaalsContact O-N 3.17Å
205S43.9Very low44Very low121 Ų121137.2 Ų137.285%0.84678%0.776SS**  trans-70103.8177.6166.70000110.1
206V50.5Low43.3Very low115 Ų115135.6 Ų135.670%0.69777%0.773SS**PPolyproline II helixtrans-95.8118.1161.9-172.70000107.5G204 G208G204-V206 PolarHBondContact O-N 2.69Å; G204-V206 VanDerWaalsContact O-N 3.17Å; V206-G208 PolarHBondContact O-N 2.96Å
207R42Very low43Very low227 Ų227136.6 Ų136.686%0.85778%0.78SS**PPolyproline II helixtrans-59.1120.3170.1-84-177.1-174.8-156.5-0.4108.2I209R207-I209 PolarHBondContact O-N 3.35Å
208G37.8Very low42.8Very low76 Ų76132.3 Ų132.378%0.78477%0.767SS**PPolyproline II helixtrans-59.5121.4178.100000111V206V206-G208 PolarHBondContact O-N 2.96Å
209I40.8Very low42.9Very low159 Ų159130.3 Ų130.382%0.81576%0.764SS**PPolyproline II helixtrans-98.8122.5156.852.5171.1000106.9R207 G211R207-I209 PolarHBondContact O-N 3.35Å; I209-G211 VanDerWaalsContact C-N 3.29Å; I209-G211 PolarHBondContact O-N 3.34Å
210N37.2Very low43.1Very low181 Ų181131.7 Ų131.797%0.96876%0.764SS**  trans-6991.9168.4-76-18.4000107.5
211G36.2Very low43Very low56 Ų56130.2 Ų130.258%0.57776%0.76SS**  trans-119.5113.6176.100000110.1I209 I213I209-G211 VanDerWaalsContact C-N 3.29Å; I209-G211 PolarHBondContact O-N 3.34Å; G211-I213 PolarHBondContact O-N 2.94Å
212S37.1Very low43.4Very low125 Ų125126.7 Ų126.787%0.87475%0.751SS**  trans-68.2116.8164.9-44.70000108S214S212-S214 PolarHBondContact O-N 3.44Å; S212-S214 VanDerWaalsContact O-N 3.08Å
213I39Very low43.3Very low158 Ų158128.5 Ų128.581%0.8176%0.761SS**  trans-78.295.7170.7-59174.1000106.8G211 L215G211-I213 PolarHBondContact O-N 2.94Å; I213-L215 PolarHBondContact O-N 2.83Å
214S39.2Very low43.1Very low104 Ų104126.1 Ų126.173%0.72775%0.754SS**  trans-75.2112.8165.1-173.20000107.7S212 A216S212-S214 PolarHBondContact O-N 3.44Å; S212-S214 VanDerWaalsContact O-N 3.08Å; S214-A216 PolarHBondContact O-N 3.15Å
215L42.3Very low43.3Very low161 Ų161128.3 Ų128.384%0.84376%0.76SS**  trans-72.770.7167.3-71.1169.3000108.5I213 V217I213-L215 PolarHBondContact O-N 2.83Å; L215-V217 PolarHBondContact O-N 3.45Å
216A41.8Very low43.5Very low75 Ų75129.8 Ų129.862%0.6276%0.758SS**  trans-73.9109.916200000106.8S214 P218S214-A216 PolarHBondContact O-N 3.15Å; A216-P218 VanDerWaalsContact O-CD 3.24Å; A216-P218 WeakPolarHBondContact O-CD 3.13Å; A216-P218 VanDerWaalsContact O-N 3.11Å
217V48.1Very low43.2Very low116 Ų116132.3 Ų132.370%0.70377%0.767SS**  trans-55.4117168.4-177.80000106.8L215 L219 L221L215-V217 PolarHBondContact O-N 3.45Å; V217-L219 PolarHBondContact O-N 3.34Å; V217-L221 HydrophobicContact CG1-CD1 4.47Å
218P43.8Very low43Very low77 Ų77128.1 Ų128.150%0.577%0.77SS.*  trans-63.8128.6-179-17.629.7000108.7A216 W220 L221A216-P218 VanDerWaalsContact O-CD 3.24Å; A216-P218 WeakPolarHBondContact O-CD 3.13Å; A216-P218 VanDerWaalsContact O-N 3.11Å; P218-W220 PolarHBondContact O-N 3.47Å; P218-L221 PolarHBondContact O-N 3Å; P218-L221 VanDerWaalsContact O-N 3.14Å
219L47.6Very low43.4Very low144 Ų144131.9 Ų131.975%0.75477%0.772SS**G310 helixtrans-57.3-2.7177.3-123.887.1000114.4V217V217-L219 PolarHBondContact O-N 3.34Å
220W49.7Very low43.4Very low232 Ų232132.5 Ų132.588%0.87978%0.776SS**G310 helixtrans-84.6-14.2-179.4-59.955.4000112.2P218 L222P218-W220 PolarHBondContact O-N 3.47Å; W220-L222 PolarHBondContact O-N 3.46Å
221L42.5Very low43.4Very low136 Ų136128.8 Ų128.871%0.71276%0.764SS**G310 helixtrans-76.6-6.8172.1-82.6161.1000113.5V217 P218V217-L221 HydrophobicContact CG1-CD1 4.47Å; P218-L221 PolarHBondContact O-N 3Å; P218-L221 VanDerWaalsContact O-N 3.14Å
222L47.1Very low43.6Very low144 Ų144135.5 Ų135.575%0.75478%0.777SS**G310 helixtrans-90.71.6176.5-77.1167.3000114.3W220W220-L222 PolarHBondContact O-N 3.46Å
223A46.4Very low43.5Very low87 Ų87139.5 Ų139.572%0.71980%0.803SS**SBendtrans-115.629.6-175.400000114.6
224A44.7Very low43.8Very low98 Ų98138.6 Ų138.681%0.8180%0.803SS**SBendtrans-120.933.8176.700000113.5
225S50.8Low44Very low102 Ų102140.4 Ų140.471%0.71381%0.806SS**SBendtrans-127.38.7175.344.80000115.1
226L49.2Very low44.1Very low153 Ų153139.3 Ų139.380%0.80180%0.804SS**SBendtrans-139.490.7166.7-88.998000110
227L44.5Very low44.2Very low168 Ų168143.1 Ų143.188%0.8882%0.815SS**  trans16264.9152-87152.3000109.5
228C37.1Very low44Very low138 Ų138144.8 Ų144.893%0.93282%0.822SS**  trans-136.739.6155.2-109.30000110
229L45.8Very low44Very low155 Ų155149.3 Ų149.381%0.81284%0.844SS**SBendtrans-114.5106.6155.1-86.3159.4000105
230L41.3Very low43.7Very low173 Ų173149.6 Ų149.691%0.90685%0.85SS**SBendtrans136.9122.7157.9-72.6160.8000111.8
231S37Very low43.3Very low102 Ų102143.3 Ų143.371%0.71385%0.848SS**  trans76.6109.6168.5153.80000116
232K40.4Very low43.3Very low198 Ų198143.9 Ų143.986%0.86186%0.859SS**  cis-163.1131.719.3-88.8159.8-179.3179.10109.8
233C36.1Very low43Very low209 Ų209143.9 Ų143.9100%1.41287%0.869SS**  -161.70122.8-128.20000108

Retrieved 233 of 233 residues in 156 ms (Link to these results)