A0A096NJZ7_PAPAN Loading...

Zinc finger FYVE-type containing 21

AlphaFold DB (A0A2K5VE69), UniProt , Accession A0A096NJZ7, Species PAPAN (Papio anubis, Olive baboon), Gene ZFYVE21, Length 252 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
1M42.8Very low67.4Low206 Ų20693.5 Ų93.5100%1.01552%0.52SS*.  0-370-62.9-177.789.100113
2S59.7Low69.4Low104 Ų10495.6 Ų95.673%0.72752%0.519SS*.Hα-helixtrans-67.9-38.1178.4-179.10000114.9E4 V5 S6S2-E4 PolarHBondContact O-N 2.92Å; S2-V5 PolarHBondContact O-N 2.79Å; S2-S6 PolarHBondContact O-N 2.82Å
3S61.4Low71.3Confident96 Ų9695.8 Ų95.867%0.67151%0.512SS*.Hα-helixtrans-64.8-37.9-177.851.10000114.1S6 A7S3-S6 PolarHBondContact O-N 2.88Å; S3-A7 WeakPolarHBondContact O-CB 3.4Å; S3-A7 PolarHBondContact O-N 2.9Å
4E62.3Low73.1Confident116 Ų11696.7 Ų96.754%0.54252%0.516SS..Hα-helixtrans-72.3-36.3-179.2-158.4-173150.700111.8S2 A7 R8S2-E4 PolarHBondContact O-N 2.92Å; E4-A7 PolarHBondContact O-N 3.3Å; E4-R8 WeakPolarHBondContact O-CG 2.96Å; E4-R8 PolarHBondContact O-N 2.98Å; E4-R8 VanDerWaalsContact O-N 3.08Å; E4-R8 IonicContact OE1-CZ 2.9Å; E4-R8 IonicContact OE1-NE 3.88Å; E4-R8 IonicContact OE1-NH2 3.75Å; E4-R8 PolarHBondContact OE1-NH2 2.83Å
5V64.9Low74.5Confident78 Ų7894 Ų9447%0.47350%0.504SS..Hα-helixtrans-67.5-42.7173.9177.70000110.6S2 A7 R8 R9S2-V5 PolarHBondContact O-N 2.79Å; V5-A7 VanDerWaalsContact C-N 3.34Å; V5-A7 PolarHBondContact O-N 2.98Å; V5-R8 PolarHBondContact O-N 3.27Å; V5-R9 WeakPolarHBondContact O-CG 3.44Å; V5-R9 PolarHBondContact O-N 2.87Å; V5-R9 VanDerWaalsContact O-N 3.11Å
6S66.7Low75.7Confident57 Ų57102.2 Ų102.240%0.39953%0.526SS..Hα-helixtrans-61.6-41.8174-167.80000111.9S2 S3 R8 R9 D10S2-S6 PolarHBondContact O-N 2.82Å; S3-S6 PolarHBondContact O-N 2.88Å; S6-R8 VanDerWaalsContact C-N 3.33Å; S6-R8 PolarHBondContact O-N 2.87Å; S6-R9 PolarHBondContact O-N 2.9Å; S6-D10 PolarHBondContact O-N 2.89Å
7A67.3Low76.5Confident65 Ų6597.6 Ų97.654%0.53751%0.505SS..Hα-helixtrans-62.1-39.2177.400000112.3S3 E4 V5 D10 A11S3-A7 WeakPolarHBondContact O-CB 3.4Å; S3-A7 PolarHBondContact O-N 2.9Å; E4-A7 PolarHBondContact O-N 3.3Å; V5-A7 VanDerWaalsContact C-N 3.34Å; V5-A7 PolarHBondContact O-N 2.98Å; A7-D10 PolarHBondContact O-N 2.64Å; A7-A11 PolarHBondContact O-N 3.35Å
8R71.9Confident76.9Confident165 Ų16598.2 Ų98.262%0.62352%0.516SS*.Hα-helixtrans-67.5-35.5175.3-69.5179.4-168.6-161.16.5113E4 V5 S6 D10 A11E4-R8 WeakPolarHBondContact O-CG 2.96Å; E4-R8 PolarHBondContact O-N 2.98Å; E4-R8 VanDerWaalsContact O-N 3.08Å; E4-R8 IonicContact OE1-CZ 2.9Å; E4-R8 IonicContact OE1-NE 3.88Å; E4-R8 IonicContact OE1-NH2 3.75Å; E4-R8 PolarHBondContact OE1-NH2 2.83Å; V5-R8 PolarHBondContact O-N 3.27Å; S6-R8 VanDerWaalsContact C-N 3.33Å; S6-R8 PolarHBondContact O-N 2.87Å; R8-D10 VanDerWaalsContact C-N 3.26Å; R8-D10 PolarHBondContact O-N 3.26Å; R8-A11 PolarHBondContact O-N 3.43Å
9R76Confident77.6Confident68 Ų6893.4 Ų93.426%0.25749%0.491SS..Hα-helixtrans-65.7-29.1177.3-73.1176.9177.6-172.9-1.6112.8V5 S6 F30 N143 E156V5-R9 WeakPolarHBondContact O-CG 3.44Å; V5-R9 PolarHBondContact O-N 2.87Å; V5-R9 VanDerWaalsContact O-N 3.11Å; S6-R9 PolarHBondContact O-N 2.9Å; R9-F30 HydrophobicContact CB-CD1 4.47Å; R9-F30 HydrophobicContact CG-CD1 4.11Å; R9-F30 HydrophobicContact CG-CE1 3.95Å; R9-F30 HydrophobicContact CG-CZ 4.27Å; R9-F30 WeakPolarHBondContact O-CB 3.49Å; R9-N143 PolarHBondContact O-ND2 2.78Å; R9-E156 IonicContact NH1-OE1 3.82Å; R9-E156 PolarHBondContact NH1-OE1 2.9Å; R9-E156 IonicContact NH1-OE2 3.98Å
10D80.3Confident78.2Confident48 Ų4890.1 Ų90.126%0.25748%0.481SS..THydrogen-bonded Turntrans-100.70.3-176.7-70.6-24.4000113.5S6 A7 R8 K12 N142S6-D10 PolarHBondContact O-N 2.89Å; A7-D10 PolarHBondContact O-N 2.64Å; R8-D10 VanDerWaalsContact C-N 3.26Å; R8-D10 PolarHBondContact O-N 3.26Å; D10-K12 PolarHBondContact O-N 2.97Å; D10-N142 WeakPolarHBondContact OD1-CB 3.37Å; D10-N142 WeakPolarHBondContact OD2-CB 3.2Å; D10-N142 PolarHBondContact OD2-ND2 2.82Å
11A87.8Confident79.1Confident26 Ų2688.3 Ų88.322%0.21547%0.471CS..  trans-63.2127.8-179.100000111.6A7 R8 E26A7-A11 PolarHBondContact O-N 3.35Å; R8-A11 PolarHBondContact O-N 3.43Å; A11-E26 HydrophobicContact CB-CB 4.25Å; A11-E26 HydrophobicContact CB-CG 4Å; A11-E26 PolarHBondContact O-N 2.84Å
12K91.9Very high81.6Confident118 Ų11880 Ų8051%0.51343%0.428SS..EExtended strand (participates in β ladder)trans-127146.5-179.1-66.6174.4-170.1176.20110.1D10 M23 V24D10-K12 PolarHBondContact O-N 2.97Å; K12-M23 HydrophobicContact CB-CG 3.92Å; K12-M23 HydrophobicContact CB-SD 4.45Å; K12-M23 HydrophobicContact CD-CG 4Å; K12-M23 HydrophobicContact CD-SD 3.94Å; K12-M23 HydrophobicContact CG-CG 4.47Å; K12-V24 CarbonylContact C-O 3.6Å; K12-V24 VanDerWaalsContact CA-O 3.28Å; K12-V24 WeakPolarHBondContact CA-O 3.46Å
13K94.1Very high83.2Confident99 Ų9979.1 Ų79.143%0.4341%0.414SS..EExtended strand (participates in β ladder)trans-123.6149.617562.7-177.5178.8-164.70111.2V15 V24 E26K13-V15 HydrophobicContact CD-CG2 4.39Å; K13-V15 HydrophobicContact CG-CG2 4.15Å; K13-V24 HydrophobicContact CG-CG2 3.8Å; K13-V24 PolarHBondContact N-O 3.2Å; K13-V24 PolarHBondContact O-N 3.33Å; K13-E26 HydrophobicContact CB-CG 4.11Å; K13-E26 HydrophobicContact CD-CG 4.35Å; K13-E26 HydrophobicContact CG-CG 4.27Å
14L95.9Very high84.7Confident108 Ų10875.8 Ų75.857%0.56539%0.389SS*.EExtended strand (participates in β ladder)trans-84.4130171.1-72.1171.6000109.8L21 R22 M23 V90L14-L21 HydrophobicContact CB-CD1 4.33Å; L14-L21 HydrophobicContact CD2-CD1 4.44Å; L14-L21 HydrophobicContact CD2-CD2 4.14Å; L14-L21 HydrophobicContact CD2-CG 4.14Å; L14-R22 CarbonylContact C-O 3.55Å; L14-R22 WeakPolarHBondContact CA-O 3.44Å; L14-M23 HydrophobicContact CD2-CB 4.09Å; L14-M23 HydrophobicContact CD2-CE 4.05Å; L14-M23 HydrophobicContact CD2-CG 4.48Å; L14-V90 HydrophobicContact CD2-CG2 3.97Å
15V94.4Very high86.2Confident56 Ų5672 Ų7234%0.33938%0.375SS..EExtended strand (participates in β ladder)trans-127.1135.3177.4177.30000108.9K13 R22 V24K13-V15 HydrophobicContact CD-CG2 4.39Å; K13-V15 HydrophobicContact CG-CG2 4.15Å; V15-R22 PolarHBondContact N-O 2.85Å; V15-R22 PolarHBondContact O-N 3.44Å; V15-V24 HydrophobicContact CB-CG2 4.29Å; V15-V24 HydrophobicContact CG2-CG2 3.54Å
16R93.8Very high87.4Confident225 Ų22573.9 Ų73.985%0.84938%0.378SS*.EExtended strand (participates in β ladder)trans-92.9130.1171.7-71.7-175.1175.6-152.7-1109.6L21R16-L21 HydrophobicContact CG-CD1 3.7Å
17S89.3Confident88.4Confident25 Ų2576.5 Ų76.518%0.17538%0.384CS..EExtended strand (participates in β ladder)trans-120165.5173.767.30000109.9S19 G20 E38S17-S19 PolarHBondContact O-N 3.24Å; S17-S19 VanDerWaalsContact O-N 3.16Å; S17-S19 PolarHBondContact OG-N 3.03Å; S17-G20 PolarHBondContact N-O 2.83Å; S17-G20 PolarHBondContact O-N 2.86Å; S17-G20 VanDerWaalsContact O-N 3.11Å; S17-G20 PolarHBondContact OG-N 2.89Å; S17-G20 VanDerWaalsContact OG-N 3.11Å; S17-G20 PolarHBondContact OG-O 3.34Å; S17-E38 VanDerWaalsContact CB-OE2 3.31Å; S17-E38 WeakPolarHBondContact CB-OE2 3.19Å; S17-E38 PolarHBondContact OG-OE2 2.87Å
18P84.1Confident89.1Confident108 Ų10883.9 Ų83.970%0.70140%0.398SS*.THydrogen-bonded Turntrans-55.5-26.7168.7-25.235.8000113.3
19S89Confident89.7Confident6 Ų678.5 Ų78.54%0.04239%0.389CS..THydrogen-bonded Turntrans-82.6-18.9179-66.50000114.8S17 E38 W41 F89S17-S19 PolarHBondContact O-N 3.24Å; S17-S19 VanDerWaalsContact O-N 3.16Å; S17-S19 PolarHBondContact OG-N 3.03Å; S19-E38 WeakPolarHBondContact CB-OE1 3.44Å; S19-E38 PolarHBondContact OG-OE1 2.83Å; S19-W41 VanDerWaalsContact OG-CZ2 3.28Å; S19-W41 WeakPolarHBondContact OG-CZ2 3.44Å; S19-W41 PolarHBondContact OG-NE1 3.38Å; S19-W41 VanDerWaalsContact OG-NE1 3.15Å; S19-F89 VanDerWaalsContact CB-CE1 3.5Å
20G91.4Very high90.2Very high28 Ų2878 Ų7829%0.28939%0.389SS..EExtended strand (participates in β ladder)trans141.6-170.2-178.100000114.2S17S17-G20 PolarHBondContact N-O 2.83Å; S17-G20 PolarHBondContact O-N 2.86Å; S17-G20 VanDerWaalsContact O-N 3.11Å; S17-G20 PolarHBondContact OG-N 2.89Å; S17-G20 VanDerWaalsContact OG-N 3.11Å; S17-G20 PolarHBondContact OG-O 3.34Å
21L95.5Very high90.6Very high53 Ų5376.3 Ų76.328%0.27738%0.383SS..EExtended strand (participates in β ladder)trans-82.8131.6177.1-170.668.5000110.6L14 R16 V90L14-L21 HydrophobicContact CB-CD1 4.33Å; L14-L21 HydrophobicContact CD2-CD1 4.44Å; L14-L21 HydrophobicContact CD2-CD2 4.14Å; L14-L21 HydrophobicContact CD2-CG 4.14Å; R16-L21 HydrophobicContact CG-CD1 3.7Å; L21-V90 HydrophobicContact CD2-CG2 4.31Å; L21-V90 HydrophobicContact CG-CG2 4.17Å; L21-V90 PolarHBondContact O-N 2.88Å
22R95.4Very high90.8Very high30 Ų3076.7 Ų76.711%0.11338%0.383CS..EExtended strand (participates in β ladder)trans-125.1140.9-178.5-63.4171.367-162.7-5.5110.8L14 V15 V24 E38 M87 C88 F89L14-R22 CarbonylContact C-O 3.55Å; L14-R22 WeakPolarHBondContact CA-O 3.44Å; V15-R22 PolarHBondContact N-O 2.85Å; V15-R22 PolarHBondContact O-N 3.44Å; R22-V24 HydrophobicContact CB-CG1 4.09Å; R22-E38 IonicContact CZ-OE2 3.38Å; R22-E38 IonicContact NE-OE2 3.36Å; R22-E38 VanDerWaalsContact NH1-CB 3.35Å; R22-E38 IonicContact NH1-OE2 2.78Å; R22-E38 PolarHBondContact NH1-OE2 2.79Å; R22-M87 PolarHBondContact NE-O 3.09Å; R22-M87 PolarHBondContact NH2-O 3.15Å; R22-C88 CarbonylContact C-O 3.58Å; R22-C88 WeakPolarHBondContact CA-O 3.47Å; R22-F89 HydrophobicContact CG-CD1 3.51Å; R22-F89 HydrophobicContact CG-CE1 3.49Å; R22-F89 VanDerWaalsContact CG-CE1 3.49Å; R22-F89 HydrophobicContact CG-CG 4.06Å; R22-F89 HydrophobicContact CG-CZ 4.03Å
23M94.4Very high90.8Very high87 Ų8772.1 Ų72.143%0.42937%0.366SS..EExtended strand (participates in β ladder)trans-104.994.7173.3-176179-68.200109.6K12 L14 C88 V90K12-M23 HydrophobicContact CB-CG 3.92Å; K12-M23 HydrophobicContact CB-SD 4.45Å; K12-M23 HydrophobicContact CD-CG 4Å; K12-M23 HydrophobicContact CD-SD 3.94Å; K12-M23 HydrophobicContact CG-CG 4.47Å; L14-M23 HydrophobicContact CD2-CB 4.09Å; L14-M23 HydrophobicContact CD2-CE 4.05Å; L14-M23 HydrophobicContact CD2-CG 4.48Å; M23-C88 PolarHBondContact N-O 3.2Å; M23-C88 VanDerWaalsContact O-CB 3.31Å; M23-C88 WeakPolarHBondContact O-CB 3.37Å; M23-V90 HydrophobicContact CB-CG2 4.03Å
24V93.1Very high90.6Very high25 Ų2567.5 Ų67.515%0.15235%0.346CS..EExtended strand (participates in β ladder)trans-104.6154.9-173-60.10000111K12 K13 V15 R22 C88K12-V24 CarbonylContact C-O 3.6Å; K12-V24 VanDerWaalsContact CA-O 3.28Å; K12-V24 WeakPolarHBondContact CA-O 3.46Å; K13-V24 HydrophobicContact CG-CG2 3.8Å; K13-V24 PolarHBondContact N-O 3.2Å; K13-V24 PolarHBondContact O-N 3.33Å; V15-V24 HydrophobicContact CB-CG2 4.29Å; V15-V24 HydrophobicContact CG2-CG2 3.54Å; R22-V24 HydrophobicContact CB-CG1 4.09Å; V24-C88 HydrophobicContact CG1-CB 4.16Å
25P92.1Very high90.4Very high36 Ų3663.7 Ų63.723%0.23433%0.333CS..EExtended strand (participates in β ladder)trans-56.5145.2169.8-14.623.5000111H27 G31P25-H27 VanDerWaalsContact C-N 3.3Å; P25-H27 PolarHBondContact O-N 2.98Å; P25-G31 VanDerWaalsContact CG-CA 3.47Å
26E90.1Very high90.2Very high118 Ų11862.3 Ų62.355%0.55132%0.323SS*.SBendtrans-63.5-40.8173.7-75.4-170.4172.500111.7A11 K13A11-E26 HydrophobicContact CB-CB 4.25Å; A11-E26 HydrophobicContact CB-CG 4Å; A11-E26 PolarHBondContact O-N 2.84Å; K13-E26 HydrophobicContact CB-CG 4.11Å; K13-E26 HydrophobicContact CD-CG 4.35Å; K13-E26 HydrophobicContact CG-CG 4.27Å
27H88.3Confident90.1Very high112 Ų11258.4 Ų58.452%0.51932%0.315SS..SBendtrans-116.2126.3179.2-165.5-84.1000111.2P25 A29 F30P25-H27 VanDerWaalsContact C-N 3.3Å; P25-H27 PolarHBondContact O-N 2.98Å; H27-A29 VanDerWaalsContact C-N 3.25Å; H27-A29 VanDerWaalsContact ND1-CB 3.3Å; H27-A29 WeakPolarHBondContact ND1-CB 3.34Å; H27-A29 PolarHBondContact ND1-N 2.9Å; H27-A29 PolarHBondContact O-N 2.85Å; H27-F30 HydrophobicContact CB-CD2 3.72Å; H27-F30 HydrophobicContact CB-CE2 4.02Å; H27-F30 PolarHBondContact O-N 2.84Å
28R82.5Confident90.2Very high221 Ų22159.3 Ų59.383%0.83432%0.316SS*.G310 helixtrans-58.4-34.1-174.1-72.4-175.8173.1176.3-3.2113.6F30 G31R28-F30 PolarHBondContact O-N 3.26Å; R28-F30 VanDerWaalsContact O-N 3.07Å; R28-G31 PolarHBondContact O-N 2.81Å
29A85.3Confident90.7Very high51 Ų5155.6 Ų55.642%0.42129%0.292SS..G310 helixtrans-60.8-18.1177.700000113.5H27 R145H27-A29 VanDerWaalsContact C-N 3.25Å; H27-A29 VanDerWaalsContact ND1-CB 3.3Å; H27-A29 WeakPolarHBondContact ND1-CB 3.34Å; H27-A29 PolarHBondContact ND1-N 2.9Å; H27-A29 PolarHBondContact O-N 2.85Å; A29-R145 WeakPolarHBondContact O-CD 3.3Å; A29-R145 PolarHBondContact O-NE 3.11Å; A29-R145 VanDerWaalsContact O-NE 3.13Å; A29-R145 PolarHBondContact O-NH1 3.32Å
30F85.5Confident91Very high58 Ų5864 Ų6425%0.25433%0.331SS..G310 helixtrans-103.113.5178.2-52.9-49.3000113.6R9 H27 R28R9-F30 HydrophobicContact CB-CD1 4.47Å; R9-F30 HydrophobicContact CG-CD1 4.11Å; R9-F30 HydrophobicContact CG-CE1 3.95Å; R9-F30 HydrophobicContact CG-CZ 4.27Å; R9-F30 WeakPolarHBondContact O-CB 3.49Å; H27-F30 HydrophobicContact CB-CD2 3.72Å; H27-F30 HydrophobicContact CB-CE2 4.02Å; H27-F30 PolarHBondContact O-N 2.84Å; R28-F30 PolarHBondContact O-N 3.26Å; R28-F30 VanDerWaalsContact O-N 3.07Å
31G89.2Confident91.2Very high13 Ų1366.1 Ų66.113%0.13433%0.33CS..SBendtrans-63.3155.117500000113.9P25 R28 R145P25-G31 VanDerWaalsContact CG-CA 3.47Å; R28-G31 PolarHBondContact O-N 2.81Å; G31-R145 WeakPolarHBondContact O-CD 3.38Å; G31-R145 WeakPolarHBondContact O-CG 3.37Å; G31-R145 PolarHBondContact O-NH1 3.49Å
32S91.9Very high91.2Very high33 Ų3365.1 Ų65.123%0.23133%0.327CS..  trans-67.5135.3172.8-172.40000109.7F34 G35 N143 Q144S32-F34 PolarHBondContact O-N 2.82Å; S32-F34 WeakPolarHBondContact OG-CD2 3.36Å; S32-G35 PolarHBondContact O-N 2.76Å; S32-N143 VanDerWaalsContact CA-O 3.27Å; S32-N143 WeakPolarHBondContact CA-O 3.44Å; S32-Q144 PolarHBondContact OG-OE1 2.79Å
33P91.3Very high91.3Very high22 Ų2266.9 Ų66.914%0.14334%0.342CS..THydrogen-bonded Turntrans-69.2-13.4175.631.3-34.3000112G35 Q144 I159 V160 L246P33-G35 VanDerWaalsContact C-N 3.27Å; P33-Q144 WeakPolarHBondContact CD-O 3.33Å; P33-Q144 WeakPolarHBondContact CG-O 3.49Å; P33-I159 HydrophobicContact CB-CG2 4.39Å; P33-I159 HydrophobicContact CG-CB 4.34Å; P33-I159 HydrophobicContact CG-CG2 3.89Å; P33-V160 HydrophobicContact CB-CG1 3.9Å; P33-L246 HydrophobicContact CB-CD2 3.77Å; P33-L246 HydrophobicContact CG-CD2 4.01Å; P33-L246 WeakPolarHBondContact O-CD2 3.33Å
34F90.9Very high91.3Very high2 Ų267 Ų671%0.00934%0.344CS..THydrogen-bonded Turntrans-82-8.3171.6-56-87.4000112.9S32 R86 F109 Y110 Q144 I159 A242 L245 L246S32-F34 PolarHBondContact O-N 2.82Å; S32-F34 WeakPolarHBondContact OG-CD2 3.36Å; F34-R86 PolarHBondContact O-NE 3.45Å; F34-F109 HydrophobicContact CD1-CE1 4.38Å; F34-F109 HydrophobicContact CE1-CE1 4.43Å; F34-F109 HydrophobicContact CE1-CZ 4.12Å; F34-Y110 WeakPolarHBondContact CB-OH 3.05Å; F34-Q144 HydrophobicContact CD2-CB 3.76Å; F34-Q144 HydrophobicContact CD2-CG 4.35Å; F34-Q144 HydrophobicContact CE2-CB 3.57Å; F34-Q144 HydrophobicContact CE2-CG 4.3Å; F34-I159 HydrophobicContact CE2-CD1 4.4Å; F34-I159 HydrophobicContact CZ-CD1 4.48Å; F34-A242 HydrophobicContact CE1-CB 3.79Å; F34-A242 WeakPolarHBondContact CE1-O 3.17Å; F34-A242 HydrophobicContact CZ-CB 3.89Å; F34-L245 HydrophobicContact CD1-CB 4.3Å; F34-L246 HydrophobicContact CD1-CD2 3.69Å; F34-L246 HydrophobicContact CD1-CG 3.81Å; F34-L246 HydrophobicContact CD2-CD2 4.28Å; F34-L246 HydrophobicContact CE1-CD1 3.81Å; F34-L246 HydrophobicContact CE1-CD2 3.69Å; F34-L246 HydrophobicContact CE1-CG 3.41Å; F34-L246 VanDerWaalsContact CE1-CG 3.41Å; F34-L246 HydrophobicContact CE2-CD2 4.23Å; F34-L246 HydrophobicContact CG-CD2 4.01Å; F34-L246 HydrophobicContact CZ-CD1 3.77Å; F34-L246 HydrophobicContact CZ-CD2 3.96Å; F34-L246 HydrophobicContact CZ-CG 3.85Å
35G90.8Very high91.3Very high29 Ų2975 Ų7530%0.29938%0.377SS..  trans-69.7147.6-177.300000112.5S32 P33 R86S32-G35 PolarHBondContact O-N 2.76Å; P33-G35 VanDerWaalsContact C-N 3.27Å; G35-R86 CarbonylContact C-O 3.52Å; G35-R86 VanDerWaalsContact CA-O 3.23Å; G35-R86 WeakPolarHBondContact CA-O 3.32Å
36L91.1Very high91.5Very high26 Ų2679.7 Ų79.714%0.13640%0.396CS..  trans-121.2148.2172.1-67.1176.7000109.4R86 M87 S249L36-R86 HydrophobicContact CB-CB 4.28Å; L36-R86 HydrophobicContact CD1-CB 4.08Å; L36-R86 HydrophobicContact CG-CB 4.08Å; L36-R86 PolarHBondContact N-O 3.43Å; L36-M87 HydrophobicContact CB-CE 4.1Å; L36-M87 HydrophobicContact CB-CG 3.92Å; L36-M87 HydrophobicContact CD1-CE 4.32Å; L36-M87 WeakPolarHBondContact O-CA 3.36Å; L36-S249 VanDerWaalsContact CD2-OG 3.24Å; L36-S249 WeakPolarHBondContact CD2-OG 3.35Å
37E90.5Very high91.7Very high143 Ų14374.1 Ų74.167%0.66837%0.37SS*.PPolyproline II helixtrans-74.4155.7170.7-70.5-63.3165.400111.1M87E37-M87 WeakPolarHBondContact O-CE 3.49Å
38E92.5Very high92.1Very high44 Ų4478.4 Ų78.421%0.20638%0.381CS..PPolyproline II helixtrans-72.5134.3175.6-179.4179.8169.300109.9S17 S19 R22 F89S17-E38 VanDerWaalsContact CB-OE2 3.31Å; S17-E38 WeakPolarHBondContact CB-OE2 3.19Å; S17-E38 PolarHBondContact OG-OE2 2.87Å; S19-E38 WeakPolarHBondContact CB-OE1 3.44Å; S19-E38 PolarHBondContact OG-OE1 2.83Å; R22-E38 IonicContact CZ-OE2 3.38Å; R22-E38 IonicContact NE-OE2 3.36Å; R22-E38 VanDerWaalsContact NH1-CB 3.35Å; R22-E38 IonicContact NH1-OE2 2.78Å; R22-E38 PolarHBondContact NH1-OE2 2.79Å; E38-F89 HydrophobicContact CG-CZ 4.46Å
39P93.9Very high92.8Very high31 Ų3173.5 Ų73.520%0.20136%0.363CS..PPolyproline II helixtrans-69.7147.9179.332.6-40000111W41 R68P39-W41 PolarHBondContact O-N 3.16Å; P39-R68 WeakPolarHBondContact CG-O 3.38Å
40Q94.6Very high93.4Very high183 Ų18371.1 Ų71.186%0.85534%0.343SS*.PPolyproline II helixtrans-64.1132.3163.9-71.5-74-23.600109.3
41W96.1Very high94Very high71 Ų7172.3 Ų72.327%0.26935%0.35SS..PPolyproline II helixtrans-77.2137174-75.716.4000109.9S19 P39 P43 H65 R67 G70S19-W41 VanDerWaalsContact OG-CZ2 3.28Å; S19-W41 WeakPolarHBondContact OG-CZ2 3.44Å; S19-W41 PolarHBondContact OG-NE1 3.38Å; S19-W41 VanDerWaalsContact OG-NE1 3.15Å; P39-W41 PolarHBondContact O-N 3.16Å; W41-P43 WeakPolarHBondContact O-CD 3.43Å; W41-H65 HydrophobicContact CD2-CB 3.5Å; W41-H65 VanDerWaalsContact CD2-CB 3.5Å; W41-H65 AromaticContact CD2-CD2 3.93Å; W41-H65 AromaticContact CD2-CG 3.59Å; W41-H65 HydrophobicContact CE3-CB 3.71Å; W41-H65 AromaticContact CE3-CD2 3.97Å; W41-H65 AromaticContact CE3-CG 3.46Å; W41-H65 VanDerWaalsContact CE3-CG 3.46Å; W41-H65 AromaticContact CE3-ND1 3.58Å; W41-H65 HydrophobicContact CG-CB 3.96Å; W41-H65 AromaticContact CG-CD2 3.81Å; W41-H65 AromaticContact CG-CG 3.95Å; W41-H65 HydrophobicContact CH2-CB 4.28Å; W41-H65 HydrophobicContact CZ2-CB 4.07Å; W41-H65 HydrophobicContact CZ3-CB 4.11Å; W41-H65 AromaticContact CZ3-ND1 3.94Å; W41-R67 HydrophobicContact CZ2-CG 4.28Å; W41-G70 WeakPolarHBondContact CA-O 3.43Å
42V96.4Very high94.4Very high33 Ų3377.9 Ų77.920%0.237%0.373CS..PPolyproline II helixtrans-60.5126.2170.8-178.10000108.3D44 E46 C47 M51 H65 G70V42-D44 PolarHBondContact O-N 3.23Å; V42-E46 HydrophobicContact CG1-CB 4Å; V42-C47 VanDerWaalsContact CG1-SG 3.59Å; V42-M51 HydrophobicContact CB-CE 4.07Å; V42-M51 HydrophobicContact CG1-CE 3.71Å; V42-M51 HydrophobicContact CG2-CE 3.91Å; V42-M51 HydrophobicContact CG2-SD 4.36Å; V42-H65 PolarHBondContact O-NE2 2.85Å; V42-G70 PolarHBondContact N-O 3.35Å
43P96.3Very high94.7Very high67 Ų6779.5 Ų79.544%0.43538%0.384SS..PPolyproline II helixtrans-56.1139.9-179.2-27.936.1000112.4W41 K45 E46 C47W41-P43 WeakPolarHBondContact O-CD 3.43Å; P43-K45 PolarHBondContact O-N 3.37Å; P43-E46 PolarHBondContact O-N 3.18Å; P43-C47 PolarHBondContact O-N 3.42Å; P43-C47 PolarHBondContact O-SG 3.17Å
44D94.2Very high95Very high89 Ų8983 Ų8348%0.47640%0.401SS..THydrogen-bonded Turntrans-55.5-31.9-178-86.7-23.8000113.1V42 E46 C47 K63 H65V42-D44 PolarHBondContact O-N 3.23Å; D44-E46 VanDerWaalsContact C-N 3.26Å; D44-E46 PolarHBondContact O-N 3Å; D44-C47 PolarHBondContact O-N 3.08Å; D44-K63 HydrophobicContact CB-CD 4.36Å; D44-K63 PolarHBondContact O-NZ 3.44Å; D44-H65 IonicContact OD1-CE1 3.23Å; D44-H65 PolarHBondContact OD1-CE1 3.31Å; D44-H65 VanDerWaalsContact OD1-CE1 3.23Å; D44-H65 IonicContact OD1-NE2 3.84Å
45K94.6Very high95.4Very high193 Ų19384.7 Ų84.784%0.83942%0.415SS*.THydrogen-bonded Turntrans-65.3-29.2179.2-65-178.7-179.4178.20113P43P43-K45 PolarHBondContact O-N 3.37Å
46E94.8Very high95.7Very high134 Ų13489.9 Ų89.963%0.62643%0.43SS*.THydrogen-bonded Turntrans-85.3-23178-66.4170.6-145.400111.5V42 P43 D44 R48V42-E46 HydrophobicContact CG1-CB 4Å; P43-E46 PolarHBondContact O-N 3.18Å; D44-E46 VanDerWaalsContact C-N 3.26Å; D44-E46 PolarHBondContact O-N 3Å; E46-R48 PolarHBondContact O-N 2.71Å
47C95Very high96Very high1 Ų189.6 Ų89.61%0.00743%0.427CS..  trans-77.479.4177.9-56.60000111.4V42 P43 D44 F57 K63 C72V42-C47 VanDerWaalsContact CG1-SG 3.59Å; P43-C47 PolarHBondContact O-N 3.42Å; P43-C47 PolarHBondContact O-SG 3.17Å; D44-C47 PolarHBondContact O-N 3.08Å; C47-F57 HydrophobicContact CB-CE2 4.23Å; C47-F57 WeakPolarHBondContact O-CD2 3.4Å; C47-K63 HydrophobicContact CB-CD 3.98Å; C47-K63 WeakPolarHBondContact O-CE 3.35Å; C47-K63 PolarHBondContact O-NZ 3.21Å; C47-C72 HydrophobicContact CB-CB 3.77Å; C47-C72 VanDerWaalsContact CB-SG 3.59Å; C47-C72 WeakPolarHBondContact SG-CB 3.13Å
48R96.4Very high96.3Very high203 Ų20387 Ų8777%0.76642%0.418SS*.  trans-84-29.3175.9-63.9-175.5-178.9-1771113.4E46 F57E46-R48 PolarHBondContact O-N 2.71Å; R48-F57 PolarHBondContact O-N 2.93Å
49R98.3Very high96.3Very high117 Ų11794.9 Ų94.944%0.44245%0.452SS..BIsolated β-bridgetrans-142.1156.1-176.5-63-178172-98.75.1110.5M51 D54 A55 F57R49-M51 PolarHBondContact O-N 2.98Å; R49-D54 WeakPolarHBondContact CD-O 3.25Å; R49-D54 WeakPolarHBondContact CD-OD1 3.37Å; R49-D54 IonicContact CZ-OD2 3.38Å; R49-D54 IonicContact NE-OD2 2.71Å; R49-D54 PolarHBondContact NH1-O 2.9Å; R49-D54 IonicContact NH1-OD2 3.5Å; R49-D54 PolarHBondContact NH1-OD2 3.33Å; R49-A55 CarbonylContact C-O 3.51Å; R49-A55 VanDerWaalsContact CA-O 3.29Å; R49-A55 WeakPolarHBondContact CA-O 3.05Å; R49-F57 WeakPolarHBondContact O-CE2 3.45Å
50C98.3Very high96.3Very high2 Ų2101.1 Ų101.11%0.01448%0.483CS..  trans-59.1126.3173.7178.40000110.2Q52 D54 A55 F57 C74C50-Q52 PolarHBondContact O-N 3.05Å; C50-D54 VanDerWaalsContact O-CA 3.31Å; C50-D54 WeakPolarHBondContact O-CA 2.95Å; C50-D54 PolarHBondContact O-N 2.82Å; C50-A55 HydrophobicContact CB-CB 4.29Å; C50-A55 PolarHBondContact N-O 3.06Å; C50-F57 HydrophobicContact CB-CE1 4.39Å; C50-F57 HydrophobicContact CB-CZ 4.09Å; C50-C74 HydrophobicContact CB-CB 4.34Å; C50-C74 PolarHBondContact SG-N 3.5Å; C50-C74 VanDerWaalsContact SG-N 3.37Å
51M98Very high96.4Very high82 Ų8294.5 Ų94.540%0.40446%0.455SS..THydrogen-bonded Turntrans-73.17.1-178.1-64.6-176.3170.700114.5V42 R49 K71 C72 F73V42-M51 HydrophobicContact CB-CE 4.07Å; V42-M51 HydrophobicContact CG1-CE 3.71Å; V42-M51 HydrophobicContact CG2-CE 3.91Å; V42-M51 HydrophobicContact CG2-SD 4.36Å; R49-M51 PolarHBondContact O-N 2.98Å; M51-K71 HydrophobicContact SD-CB 3.59Å; M51-K71 VanDerWaalsContact SD-CB 3.59Å; M51-K71 HydrophobicContact SD-CD 4.37Å; M51-K71 HydrophobicContact SD-CG 3.87Å; M51-C72 WeakPolarHBondContact CB-O 3.34Å; M51-C72 VanDerWaalsContact CG-O 3.28Å; M51-C72 WeakPolarHBondContact CG-O 3.39Å; M51-C72 PolarHBondContact N-O 2.89Å; M51-C72 PolarHBondContact SD-N 3.35Å; M51-F73 HydrophobicContact CB-CD1 4.48Å; M51-F73 HydrophobicContact CB-CE1 4.13Å
52Q97.6Very high96.4Very high130 Ų13099.9 Ų99.961%0.60748%0.475SS*.THydrogen-bonded Turntrans-117.9-51.7174.2-17667.116.400112.4C50 F73 C77C50-Q52 PolarHBondContact O-N 3.05Å; Q52-F73 HydrophobicContact CB-CD1 3.82Å; Q52-F73 HydrophobicContact CB-CE1 3.91Å; Q52-C77 HydrophobicContact CB-CB 3.99Å; Q52-C77 HydrophobicContact CG-CB 4.35Å
53C97.9Very high96.5Very high67 Ų67102 Ų10245%0.45348%0.482SS..THydrogen-bonded Turntrans-109.94-172.969.20000114.3A55 C77C53-A55 PolarHBondContact O-N 3.41Å; C53-A55 VanDerWaalsContact SG-CB 3.59Å; C53-C77 VanDerWaalsContact SG-SG 3.65Å
54D97.9Very high96.5Very high97 Ų97100.6 Ų100.652%0.51947%0.469SS..  trans58.910-179.8-157.352000116.1R49 C50 K56R49-D54 WeakPolarHBondContact CD-O 3.25Å; R49-D54 WeakPolarHBondContact CD-OD1 3.37Å; R49-D54 IonicContact CZ-OD2 3.38Å; R49-D54 IonicContact NE-OD2 2.71Å; R49-D54 PolarHBondContact NH1-O 2.9Å; R49-D54 IonicContact NH1-OD2 3.5Å; R49-D54 PolarHBondContact NH1-OD2 3.33Å; C50-D54 VanDerWaalsContact O-CA 3.31Å; C50-D54 WeakPolarHBondContact O-CA 2.95Å; C50-D54 PolarHBondContact O-N 2.82Å; D54-K56 PolarHBondContact O-N 3.26Å
55A97.7Very high96.7Very high36 Ų3697 Ų9730%0.29845%0.45SS..PPolyproline II helixtrans-56.8128173.600000110.5R49 C50 C53R49-A55 CarbonylContact C-O 3.51Å; R49-A55 VanDerWaalsContact CA-O 3.29Å; R49-A55 WeakPolarHBondContact CA-O 3.05Å; C50-A55 HydrophobicContact CB-CB 4.29Å; C50-A55 PolarHBondContact N-O 3.06Å; C53-A55 PolarHBondContact O-N 3.41Å; C53-A55 VanDerWaalsContact SG-CB 3.59Å
56K97.9Very high96.8Very high138 Ų13887.8 Ų87.860%0.641%0.41SS*.BIsolated β-bridgetrans-65.7134.5176.8-173.3-179176.2-174.50109.6D54D54-K56 PolarHBondContact O-N 3.26Å
57F98.1Very high97Very high20 Ų2083.7 Ų83.79%0.08839%0.389CS..PPolyproline II helixtrans-78.7137.6171.5-63.7-60.2000110.6C47 R48 R49 C50 T61 K63 C72 F73 C74C47-F57 HydrophobicContact CB-CE2 4.23Å; C47-F57 WeakPolarHBondContact O-CD2 3.4Å; R48-F57 PolarHBondContact O-N 2.93Å; R49-F57 WeakPolarHBondContact O-CE2 3.45Å; C50-F57 HydrophobicContact CB-CE1 4.39Å; C50-F57 HydrophobicContact CB-CZ 4.09Å; F57-T61 WeakPolarHBondContact CA-O 3.45Å; F57-T61 HydrophobicContact CD1-CG2 3.96Å; F57-T61 WeakPolarHBondContact CD1-O 3.3Å; F57-T61 HydrophobicContact CE1-CG2 4.4Å; F57-K63 HydrophobicContact CB-CG 4.14Å; F57-K63 HydrophobicContact CD1-CG 3.87Å; F57-K63 HydrophobicContact CD2-CD 4.28Å; F57-K63 HydrophobicContact CD2-CG 3.7Å; F57-K63 HydrophobicContact CE1-CG 4.12Å; F57-K63 HydrophobicContact CE2-CG 3.94Å; F57-K63 HydrophobicContact CG-CD 4.49Å; F57-K63 HydrophobicContact CG-CG 3.64Å; F57-K63 HydrophobicContact CZ-CG 4.16Å; F57-C72 VanDerWaalsContact CZ-SG 3.57Å; F57-F73 WeakPolarHBondContact CE1-O 3.42Å; F57-C74 HydrophobicContact CE1-CB 4.19Å
58D94.9Very high97Very high89 Ų8985.3 Ų85.348%0.47640%0.395SS..  trans-153-163.6179.561.523.9000109.8L60 T61D58-L60 VanDerWaalsContact C-N 3.25Å; D58-L60 PolarHBondContact O-N 3.28Å; D58-L60 WeakPolarHBondContact OD1-CA 3.2Å; D58-L60 PolarHBondContact OD1-N 3.01Å; D58-T61 PolarHBondContact N-O 3.41Å; D58-T61 CarbonylContact O-C 3.56Å; D58-T61 VanDerWaalsContact O-O 3.12Å; D58-T61 PolarHBondContact OD1-N 3.49Å
59F93.1Very high97Very high209 Ų20977.6 Ų77.692%0.91737%0.371SS*.SBendtrans-66-25-179.6-71.1-77.9000113.7
60L94.1Very high96.9Very high162 Ų16272 Ų7285%0.84835%0.35SS*.SBendtrans-93.8-39.2179-61.6176.4000111.2D58 R62D58-L60 VanDerWaalsContact C-N 3.25Å; D58-L60 PolarHBondContact O-N 3.28Å; D58-L60 WeakPolarHBondContact OD1-CA 3.2Å; D58-L60 PolarHBondContact OD1-N 3.01Å; L60-R62 PolarHBondContact O-N 3.01Å
61T96.4Very high96.9Very high45 Ų4576.8 Ų76.828%0.27637%0.371SS..SBendtrans-96.892.7180-50.70000109.8F57 D58 C74F57-T61 WeakPolarHBondContact CA-O 3.45Å; F57-T61 HydrophobicContact CD1-CG2 3.96Å; F57-T61 WeakPolarHBondContact CD1-O 3.3Å; F57-T61 HydrophobicContact CE1-CG2 4.4Å; D58-T61 PolarHBondContact N-O 3.41Å; D58-T61 CarbonylContact O-C 3.56Å; D58-T61 VanDerWaalsContact O-O 3.12Å; D58-T61 PolarHBondContact OD1-N 3.49Å; T61-C74 HydrophobicContact CG2-CB 3.71Å
62R96.8Very high96.9Very high183 Ų18372.9 Ų72.969%0.69135%0.351SS*.  trans-77156.1179.3-60.5-17369.4176.82112.5L60 H64L60-R62 PolarHBondContact O-N 3.01Å; R62-H64 PolarHBondContact O-CD2 3.49Å; R62-H64 VanDerWaalsContact O-CD2 3.3Å
63K97.6Very high97Very high77 Ų7767 Ų6734%0.33532%0.323SS..  trans-82.2138.3176.7-66175.8-168.3179.90111.1D44 C47 F57D44-K63 HydrophobicContact CB-CD 4.36Å; D44-K63 PolarHBondContact O-NZ 3.44Å; C47-K63 HydrophobicContact CB-CD 3.98Å; C47-K63 WeakPolarHBondContact O-CE 3.35Å; C47-K63 PolarHBondContact O-NZ 3.21Å; F57-K63 HydrophobicContact CB-CG 4.14Å; F57-K63 HydrophobicContact CD1-CG 3.87Å; F57-K63 HydrophobicContact CD2-CD 4.28Å; F57-K63 HydrophobicContact CD2-CG 3.7Å; F57-K63 HydrophobicContact CE1-CG 4.12Å; F57-K63 HydrophobicContact CE2-CG 3.94Å; F57-K63 HydrophobicContact CG-CD 4.49Å; F57-K63 HydrophobicContact CG-CG 3.64Å; F57-K63 HydrophobicContact CZ-CG 4.16Å
64H97.2Very high97Very high38 Ų3864.3 Ų64.318%0.17631%0.305CS..EExtended strand (participates in β ladder)trans-140.2127176.5-57.3-76.1000111.2R62 C72 F73 D75R62-H64 PolarHBondContact O-CD2 3.49Å; R62-H64 VanDerWaalsContact O-CD2 3.3Å; H64-C72 CarbonylContact O-C 3.58Å; H64-C72 WeakPolarHBondContact O-CA 3.39Å; H64-F73 PolarHBondContact N-O 3.32Å; H64-F73 PolarHBondContact O-N 3.43Å; H64-D75 PolarHBondContact CD2-N 3.37Å; H64-D75 VanDerWaalsContact CD2-N 3.3Å
65H97.6Very high96.9Very high14 Ų1463.6 Ų63.67%0.06530%0.302CS..EExtended strand (participates in β ladder)trans-89.1136.4175.8-60.975.1000112.2W41 V42 D44 R67 G70 K71W41-H65 HydrophobicContact CD2-CB 3.5Å; W41-H65 VanDerWaalsContact CD2-CB 3.5Å; W41-H65 AromaticContact CD2-CD2 3.93Å; W41-H65 AromaticContact CD2-CG 3.59Å; W41-H65 HydrophobicContact CE3-CB 3.71Å; W41-H65 AromaticContact CE3-CD2 3.97Å; W41-H65 AromaticContact CE3-CG 3.46Å; W41-H65 VanDerWaalsContact CE3-CG 3.46Å; W41-H65 AromaticContact CE3-ND1 3.58Å; W41-H65 HydrophobicContact CG-CB 3.96Å; W41-H65 AromaticContact CG-CD2 3.81Å; W41-H65 AromaticContact CG-CG 3.95Å; W41-H65 HydrophobicContact CH2-CB 4.28Å; W41-H65 HydrophobicContact CZ2-CB 4.07Å; W41-H65 HydrophobicContact CZ3-CB 4.11Å; W41-H65 AromaticContact CZ3-ND1 3.94Å; V42-H65 PolarHBondContact O-NE2 2.85Å; D44-H65 IonicContact OD1-CE1 3.23Å; D44-H65 PolarHBondContact OD1-CE1 3.31Å; D44-H65 VanDerWaalsContact OD1-CE1 3.23Å; D44-H65 IonicContact OD1-NE2 3.84Å; H65-R67 WeakPolarHBondContact O-CD 3.48Å; H65-R67 PolarHBondContact O-NH1 2.83Å; H65-G70 PolarHBondContact CD2-O 3.16Å; H65-K71 WeakPolarHBondContact CA-O 3.44Å
66C97.9Very high96.9Very high0 Ų072.6 Ų72.60%033%0.328CS..  trans-73.5126.2166.6171.80000109.2R68 C69 G70 K71 F73 C96C66-R68 PolarHBondContact O-N 2.9Å; C66-R68 PolarHBondContact SG-N 3.21Å; C66-R68 VanDerWaalsContact SG-N 3.42Å; C66-C69 VanDerWaalsContact CB-SG 3.55Å; C66-G70 WeakPolarHBondContact O-CA 3.02Å; C66-G70 PolarHBondContact O-N 2.9Å; C66-K71 PolarHBondContact N-O 3.41Å; C66-F73 HydrophobicContact CB-CD2 4.08Å; C66-F73 HydrophobicContact CB-CE2 3.66Å; C66-C96 HydrophobicContact CB-CB 4.13Å; C66-C96 PolarHBondContact SG-N 3.13Å; C66-C96 VanDerWaalsContact SG-N 3.37Å
67R97.5Very high96.9Very high48 Ų4867 Ų6718%0.18131%0.306CS..THydrogen-bonded Turntrans-72-11.7-179-80.372.4171.2156.72.6114.2W41 H65 L84 V93 R94W41-R67 HydrophobicContact CZ2-CG 4.28Å; H65-R67 WeakPolarHBondContact O-CD 3.48Å; H65-R67 PolarHBondContact O-NH1 2.83Å; R67-L84 HydrophobicContact CB-CD2 4.37Å; R67-V93 HydrophobicContact CB-CB 3.87Å; R67-V93 HydrophobicContact CB-CG2 3.69Å; R67-V93 HydrophobicContact CG-CB 3.93Å; R67-V93 HydrophobicContact CG-CG1 4.43Å; R67-V93 HydrophobicContact CG-CG2 4.31Å; R67-R94 VanDerWaalsContact CD-O 3.23Å; R67-R94 WeakPolarHBondContact CD-O 3.36Å; R67-R94 PolarHBondContact N-O 2.88Å
68R95.8Very high96.9Very high35 Ų3566 Ų6613%0.13230%0.302CS..THydrogen-bonded Turntrans-93.5-38.9177.3-174.3172.5-171.8-87.2-3.7113.3P39 C66 L84 M87 C99 S103 E106P39-R68 WeakPolarHBondContact CG-O 3.38Å; C66-R68 PolarHBondContact O-N 2.9Å; C66-R68 PolarHBondContact SG-N 3.21Å; C66-R68 VanDerWaalsContact SG-N 3.42Å; R68-L84 HydrophobicContact CB-CD1 4.15Å; R68-L84 HydrophobicContact CB-CD2 3.91Å; R68-L84 HydrophobicContact CG-CD1 3.97Å; R68-L84 HydrophobicContact CG-CD2 4.49Å; R68-M87 HydrophobicContact CG-CE 4.2Å; R68-M87 WeakPolarHBondContact O-CE 3.37Å; R68-C99 HydrophobicContact CB-CB 3.86Å; R68-C99 HydrophobicContact CG-CB 4.16Å; R68-S103 WeakPolarHBondContact CD-OG 3.35Å; R68-E106 IonicContact NH2-OE1 3.38Å; R68-E106 PolarHBondContact NH2-OE1 3.08Å
69C96.5Very high97Very high40 Ų4064.9 Ų64.927%0.2730%0.301SS..THydrogen-bonded Turntrans-115.2-6.1-177.669.50000115.3C66 K71C66-C69 VanDerWaalsContact CB-SG 3.55Å; C69-K71 PolarHBondContact O-N 3.43Å
70G96.6Very high97.2Very high0 Ų059 Ų590%028%0.276CS..  trans71.8-6.6178.800000115.6W41 V42 H65 C66W41-G70 WeakPolarHBondContact CA-O 3.43Å; V42-G70 PolarHBondContact N-O 3.35Å; H65-G70 PolarHBondContact CD2-O 3.16Å; C66-G70 WeakPolarHBondContact O-CA 3.02Å; C66-G70 PolarHBondContact O-N 2.9Å
71K97.9Very high97.3Very high103 Ų10358.7 Ų58.745%0.44827%0.268SS..  trans-68.3158.2176.2-66.4-179.4-175177.30112.1M51 H65 C66 C69 F73M51-K71 HydrophobicContact SD-CB 3.59Å; M51-K71 VanDerWaalsContact SD-CB 3.59Å; M51-K71 HydrophobicContact SD-CD 4.37Å; M51-K71 HydrophobicContact SD-CG 3.87Å; H65-K71 WeakPolarHBondContact CA-O 3.44Å; C66-K71 PolarHBondContact N-O 3.41Å; C69-K71 PolarHBondContact O-N 3.43Å; K71-F73 VanDerWaalsContact C-CE2 3.5Å; K71-F73 HydrophobicContact CB-CD2 4.46Å; K71-F73 HydrophobicContact CB-CE2 3.46Å; K71-F73 VanDerWaalsContact CB-CE2 3.46Å; K71-F73 HydrophobicContact CB-CZ 3.55Å; K71-F73 HydrophobicContact CD-CZ 4.3Å; K71-F73 VanDerWaalsContact O-CD2 3.32Å; K71-F73 WeakPolarHBondContact O-CD2 3.47Å; K71-F73 VanDerWaalsContact O-CE2 3.26Å; K71-F73 WeakPolarHBondContact O-CE2 3.4Å
72C98.2Very high97.3Very high0 Ų056.7 Ų56.70%026%0.256CS..EExtended strand (participates in β ladder)trans-107.1134.8-176.6-177.90000113.5C47 M51 F57 H64C47-C72 HydrophobicContact CB-CB 3.77Å; C47-C72 VanDerWaalsContact CB-SG 3.59Å; C47-C72 WeakPolarHBondContact SG-CB 3.13Å; M51-C72 WeakPolarHBondContact CB-O 3.34Å; M51-C72 VanDerWaalsContact CG-O 3.28Å; M51-C72 WeakPolarHBondContact CG-O 3.39Å; M51-C72 PolarHBondContact N-O 2.89Å; M51-C72 PolarHBondContact SD-N 3.35Å; F57-C72 VanDerWaalsContact CZ-SG 3.57Å; H64-C72 CarbonylContact O-C 3.58Å; H64-C72 WeakPolarHBondContact O-CA 3.39Å
73F98.5Very high97.2Very high5 Ų550.2 Ų50.22%0.02224%0.237CC..EExtended strand (participates in β ladder)trans-138.7163.4-171.3-57.8-83.6000111.5M51 Q52 F57 H64 C66 K71 C77 C78 C96M51-F73 HydrophobicContact CB-CD1 4.48Å; M51-F73 HydrophobicContact CB-CE1 4.13Å; Q52-F73 HydrophobicContact CB-CD1 3.82Å; Q52-F73 HydrophobicContact CB-CE1 3.91Å; F57-F73 WeakPolarHBondContact CE1-O 3.42Å; H64-F73 PolarHBondContact N-O 3.32Å; H64-F73 PolarHBondContact O-N 3.43Å; C66-F73 HydrophobicContact CB-CD2 4.08Å; C66-F73 HydrophobicContact CB-CE2 3.66Å; K71-F73 VanDerWaalsContact C-CE2 3.5Å; K71-F73 HydrophobicContact CB-CD2 4.46Å; K71-F73 HydrophobicContact CB-CE2 3.46Å; K71-F73 VanDerWaalsContact CB-CE2 3.46Å; K71-F73 HydrophobicContact CB-CZ 3.55Å; K71-F73 HydrophobicContact CD-CZ 4.3Å; K71-F73 VanDerWaalsContact O-CD2 3.32Å; K71-F73 WeakPolarHBondContact O-CD2 3.47Å; K71-F73 VanDerWaalsContact O-CE2 3.26Å; K71-F73 WeakPolarHBondContact O-CE2 3.4Å; F73-C77 HydrophobicContact CB-CB 4.12Å; F73-C77 HydrophobicContact CD1-CB 4.15Å; F73-C78 HydrophobicContact CB-CB 3.46Å; F73-C78 VanDerWaalsContact CB-CB 3.46Å; F73-C78 HydrophobicContact CD2-CB 4.09Å; F73-C78 HydrophobicContact CG-CB 3.97Å; F73-C96 HydrophobicContact CD1-CB 4.28Å; F73-C96 HydrophobicContact CD2-CB 3.92Å; F73-C96 HydrophobicContact CE1-CB 3.96Å; F73-C96 HydrophobicContact CE2-CB 3.56Å; F73-C96 HydrophobicContact CG-CB 4.27Å; F73-C96 HydrophobicContact CZ-CB 3.58Å
74C98.3Very high97.1Very high11 Ų1146.6 Ų46.67%0.07422%0.221CC..  trans-78.2167.2162.769.30000110.6C50 F57 T61 R76 C77 C78C50-C74 HydrophobicContact CB-CB 4.34Å; C50-C74 PolarHBondContact SG-N 3.5Å; C50-C74 VanDerWaalsContact SG-N 3.37Å; F57-C74 HydrophobicContact CE1-CB 4.19Å; T61-C74 HydrophobicContact CG2-CB 3.71Å; C74-R76 VanDerWaalsContact C-N 3.3Å; C74-R76 PolarHBondContact O-N 2.99Å; C74-C77 PolarHBondContact O-N 2.94Å; C74-C77 VanDerWaalsContact O-N 3.17Å; C74-C78 PolarHBondContact O-N 3.4Å
75D97.4Very high96.9Very high82 Ų8250.3 Ų50.344%0.43923%0.234SC..THydrogen-bonded Turntrans-57.3-43.3-177.2-173.869.9000111.9H64 C77 C78 S79 R94H64-D75 PolarHBondContact CD2-N 3.37Å; H64-D75 VanDerWaalsContact CD2-N 3.3Å; D75-C77 VanDerWaalsContact C-N 3.32Å; D75-C77 PolarHBondContact O-N 3.47Å; D75-C78 CarbonylContact O-C 3.2Å; D75-C78 PolarHBondContact O-N 3.27Å; D75-S79 WeakPolarHBondContact O-CA 3.29Å; D75-S79 VanDerWaalsContact O-CB 3.24Å; D75-S79 WeakPolarHBondContact O-CB 3.4Å; D75-S79 PolarHBondContact O-N 3.34Å; D75-R94 IonicContact OD1-CZ 2.82Å; D75-R94 IonicContact OD1-NH1 3.72Å; D75-R94 PolarHBondContact OD1-NH1 2.92Å; D75-R94 IonicContact OD1-NH2 3.27Å; D75-R94 PolarHBondContact OD1-NH2 2.96Å
76R97.3Very high96.6Very high225 Ų22549.7 Ų49.785%0.84923%0.231SC*.THydrogen-bonded Turntrans-57.2-40.6178.5-172.6-177-63.5-151.41113.3C74 C78C74-R76 VanDerWaalsContact C-N 3.3Å; C74-R76 PolarHBondContact O-N 2.99Å; R76-C78 VanDerWaalsContact C-N 3.31Å
77C98.1Very high96.4Very high20 Ų2050.1 Ų50.114%0.13523%0.233CC..THydrogen-bonded Turntrans-83.3-9.5-178.5-67.60000113.2Q52 C53 F73 C74 D75 C96 A97Q52-C77 HydrophobicContact CB-CB 3.99Å; Q52-C77 HydrophobicContact CG-CB 4.35Å; C53-C77 VanDerWaalsContact SG-SG 3.65Å; F73-C77 HydrophobicContact CB-CB 4.12Å; F73-C77 HydrophobicContact CD1-CB 4.15Å; C74-C77 PolarHBondContact O-N 2.94Å; C74-C77 VanDerWaalsContact O-N 3.17Å; D75-C77 VanDerWaalsContact C-N 3.32Å; D75-C77 PolarHBondContact O-N 3.47Å; C77-C96 WeakPolarHBondContact O-CA 3.27Å; C77-A97 PolarHBondContact O-N 2.98Å
78C97.9Very high96.3Very high0 Ų049.6 Ų49.60%024%0.237CC..SBendtrans-146.448.9-173.5-168.70000111.8F73 C74 D75 R76 R94 Q95 C96F73-C78 HydrophobicContact CB-CB 3.46Å; F73-C78 VanDerWaalsContact CB-CB 3.46Å; F73-C78 HydrophobicContact CD2-CB 4.09Å; F73-C78 HydrophobicContact CG-CB 3.97Å; C74-C78 PolarHBondContact O-N 3.4Å; D75-C78 CarbonylContact O-C 3.2Å; D75-C78 PolarHBondContact O-N 3.27Å; R76-C78 VanDerWaalsContact C-N 3.31Å; C78-R94 WeakPolarHBondContact O-CD 3.39Å; C78-R94 WeakPolarHBondContact O-CG 3.38Å; C78-R94 PolarHBondContact O-NH1 3.33Å; C78-Q95 CarbonylContact C-O 3.6Å; C78-Q95 WeakPolarHBondContact CA-O 3.5Å; C78-Q95 PolarHBondContact SG-O 3.25Å; C78-Q95 VanDerWaalsContact SG-O 3.37Å; C78-C96 PolarHBondContact SG-N 3.41Å
79S96.1Very high96.3Very high66 Ų6648.6 Ų48.646%0.46223%0.233SC..  trans-92.9-20-173.452.80000114.2D75D75-S79 WeakPolarHBondContact O-CA 3.29Å; D75-S79 VanDerWaalsContact O-CB 3.24Å; D75-S79 WeakPolarHBondContact O-CB 3.4Å; D75-S79 PolarHBondContact O-N 3.34Å
80Q97.3Very high96.2Very high86 Ų8650 Ų5040%0.40224%0.24SC..EExtended strand (participates in β ladder)trans-80140.4-170.8-61.4-175.65.500111.6V82 R94 Q95 A100Q80-V82 HydrophobicContact CB-CG2 4.11Å; Q80-R94 CarbonylContact O-C 3.53Å; Q80-R94 VanDerWaalsContact O-CA 3.26Å; Q80-R94 WeakPolarHBondContact O-CA 3.48Å; Q80-Q95 PolarHBondContact O-N 2.65Å; Q80-A100 HydrophobicContact CB-CB 4.4Å
81K97Very high96.1Very high155 Ų15554.8 Ų54.867%0.67427%0.266SS*.EExtended strand (participates in β ladder)trans-106.8116.3167.4-68.4-173.8-179.6-179.10109.2P92 V93K81-P92 HydrophobicContact CB-CB 4.05Å; K81-V93 VanDerWaalsContact CA-O 3.3Å; K81-V93 WeakPolarHBondContact CA-O 3.43Å
82V96.1Very high96Very high2 Ų253 Ų531%0.01227%0.265CS..EExtended strand (participates in β ladder)trans-129.4140.7-173.4-174.50000109.7Q80 L84 V93 A100Q80-V82 HydrophobicContact CB-CG2 4.11Å; V82-L84 PolarHBondContact O-N 3.44Å; V82-V93 PolarHBondContact N-O 2.88Å; V82-V93 PolarHBondContact O-N 2.86Å; V82-A100 HydrophobicContact CG2-CB 3.84Å
83P95.4Very high95.9Very high47 Ų4753.6 Ų53.631%0.30527%0.268SS..  trans-53.9132.5172.2-25.434.3000111.7P92P83-P92 HydrophobicContact CG-CG 4.33Å
84L95.1Very high95.9Very high1 Ų155.7 Ų55.71%0.00528%0.276CS..  trans-12565.9179.9-170.957.2000110R67 R68 V82 R86 M87 F89 V93 S103R67-L84 HydrophobicContact CB-CD2 4.37Å; R68-L84 HydrophobicContact CB-CD1 4.15Å; R68-L84 HydrophobicContact CB-CD2 3.91Å; R68-L84 HydrophobicContact CG-CD1 3.97Å; R68-L84 HydrophobicContact CG-CD2 4.49Å; V82-L84 PolarHBondContact O-N 3.44Å; L84-R86 VanDerWaalsContact C-N 3.33Å; L84-R86 PolarHBondContact O-N 2.83Å; L84-M87 HydrophobicContact CD1-SD 4.45Å; L84-M87 HydrophobicContact CD2-CB 4.39Å; L84-M87 HydrophobicContact CD2-CG 4.39Å; L84-M87 HydrophobicContact CD2-SD 3.6Å; L84-M87 VanDerWaalsContact CD2-SD 3.6Å; L84-M87 HydrophobicContact CG-CB 4.16Å; L84-M87 HydrophobicContact CG-CG 4.25Å; L84-M87 HydrophobicContact CG-SD 4.06Å; L84-M87 PolarHBondContact O-N 3.33Å; L84-F89 HydrophobicContact CB-CD2 3.94Å; L84-F89 HydrophobicContact CD2-CD2 3.83Å; L84-F89 HydrophobicContact CD2-CE2 3.89Å; L84-F89 HydrophobicContact CG-CD2 4.02Å; L84-F89 HydrophobicContact CG-CE2 4.49Å; L84-F89 PolarHBondContact O-N 3.31Å; L84-V93 HydrophobicContact CB-CG2 3.65Å; L84-V93 HydrophobicContact CD2-CG2 3.8Å; L84-V93 HydrophobicContact CG-CG2 4.41Å; L84-S103 WeakPolarHBondContact CD1-OG 3.2Å
85R92.6Very high95.9Very high116 Ų11655.2 Ų55.244%0.43827%0.273SS..G310 helixtrans-64.6-33.2-170.1-65.6-178.5-172.9-77.16.8113.3M87 C88 Y110 D111R85-M87 PolarHBondContact O-N 3.09Å; R85-C88 WeakPolarHBondContact O-CA 3.43Å; R85-C88 PolarHBondContact O-N 2.64Å; R85-Y110 HydrophobicContact CB-CD1 4.23Å; R85-Y110 HydrophobicContact CB-CD2 3.94Å; R85-Y110 HydrophobicContact CB-CE1 4.35Å; R85-Y110 HydrophobicContact CB-CE2 4.08Å; R85-Y110 HydrophobicContact CB-CG 4.05Å; R85-Y110 VanDerWaalsContact CD-CG 3.45Å; R85-Y110 HydrophobicContact CG-CG 4.41Å; R85-D111 IonicContact CZ-OD1 3.92Å; R85-D111 IonicContact NE-OD1 2.85Å; R85-D111 PolarHBondContact NE-OD1 3.01Å; R85-D111 IonicContact NH2-OD1 2.74Å; R85-D111 PolarHBondContact NH2-OD1 2.83Å
86R92.1Very high95.9Very high2 Ų251.5 Ų51.51%0.00825%0.254CS..G310 helixtrans-59.6-33.2176.8-67.8-173.277169.63.8112.8F34 G35 L36 L84 C88 E106 Y110 L245 S249F34-R86 PolarHBondContact O-NE 3.45Å; G35-R86 CarbonylContact C-O 3.52Å; G35-R86 VanDerWaalsContact CA-O 3.23Å; G35-R86 WeakPolarHBondContact CA-O 3.32Å; L36-R86 HydrophobicContact CB-CB 4.28Å; L36-R86 HydrophobicContact CD1-CB 4.08Å; L36-R86 HydrophobicContact CG-CB 4.08Å; L36-R86 PolarHBondContact N-O 3.43Å; L84-R86 VanDerWaalsContact C-N 3.33Å; L84-R86 PolarHBondContact O-N 2.83Å; R86-C88 VanDerWaalsContact C-N 3.31Å; R86-E106 WeakPolarHBondContact CD-OE1 3.24Å; R86-E106 WeakPolarHBondContact CD-OE2 3.48Å; R86-E106 IonicContact CZ-OE1 3.48Å; R86-E106 IonicContact NE-OE1 3.14Å; R86-E106 IonicContact NH1-OE1 2.97Å; R86-E106 PolarHBondContact NH1-OE1 2.96Å; R86-Y110 HydrophobicContact CG-CE2 3.8Å; R86-Y110 VanDerWaalsContact CG-OH 3.28Å; R86-Y110 WeakPolarHBondContact CG-OH 3.3Å; R86-L245 PolarHBondContact NH2-O 2.66Å; R86-S249 PolarHBondContact NH2-OG 3.2Å
87M93.6Very high95.8Very high8 Ų843.5 Ų43.54%0.03924%0.235CC..G310 helixtrans-95.714176.2-61.2174.8-176.100112.7R22 L36 E37 R68 L84 R85 F89R22-M87 PolarHBondContact NE-O 3.09Å; R22-M87 PolarHBondContact NH2-O 3.15Å; L36-M87 HydrophobicContact CB-CE 4.1Å; L36-M87 HydrophobicContact CB-CG 3.92Å; L36-M87 HydrophobicContact CD1-CE 4.32Å; L36-M87 WeakPolarHBondContact O-CA 3.36Å; E37-M87 WeakPolarHBondContact O-CE 3.49Å; R68-M87 HydrophobicContact CG-CE 4.2Å; R68-M87 WeakPolarHBondContact O-CE 3.37Å; L84-M87 HydrophobicContact CD1-SD 4.45Å; L84-M87 HydrophobicContact CD2-CB 4.39Å; L84-M87 HydrophobicContact CD2-CG 4.39Å; L84-M87 HydrophobicContact CD2-SD 3.6Å; L84-M87 VanDerWaalsContact CD2-SD 3.6Å; L84-M87 HydrophobicContact CG-CB 4.16Å; L84-M87 HydrophobicContact CG-CG 4.25Å; L84-M87 HydrophobicContact CG-SD 4.06Å; L84-M87 PolarHBondContact O-N 3.33Å; R85-M87 PolarHBondContact O-N 3.09Å; M87-F89 VanDerWaalsContact C-N 3.26Å; M87-F89 HydrophobicContact CB-CD2 3.75Å; M87-F89 HydrophobicContact CB-CE2 3.64Å; M87-F89 PolarHBondContact O-N 2.86Å; M87-F89 HydrophobicContact SD-CE2 4.34Å
88C94Very high95.7Very high38 Ų3848.7 Ų48.726%0.25726%0.257SS..THydrogen-bonded Turntrans62.722.6175.7-52.30000115.4R22 M23 V24 R85 R86R22-C88 CarbonylContact C-O 3.58Å; R22-C88 WeakPolarHBondContact CA-O 3.47Å; M23-C88 PolarHBondContact N-O 3.2Å; M23-C88 VanDerWaalsContact O-CB 3.31Å; M23-C88 WeakPolarHBondContact O-CB 3.37Å; V24-C88 HydrophobicContact CG1-CB 4.16Å; R85-C88 WeakPolarHBondContact O-CA 3.43Å; R85-C88 PolarHBondContact O-N 2.64Å; R86-C88 VanDerWaalsContact C-N 3.31Å
89F95.9Very high95.7Very high14 Ų1449 Ų496%0.06126%0.259CS..BIsolated β-bridgetrans-67134.6174-73.2-76.8000111.1S19 R22 E38 L84 M87 V93S19-F89 VanDerWaalsContact CB-CE1 3.5Å; R22-F89 HydrophobicContact CG-CD1 3.51Å; R22-F89 HydrophobicContact CG-CE1 3.49Å; R22-F89 VanDerWaalsContact CG-CE1 3.49Å; R22-F89 HydrophobicContact CG-CG 4.06Å; R22-F89 HydrophobicContact CG-CZ 4.03Å; E38-F89 HydrophobicContact CG-CZ 4.46Å; L84-F89 HydrophobicContact CB-CD2 3.94Å; L84-F89 HydrophobicContact CD2-CD2 3.83Å; L84-F89 HydrophobicContact CD2-CE2 3.89Å; L84-F89 HydrophobicContact CG-CD2 4.02Å; L84-F89 HydrophobicContact CG-CE2 4.49Å; L84-F89 PolarHBondContact O-N 3.31Å; M87-F89 VanDerWaalsContact C-N 3.26Å; M87-F89 HydrophobicContact CB-CD2 3.75Å; M87-F89 HydrophobicContact CB-CE2 3.64Å; M87-F89 PolarHBondContact O-N 2.86Å; M87-F89 HydrophobicContact SD-CE2 4.34Å; F89-V93 HydrophobicContact CB-CG1 4.05Å; F89-V93 HydrophobicContact CD1-CG1 3.61Å; F89-V93 HydrophobicContact CD2-CG1 4.39Å; F89-V93 HydrophobicContact CD2-CG2 4.22Å; F89-V93 HydrophobicContact CE1-CG1 4.18Å; F89-V93 HydrophobicContact CG-CG1 3.75Å; F89-V93 HydrophobicContact CG-CG2 4.31Å
90V94.2Very high95.7Very high69 Ų6945.8 Ų45.842%0.41824%0.237SC..SBendtrans-74.1-48.8179.3179.20000110.3L14 L21 M23L14-V90 HydrophobicContact CD2-CG2 3.97Å; L21-V90 HydrophobicContact CD2-CG2 4.31Å; L21-V90 HydrophobicContact CG-CG2 4.17Å; L21-V90 PolarHBondContact O-N 2.88Å; M23-V90 HydrophobicContact CB-CG2 4.03Å
91D94.6Very high95.5Very high100 Ų10047.3 Ų47.354%0.53525%0.247SC..SBendtrans-102.1156.8-178-61-49.8000111.8V93D91-V93 PolarHBondContact O-N 2.8Å
92P96.3Very high95.3Very high66 Ų6642.2 Ų42.243%0.42923%0.229SC..  trans-55.8128.9169.1-25.135000112.1K81 P83K81-P92 HydrophobicContact CB-CB 4.05Å; P83-P92 HydrophobicContact CG-CG 4.33Å
93V96.9Very high95.3Very high12 Ų1242.2 Ų42.27%0.07323%0.229CC..EExtended strand (participates in β ladder)trans-112.3155.5-175.7-69.40000111.9R67 K81 V82 L84 F89 D91 Q95R67-V93 HydrophobicContact CB-CB 3.87Å; R67-V93 HydrophobicContact CB-CG2 3.69Å; R67-V93 HydrophobicContact CG-CB 3.93Å; R67-V93 HydrophobicContact CG-CG1 4.43Å; R67-V93 HydrophobicContact CG-CG2 4.31Å; K81-V93 VanDerWaalsContact CA-O 3.3Å; K81-V93 WeakPolarHBondContact CA-O 3.43Å; V82-V93 PolarHBondContact N-O 2.88Å; V82-V93 PolarHBondContact O-N 2.86Å; L84-V93 HydrophobicContact CB-CG2 3.65Å; L84-V93 HydrophobicContact CD2-CG2 3.8Å; L84-V93 HydrophobicContact CG-CG2 4.41Å; F89-V93 HydrophobicContact CB-CG1 4.05Å; F89-V93 HydrophobicContact CD1-CG1 3.61Å; F89-V93 HydrophobicContact CD2-CG1 4.39Å; F89-V93 HydrophobicContact CD2-CG2 4.22Å; F89-V93 HydrophobicContact CE1-CG1 4.18Å; F89-V93 HydrophobicContact CG-CG1 3.75Å; F89-V93 HydrophobicContact CG-CG2 4.31Å; D91-V93 PolarHBondContact O-N 2.8Å; V93-Q95 PolarHBondContact O-N 3.31Å
94R97.7Very high95.1Very high50 Ų5044.7 Ų44.719%0.18924%0.236CC..EExtended strand (participates in β ladder)trans-64.4128.8-179-177.3-176.3-74.8-101.64.3111.6R67 D75 C78 Q80R67-R94 VanDerWaalsContact CD-O 3.23Å; R67-R94 WeakPolarHBondContact CD-O 3.36Å; R67-R94 PolarHBondContact N-O 2.88Å; D75-R94 IonicContact OD1-CZ 2.82Å; D75-R94 IonicContact OD1-NH1 3.72Å; D75-R94 PolarHBondContact OD1-NH1 2.92Å; D75-R94 IonicContact OD1-NH2 3.27Å; D75-R94 PolarHBondContact OD1-NH2 2.96Å; C78-R94 WeakPolarHBondContact O-CD 3.39Å; C78-R94 WeakPolarHBondContact O-CG 3.38Å; C78-R94 PolarHBondContact O-NH1 3.33Å; Q80-R94 CarbonylContact O-C 3.53Å; Q80-R94 VanDerWaalsContact O-CA 3.26Å; Q80-R94 WeakPolarHBondContact O-CA 3.48Å
95Q98.1Very high94.9Very high0 Ų052.6 Ų52.60%027%0.271CS..EExtended strand (participates in β ladder)trans-133.1153178.1-58-164.133.800112.8C78 Q80 V93 C99 A100 S103C78-Q95 CarbonylContact C-O 3.6Å; C78-Q95 WeakPolarHBondContact CA-O 3.5Å; C78-Q95 PolarHBondContact SG-O 3.25Å; C78-Q95 VanDerWaalsContact SG-O 3.37Å; Q80-Q95 PolarHBondContact O-N 2.65Å; V93-Q95 PolarHBondContact O-N 3.31Å; Q95-C99 HydrophobicContact CB-CB 4.24Å; Q95-C99 PolarHBondContact OE1-O 3.16Å; Q95-A100 HydrophobicContact CB-CB 4.28Å; Q95-S103 PolarHBondContact NE2-OG 3.01Å; Q95-S103 PolarHBondContact OE1-OG 3.34Å; Q95-S103 VanDerWaalsContact OE1-OG 3.14Å
96C98.3Very high94.8Very high5 Ų547.6 Ų47.63%0.03425%0.252CS..  trans-70161.5166.769.50000110.1C66 F73 C77 C78 E98 C99 A100C66-C96 HydrophobicContact CB-CB 4.13Å; C66-C96 PolarHBondContact SG-N 3.13Å; C66-C96 VanDerWaalsContact SG-N 3.37Å; F73-C96 HydrophobicContact CD1-CB 4.28Å; F73-C96 HydrophobicContact CD2-CB 3.92Å; F73-C96 HydrophobicContact CE1-CB 3.96Å; F73-C96 HydrophobicContact CE2-CB 3.56Å; F73-C96 HydrophobicContact CG-CB 4.27Å; F73-C96 HydrophobicContact CZ-CB 3.58Å; C77-C96 WeakPolarHBondContact O-CA 3.27Å; C78-C96 PolarHBondContact SG-N 3.41Å; C96-E98 VanDerWaalsContact C-N 3.29Å; C96-E98 PolarHBondContact O-N 3.22Å; C96-C99 PolarHBondContact O-N 3.32Å; C96-C99 VanDerWaalsContact SG-SG 3.62Å; C96-A100 WeakPolarHBondContact O-CB 3.44Å; C96-A100 PolarHBondContact O-N 2.81Å
97A95.2Very high94.7Very high56 Ų5648 Ų4846%0.46326%0.257SS..Hα-helixtrans-55-43.1-177.100000113C77 A100 L101C77-A97 PolarHBondContact O-N 2.98Å; A97-A100 PolarHBondContact O-N 2.97Å; A97-L101 WeakPolarHBondContact O-CG 3.21Å; A97-L101 PolarHBondContact O-N 3.21Å
98E95.9Very high94.3Very high129 Ų12952.1 Ų52.160%0.60328%0.276SS*.Hα-helixtrans-63.6-48.3179.4-174.2-178.5-17200112.1C96 A100 L101 V102C96-E98 VanDerWaalsContact C-N 3.29Å; C96-E98 PolarHBondContact O-N 3.22Å; E98-A100 VanDerWaalsContact C-N 3.34Å; E98-A100 PolarHBondContact O-N 3.22Å; E98-L101 PolarHBondContact O-N 3.37Å; E98-V102 PolarHBondContact O-N 3.04Å
99C96.8Very high94.2Very high6 Ų650.8 Ų50.84%0.04127%0.265CS..Hα-helixtrans-65.8-37.6179.2-78.30000112.5R68 Q95 C96 L101 V102 S103R68-C99 HydrophobicContact CB-CB 3.86Å; R68-C99 HydrophobicContact CG-CB 4.16Å; Q95-C99 HydrophobicContact CB-CB 4.24Å; Q95-C99 PolarHBondContact OE1-O 3.16Å; C96-C99 PolarHBondContact O-N 3.32Å; C96-C99 VanDerWaalsContact SG-SG 3.62Å; C99-L101 VanDerWaalsContact C-N 3.32Å; C99-L101 PolarHBondContact O-N 2.87Å; C99-V102 PolarHBondContact O-N 2.96Å; C99-V102 VanDerWaalsContact O-N 3.16Å; C99-S103 PolarHBondContact O-N 3.02Å
100A96.3Very high94Very high0 Ų051.4 Ų51.40%027%0.268CS..Hα-helixtrans-59.6-42177.300000112.1Q80 V82 Q95 C96 A97 E98 V102 S103 H104Q80-A100 HydrophobicContact CB-CB 4.4Å; V82-A100 HydrophobicContact CG2-CB 3.84Å; Q95-A100 HydrophobicContact CB-CB 4.28Å; C96-A100 WeakPolarHBondContact O-CB 3.44Å; C96-A100 PolarHBondContact O-N 2.81Å; A97-A100 PolarHBondContact O-N 2.97Å; E98-A100 VanDerWaalsContact C-N 3.34Å; E98-A100 PolarHBondContact O-N 3.22Å; A100-V102 VanDerWaalsContact C-N 3.29Å; A100-V102 PolarHBondContact O-N 2.87Å; A100-S103 PolarHBondContact O-N 3.5Å; A100-H104 PolarHBondContact O-CD2 3.14Å; A100-H104 PolarHBondContact O-N 3.23Å
101L94.1Very high93.8Very high117 Ų11751.3 Ų51.361%0.61327%0.265SS*.Hα-helixtrans-58.8-41.5175.8-68.7172.7000111.9A97 E98 C99 K105A97-L101 WeakPolarHBondContact O-CG 3.21Å; A97-L101 PolarHBondContact O-N 3.21Å; E98-L101 PolarHBondContact O-N 3.37Å; C99-L101 VanDerWaalsContact C-N 3.32Å; C99-L101 PolarHBondContact O-N 2.87Å; L101-K105 WeakPolarHBondContact O-CG 3.4Å; L101-K105 PolarHBondContact O-N 3.36Å
102V93.2Very high93.5Very high49 Ų4952 Ų5230%0.29726%0.263SS..Hα-helixtrans-68.6-47.5177.6-172.80000110.8E98 C99 A100 H104 K105 E106E98-V102 PolarHBondContact O-N 3.04Å; C99-V102 PolarHBondContact O-N 2.96Å; C99-V102 VanDerWaalsContact O-N 3.16Å; A100-V102 VanDerWaalsContact C-N 3.29Å; A100-V102 PolarHBondContact O-N 2.87Å; V102-H104 VanDerWaalsContact C-N 3.27Å; V102-H104 PolarHBondContact O-N 3.24Å; V102-K105 WeakPolarHBondContact O-CB 3.48Å; V102-K105 PolarHBondContact O-N 3.27Å; V102-K105 VanDerWaalsContact O-N 3.11Å; V102-E106 HydrophobicContact CG1-CG 4.38Å; V102-E106 WeakPolarHBondContact O-CG 3.44Å; V102-E106 PolarHBondContact O-N 3.32Å
103S94.4Very high93.4Very high1 Ų150.2 Ų50.21%0.00725%0.249CC..Hα-helixtrans-61.7-32.1178-73.30000113.5R68 L84 Q95 C99 A100 E106 A107R68-S103 WeakPolarHBondContact CD-OG 3.35Å; L84-S103 WeakPolarHBondContact CD1-OG 3.2Å; Q95-S103 PolarHBondContact NE2-OG 3.01Å; Q95-S103 PolarHBondContact OE1-OG 3.34Å; Q95-S103 VanDerWaalsContact OE1-OG 3.14Å; C99-S103 PolarHBondContact O-N 3.02Å; A100-S103 PolarHBondContact O-N 3.5Å; S103-E106 PolarHBondContact O-N 3.25Å; S103-A107 VanDerWaalsContact O-CB 3.32Å; S103-A107 WeakPolarHBondContact O-CB 3.43Å; S103-A107 PolarHBondContact O-N 3.38Å
104H92.9Very high93.3Very high99 Ų9950.7 Ų50.746%0.45825%0.251SS..Hα-helixtrans-66.2-41.7173.2-78.9-57.7000112.6A100 V102 A107 E108A100-H104 PolarHBondContact O-CD2 3.14Å; A100-H104 PolarHBondContact O-N 3.23Å; V102-H104 VanDerWaalsContact C-N 3.27Å; V102-H104 PolarHBondContact O-N 3.24Å; H104-A107 PolarHBondContact O-N 3.01Å; H104-E108 PolarHBondContact O-N 2.92Å
105K89.1Confident93.1Very high167 Ų16755 Ų5573%0.72627%0.271SS*.Hα-helixtrans-63.5-43.5174-68.3176.7-179.2-1790111.2L101 V102 A107 E108L101-K105 WeakPolarHBondContact O-CG 3.4Å; L101-K105 PolarHBondContact O-N 3.36Å; V102-K105 WeakPolarHBondContact O-CB 3.48Å; V102-K105 PolarHBondContact O-N 3.27Å; V102-K105 VanDerWaalsContact O-N 3.11Å; K105-A107 VanDerWaalsContact C-N 3.35Å; K105-A107 PolarHBondContact O-N 3.41Å; K105-E108 PolarHBondContact O-N 2.98Å
106E91.5Very high93Very high11 Ų1156.9 Ų56.95%0.05128%0.283CS..Hα-helixtrans-64.1-38.1176.1-68.6175.6160.100111.8R68 R86 V102 S103 E108 F109 Y110 L245R68-E106 IonicContact NH2-OE1 3.38Å; R68-E106 PolarHBondContact NH2-OE1 3.08Å; R86-E106 WeakPolarHBondContact CD-OE1 3.24Å; R86-E106 WeakPolarHBondContact CD-OE2 3.48Å; R86-E106 IonicContact CZ-OE1 3.48Å; R86-E106 IonicContact NE-OE1 3.14Å; R86-E106 IonicContact NH1-OE1 2.97Å; R86-E106 PolarHBondContact NH1-OE1 2.96Å; V102-E106 HydrophobicContact CG1-CG 4.38Å; V102-E106 WeakPolarHBondContact O-CG 3.44Å; V102-E106 PolarHBondContact O-N 3.32Å; S103-E106 PolarHBondContact O-N 3.25Å; E106-E108 VanDerWaalsContact C-N 3.27Å; E106-E108 PolarHBondContact O-N 3.23Å; E106-F109 WeakPolarHBondContact O-CB 3.46Å; E106-F109 PolarHBondContact O-N 2.65Å; E106-Y110 VanDerWaalsContact O-CD2 3.28Å; E106-Y110 WeakPolarHBondContact O-CD2 3.44Å; E106-Y110 PolarHBondContact O-N 3.13Å; E106-L245 HydrophobicContact CG-CD2 4.14Å
107A89.3Confident93Very high12 Ų1256.7 Ų56.710%0.09928%0.281CS..Hα-helixtrans-59-38.7179.800000112.2S103 H104 K105 F109 Y110 D111S103-A107 VanDerWaalsContact O-CB 3.32Å; S103-A107 WeakPolarHBondContact O-CB 3.43Å; S103-A107 PolarHBondContact O-N 3.38Å; H104-A107 PolarHBondContact O-N 3.01Å; K105-A107 VanDerWaalsContact C-N 3.35Å; K105-A107 PolarHBondContact O-N 3.41Å; A107-F109 VanDerWaalsContact C-N 3.27Å; A107-F109 PolarHBondContact O-N 3.06Å; A107-Y110 PolarHBondContact O-N 3.28Å; A107-D111 WeakPolarHBondContact O-CB 3.31Å; A107-D111 PolarHBondContact O-N 2.9Å
108E86.8Confident93Very high93 Ų9356.5 Ų56.544%0.43527%0.272SS..Hα-helixtrans-59.2-38.8175.9-176.1173.3-155.500112.3H104 K105 E106 K112H104-E108 PolarHBondContact O-N 2.92Å; K105-E108 PolarHBondContact O-N 2.98Å; E106-E108 VanDerWaalsContact C-N 3.27Å; E106-E108 PolarHBondContact O-N 3.23Å; E108-K112 HydrophobicContact CG-CD 3.96Å; E108-K112 WeakPolarHBondContact O-CB 3.49Å; E108-K112 PolarHBondContact O-N 3.13Å; E108-K112 VanDerWaalsContact O-N 3.12Å; E108-K112 IonicContact OE1-NZ 3.79Å; E108-K112 PolarHBondContact OE1-NZ 2.79Å
109F91Very high93Very high10 Ų1054.1 Ų54.14%0.04427%0.27CS..Iπ-helixtrans-61.1-50.7174.9171.6-96.1000111.3F34 E106 A107 D111 Q113 L114 L117 K241 A242 L245F34-F109 HydrophobicContact CD1-CE1 4.38Å; F34-F109 HydrophobicContact CE1-CE1 4.43Å; F34-F109 HydrophobicContact CE1-CZ 4.12Å; E106-F109 WeakPolarHBondContact O-CB 3.46Å; E106-F109 PolarHBondContact O-N 2.65Å; A107-F109 VanDerWaalsContact C-N 3.27Å; A107-F109 PolarHBondContact O-N 3.06Å; F109-D111 PolarHBondContact O-N 3.17Å; F109-Q113 HydrophobicContact CD2-CB 3.58Å; F109-Q113 HydrophobicContact CD2-CG 3.99Å; F109-Q113 HydrophobicContact CE2-CB 3.91Å; F109-Q113 HydrophobicContact CG-CB 4.28Å; F109-Q113 WeakPolarHBondContact O-CA 3.42Å; F109-Q113 VanDerWaalsContact O-CB 3.3Å; F109-Q113 WeakPolarHBondContact O-CB 3.44Å; F109-Q113 PolarHBondContact O-N 3Å; F109-L114 PolarHBondContact O-N 2.66Å; F109-L117 HydrophobicContact CE2-CD1 4.18Å; F109-L117 HydrophobicContact CZ-CD1 4.13Å; F109-K241 HydrophobicContact CD2-CB 4.32Å; F109-A242 HydrophobicContact CE2-CB 3.65Å; F109-A242 HydrophobicContact CZ-CB 3.67Å; F109-L245 HydrophobicContact CB-CD1 3.7Å; F109-L245 HydrophobicContact CD1-CD1 3.31Å; F109-L245 HydrophobicContact CD2-CD1 3.58Å; F109-L245 HydrophobicContact CE1-CD1 3.76Å; F109-L245 HydrophobicContact CE2-CD1 4.01Å; F109-L245 HydrophobicContact CG-CD1 3.22Å; F109-L245 HydrophobicContact CZ-CD1 4.08Å
110Y91.1Very high92.9Very high28 Ų2854 Ų5411%0.1127%0.269CS..Iπ-helixtrans-67.1-35.5-178.4-76.2-79.5000113.5F34 R85 R86 E106 A107 L114F34-Y110 WeakPolarHBondContact CB-OH 3.05Å; R85-Y110 HydrophobicContact CB-CD1 4.23Å; R85-Y110 HydrophobicContact CB-CD2 3.94Å; R85-Y110 HydrophobicContact CB-CE1 4.35Å; R85-Y110 HydrophobicContact CB-CE2 4.08Å; R85-Y110 HydrophobicContact CB-CG 4.05Å; R85-Y110 VanDerWaalsContact CD-CG 3.45Å; R85-Y110 HydrophobicContact CG-CG 4.41Å; R86-Y110 HydrophobicContact CG-CE2 3.8Å; R86-Y110 VanDerWaalsContact CG-OH 3.28Å; R86-Y110 WeakPolarHBondContact CG-OH 3.3Å; E106-Y110 VanDerWaalsContact O-CD2 3.28Å; E106-Y110 WeakPolarHBondContact O-CD2 3.44Å; E106-Y110 PolarHBondContact O-N 3.13Å; A107-Y110 PolarHBondContact O-N 3.28Å; Y110-L114 HydrophobicContact CD1-CD2 3.71Å; Y110-L114 HydrophobicContact CE1-CD2 4.25Å
111D89.4Confident92.9Very high67 Ų6754.2 Ų54.236%0.35827%0.271SS..Iπ-helixtrans-79.6-32.5-174.1-68.2-17000112.6R85 A107 F109 K115R85-D111 IonicContact CZ-OD1 3.92Å; R85-D111 IonicContact NE-OD1 2.85Å; R85-D111 PolarHBondContact NE-OD1 3.01Å; R85-D111 IonicContact NH2-OD1 2.74Å; R85-D111 PolarHBondContact NH2-OD1 2.83Å; A107-D111 WeakPolarHBondContact O-CB 3.31Å; A107-D111 PolarHBondContact O-N 2.9Å; F109-D111 PolarHBondContact O-N 3.17Å; D111-K115 WeakPolarHBondContact O-CD 3.14Å; D111-K115 WeakPolarHBondContact O-CE 3.24Å; D111-K115 PolarHBondContact O-NZ 3.45Å
112K89.8Confident93Very high115 Ų11551.8 Ų51.850%0.526%0.261SS..Iπ-helixtrans-111.2-59.7-176.8-57.8-179.4-171.41690112.6E108E108-K112 HydrophobicContact CG-CD 3.96Å; E108-K112 WeakPolarHBondContact O-CB 3.49Å; E108-K112 PolarHBondContact O-N 3.13Å; E108-K112 VanDerWaalsContact O-N 3.12Å; E108-K112 IonicContact OE1-NZ 3.79Å; E108-K112 PolarHBondContact OE1-NZ 2.79Å
113Q93.8Very high93.1Very high28 Ų2849.5 Ų49.513%0.13125%0.247CC..Iπ-helixtrans-72.1-41.2-167.2-51.6-58.2-52.800112.1F109 K115 V116 L117 A238 K241F109-Q113 HydrophobicContact CD2-CB 3.58Å; F109-Q113 HydrophobicContact CD2-CG 3.99Å; F109-Q113 HydrophobicContact CE2-CB 3.91Å; F109-Q113 HydrophobicContact CG-CB 4.28Å; F109-Q113 WeakPolarHBondContact O-CA 3.42Å; F109-Q113 VanDerWaalsContact O-CB 3.3Å; F109-Q113 WeakPolarHBondContact O-CB 3.44Å; F109-Q113 PolarHBondContact O-N 3Å; Q113-K115 VanDerWaalsContact C-N 3.3Å; Q113-K115 PolarHBondContact O-N 3.5Å; Q113-V116 WeakPolarHBondContact O-CB 3.41Å; Q113-V116 PolarHBondContact O-N 3.22Å; Q113-V116 VanDerWaalsContact O-N 3.16Å; Q113-L117 WeakPolarHBondContact O-CG 3.13Å; Q113-L117 PolarHBondContact O-N 3.35Å; Q113-A238 HydrophobicContact CB-CB 3.94Å; Q113-K241 HydrophobicContact CG-CD 4.13Å
114L94.6Very high93.1Very high21 Ų2152 Ų5211%0.1126%0.26CS..Hα-helixtrans-61-39.1-180178.859.4000112.2F109 Y110 V116 L117 L118 Q144F109-L114 PolarHBondContact O-N 2.66Å; Y110-L114 HydrophobicContact CD1-CD2 3.71Å; Y110-L114 HydrophobicContact CE1-CD2 4.25Å; L114-V116 VanDerWaalsContact C-N 3.33Å; L114-V116 PolarHBondContact O-N 3.38Å; L114-L117 PolarHBondContact O-N 2.97Å; L114-L118 HydrophobicContact CD1-CD1 4.12Å; L114-L118 HydrophobicContact CD1-CD2 4.44Å; L114-L118 HydrophobicContact CD1-CG 4.01Å; L114-L118 HydrophobicContact CG-CD1 3.97Å; L114-L118 HydrophobicContact CG-CG 4.31Å; L114-L118 VanDerWaalsContact O-CG 3.28Å; L114-L118 WeakPolarHBondContact O-CG 3.13Å; L114-L118 PolarHBondContact O-N 3.45Å; L114-Q144 HydrophobicContact CD1-CG 3.55Å
115K94.6Very high93.2Very high141 Ų14147.3 Ų47.361%0.61324%0.238SC*.Hα-helixtrans-62.8-40.6177.1-65.5179.7-175.2162.60111.9D111 Q113 L117 L118 S119D111-K115 WeakPolarHBondContact O-CD 3.14Å; D111-K115 WeakPolarHBondContact O-CE 3.24Å; D111-K115 PolarHBondContact O-NZ 3.45Å; Q113-K115 VanDerWaalsContact C-N 3.3Å; Q113-K115 PolarHBondContact O-N 3.5Å; K115-L117 VanDerWaalsContact C-N 3.34Å; K115-L118 PolarHBondContact O-N 3.11Å; K115-S119 WeakPolarHBondContact O-CB 3.39Å; K115-S119 PolarHBondContact O-N 3.47Å
116V95.6Very high93.5Very high40 Ų4040.7 Ų40.724%0.24221%0.212CC..Hα-helixtrans-61.6-45.7175.1177.60000110.2Q113 L114 L118 S119 G120 A234 W235 A238Q113-V116 WeakPolarHBondContact O-CB 3.41Å; Q113-V116 PolarHBondContact O-N 3.22Å; Q113-V116 VanDerWaalsContact O-N 3.16Å; L114-V116 VanDerWaalsContact C-N 3.33Å; L114-V116 PolarHBondContact O-N 3.38Å; V116-L118 PolarHBondContact O-N 3.3Å; V116-S119 PolarHBondContact O-N 3.23Å; V116-G120 PolarHBondContact O-N 3.29Å; V116-A234 HydrophobicContact CG1-CB 4.13Å; V116-W235 HydrophobicContact CG1-CB 4.04Å; V116-A238 HydrophobicContact CB-CB 4.48Å; V116-A238 HydrophobicContact CG1-CB 4.44Å
117L97.3Very high93.5Very high0 Ų042.4 Ų42.40%022%0.219CC..Hα-helixtrans-62.4-41.8-179.8-72.3170.6000113.5F109 Q113 L114 K115 G120 R139 L140 W235 A238 M239 A242F109-L117 HydrophobicContact CE2-CD1 4.18Å; F109-L117 HydrophobicContact CZ-CD1 4.13Å; Q113-L117 WeakPolarHBondContact O-CG 3.13Å; Q113-L117 PolarHBondContact O-N 3.35Å; L114-L117 PolarHBondContact O-N 2.97Å; K115-L117 VanDerWaalsContact C-N 3.34Å; L117-G120 PolarHBondContact O-N 3.46Å; L117-R139 WeakPolarHBondContact O-CA 3.1Å; L117-L140 HydrophobicContact CB-CB 4.41Å; L117-L140 HydrophobicContact CB-CD1 3.84Å; L117-L140 HydrophobicContact CB-CG 3.93Å; L117-L140 HydrophobicContact CD1-CD1 3.86Å; L117-L140 HydrophobicContact CD2-CD1 4.44Å; L117-L140 HydrophobicContact CD2-CG 4.48Å; L117-L140 HydrophobicContact CG-CD1 4.26Å; L117-L140 PolarHBondContact O-N 3.12Å; L117-W235 HydrophobicContact CD2-CD2 4.1Å; L117-W235 HydrophobicContact CD2-CG 4.38Å; L117-W235 HydrophobicContact CD2-CZ2 4.09Å; L117-W235 PolarHBondContact O-NE1 3.23Å; L117-A238 HydrophobicContact CD1-CB 4.21Å; L117-A238 HydrophobicContact CD2-CB 3.95Å; L117-A238 HydrophobicContact CG-CB 3.79Å; L117-M239 HydrophobicContact CD2-CB 3.78Å; L117-M239 HydrophobicContact CD2-CG 4.49Å; L117-M239 HydrophobicContact CD2-SD 4.03Å; L117-A242 HydrophobicContact CD1-CB 3.91Å
118L96.3Very high93.3Very high53 Ų5343.7 Ų43.728%0.27723%0.234SC..Hα-helixtrans-71.7-36.8178-66.7173.5000112.5L114 K115 V116 G120 L140 S141L114-L118 HydrophobicContact CD1-CD1 4.12Å; L114-L118 HydrophobicContact CD1-CD2 4.44Å; L114-L118 HydrophobicContact CD1-CG 4.01Å; L114-L118 HydrophobicContact CG-CD1 3.97Å; L114-L118 HydrophobicContact CG-CG 4.31Å; L114-L118 VanDerWaalsContact O-CG 3.28Å; L114-L118 WeakPolarHBondContact O-CG 3.13Å; L114-L118 PolarHBondContact O-N 3.45Å; K115-L118 PolarHBondContact O-N 3.11Å; V116-L118 PolarHBondContact O-N 3.3Å; L118-G120 PolarHBondContact O-N 2.95Å; L118-L140 HydrophobicContact CD2-CB 4.2Å; L118-L140 WeakPolarHBondContact CD2-O 3.45Å; L118-S141 WeakPolarHBondContact CD2-O 3.28Å
119S95.3Very high92.7Very high79 Ų7946.8 Ų46.855%0.55225%0.253SS*.Hα-helixtrans-64-28.7176.6-176.60000112.5K115 V116 Q231K115-S119 WeakPolarHBondContact O-CB 3.39Å; K115-S119 PolarHBondContact O-N 3.47Å; V116-S119 PolarHBondContact O-N 3.23Å; S119-Q231 PolarHBondContact OG-NE2 3.37Å
120G95.4Very high92.3Very high2 Ų249.1 Ų49.12%0.02127%0.271CS..  trans76.8170-176.600000114.5V116 L117 L118 C138 Q231V116-G120 PolarHBondContact O-N 3.29Å; L117-G120 PolarHBondContact O-N 3.46Å; L118-G120 PolarHBondContact O-N 2.95Å; G120-C138 CarbonylContact C-O 3.58Å; G120-C138 WeakPolarHBondContact CA-O 3.47Å; G120-Q231 PolarHBondContact O-NE2 3.46Å
121A96Very high91.6Very high5 Ų557 Ų574%0.04131%0.309CS..EExtended strand (participates in β ladder)trans-150.4156.7171.900000110.5F123 C138 Q231 A232 W235A121-F123 HydrophobicContact CB-CD2 4.46Å; A121-F123 HydrophobicContact CB-CE2 3.64Å; A121-F123 HydrophobicContact CB-CZ 3.87Å; A121-F123 VanDerWaalsContact O-CD2 3.29Å; A121-F123 WeakPolarHBondContact O-CD2 3.27Å; A121-F123 WeakPolarHBondContact O-CE2 3.46Å; A121-C138 PolarHBondContact N-O 3.32Å; A121-C138 PolarHBondContact O-N 2.88Å; A121-Q231 HydrophobicContact CB-CG 4.21Å; A121-A232 HydrophobicContact CB-CB 4.36Å; A121-W235 HydrophobicContact CB-CB 3.78Å; A121-W235 HydrophobicContact CB-CG 3.97Å
122T95.1Very high91.5Very high67 Ų6762.1 Ų62.141%0.41133%0.328SS..EExtended strand (participates in β ladder)trans-86.5134.2179.4-50.60000111T135 M136 V222T122-T135 HydrophobicContact CG2-CG2 3.54Å; T122-M136 WeakPolarHBondContact CA-O 3.15Å; T122-V222 HydrophobicContact CG2-CG2 4.04Å
123F95.5Very high91.6Very high0 Ų059.5 Ų59.50%032%0.323CS..EExtended strand (participates in β ladder)trans-137.3154.8178.4-62.4-80.4000111A121 V125 T135 M136 C138 L219 T220 A232 W235 L236A121-F123 HydrophobicContact CB-CD2 4.46Å; A121-F123 HydrophobicContact CB-CE2 3.64Å; A121-F123 HydrophobicContact CB-CZ 3.87Å; A121-F123 VanDerWaalsContact O-CD2 3.29Å; A121-F123 WeakPolarHBondContact O-CD2 3.27Å; A121-F123 WeakPolarHBondContact O-CE2 3.46Å; F123-V125 HydrophobicContact CB-CG2 4.22Å; F123-T135 WeakPolarHBondContact O-CA 3.45Å; F123-M136 PolarHBondContact N-O 2.93Å; F123-M136 PolarHBondContact O-N 3.38Å; F123-C138 HydrophobicContact CD2-CB 3.67Å; F123-C138 HydrophobicContact CE2-CB 3.97Å; F123-L219 HydrophobicContact CB-CB 4.27Å; F123-L219 HydrophobicContact CD1-CB 4.19Å; F123-L219 HydrophobicContact CG-CB 4.17Å; F123-T220 CarbonylContact C-O 3.58Å; F123-T220 WeakPolarHBondContact CA-O 3.42Å; F123-A232 HydrophobicContact CD1-CB 4.37Å; F123-A232 HydrophobicContact CE1-CB 3.68Å; F123-A232 HydrophobicContact CZ-CB 4.03Å; F123-W235 AromaticContact CE2-CD2 3.91Å; F123-W235 HydrophobicContact CE2-CD2 3.91Å; F123-W235 AromaticContact CE2-CE3 3.67Å; F123-W235 HydrophobicContact CE2-CE3 3.67Å; F123-W235 HydrophobicContact CE2-CG 4.29Å; F123-W235 HydrophobicContact CE2-CZ3 4.22Å; F123-W235 HydrophobicContact CZ-CB 4.14Å; F123-W235 HydrophobicContact CZ-CD2 4.08Å; F123-W235 AromaticContact CZ-CE3 3.64Å; F123-W235 HydrophobicContact CZ-CE3 3.64Å; F123-W235 HydrophobicContact CZ-CG 4.29Å; F123-W235 HydrophobicContact CZ-CZ3 4.43Å; F123-L236 HydrophobicContact CD1-CD2 4.37Å; F123-L236 HydrophobicContact CE1-CD1 3.98Å; F123-L236 HydrophobicContact CE1-CD2 3.59Å; F123-L236 HydrophobicContact CE1-CG 3.62Å; F123-L236 HydrophobicContact CZ-CD2 3.92Å; F123-L236 HydrophobicContact CZ-CG 3.93Å
124L94.5Very high91.6Very high53 Ų5360.3 Ų60.328%0.27733%0.327SS..EExtended strand (participates in β ladder)trans-80.8118.5157.4-69176.8000108.2P133 T135 L219 T220 V222L124-P133 HydrophobicContact CB-CB 4.1Å; L124-P133 HydrophobicContact CD2-CB 4.43Å; L124-T135 WeakPolarHBondContact CD2-OG1 3.27Å; L124-L219 CarbonylContact O-C 3.54Å; L124-T220 PolarHBondContact N-O 3.3Å; L124-T220 PolarHBondContact O-N 3.42Å; L124-V222 HydrophobicContact CG-CG2 4.28Å
125V95.4Very high91.5Very high1 Ų163.3 Ų63.31%0.00635%0.346CS..EExtended strand (participates in β ladder)trans-108.5130-173.9-176.60000109.8F123 F127 P133 E134 M136 L217 K218 L219F123-V125 HydrophobicContact CB-CG2 4.22Å; V125-F127 HydrophobicContact CG1-CD2 4.35Å; V125-F127 HydrophobicContact CG1-CE2 3.85Å; V125-F127 HydrophobicContact CG1-CZ 3.99Å; V125-P133 CarbonylContact O-C 3.48Å; V125-P133 WeakPolarHBondContact O-CA 3.29Å; V125-E134 PolarHBondContact N-O 3.35Å; V125-E134 PolarHBondContact O-N 3.49Å; V125-M136 HydrophobicContact CB-CB 4.48Å; V125-M136 HydrophobicContact CB-CG 4.01Å; V125-M136 HydrophobicContact CB-SD 3.74Å; V125-M136 HydrophobicContact CG1-SD 3.91Å; V125-M136 HydrophobicContact CG2-CB 3.73Å; V125-M136 HydrophobicContact CG2-CG 3.81Å; V125-M136 HydrophobicContact CG2-SD 3.88Å; V125-L217 HydrophobicContact CG1-CD1 3.3Å; V125-L217 HydrophobicContact CG1-CD2 4.4Å; V125-L217 HydrophobicContact CG1-CG 4.02Å; V125-K218 CarbonylContact C-O 3.59Å; V125-K218 WeakPolarHBondContact CA-O 3.32Å; V125-L219 HydrophobicContact CB-CD2 4.45Å; V125-L219 HydrophobicContact CG1-CD2 4.17Å; V125-L219 HydrophobicContact CG2-CD2 3.71Å
126T94.6Very high91.6Very high28 Ų2856.7 Ų56.717%0.17232%0.317CS..EExtended strand (participates in β ladder)trans-124.1123176.2-50.30000109.5S130 L217 K218T126-S130 WeakPolarHBondContact CG2-O 3.44Å; T126-L217 WeakPolarHBondContact O-CA 3.48Å; T126-K218 PolarHBondContact N-O 2.86Å; T126-K218 PolarHBondContact O-N 2.99Å
127F91.9Very high91.6Very high47 Ų4758.7 Ų58.721%0.20633%0.325CS..EExtended strand (participates in β ladder)trans-94.7127.1176.7-65.1-86.9000110.7V125 N129 S130 M136 L149 Y155 L217V125-F127 HydrophobicContact CG1-CD2 4.35Å; V125-F127 HydrophobicContact CG1-CE2 3.85Å; V125-F127 HydrophobicContact CG1-CZ 3.99Å; F127-N129 PolarHBondContact O-N 3.44Å; F127-S130 WeakPolarHBondContact O-CB 3.11Å; F127-S130 PolarHBondContact O-N 3.26Å; F127-M136 HydrophobicContact CE2-SD 4.09Å; F127-M136 HydrophobicContact CZ-SD 4.25Å; F127-L149 HydrophobicContact CE1-CD1 3.91Å; F127-L149 HydrophobicContact CZ-CD1 3.75Å; F127-Y155 HydrophobicContact CE2-CE2 4.18Å; F127-Y155 HydrophobicContact CZ-CD1 4.44Å; F127-Y155 AromaticContact CZ-CD2 3.95Å; F127-Y155 HydrophobicContact CZ-CD2 3.95Å; F127-Y155 HydrophobicContact CZ-CE2 4.04Å; F127-Y155 HydrophobicContact CZ-CG 4.14Å; F127-L217 HydrophobicContact CD1-CD1 3.31Å; F127-L217 HydrophobicContact CD2-CD1 4.36Å; F127-L217 HydrophobicContact CE1-CD1 3.28Å; F127-L217 HydrophobicContact CE2-CD1 4.34Å; F127-L217 HydrophobicContact CG-CD1 3.88Å; F127-L217 HydrophobicContact CZ-CD1 3.83Å
128G85.4Confident91.6Very high39 Ų3958.7 Ų58.740%0.40233%0.325SS..THydrogen-bonded Turntrans51.1-126.8177.200000112.9Q216G128-Q216 PolarHBondContact N-O 2.78Å
129N74.3Confident91.7Very high158 Ų15861 Ų6185%0.84533%0.331SS*.THydrogen-bonded Turntrans-95.115.7178-62.9-18.7000113.2F127 E131F127-N129 PolarHBondContact O-N 3.44Å; N129-E131 PolarHBondContact O-N 3.43Å
130S82.9Confident91.8Very high59 Ų5957.5 Ų57.541%0.41331%0.305SS..  trans-58.8128.4175.2-178.90000109.7T126 F127 K132T126-S130 WeakPolarHBondContact CG2-O 3.44Å; F127-S130 WeakPolarHBondContact O-CB 3.11Å; F127-S130 PolarHBondContact O-N 3.26Å; S130-K132 VanDerWaalsContact C-N 3.3Å; S130-K132 PolarHBondContact OG-N 3.06Å; S130-K132 PolarHBondContact OG-O 3.46Å
131E76.4Confident91.8Very high195 Ų19557.7 Ų57.791%0.91131%0.306SS*.SBendtrans-78.9-19.3177.3-64.4-173.4163.400112.3N129 P133N129-E131 PolarHBondContact O-N 3.43Å; E131-P133 WeakPolarHBondContact O-CD 3.28Å
132K87.8Confident91.6Very high173 Ų17362.1 Ų62.175%0.75233%0.33SS*.SBendtrans-99.5114.9-176.7-166.5179.1179.2-172.30110.6S130S130-K132 VanDerWaalsContact C-N 3.3Å; S130-K132 PolarHBondContact OG-N 3.06Å; S130-K132 PolarHBondContact OG-O 3.46Å
133P91.4Very high91.4Very high60 Ų6059.5 Ų59.539%0.3931%0.313SS..  trans-73.7147.7169.929.7-32.6000111.2L124 V125 E131L124-P133 HydrophobicContact CB-CB 4.1Å; L124-P133 HydrophobicContact CD2-CB 4.43Å; V125-P133 CarbonylContact O-C 3.48Å; V125-P133 WeakPolarHBondContact O-CA 3.29Å; E131-P133 WeakPolarHBondContact O-CD 3.28Å
134E92.7Very high91.3Very high46 Ų4660.6 Ų60.622%0.21532%0.318CS..EExtended strand (participates in β ladder)trans-112.3137172.7-172.6-178.7159.200109.8V125 M136 D152V125-E134 PolarHBondContact N-O 3.35Å; V125-E134 PolarHBondContact O-N 3.49Å; E134-M136 HydrophobicContact CB-CG 4.24Å; E134-M136 HydrophobicContact CG-CG 3.99Å; E134-M136 PolarHBondContact O-N 3.18Å; E134-D152 PolarHBondContact OE1-N 3.46Å
135T94.1Very high91.3Very high84 Ų8460.4 Ų60.452%0.51531%0.314SS..EExtended strand (participates in β ladder)trans-78.6118.1174.4-58.30000109.4T122 F123 L124T122-T135 HydrophobicContact CG2-CG2 3.54Å; F123-T135 WeakPolarHBondContact O-CA 3.45Å; L124-T135 WeakPolarHBondContact CD2-OG1 3.27Å
136M95.4Very high91.3Very high2 Ų261.4 Ų61.41%0.0132%0.318CS..EExtended strand (participates in β ladder)trans-134.7151.8-177.4-49-173.681.800112.1T122 F123 V125 F127 E134 L149 D150 S153 Y155T122-M136 WeakPolarHBondContact CA-O 3.15Å; F123-M136 PolarHBondContact N-O 2.93Å; F123-M136 PolarHBondContact O-N 3.38Å; V125-M136 HydrophobicContact CB-CB 4.48Å; V125-M136 HydrophobicContact CB-CG 4.01Å; V125-M136 HydrophobicContact CB-SD 3.74Å; V125-M136 HydrophobicContact CG1-SD 3.91Å; V125-M136 HydrophobicContact CG2-CB 3.73Å; V125-M136 HydrophobicContact CG2-CG 3.81Å; V125-M136 HydrophobicContact CG2-SD 3.88Å; F127-M136 HydrophobicContact CE2-SD 4.09Å; F127-M136 HydrophobicContact CZ-SD 4.25Å; E134-M136 HydrophobicContact CB-CG 4.24Å; E134-M136 HydrophobicContact CG-CG 3.99Å; E134-M136 PolarHBondContact O-N 3.18Å; M136-L149 HydrophobicContact CE-CB 3.66Å; M136-L149 WeakPolarHBondContact CE-O 3.48Å; M136-L149 HydrophobicContact SD-CB 3.94Å; M136-D150 CarbonylContact C-O 3.52Å; M136-D150 WeakPolarHBondContact CA-O 3.48Å; M136-S153 WeakPolarHBondContact CE-O 3.46Å; M136-Y155 HydrophobicContact CE-CD2 3.77Å; M136-Y155 HydrophobicContact CE-CE2 4.12Å
137I96.3Very high91.4Very high81 Ų8160.1 Ų60.142%0.41531%0.309SS..EExtended strand (participates in β ladder)trans-88.7120.2168.2-61.9170.5000108.2D150I137-D150 HydrophobicContact CB-CB 4.35Å; I137-D150 PolarHBondContact N-O 2.79Å; I137-D150 PolarHBondContact O-N 3.04Å
138C97.6Very high91.6Very high0 Ų059.4 Ų59.40%031%0.306CS..EExtended strand (participates in β ladder)trans-105.7126.7179.2-56.20000110.1G120 A121 F123 L147 F148 L149 W235G120-C138 CarbonylContact C-O 3.58Å; G120-C138 WeakPolarHBondContact CA-O 3.47Å; A121-C138 PolarHBondContact N-O 3.32Å; A121-C138 PolarHBondContact O-N 2.88Å; F123-C138 HydrophobicContact CD2-CB 3.67Å; F123-C138 HydrophobicContact CE2-CB 3.97Å; C138-L147 HydrophobicContact CB-CD1 4.48Å; C138-F148 VanDerWaalsContact CA-O 3.31Å; C138-F148 WeakPolarHBondContact CA-O 3.41Å; C138-L149 HydrophobicContact CB-CD2 4.02Å; C138-L149 WeakPolarHBondContact SG-CD2 3.23Å; C138-W235 HydrophobicContact CB-CH2 4.27Å; C138-W235 HydrophobicContact CB-CZ2 4.2Å; C138-W235 PolarHBondContact O-NE1 3.3Å
139R97.7Very high92.2Very high103 Ų10357.6 Ų57.639%0.38929%0.287SS..EExtended strand (participates in β ladder)trans-151.3159179.964.2-178.7167.3162.1-1.4112.9L117 F148 D150L117-R139 WeakPolarHBondContact O-CA 3.1Å; R139-F148 HydrophobicContact CG-CB 4.07Å; R139-F148 HydrophobicContact CG-CD2 4.33Å; R139-F148 PolarHBondContact N-O 3.43Å; R139-F148 PolarHBondContact O-N 3.42Å; R139-D150 IonicContact CZ-OD2 3.92Å; R139-D150 IonicContact NE-OD2 3.5Å; R139-D150 PolarHBondContact NE-OD2 3.49Å; R139-D150 VanDerWaalsContact NE-OD2 3.14Å; R139-D150 IonicContact NH2-OD2 3.96Å; R139-D150 PolarHBondContact NH2-OD2 2.89Å
140L97.1Very high93.2Very high4 Ų452 Ų522%0.02126%0.258CS..EExtended strand (participates in β ladder)trans-84.4148.4169.5-64.4-167000112.2L117 L118 Q144 Y146 L147 I159 M239L117-L140 HydrophobicContact CB-CB 4.41Å; L117-L140 HydrophobicContact CB-CD1 3.84Å; L117-L140 HydrophobicContact CB-CG 3.93Å; L117-L140 HydrophobicContact CD1-CD1 3.86Å; L117-L140 HydrophobicContact CD2-CD1 4.44Å; L117-L140 HydrophobicContact CD2-CG 4.48Å; L117-L140 HydrophobicContact CG-CD1 4.26Å; L117-L140 PolarHBondContact O-N 3.12Å; L118-L140 HydrophobicContact CD2-CB 4.2Å; L118-L140 WeakPolarHBondContact CD2-O 3.45Å; L140-Q144 HydrophobicContact CD1-CB 4.48Å; L140-Y146 CarbonylContact C-O 3.6Å; L140-Y146 WeakPolarHBondContact CA-O 3.43Å; L140-L147 HydrophobicContact CD2-CB 4.15Å; L140-L147 HydrophobicContact CD2-CD1 4.06Å; L140-I159 HydrophobicContact CD1-CD1 4.05Å; L140-I159 HydrophobicContact CD2-CD1 3.52Å; L140-I159 HydrophobicContact CD2-CG1 4.44Å; L140-I159 HydrophobicContact CG-CD1 4.41Å; L140-M239 HydrophobicContact CD2-CE 4.44Å; L140-M239 HydrophobicContact CD2-SD 4.24Å
141S95.3Very high93.7Very high6 Ų651 Ų514%0.04226%0.256CS..  trans-65.3160.2169.468.90000112L118 N143 Q144 R145 Y146L118-S141 WeakPolarHBondContact CD2-O 3.28Å; S141-N143 PolarHBondContact O-N 3.34Å; S141-N143 PolarHBondContact OG-OD1 3.28Å; S141-Q144 VanDerWaalsContact O-CA 3.29Å; S141-Q144 WeakPolarHBondContact O-CA 3.48Å; S141-Q144 PolarHBondContact O-N 3.04Å; S141-Q144 PolarHBondContact OG-N 3.16Å; S141-R145 PolarHBondContact OG-N 2.98Å; S141-Y146 PolarHBondContact N-O 3.47Å; S141-Y146 PolarHBondContact OG-N 3.05Å
142N92Very high94.3Very high99 Ų9949.3 Ų49.353%0.52925%0.254SS..THydrogen-bonded Turntrans-60.8-29.7-179.3-69.8-27.9000114.3D10 Q144D10-N142 WeakPolarHBondContact OD1-CB 3.37Å; D10-N142 WeakPolarHBondContact OD2-CB 3.2Å; D10-N142 PolarHBondContact OD2-ND2 2.82Å; N142-Q144 VanDerWaalsContact C-N 3.35Å; N142-Q144 PolarHBondContact O-NE2 3.07Å
143N91.5Very high94.4Very high12 Ų1243.9 Ų43.96%0.06424%0.237CC..THydrogen-bonded Turntrans-93.24.9172.465.25.8000112.9R9 S32 S141 R145R9-N143 PolarHBondContact O-ND2 2.78Å; S32-N143 VanDerWaalsContact CA-O 3.27Å; S32-N143 WeakPolarHBondContact CA-O 3.44Å; S141-N143 PolarHBondContact O-N 3.34Å; S141-N143 PolarHBondContact OG-OD1 3.28Å; N143-R145 HydrophobicContact CB-CG 4.49Å; N143-R145 PolarHBondContact O-N 2.99Å; N143-R145 VanDerWaalsContact O-N 3.13Å; N143-R145 WeakPolarHBondContact OD1-CB 3.46Å; N143-R145 PolarHBondContact OD1-N 3.19Å
144Q93.6Very high94.5Very high22 Ų2245.8 Ų45.810%0.10324%0.241CC..SBendtrans54.323.7-178.6-47.580.341.100115S32 P33 F34 L114 L140 S141 N142 I159S32-Q144 PolarHBondContact OG-OE1 2.79Å; P33-Q144 WeakPolarHBondContact CD-O 3.33Å; P33-Q144 WeakPolarHBondContact CG-O 3.49Å; F34-Q144 HydrophobicContact CD2-CB 3.76Å; F34-Q144 HydrophobicContact CD2-CG 4.35Å; F34-Q144 HydrophobicContact CE2-CB 3.57Å; F34-Q144 HydrophobicContact CE2-CG 4.3Å; L114-Q144 HydrophobicContact CD1-CG 3.55Å; L140-Q144 HydrophobicContact CD1-CB 4.48Å; S141-Q144 VanDerWaalsContact O-CA 3.29Å; S141-Q144 WeakPolarHBondContact O-CA 3.48Å; S141-Q144 PolarHBondContact O-N 3.04Å; S141-Q144 PolarHBondContact OG-N 3.16Å; N142-Q144 VanDerWaalsContact C-N 3.35Å; N142-Q144 PolarHBondContact O-NE2 3.07Å; Q144-I159 WeakPolarHBondContact O-CD1 3.38Å
145R93Very high94.6Very high49 Ų4948.1 Ų48.119%0.18525%0.248CC..  trans-83.9-28176.9-68.4-158.678100.1-3.5113.5A29 G31 S141 N143 I159A29-R145 WeakPolarHBondContact O-CD 3.3Å; A29-R145 PolarHBondContact O-NE 3.11Å; A29-R145 VanDerWaalsContact O-NE 3.13Å; A29-R145 PolarHBondContact O-NH1 3.32Å; G31-R145 WeakPolarHBondContact O-CD 3.38Å; G31-R145 WeakPolarHBondContact O-CG 3.37Å; G31-R145 PolarHBondContact O-NH1 3.49Å; S141-R145 PolarHBondContact OG-N 2.98Å; N143-R145 HydrophobicContact CB-CG 4.49Å; N143-R145 PolarHBondContact O-N 2.99Å; N143-R145 VanDerWaalsContact O-N 3.13Å; N143-R145 WeakPolarHBondContact OD1-CB 3.46Å; N143-R145 PolarHBondContact OD1-N 3.19Å; R145-I159 PolarHBondContact O-N 2.91Å
146Y95.3Very high94.6Very high23 Ų2348.2 Ų48.29%0.0924%0.243CC..EExtended strand (participates in β ladder)trans-122.8141.5-173.8-59.1-91.1000110.4L140 S141 F148 E156 I157 E158L140-Y146 CarbonylContact C-O 3.6Å; L140-Y146 WeakPolarHBondContact CA-O 3.43Å; S141-Y146 PolarHBondContact N-O 3.47Å; S141-Y146 PolarHBondContact OG-N 3.05Å; Y146-F148 AromaticContact CG-CE1 3.99Å; Y146-F148 HydrophobicContact CG-CE1 3.99Å; Y146-E156 HydrophobicContact CD1-CB 4.08Å; Y146-I157 CarbonylContact C-O 3.37Å; Y146-I157 WeakPolarHBondContact CA-O 3.49Å; Y146-E158 HydrophobicContact CD1-CB 4.48Å; Y146-E158 HydrophobicContact CD1-CG 3.5Å; Y146-E158 HydrophobicContact CE1-CB 4.4Å; Y146-E158 HydrophobicContact CE1-CG 3.08Å; Y146-E158 VanDerWaalsContact CE1-OE1 3.27Å; Y146-E158 WeakPolarHBondContact CE1-OE1 3.28Å; Y146-E158 PolarHBondContact OH-OE1 3.16Å
147L97.4Very high94.6Very high0 Ų048.4 Ų48.40%024%0.244CC..EExtended strand (participates in β ladder)trans-92.4116.3158.5172.163.5000107.2C138 L140 L149 I157 L204 W235C138-L147 HydrophobicContact CB-CD1 4.48Å; L140-L147 HydrophobicContact CD2-CB 4.15Å; L140-L147 HydrophobicContact CD2-CD1 4.06Å; L147-L149 HydrophobicContact CD1-CD2 4.47Å; L147-L149 HydrophobicContact CD2-CD2 4.31Å; L147-L149 HydrophobicContact CG-CD2 4.12Å; L147-I157 HydrophobicContact CB-CB 4.33Å; L147-I157 PolarHBondContact N-O 3.14Å; L147-I157 PolarHBondContact O-N 3.24Å; L147-L204 HydrophobicContact CD2-CD1 3.7Å; L147-W235 HydrophobicContact CD1-CH2 3.64Å; L147-W235 HydrophobicContact CD1-CZ2 3.67Å
148F97.4Very high94.5Very high33 Ų3347.5 Ų47.515%0.14524%0.238CC..EExtended strand (participates in β ladder)trans-92134.9175.3-59.8-34.8000110C138 R139 Y146 Y155 E156C138-F148 VanDerWaalsContact CA-O 3.31Å; C138-F148 WeakPolarHBondContact CA-O 3.41Å; R139-F148 HydrophobicContact CG-CB 4.07Å; R139-F148 HydrophobicContact CG-CD2 4.33Å; R139-F148 PolarHBondContact N-O 3.43Å; R139-F148 PolarHBondContact O-N 3.42Å; Y146-F148 AromaticContact CG-CE1 3.99Å; Y146-F148 HydrophobicContact CG-CE1 3.99Å; F148-Y155 WeakPolarHBondContact CA-O 3.46Å; F148-E156 HydrophobicContact CD1-CB 4.23Å; F148-E156 HydrophobicContact CD1-CG 3.79Å; F148-E156 HydrophobicContact CE1-CB 4.28Å; F148-E156 HydrophobicContact CE1-CG 3.75Å; F148-E156 VanDerWaalsContact CE1-OE1 3.27Å; F148-E156 WeakPolarHBondContact CE1-OE1 3.36Å
149L96.8Very high94.3Very high0 Ų047.8 Ų47.80%024%0.24CC..EExtended strand (participates in β ladder)trans-118.6105.5171.3-46171.5000106.9F127 M136 C138 L147 Y155 I157 L217F127-L149 HydrophobicContact CE1-CD1 3.91Å; F127-L149 HydrophobicContact CZ-CD1 3.75Å; M136-L149 HydrophobicContact CE-CB 3.66Å; M136-L149 WeakPolarHBondContact CE-O 3.48Å; M136-L149 HydrophobicContact SD-CB 3.94Å; C138-L149 HydrophobicContact CB-CD2 4.02Å; C138-L149 WeakPolarHBondContact SG-CD2 3.23Å; L147-L149 HydrophobicContact CD1-CD2 4.47Å; L147-L149 HydrophobicContact CD2-CD2 4.31Å; L147-L149 HydrophobicContact CG-CD2 4.12Å; L149-Y155 PolarHBondContact N-O 3.01Å; L149-Y155 PolarHBondContact O-N 2.73Å; L149-I157 HydrophobicContact CD1-CD1 3.82Å; L149-L217 HydrophobicContact CD1-CD1 4.25Å; L149-L217 HydrophobicContact CD1-CD2 3.66Å; L149-L217 HydrophobicContact CD2-CD2 4.23Å
150D96.1Very high94Very high42 Ų4246 Ų4623%0.22524%0.24CC..EExtended strand (participates in β ladder)trans-105.8106.9-175.2-70.7-47.8000109.3M136 I137 R139 H154M136-D150 CarbonylContact C-O 3.52Å; M136-D150 WeakPolarHBondContact CA-O 3.48Å; I137-D150 HydrophobicContact CB-CB 4.35Å; I137-D150 PolarHBondContact N-O 2.79Å; I137-D150 PolarHBondContact O-N 3.04Å; R139-D150 IonicContact CZ-OD2 3.92Å; R139-D150 IonicContact NE-OD2 3.5Å; R139-D150 PolarHBondContact NE-OD2 3.49Å; R139-D150 VanDerWaalsContact NE-OD2 3.14Å; R139-D150 IonicContact NH2-OD2 3.96Å; R139-D150 PolarHBondContact NH2-OD2 2.89Å; D150-H154 IonicContact OD1-CE1 3.63Å; D150-H154 PolarHBondContact OD1-CE1 2.95Å; D150-H154 IonicContact OD1-CG 2.65Å; D150-H154 IonicContact OD1-ND1 3.33Å; D150-H154 PolarHBondContact OD1-ND1 3.37Å
151G92Very high93.7Very high37 Ų3748.6 Ų48.638%0.38125%0.252SS..SBendtrans-135.4-134.3177.300000111S153G151-S153 PolarHBondContact N-O 3.29Å; G151-S153 PolarHBondContact O-N 3.23Å
152D90.3Very high93.6Very high160 Ų16049.2 Ų49.286%0.85626%0.255SS*.SBendtrans-67.4-30.7168.3-71.7-20.4000110.5E134E134-D152 PolarHBondContact OE1-N 3.46Å
153S90.3Very high93.6Very high59 Ų5948 Ų4841%0.41325%0.254SS..SBendtrans-117.1155.6171.3-65.40000111.3M136 G151M136-S153 WeakPolarHBondContact CE-O 3.46Å; G151-S153 PolarHBondContact N-O 3.29Å; G151-S153 PolarHBondContact O-N 3.23Å
154H92.9Very high93.6Very high99 Ų9949.2 Ų49.246%0.45826%0.261SS..EExtended strand (participates in β ladder)trans-101.3123.5175179.172.5000110.2D150 E156D150-H154 IonicContact OD1-CE1 3.63Å; D150-H154 PolarHBondContact OD1-CE1 2.95Å; D150-H154 IonicContact OD1-CG 2.65Å; D150-H154 IonicContact OD1-ND1 3.33Å; D150-H154 PolarHBondContact OD1-ND1 3.37Å; H154-E156 WeakPolarHBondContact NE2-CG 3.48Å; H154-E156 IonicContact NE2-OE1 3.95Å
155Y94.4Very high93.6Very high95 Ų9549.3 Ų49.337%0.37326%0.263SS..EExtended strand (participates in β ladder)trans-120.5137.6174.1-59.3-96.2000111F127 M136 F148 L149F127-Y155 HydrophobicContact CE2-CE2 4.18Å; F127-Y155 HydrophobicContact CZ-CD1 4.44Å; F127-Y155 AromaticContact CZ-CD2 3.95Å; F127-Y155 HydrophobicContact CZ-CD2 3.95Å; F127-Y155 HydrophobicContact CZ-CE2 4.04Å; F127-Y155 HydrophobicContact CZ-CG 4.14Å; M136-Y155 HydrophobicContact CE-CD2 3.77Å; M136-Y155 HydrophobicContact CE-CE2 4.12Å; F148-Y155 WeakPolarHBondContact CA-O 3.46Å; L149-Y155 PolarHBondContact N-O 3.01Å; L149-Y155 PolarHBondContact O-N 2.73Å
156E95.3Very high93.5Very high86 Ų8650.7 Ų50.740%0.40227%0.272SS..EExtended strand (participates in β ladder)trans-114.9120.2174.1-55.5-173.3129.700109.2R9 Y146 F148 H154R9-E156 IonicContact NH1-OE1 3.82Å; R9-E156 PolarHBondContact NH1-OE1 2.9Å; R9-E156 IonicContact NH1-OE2 3.98Å; Y146-E156 HydrophobicContact CD1-CB 4.08Å; F148-E156 HydrophobicContact CD1-CB 4.23Å; F148-E156 HydrophobicContact CD1-CG 3.79Å; F148-E156 HydrophobicContact CE1-CB 4.28Å; F148-E156 HydrophobicContact CE1-CG 3.75Å; F148-E156 VanDerWaalsContact CE1-OE1 3.27Å; F148-E156 WeakPolarHBondContact CE1-OE1 3.36Å; H154-E156 WeakPolarHBondContact NE2-CG 3.48Å; H154-E156 IonicContact NE2-OE1 3.95Å
157I94.8Very high93.4Very high7 Ų752.1 Ų52.14%0.03628%0.281CS..EExtended strand (participates in β ladder)trans-109117173.3-58.6173.7000108.4Y146 L147 L149 I159 I162 Y206 L217Y146-I157 CarbonylContact C-O 3.37Å; Y146-I157 WeakPolarHBondContact CA-O 3.49Å; L147-I157 HydrophobicContact CB-CB 4.33Å; L147-I157 PolarHBondContact N-O 3.14Å; L147-I157 PolarHBondContact O-N 3.24Å; L149-I157 HydrophobicContact CD1-CD1 3.82Å; I157-I159 PolarHBondContact O-N 3.16Å; I157-I162 HydrophobicContact CG2-CD1 4.25Å; I157-I162 HydrophobicContact CG2-CG1 3.99Å; I157-Y206 HydrophobicContact CD1-CD1 4.25Å; I157-Y206 HydrophobicContact CD1-CE1 3.74Å; I157-Y206 HydrophobicContact CD1-CE2 4.24Å; I157-Y206 HydrophobicContact CG1-CE1 4.49Å; I157-Y206 HydrophobicContact CG1-CE2 4.11Å; I157-Y206 HydrophobicContact CG2-CD1 4.35Å; I157-Y206 HydrophobicContact CG2-CD2 3.85Å; I157-Y206 HydrophobicContact CG2-CE2 4.22Å; I157-Y206 HydrophobicContact CG2-CG 3.91Å; I157-L217 HydrophobicContact CD1-CD2 3.92Å
158E93.7Very high93.1Very high62 Ų6254.6 Ų54.629%0.2929%0.294SS..EExtended strand (participates in β ladder)trans-66.1123172.3-79.1-167.7-167.800110.9Y146 V160 H161Y146-E158 HydrophobicContact CD1-CB 4.48Å; Y146-E158 HydrophobicContact CD1-CG 3.5Å; Y146-E158 HydrophobicContact CE1-CB 4.4Å; Y146-E158 HydrophobicContact CE1-CG 3.08Å; Y146-E158 VanDerWaalsContact CE1-OE1 3.27Å; Y146-E158 WeakPolarHBondContact CE1-OE1 3.28Å; Y146-E158 PolarHBondContact OH-OE1 3.16Å; E158-V160 HydrophobicContact CB-CG2 4.14Å; E158-V160 PolarHBondContact O-N 3.02Å; E158-V160 VanDerWaalsContact O-N 3.17Å; E158-H161 PolarHBondContact O-N 3.41Å; E158-H161 IonicContact OE2-CE1 3.52Å; E158-H161 IonicContact OE2-ND1 3.94Å
159I93.8Very high92.6Very high6 Ų656 Ų563%0.03131%0.305CS..G310 helixtrans-57.2-36-177.3-82.1-169.4000111.9P33 F34 L140 Q144 R145 I157 H161 I162 M239 L246P33-I159 HydrophobicContact CB-CG2 4.39Å; P33-I159 HydrophobicContact CG-CB 4.34Å; P33-I159 HydrophobicContact CG-CG2 3.89Å; F34-I159 HydrophobicContact CE2-CD1 4.4Å; F34-I159 HydrophobicContact CZ-CD1 4.48Å; L140-I159 HydrophobicContact CD1-CD1 4.05Å; L140-I159 HydrophobicContact CD2-CD1 3.52Å; L140-I159 HydrophobicContact CD2-CG1 4.44Å; L140-I159 HydrophobicContact CG-CD1 4.41Å; Q144-I159 WeakPolarHBondContact O-CD1 3.38Å; R145-I159 PolarHBondContact O-N 2.91Å; I157-I159 PolarHBondContact O-N 3.16Å; I159-H161 PolarHBondContact O-N 3.28Å; I159-I162 HydrophobicContact CG1-CD1 4.3Å; I159-I162 WeakPolarHBondContact O-CB 3.37Å; I159-I162 PolarHBondContact O-N 3.25Å; I159-I162 VanDerWaalsContact O-N 3.08Å; I159-M239 HydrophobicContact CD1-CE 4.42Å; I159-L246 HydrophobicContact CG2-CD1 3.31Å; I159-L246 HydrophobicContact CG2-CD2 4.22Å; I159-L246 HydrophobicContact CG2-CG 4.41Å
160V90.9Very high91.7Very high66 Ų6661.6 Ų61.640%0.433%0.332SS..G310 helixtrans-64.6-19.1-179.1-64.10000113.3P33 E158P33-V160 HydrophobicContact CB-CG1 3.9Å; E158-V160 HydrophobicContact CB-CG2 4.14Å; E158-V160 PolarHBondContact O-N 3.02Å; E158-V160 VanDerWaalsContact O-N 3.17Å
161H91.9Very high89.5Confident58 Ų5862.8 Ų62.827%0.26935%0.354SS..G310 helixtrans-94-3.7176.9-62.6141.8000113.6E158 I159 S163 Y206 T207 P209E158-H161 PolarHBondContact O-N 3.41Å; E158-H161 IonicContact OE2-CE1 3.52Å; E158-H161 IonicContact OE2-ND1 3.94Å; I159-H161 PolarHBondContact O-N 3.28Å; H161-S163 PolarHBondContact O-N 3.34Å; H161-Y206 WeakPolarHBondContact O-CA 3.46Å; H161-Y206 WeakPolarHBondContact O-CB 3.32Å; H161-T207 WeakPolarHBondContact CB-O 3.4Å; H161-T207 PolarHBondContact O-N 3.22Å; H161-T207 VanDerWaalsContact O-N 3.15Å; H161-P209 VanDerWaalsContact CE1-CG 3.48Å; H161-P209 WeakPolarHBondContact CE1-CG 3.17Å
162I93.1Very high87.1Confident19 Ų1968.5 Ų68.510%0.09737%0.368CS..EExtended strand (participates in β ladder)trans-75.3117.8173.9-58176.2000108.3I157 I159 V165 Q205 M239I157-I162 HydrophobicContact CG2-CD1 4.25Å; I157-I162 HydrophobicContact CG2-CG1 3.99Å; I159-I162 HydrophobicContact CG1-CD1 4.3Å; I159-I162 WeakPolarHBondContact O-CB 3.37Å; I159-I162 PolarHBondContact O-N 3.25Å; I159-I162 VanDerWaalsContact O-N 3.08Å; I162-V165 HydrophobicContact CG2-CG2 3.59Å; I162-Q205 CarbonylContact C-O 3.59Å; I162-Q205 WeakPolarHBondContact CA-O 3.01Å; I162-M239 HydrophobicContact CD1-CE 4.25Å
163S91.3Very high84.5Confident73 Ų7366.2 Ų66.251%0.5136%0.362SS..EExtended strand (participates in β ladder)trans-94.4-34.5-179.555.20000112.7H161 Q205H161-S163 PolarHBondContact O-N 3.34Å; S163-Q205 PolarHBondContact N-O 2.82Å; S163-Q205 PolarHBondContact OG-O 2.79Å
164T91Very high82.3Confident37 Ų3769 Ų6923%0.22738%0.379CS..EExtended strand (participates in β ladder)trans-133.6134.8-175.5-55.10000110.5Q166 L204 Q205T164-Q166 HydrophobicContact CG2-CG 3.84Å; T164-Q166 VanDerWaalsContact CG2-NE2 3.34Å; T164-L204 WeakPolarHBondContact O-CA 3.38Å; T164-Q205 PolarHBondContact N-O 3.46Å; T164-Q205 PolarHBondContact O-N 3.29Å; T164-Q205 PolarHBondContact OG1-OE1 2.93Å
165V93.4Very high79.7Confident24 Ų2467.3 Ų67.315%0.14539%0.388CS..EExtended strand (participates in β ladder)trans-131.6113.9172-1780000109I162 M202 L204 A243I162-V165 HydrophobicContact CG2-CG2 3.59Å; V165-M202 HydrophobicContact CG1-CE 4.02Å; V165-M202 HydrophobicContact CG1-CG 4.3Å; V165-M202 HydrophobicContact CG1-SD 3.78Å; V165-L204 HydrophobicContact CB-CD2 4.03Å; V165-L204 HydrophobicContact CG1-CD2 3.73Å; V165-L204 HydrophobicContact CG2-CD2 3.7Å; V165-A243 HydrophobicContact CB-CB 3.76Å; V165-A243 HydrophobicContact CG1-CB 3.99Å; V165-A243 HydrophobicContact CG2-CB 3.67Å
166Q91.6Very high77Confident79 Ų7972.1 Ų72.137%0.36941%0.414SS..EExtended strand (participates in β ladder)trans-120.8131.1-179.7-67.3173.420.400110.2T164 M202 F203T164-Q166 HydrophobicContact CG2-CG 3.84Å; T164-Q166 VanDerWaalsContact CG2-NE2 3.34Å; Q166-M202 CarbonylContact O-C 3.56Å; Q166-M202 VanDerWaalsContact O-CA 3.25Å; Q166-M202 WeakPolarHBondContact O-CA 3.33Å; Q166-M202 WeakPolarHBondContact O-CG 3.34Å; Q166-F203 HydrophobicContact CB-CB 4.29Å; Q166-F203 PolarHBondContact N-O 3.44Å; Q166-F203 PolarHBondContact O-N 3.38Å
167L93Very high74.4Confident52 Ų5277 Ų7727%0.27243%0.434SS..EExtended strand (participates in β ladder)trans-87.8130.5175.5-167.669.9000109.1T169 A199 M202 L236L167-T169 HydrophobicContact CD2-CG2 4.41Å; L167-T169 HydrophobicContact CG-CG2 4.47Å; L167-A199 HydrophobicContact CD1-CB 3.84Å; L167-A199 HydrophobicContact CD2-CB 4.08Å; L167-A199 HydrophobicContact CG-CB 4.05Å; L167-M202 HydrophobicContact CD1-CE 3.91Å; L167-L236 HydrophobicContact CD1-CB 3.76Å
168L91.1Very high71.9Confident53 Ų5383.9 Ų83.928%0.27747%0.471SS..EExtended strand (participates in β ladder)trans-96.1134.5175.4-52.3177.1000109.1A199 T200 G201 F203 K218L168-A199 CarbonylContact O-C 3.58Å; L168-A199 WeakPolarHBondContact O-CA 3.39Å; L168-T200 PolarHBondContact O-N 3.3Å; L168-T200 PolarHBondContact O-OG1 3.04Å; L168-G201 PolarHBondContact N-O 2.89Å; L168-G201 PolarHBondContact O-N 2.84Å; L168-F203 HydrophobicContact CD2-CB 4.48Å; L168-K218 HydrophobicContact CD1-CD 4.43Å; L168-K218 HydrophobicContact CD1-CG 4.25Å
169T87.1Confident69.4Low62 Ų6287.2 Ų87.238%0.3849%0.489SS..EExtended strand (participates in β ladder)trans-134.8143.1-175.357.40000111.6L167 A197 R198L167-T169 HydrophobicContact CD2-CG2 4.41Å; L167-T169 HydrophobicContact CG-CG2 4.47Å; T169-A197 HydrophobicContact CG2-CB 4.21Å; T169-R198 WeakPolarHBondContact CA-O 3.42Å
170E76.9Confident66.9Low118 Ų11894.6 Ų94.655%0.55152%0.523SS*.EExtended strand (participates in β ladder)trans-96.3138.7169.6-77.4171.8-173.500111.2R198 T200E170-R198 PolarHBondContact N-O 3.08Å; E170-T200 HydrophobicContact CB-CG2 4Å; E170-T200 HydrophobicContact CG-CG2 3.64Å
171G51.7Low64.4Low67 Ų6794.5 Ų94.569%0.69153%0.529SS*.  trans1494.716800000120.5
172F41.2Very low61.9Low156 Ų15698.6 Ų98.668%0.68454%0.543SS*.  trans-127.8139.2175.4-65.7-79.4000111.3
173P35.2Very low59.4Low112 Ų112101.6 Ų101.673%0.72756%0.563SS**  trans-67.9152.7178.527.6-32.7000111.6G175P173-G175 PolarHBondContact O-N 3.36Å
174P43.2Very low56.6Low118 Ų118103 Ų10377%0.76657%0.572SS**SBendtrans-75.788.6-178.931.4-32000109.4
175G39.7Very low54.5Low63 Ų63105.8 Ų105.865%0.64959%0.585SS**  trans-151.1102.9175.500000108.8P173P173-G175 PolarHBondContact O-N 3.36Å
176E38.2Very low51.7Low196 Ų196112 Ų11292%0.91662%0.617SS**SBendtrans69.7100.2178.8-64.9-174.8145.400117
177K39.6Very low49.1Very low189 Ų189111.9 Ų111.982%0.82264%0.637SS**  trans73.677.4165.4-56.8177.9-178.5174.20115.8I179K177-I179 PolarHBondContact O-N 2.71Å
178D42.3Very low46.1Very low151 Ų151113.8 Ų113.881%0.80766%0.655SS**  trans-67.150.9163.3-95.2-35.1000113.5
179I41.4Very low43.1Very low132 Ų132119.8 Ų119.868%0.67768%0.681SS**  trans-144.784.5168.4-52.2176.6000106.3K177 A181K177-I179 PolarHBondContact O-N 2.71Å; I179-A181 HydrophobicContact CG2-CB 3.39Å; I179-A181 PolarHBondContact O-N 2.88Å
180H42.2Very low40.6Very low162 Ų162122.9 Ų122.975%0.7570%0.702SS**  trans-73.259.7153.8-76.5-55.2000109.2Y182H180-Y182 PolarHBondContact O-N 3.24Å
181A36.6Very low38.5Very low63 Ų63122 Ų12252%0.52172%0.715SS.*  trans-70.281.6151.300000106I179I179-A181 HydrophobicContact CG2-CB 3.39Å; I179-A181 PolarHBondContact O-N 2.88Å
182Y40.8Very low37.5Very low145 Ų145124 Ų12457%0.56972%0.718SS**  trans-119.669.7164.7-156.7-96.7000110.3H180 S188H180-Y182 PolarHBondContact O-N 3.24Å; Y182-S188 PolarHBondContact OH-OG 3.5Å
183T39.8Very low37.5Very low82 Ų82126 Ų12650%0.50373%0.73SS.*  trans-15466.4138.520000107.8
184S33.4Very low37.3Very low101 Ų101124.8 Ų124.871%0.70674%0.737SS**  trans-66.4141.3144.9-169.40000106.8L186S184-L186 PolarHBondContact O-N 2.94Å
185L46.3Very low37Very low97 Ų97122 Ų12251%0.50873%0.731SS.*SBendtrans-78.223.9-154.6-65.1165.9000114.4Y247L185-Y247 HydrophobicContact CB-CE1 4.22Å; L185-Y247 HydrophobicContact CB-CE2 4.4Å; L185-Y247 WeakPolarHBondContact CB-OH 3.26Å; L185-Y247 HydrophobicContact CD1-CD2 4.39Å; L185-Y247 HydrophobicContact CD1-CE2 3.39Å; L185-Y247 WeakPolarHBondContact CD1-OH 3.37Å; L185-Y247 HydrophobicContact CD2-CD1 3.82Å; L185-Y247 HydrophobicContact CD2-CD2 3.55Å; L185-Y247 HydrophobicContact CD2-CE1 3.5Å; L185-Y247 HydrophobicContact CD2-CE2 3.19Å; L185-Y247 HydrophobicContact CD2-CG 3.87Å; L185-Y247 HydrophobicContact CG-CE1 4.28Å; L185-Y247 HydrophobicContact CG-CE2 3.75Å
186L33.7Very low37.2Very low154 Ų154126.7 Ų126.781%0.80674%0.741SS**SBendtrans-140.6112.3-175.5-79164.4000111.2S184S184-L186 PolarHBondContact O-N 2.94Å
187G37.8Very low38.2Very low76 Ų76119.8 Ų119.878%0.78472%0.717SS**  trans41.8105.5148.300000119
188S30Very low40.1Very low93 Ų93119.2 Ų119.265%0.6571%0.71SS**  -165.6159.7122.146.80000111.9Y182Y182-S188 PolarHBondContact OH-OG 3.5Å
189Q28.6Very low42.3Very low179 Ų179112.3 Ų112.384%0.83667%0.674SS**  trans-55.7162.1-167.4-76.9-176.6-18.100115.6A191Q189-A191 PolarHBondContact O-N 3.47Å; Q189-A191 VanDerWaalsContact O-N 3.16Å
190P33.8Very low44.7Very low127 Ų127107 Ų10783%0.82565%0.648SS**  trans-68.7115.4179.226.5-27.7000109.7
191A32.9Very low47.1Very low99 Ų9999.4 Ų99.482%0.81861%0.613SS**  trans-64.2139.816600000109.4Q189Q189-A191 PolarHBondContact O-N 3.47Å; Q189-A191 VanDerWaalsContact O-N 3.16Å
192S30.2Very low49.9Very low109 Ų10996.4 Ų96.476%0.76259%0.588SS**  trans-51.1151.3-173.155.40000115.1G194S192-G194 PolarHBondContact O-N 3.41Å
193E41.6Very low52.5Low199 Ų19991.4 Ų91.493%0.9357%0.569SS**SBendtrans-37.4130158.2-64.6176.8138.400111.6
194G32.3Very low55.2Low85 Ų8587.5 Ų87.588%0.87655%0.545SS*.  trans153.48.7169.700000119.9S192S192-G194 PolarHBondContact O-N 3.41Å
195G35.1Very low58.1Low61 Ų6184.8 Ų84.863%0.62952%0.522SS*.  trans-138.1110.517700000112.7A197G195-A197 PolarHBondContact O-N 3.23Å
196N45.6Very low60.4Low160 Ų16081.2 Ų81.286%0.85650%0.502SS*.  trans-74.253.8173.5-84.9-22.5000111.3R198N196-R198 PolarHBondContact O-N 3.43Å
197A58.1Low63.2Low52 Ų5276.8 Ų76.843%0.4348%0.481SS..  trans-63109.5169.400000107.9T169 G195T169-A197 HydrophobicContact CG2-CB 4.21Å; G195-A197 PolarHBondContact O-N 3.23Å
198R79.4Confident65.6Low176 Ų17675.8 Ų75.866%0.66446%0.46SS*.EExtended strand (participates in β ladder)trans-86.7123-179.4-76.3179.2170.4169.5-1.3108.2T169 E170 N196 T200T169-R198 WeakPolarHBondContact CA-O 3.42Å; E170-R198 PolarHBondContact N-O 3.08Å; N196-R198 PolarHBondContact O-N 3.43Å; R198-T200 PolarHBondContact O-N 3.41Å
199A88.1Confident68.3Low6 Ų675.9 Ų75.95%0.0546%0.458CS..EExtended strand (participates in β ladder)trans-60.8128.7171.400000109.6L167 L168 V233 L236 V237L167-A199 HydrophobicContact CD1-CB 3.84Å; L167-A199 HydrophobicContact CD2-CB 4.08Å; L167-A199 HydrophobicContact CG-CB 4.05Å; L168-A199 CarbonylContact O-C 3.58Å; L168-A199 WeakPolarHBondContact O-CA 3.39Å; A199-V233 HydrophobicContact CB-CG1 4.35Å; A199-V233 WeakPolarHBondContact O-CG2 3.17Å; A199-L236 HydrophobicContact CB-CB 4.34Å; A199-L236 HydrophobicContact CB-CD1 4.23Å; A199-V237 HydrophobicContact CB-CG2 4.37Å
200T91.5Very high71Confident22 Ų2271.6 Ų71.614%0.13546%0.462CS..EExtended strand (participates in β ladder)trans-118.4-19.1179.353.40000112.3L168 E170 R198 A221L168-T200 PolarHBondContact O-N 3.3Å; L168-T200 PolarHBondContact O-OG1 3.04Å; E170-T200 HydrophobicContact CB-CG2 4Å; E170-T200 HydrophobicContact CG-CG2 3.64Å; R198-T200 PolarHBondContact O-N 3.41Å; T200-A221 WeakPolarHBondContact O-CB 3.44Å; T200-A221 PolarHBondContact O-N 2.95Å
201G94Very high73.5Confident1 Ų169.2 Ų69.21%0.0145%0.445CS..EExtended strand (participates in β ladder)trans-167.1-171.9175.900000113.1L168 L219L168-G201 PolarHBondContact N-O 2.89Å; L168-G201 PolarHBondContact O-N 2.84Å; G201-L219 CarbonylContact C-O 3.56Å; G201-L219 WeakPolarHBondContact CA-O 3.14Å
202M95.7Very high75.7Confident0 Ų074.4 Ų74.40%045%0.452CS..EExtended strand (participates in β ladder)trans-148.4142.3176.8173.2168.2-66.100110V165 Q166 L167 L204 K218 L219 L236 M239 H240V165-M202 HydrophobicContact CG1-CE 4.02Å; V165-M202 HydrophobicContact CG1-CG 4.3Å; V165-M202 HydrophobicContact CG1-SD 3.78Å; Q166-M202 CarbonylContact O-C 3.56Å; Q166-M202 VanDerWaalsContact O-CA 3.25Å; Q166-M202 WeakPolarHBondContact O-CA 3.33Å; Q166-M202 WeakPolarHBondContact O-CG 3.34Å; L167-M202 HydrophobicContact CD1-CE 3.91Å; M202-L204 HydrophobicContact CG-CD2 3.75Å; M202-L204 HydrophobicContact CG-CG 4.12Å; M202-L204 HydrophobicContact SD-CD2 3.75Å; M202-L204 HydrophobicContact SD-CG 4.45Å; M202-K218 CarbonylContact O-C 3.53Å; M202-K218 WeakPolarHBondContact O-CA 3.26Å; M202-L219 HydrophobicContact CB-CB 4.37Å; M202-L219 HydrophobicContact CB-CD1 4.47Å; M202-L219 PolarHBondContact N-O 3.25Å; M202-L219 PolarHBondContact O-N 2.94Å; M202-L236 HydrophobicContact CB-CD2 3.46Å; M202-L236 VanDerWaalsContact CB-CD2 3.46Å; M202-L236 HydrophobicContact CE-CB 4.38Å; M202-L236 HydrophobicContact CE-CD2 4.34Å; M202-L236 WeakPolarHBondContact CE-O 3.42Å; M202-M239 HydrophobicContact CE-CB 3.96Å; M202-M239 HydrophobicContact CE-CG 4.29Å; M202-M239 HydrophobicContact SD-CB 4.02Å; M202-M239 HydrophobicContact SD-CG 3.75Å; M202-H240 HydrophobicContact CE-CB 4.08Å
203F95.5Very high78.4Confident41 Ų4171.4 Ų71.418%0.1844%0.439CS..EExtended strand (participates in β ladder)trans-113.8128.1173.8179.2-99.5000109.2Q166 L168 Q205 Q216 L217Q166-F203 HydrophobicContact CB-CB 4.29Å; Q166-F203 PolarHBondContact N-O 3.44Å; Q166-F203 PolarHBondContact O-N 3.38Å; L168-F203 HydrophobicContact CD2-CB 4.48Å; F203-Q205 HydrophobicContact CD1-CG 4.26Å; F203-Q205 HydrophobicContact CE1-CG 3.42Å; F203-Q205 VanDerWaalsContact CE1-CG 3.42Å; F203-Q205 HydrophobicContact CZ-CG 3.89Å; F203-Q216 HydrophobicContact CE2-CB 3.87Å; F203-Q216 HydrophobicContact CE2-CG 4.33Å; F203-Q216 HydrophobicContact CZ-CB 3.93Å; F203-Q216 HydrophobicContact CZ-CG 3.9Å; F203-L217 WeakPolarHBondContact CA-O 3.32Å
204L95.4Very high80.7Confident0 Ų065.7 Ų65.70%042%0.417CS..EExtended strand (participates in β ladder)trans-119.2140.6179.4-54.9177.8000109.6L147 T164 V165 M202 Q216 L217 L219L147-L204 HydrophobicContact CD2-CD1 3.7Å; T164-L204 WeakPolarHBondContact O-CA 3.38Å; V165-L204 HydrophobicContact CB-CD2 4.03Å; V165-L204 HydrophobicContact CG1-CD2 3.73Å; V165-L204 HydrophobicContact CG2-CD2 3.7Å; M202-L204 HydrophobicContact CG-CD2 3.75Å; M202-L204 HydrophobicContact CG-CG 4.12Å; M202-L204 HydrophobicContact SD-CD2 3.75Å; M202-L204 HydrophobicContact SD-CG 4.45Å; L204-Q216 WeakPolarHBondContact O-CA 3.46Å; L204-L217 HydrophobicContact CB-CB 4.26Å; L204-L217 HydrophobicContact CD1-CD2 4.18Å; L204-L217 PolarHBondContact N-O 3.46Å; L204-L217 PolarHBondContact O-N 2.96Å; L204-L219 HydrophobicContact CD1-CD1 4.46Å
205Q94.8Very high83.6Confident44 Ų4463.7 Ų63.721%0.20639%0.388CS..EExtended strand (participates in β ladder)trans-119.4136.6165.8-59.9-176.4-49.700109.5I162 S163 T164 F203 V214 T215 Q216I162-Q205 CarbonylContact C-O 3.59Å; I162-Q205 WeakPolarHBondContact CA-O 3.01Å; S163-Q205 PolarHBondContact N-O 2.82Å; S163-Q205 PolarHBondContact OG-O 2.79Å; T164-Q205 PolarHBondContact N-O 3.46Å; T164-Q205 PolarHBondContact O-N 3.29Å; T164-Q205 PolarHBondContact OG1-OE1 2.93Å; F203-Q205 HydrophobicContact CD1-CG 4.26Å; F203-Q205 HydrophobicContact CE1-CG 3.42Å; F203-Q205 VanDerWaalsContact CE1-CG 3.42Å; F203-Q205 HydrophobicContact CZ-CG 3.89Å; Q205-V214 HydrophobicContact CB-CG1 3.67Å; Q205-V214 HydrophobicContact CG-CG1 4.28Å; Q205-T215 WeakPolarHBondContact CA-O 3.28Å; Q205-Q216 HydrophobicContact CG-CG 4.33Å
206Y93.5Very high86.4Confident22 Ų2264.3 Ų64.39%0.08638%0.375CS..EExtended strand (participates in β ladder)trans-149.9156.3179.966.3-80.3000111.6I157 H161 V208 T215 L217I157-Y206 HydrophobicContact CD1-CD1 4.25Å; I157-Y206 HydrophobicContact CD1-CE1 3.74Å; I157-Y206 HydrophobicContact CD1-CE2 4.24Å; I157-Y206 HydrophobicContact CG1-CE1 4.49Å; I157-Y206 HydrophobicContact CG1-CE2 4.11Å; I157-Y206 HydrophobicContact CG2-CD1 4.35Å; I157-Y206 HydrophobicContact CG2-CD2 3.85Å; I157-Y206 HydrophobicContact CG2-CE2 4.22Å; I157-Y206 HydrophobicContact CG2-CG 3.91Å; H161-Y206 WeakPolarHBondContact O-CA 3.46Å; H161-Y206 WeakPolarHBondContact O-CB 3.32Å; Y206-V208 HydrophobicContact CD2-CG2 4.08Å; Y206-V208 HydrophobicContact CE2-CG2 3.63Å; Y206-T215 HydrophobicContact CE1-CG2 3.79Å; Y206-T215 HydrophobicContact CE2-CG2 4.23Å; Y206-T215 PolarHBondContact N-O 3.35Å; Y206-T215 PolarHBondContact O-N 2.92Å; Y206-T215 WeakPolarHBondContact OH-CG2 3.32Å; Y206-L217 HydrophobicContact CE1-CB 4.23Å
207T93.3Very high88.7Confident60 Ų6056.7 Ų56.737%0.36833%0.334SS..PPolyproline II helixtrans-101.1137.2176.153.60000110.4H161 V214H161-T207 WeakPolarHBondContact CB-O 3.4Å; H161-T207 PolarHBondContact O-N 3.22Å; H161-T207 VanDerWaalsContact O-N 3.15Å; T207-V214 HydrophobicContact CG2-CG2 4.35Å
208V89Confident90.5Very high56 Ų5658.8 Ų58.834%0.33933%0.333SS..PPolyproline II helixtrans-96.8124172.5-1800000108.8Y206 G210 T211Y206-V208 HydrophobicContact CD2-CG2 4.08Å; Y206-V208 HydrophobicContact CE2-CG2 3.63Å; V208-G210 PolarHBondContact O-N 3.38Å; V208-T211 HydrophobicContact CB-CG2 4.18Å; V208-T211 WeakPolarHBondContact CB-OG1 3.29Å; V208-T211 HydrophobicContact CG1-CG2 4.14Å; V208-T211 PolarHBondContact O-N 3.42Å; V208-T211 VanDerWaalsContact O-N 3.09Å; V208-T211 PolarHBondContact O-OG1 3.26Å
209P86.3Confident91.3Very high94 Ų9450.4 Ų50.461%0.6130%0.302SS*.THydrogen-bonded Turntrans-53.3130.4177.2-26.734.8000111.8H161H161-P209 VanDerWaalsContact CE1-CG 3.48Å; H161-P209 WeakPolarHBondContact CE1-CG 3.17Å
210G84.4Confident91.6Very high90 Ų9052.2 Ų52.293%0.92831%0.312SS*.THydrogen-bonded Turntrans852.5-179.600000115.4V208V208-G210 PolarHBondContact O-N 3.38Å
211T86.1Confident91.6Very high77 Ų7751.7 Ų51.747%0.47231%0.31SS..SBendtrans-112.5142.8172.266.40000110.9V208V208-T211 HydrophobicContact CB-CG2 4.18Å; V208-T211 WeakPolarHBondContact CB-OG1 3.29Å; V208-T211 HydrophobicContact CG1-CG2 4.14Å; V208-T211 PolarHBondContact O-N 3.42Å; V208-T211 VanDerWaalsContact O-N 3.09Å; V208-T211 PolarHBondContact O-OG1 3.26Å
212E80.6Confident91Very high207 Ų20753.1 Ų53.197%0.96732%0.319SS*.SBendtrans-86.3108.8170.9-66.8-172.5173.600109.1
213G85.4Confident89.8Confident46 Ų4660.2 Ų60.247%0.47435%0.352SS..SBendtrans137.9-179.2174.100000114.7
214V90.6Very high88.3Confident79 Ų7964.2 Ų64.248%0.47938%0.375SS..  trans-114.3124.6177.4178.70000108.4Q205 T207Q205-V214 HydrophobicContact CB-CG1 3.67Å; Q205-V214 HydrophobicContact CG-CG1 4.28Å; T207-V214 HydrophobicContact CG2-CG2 4.35Å
215T93.3Very high86.5Confident44 Ų4467.9 Ų67.927%0.2741%0.405SS..EExtended strand (participates in β ladder)trans-87.7144.2174.3-53.80000109.6Q205 Y206Q205-T215 WeakPolarHBondContact CA-O 3.28Å; Y206-T215 HydrophobicContact CE1-CG2 3.79Å; Y206-T215 HydrophobicContact CE2-CG2 4.23Å; Y206-T215 PolarHBondContact N-O 3.35Å; Y206-T215 PolarHBondContact O-N 2.92Å; Y206-T215 WeakPolarHBondContact OH-CG2 3.32Å
216Q93.7Very high85Confident73 Ų7371.8 Ų71.834%0.34143%0.428SS..EExtended strand (participates in β ladder)trans-117.2140.8-179-55.3-173.3-2.100110.2G128 F203 L204 Q205G128-Q216 PolarHBondContact N-O 2.78Å; F203-Q216 HydrophobicContact CE2-CB 3.87Å; F203-Q216 HydrophobicContact CE2-CG 4.33Å; F203-Q216 HydrophobicContact CZ-CB 3.93Å; F203-Q216 HydrophobicContact CZ-CG 3.9Å; L204-Q216 WeakPolarHBondContact O-CA 3.46Å; Q205-Q216 HydrophobicContact CG-CG 4.33Å
217L94.9Very high83.6Confident0 Ų076.3 Ų76.30%046%0.457CS..EExtended strand (participates in β ladder)trans-132.7131.2176.5-170.472.5000109.5V125 T126 F127 L149 I157 F203 L204 Y206 L219V125-L217 HydrophobicContact CG1-CD1 3.3Å; V125-L217 HydrophobicContact CG1-CD2 4.4Å; V125-L217 HydrophobicContact CG1-CG 4.02Å; T126-L217 WeakPolarHBondContact O-CA 3.48Å; F127-L217 HydrophobicContact CD1-CD1 3.31Å; F127-L217 HydrophobicContact CD2-CD1 4.36Å; F127-L217 HydrophobicContact CE1-CD1 3.28Å; F127-L217 HydrophobicContact CE2-CD1 4.34Å; F127-L217 HydrophobicContact CG-CD1 3.88Å; F127-L217 HydrophobicContact CZ-CD1 3.83Å; L149-L217 HydrophobicContact CD1-CD1 4.25Å; L149-L217 HydrophobicContact CD1-CD2 3.66Å; L149-L217 HydrophobicContact CD2-CD2 4.23Å; I157-L217 HydrophobicContact CD1-CD2 3.92Å; F203-L217 WeakPolarHBondContact CA-O 3.32Å; L204-L217 HydrophobicContact CB-CB 4.26Å; L204-L217 HydrophobicContact CD1-CD2 4.18Å; L204-L217 PolarHBondContact N-O 3.46Å; L204-L217 PolarHBondContact O-N 2.96Å; Y206-L217 HydrophobicContact CE1-CB 4.23Å; L217-L219 HydrophobicContact CD2-CD2 3.86Å; L217-L219 HydrophobicContact CG-CD2 4.19Å
218K95.6Very high82.9Confident96 Ų9675.4 Ų75.442%0.41746%0.46SS..EExtended strand (participates in β ladder)trans-112.4127.7170.7-172.7179.4176.8-179.20109.8V125 T126 L168 M202V125-K218 CarbonylContact C-O 3.59Å; V125-K218 WeakPolarHBondContact CA-O 3.32Å; T126-K218 PolarHBondContact N-O 2.86Å; T126-K218 PolarHBondContact O-N 2.99Å; L168-K218 HydrophobicContact CD1-CD 4.43Å; L168-K218 HydrophobicContact CD1-CG 4.25Å; M202-K218 CarbonylContact O-C 3.53Å; M202-K218 WeakPolarHBondContact O-CA 3.26Å
219L95.6Very high82.6Confident0 Ų076.1 Ų76.10%046%0.456CS..EExtended strand (participates in β ladder)trans-104.3127.3170.5-51.8179.7000108F123 L124 V125 G201 M202 L204 L217 W235 L236F123-L219 HydrophobicContact CB-CB 4.27Å; F123-L219 HydrophobicContact CD1-CB 4.19Å; F123-L219 HydrophobicContact CG-CB 4.17Å; L124-L219 CarbonylContact O-C 3.54Å; V125-L219 HydrophobicContact CB-CD2 4.45Å; V125-L219 HydrophobicContact CG1-CD2 4.17Å; V125-L219 HydrophobicContact CG2-CD2 3.71Å; G201-L219 CarbonylContact C-O 3.56Å; G201-L219 WeakPolarHBondContact CA-O 3.14Å; M202-L219 HydrophobicContact CB-CB 4.37Å; M202-L219 HydrophobicContact CB-CD1 4.47Å; M202-L219 PolarHBondContact N-O 3.25Å; M202-L219 PolarHBondContact O-N 2.94Å; L204-L219 HydrophobicContact CD1-CD1 4.46Å; L217-L219 HydrophobicContact CD2-CD2 3.86Å; L217-L219 HydrophobicContact CG-CD2 4.19Å; L219-W235 HydrophobicContact CD1-CH2 4.29Å; L219-W235 HydrophobicContact CD1-CZ3 3.8Å; L219-L236 HydrophobicContact CB-CD2 4.44Å
220T93.8Very high82.7Confident45 Ų4580.5 Ų80.528%0.27646%0.461SS..EExtended strand (participates in β ladder)trans-122.3129.4175.6-49.10000108.7F123 L124 V222F123-T220 CarbonylContact C-O 3.58Å; F123-T220 WeakPolarHBondContact CA-O 3.42Å; L124-T220 PolarHBondContact N-O 3.3Å; L124-T220 PolarHBondContact O-N 3.42Å; T220-V222 PolarHBondContact O-N 2.92Å
221A91.4Very high83Confident11 Ų1180.1 Ų80.19%0.09144%0.435CS..EExtended strand (participates in β ladder)trans-64.2129.8178.600000109.9T200 A232T200-A221 WeakPolarHBondContact O-CB 3.44Å; T200-A221 PolarHBondContact O-N 2.95Å; A221-A232 HydrophobicContact CB-CB 3.95Å
222V82.8Confident83.4Confident31 Ų3176.5 Ų76.519%0.18841%0.413CS..  trans-67.5139176.2-166.90000109T122 L124 T220 D224T122-V222 HydrophobicContact CG2-CG2 4.04Å; L124-V222 HydrophobicContact CG-CG2 4.28Å; T220-V222 PolarHBondContact O-N 2.92Å; V222-D224 HydrophobicContact CG1-CB 4.09Å; V222-D224 PolarHBondContact O-N 3.25Å
223E70.9Confident84Confident149 Ų14968.6 Ų68.670%0.69638%0.378SS*.  trans-80.412.8179.5-59.3-145.9117.900114.3R229E223-R229 IonicContact OE1-CZ 3.95Å; E223-R229 IonicContact OE1-NH1 2.88Å; E223-R229 PolarHBondContact OE1-NH1 3.5Å
224D63Low84.4Confident124 Ų12468.3 Ų68.366%0.66337%0.371SS*.  trans-75.9156-179.7-99-37.7000113.1V222V222-D224 HydrophobicContact CG1-CB 4.09Å; V222-D224 PolarHBondContact O-N 3.25Å
225A58.8Low84.6Confident77 Ų7764.5 Ų64.564%0.63635%0.348SS*.THydrogen-bonded Turntrans0.6119.1179.200000115.5V227 G228A225-V227 CarbonylContact O-C 3.45Å; A225-V227 PolarHBondContact O-N 3.44Å; A225-G228 PolarHBondContact O-N 2.84Å
226N62.8Low84.8Confident127 Ų12762.4 Ų62.468%0.67934%0.336SS*.Hα-helixtrans-26.4-33.9-174.9-95.7-32.7000118.9R230N226-R230 WeakPolarHBondContact O-CG 3.31Å; N226-R230 PolarHBondContact O-N 2.9Å
227V63.1Low84.8Confident117 Ų11761.4 Ų61.471%0.70933%0.334SS*.Hα-helixtrans-68.7-45.2177.2-176.30000112.5A225 R230 Q231A225-V227 CarbonylContact O-C 3.45Å; A225-V227 PolarHBondContact O-N 3.44Å; V227-R230 PolarHBondContact O-N 3.27Å; V227-Q231 PolarHBondContact O-N 2.97Å
228G78.3Confident84.8Confident40 Ų4061.4 Ų61.441%0.41233%0.334SS..Hα-helixtrans-64.6-43.7-178.600000112.2A225 R230 Q231 A232A225-G228 PolarHBondContact O-N 2.84Å; G228-R230 PolarHBondContact O-N 2.97Å; G228-Q231 PolarHBondContact O-N 2.85Å; G228-A232 WeakPolarHBondContact O-CB 3.37Å; G228-A232 PolarHBondContact O-N 3.37Å
229R83.9Confident84.8Confident71 Ų7157 Ų5727%0.26832%0.315SS..Hα-helixtrans-59.4-42.7175.7-170.5173.8-178.7132.61112.6E223 Q231 A232 V233E223-R229 IonicContact OE1-CZ 3.95Å; E223-R229 IonicContact OE1-NH1 2.88Å; E223-R229 PolarHBondContact OE1-NH1 3.5Å; R229-Q231 PolarHBondContact O-N 3.37Å; R229-A232 PolarHBondContact O-N 2.86Å; R229-V233 HydrophobicContact CG-CG2 4.44Å; R229-V233 WeakPolarHBondContact O-CB 3.35Å; R229-V233 WeakPolarHBondContact O-CG2 3.31Å; R229-V233 PolarHBondContact O-N 3.05Å
230R88.2Confident84.7Confident187 Ų18758.7 Ų58.771%0.70632%0.323SS*.Hα-helixtrans-63.4-41.7178.4-74.5178.4-171.8-177.53.2112.1N226 V227 G228 A234N226-R230 WeakPolarHBondContact O-CG 3.31Å; N226-R230 PolarHBondContact O-N 2.9Å; V227-R230 PolarHBondContact O-N 3.27Å; G228-R230 PolarHBondContact O-N 2.97Å; R230-A234 WeakPolarHBondContact O-CB 3.31Å; R230-A234 PolarHBondContact O-N 3.4Å
231Q91.3Very high84.6Confident82 Ų8260.8 Ų60.838%0.38333%0.328SS..Hα-helixtrans-66.5-43.8177.7-17316718.800111.5S119 G120 A121 V227 G228 R229 A234 W235S119-Q231 PolarHBondContact OG-NE2 3.37Å; G120-Q231 PolarHBondContact O-NE2 3.46Å; A121-Q231 HydrophobicContact CB-CG 4.21Å; V227-Q231 PolarHBondContact O-N 2.97Å; G228-Q231 PolarHBondContact O-N 2.85Å; R229-Q231 PolarHBondContact O-N 3.37Å; Q231-A234 PolarHBondContact O-N 3.28Å; Q231-W235 WeakPolarHBondContact O-CB 3.4Å; Q231-W235 PolarHBondContact O-N 3.06Å
232A93.5Very high84.7Confident1 Ų160.3 Ų60.31%0.00832%0.324CS..Hα-helixtrans-58.7-48.8174.900000111.9A121 F123 A221 G228 R229 A234 W235 L236A121-A232 HydrophobicContact CB-CB 4.36Å; F123-A232 HydrophobicContact CD1-CB 4.37Å; F123-A232 HydrophobicContact CE1-CB 3.68Å; F123-A232 HydrophobicContact CZ-CB 4.03Å; A221-A232 HydrophobicContact CB-CB 3.95Å; G228-A232 WeakPolarHBondContact O-CB 3.37Å; G228-A232 PolarHBondContact O-N 3.37Å; R229-A232 PolarHBondContact O-N 2.86Å; A232-A234 PolarHBondContact O-N 3.44Å; A232-W235 WeakPolarHBondContact O-CB 3.28Å; A232-W235 PolarHBondContact O-N 2.85Å; A232-W235 VanDerWaalsContact O-N 3.16Å; A232-L236 VanDerWaalsContact O-CG 3.3Å; A232-L236 WeakPolarHBondContact O-CG 3.34Å; A232-L236 PolarHBondContact O-N 3.38Å
233V92.8Very high85.1Confident41 Ų4159.8 Ų59.825%0.24832%0.323CS..Hα-helixtrans-59.1-46.2176.6172.10000111.6A199 R229 W235 L236 V237A199-V233 HydrophobicContact CB-CG1 4.35Å; A199-V233 WeakPolarHBondContact O-CG2 3.17Å; R229-V233 HydrophobicContact CG-CG2 4.44Å; R229-V233 WeakPolarHBondContact O-CB 3.35Å; R229-V233 WeakPolarHBondContact O-CG2 3.31Å; R229-V233 PolarHBondContact O-N 3.05Å; V233-W235 VanDerWaalsContact C-N 3.28Å; V233-W235 PolarHBondContact O-N 3.2Å; V233-L236 PolarHBondContact O-N 2.94Å; V233-V237 WeakPolarHBondContact O-CG2 3Å; V233-V237 PolarHBondContact O-N 3.04Å; V233-V237 VanDerWaalsContact O-N 3.08Å
234A93.6Very high85.8Confident39 Ų3957.2 Ų57.232%0.32231%0.31SS..Hα-helixtrans-61-39.8177.200000111.7V116 R230 Q231 A232 A238V116-A234 HydrophobicContact CG1-CB 4.13Å; R230-A234 WeakPolarHBondContact O-CB 3.31Å; R230-A234 PolarHBondContact O-N 3.4Å; Q231-A234 PolarHBondContact O-N 3.28Å; A232-A234 PolarHBondContact O-N 3.44Å; A234-A238 VanDerWaalsContact O-CB 3.24Å; A234-A238 WeakPolarHBondContact O-CB 3.02Å; A234-A238 PolarHBondContact O-N 3.48Å
235W96.2Very high86.9Confident0 Ų052.1 Ų52.10%028%0.283CS..Hα-helixtrans-66.2-44.5177.7-167.8104.7000112V116 L117 A121 F123 C138 L147 L219 Q231 A232 V233 V237 A238 M239V116-W235 HydrophobicContact CG1-CB 4.04Å; L117-W235 HydrophobicContact CD2-CD2 4.1Å; L117-W235 HydrophobicContact CD2-CG 4.38Å; L117-W235 HydrophobicContact CD2-CZ2 4.09Å; L117-W235 PolarHBondContact O-NE1 3.23Å; A121-W235 HydrophobicContact CB-CB 3.78Å; A121-W235 HydrophobicContact CB-CG 3.97Å; F123-W235 AromaticContact CE2-CD2 3.91Å; F123-W235 HydrophobicContact CE2-CD2 3.91Å; F123-W235 AromaticContact CE2-CE3 3.67Å; F123-W235 HydrophobicContact CE2-CE3 3.67Å; F123-W235 HydrophobicContact CE2-CG 4.29Å; F123-W235 HydrophobicContact CE2-CZ3 4.22Å; F123-W235 HydrophobicContact CZ-CB 4.14Å; F123-W235 HydrophobicContact CZ-CD2 4.08Å; F123-W235 AromaticContact CZ-CE3 3.64Å; F123-W235 HydrophobicContact CZ-CE3 3.64Å; F123-W235 HydrophobicContact CZ-CG 4.29Å; F123-W235 HydrophobicContact CZ-CZ3 4.43Å; C138-W235 HydrophobicContact CB-CH2 4.27Å; C138-W235 HydrophobicContact CB-CZ2 4.2Å; C138-W235 PolarHBondContact O-NE1 3.3Å; L147-W235 HydrophobicContact CD1-CH2 3.64Å; L147-W235 HydrophobicContact CD1-CZ2 3.67Å; L219-W235 HydrophobicContact CD1-CH2 4.29Å; L219-W235 HydrophobicContact CD1-CZ3 3.8Å; Q231-W235 WeakPolarHBondContact O-CB 3.4Å; Q231-W235 PolarHBondContact O-N 3.06Å; A232-W235 WeakPolarHBondContact O-CB 3.28Å; A232-W235 PolarHBondContact O-N 2.85Å; A232-W235 VanDerWaalsContact O-N 3.16Å; V233-W235 VanDerWaalsContact C-N 3.28Å; V233-W235 PolarHBondContact O-N 3.2Å; W235-V237 PolarHBondContact O-N 2.68Å; W235-A238 PolarHBondContact O-N 2.8Å; W235-M239 HydrophobicContact CE3-CB 4.04Å; W235-M239 HydrophobicContact CH2-CB 4.09Å; W235-M239 HydrophobicContact CH2-CG 3.89Å; W235-M239 HydrophobicContact CH2-SD 4.22Å; W235-M239 HydrophobicContact CZ3-CB 3.72Å; W235-M239 HydrophobicContact CZ3-CG 3.88Å; W235-M239 WeakPolarHBondContact O-CB 3.5Å; W235-M239 PolarHBondContact O-N 3.15Å
236L95.8Very high88.2Confident0 Ų049.8 Ų49.80%026%0.259CS..Hα-helixtrans-58.6-46.6176-66.2169.9000111.3F123 L167 A199 M202 L219 A232 V233 M239 H240F123-L236 HydrophobicContact CD1-CD2 4.37Å; F123-L236 HydrophobicContact CE1-CD1 3.98Å; F123-L236 HydrophobicContact CE1-CD2 3.59Å; F123-L236 HydrophobicContact CE1-CG 3.62Å; F123-L236 HydrophobicContact CZ-CD2 3.92Å; F123-L236 HydrophobicContact CZ-CG 3.93Å; L167-L236 HydrophobicContact CD1-CB 3.76Å; A199-L236 HydrophobicContact CB-CB 4.34Å; A199-L236 HydrophobicContact CB-CD1 4.23Å; M202-L236 HydrophobicContact CB-CD2 3.46Å; M202-L236 VanDerWaalsContact CB-CD2 3.46Å; M202-L236 HydrophobicContact CE-CB 4.38Å; M202-L236 HydrophobicContact CE-CD2 4.34Å; M202-L236 WeakPolarHBondContact CE-O 3.42Å; L219-L236 HydrophobicContact CB-CD2 4.44Å; A232-L236 VanDerWaalsContact O-CG 3.3Å; A232-L236 WeakPolarHBondContact O-CG 3.34Å; A232-L236 PolarHBondContact O-N 3.38Å; V233-L236 PolarHBondContact O-N 2.94Å; L236-M239 PolarHBondContact O-N 3.48Å; L236-H240 PolarHBondContact O-N 3.16Å
237V93.9Very high89.1Confident51 Ų5147.2 Ų47.231%0.30924%0.24SC..Hα-helixtrans-64.9-41.9177.1173.80000111.2A199 V233 W235 M239 H240 K241A199-V237 HydrophobicContact CB-CG2 4.37Å; V233-V237 WeakPolarHBondContact O-CG2 3Å; V233-V237 PolarHBondContact O-N 3.04Å; V233-V237 VanDerWaalsContact O-N 3.08Å; W235-V237 PolarHBondContact O-N 2.68Å; V237-M239 VanDerWaalsContact C-N 3.34Å; V237-M239 PolarHBondContact O-N 2.55Å; V237-H240 PolarHBondContact O-N 3.11Å; V237-K241 HydrophobicContact CG1-CD 4.47Å; V237-K241 WeakPolarHBondContact O-CG 3.39Å; V237-K241 PolarHBondContact O-N 2.91Å
238A95.3Very high89.6Confident0 Ų046.3 Ų46.30%023%0.228CC..Hα-helixtrans-61.9-41.9177.300000111.7Q113 V116 L117 A234 W235 K241 A242Q113-A238 HydrophobicContact CB-CB 3.94Å; V116-A238 HydrophobicContact CB-CB 4.48Å; V116-A238 HydrophobicContact CG1-CB 4.44Å; L117-A238 HydrophobicContact CD1-CB 4.21Å; L117-A238 HydrophobicContact CD2-CB 3.95Å; L117-A238 HydrophobicContact CG-CB 3.79Å; A234-A238 VanDerWaalsContact O-CB 3.24Å; A234-A238 WeakPolarHBondContact O-CB 3.02Å; A234-A238 PolarHBondContact O-N 3.48Å; W235-A238 PolarHBondContact O-N 2.8Å; A238-K241 PolarHBondContact O-N 2.82Å; A238-A242 WeakPolarHBondContact O-CB 3.49Å; A238-A242 PolarHBondContact O-N 3.25Å
239M95.9Very high89.3Confident3 Ų345.2 Ų45.22%0.01522%0.215CC..Hα-helixtrans-69.4-38.3-179.5-171.961.3-174.700111.1L117 L140 I159 I162 M202 W235 L236 V237 K241 A242 A243L117-M239 HydrophobicContact CD2-CB 3.78Å; L117-M239 HydrophobicContact CD2-CG 4.49Å; L117-M239 HydrophobicContact CD2-SD 4.03Å; L140-M239 HydrophobicContact CD2-CE 4.44Å; L140-M239 HydrophobicContact CD2-SD 4.24Å; I159-M239 HydrophobicContact CD1-CE 4.42Å; I162-M239 HydrophobicContact CD1-CE 4.25Å; M202-M239 HydrophobicContact CE-CB 3.96Å; M202-M239 HydrophobicContact CE-CG 4.29Å; M202-M239 HydrophobicContact SD-CB 4.02Å; M202-M239 HydrophobicContact SD-CG 3.75Å; W235-M239 HydrophobicContact CE3-CB 4.04Å; W235-M239 HydrophobicContact CH2-CB 4.09Å; W235-M239 HydrophobicContact CH2-CG 3.89Å; W235-M239 HydrophobicContact CH2-SD 4.22Å; W235-M239 HydrophobicContact CZ3-CB 3.72Å; W235-M239 HydrophobicContact CZ3-CG 3.88Å; W235-M239 WeakPolarHBondContact O-CB 3.5Å; W235-M239 PolarHBondContact O-N 3.15Å; L236-M239 PolarHBondContact O-N 3.48Å; V237-M239 VanDerWaalsContact C-N 3.34Å; V237-M239 PolarHBondContact O-N 2.55Å; M239-K241 PolarHBondContact O-N 2.8Å; M239-A242 WeakPolarHBondContact O-CB 3.23Å; M239-A242 PolarHBondContact O-N 3.29Å; M239-A242 HydrophobicContact SD-CB 4.43Å; M239-A243 PolarHBondContact O-N 3.3Å
240H93Very high88.6Confident37 Ų3750.4 Ų50.417%0.17123%0.234CC..Hα-helixtrans-63.5-40.3172.8-177.159.4000112M202 L236 V237 A243 K244M202-H240 HydrophobicContact CE-CB 4.08Å; L236-H240 PolarHBondContact O-N 3.16Å; V237-H240 PolarHBondContact O-N 3.11Å; H240-A243 PolarHBondContact O-N 3.17Å; H240-K244 WeakPolarHBondContact NE2-CE 3.28Å; H240-K244 PolarHBondContact NE2-NZ 2.75Å; H240-K244 PolarHBondContact O-N 3.3Å
241K92.1Very high87.1Confident88 Ų8846.5 Ų46.538%0.38323%0.227SC..Hα-helixtrans-64.5-38.2172.4-72.2179.3178.6-173.90112.3F109 Q113 V237 A238 M239 K244 L245F109-K241 HydrophobicContact CD2-CB 4.32Å; Q113-K241 HydrophobicContact CG-CD 4.13Å; V237-K241 HydrophobicContact CG1-CD 4.47Å; V237-K241 WeakPolarHBondContact O-CG 3.39Å; V237-K241 PolarHBondContact O-N 2.91Å; A238-K241 PolarHBondContact O-N 2.82Å; M239-K241 PolarHBondContact O-N 2.8Å; K241-K244 PolarHBondContact O-N 3.3Å; K241-L245 PolarHBondContact O-N 3.34Å
242A92.9Very high85.3Confident1 Ų150.4 Ų50.41%0.00825%0.245CC..Hα-helixtrans-61.7-45.3175.700000111.3F34 F109 L117 A238 M239 K244 L245 L246F34-A242 HydrophobicContact CE1-CB 3.79Å; F34-A242 WeakPolarHBondContact CE1-O 3.17Å; F34-A242 HydrophobicContact CZ-CB 3.89Å; F109-A242 HydrophobicContact CE2-CB 3.65Å; F109-A242 HydrophobicContact CZ-CB 3.67Å; L117-A242 HydrophobicContact CD1-CB 3.91Å; A238-A242 WeakPolarHBondContact O-CB 3.49Å; A238-A242 PolarHBondContact O-N 3.25Å; M239-A242 WeakPolarHBondContact O-CB 3.23Å; M239-A242 PolarHBondContact O-N 3.29Å; M239-A242 HydrophobicContact SD-CB 4.43Å; A242-K244 VanDerWaalsContact C-N 3.28Å; A242-K244 PolarHBondContact O-N 2.75Å; A242-L245 PolarHBondContact O-N 2.99Å; A242-L245 VanDerWaalsContact O-N 3.16Å; A242-L246 WeakPolarHBondContact O-CG 3.11Å; A242-L246 PolarHBondContact O-N 2.74Å
243A91.2Very high84.9Confident21 Ų2152.9 Ų52.917%0.17426%0.257CS..Hα-helixtrans-57.5-40.3176.700000112.4V165 M239 H240 L246 Y247V165-A243 HydrophobicContact CB-CB 3.76Å; V165-A243 HydrophobicContact CG1-CB 3.99Å; V165-A243 HydrophobicContact CG2-CB 3.67Å; M239-A243 PolarHBondContact O-N 3.3Å; H240-A243 PolarHBondContact O-N 3.17Å; A243-L246 PolarHBondContact O-N 3.21Å; A243-Y247 PolarHBondContact O-N 2.84Å
244K86.3Confident84.4Confident95 Ų9553.5 Ų53.541%0.41326%0.258SS..Hα-helixtrans-61.5-46.6174.9-68.5-177.6-178.51790112.4H240 K241 A242 L246 Y247 E248H240-K244 WeakPolarHBondContact NE2-CE 3.28Å; H240-K244 PolarHBondContact NE2-NZ 2.75Å; H240-K244 PolarHBondContact O-N 3.3Å; K241-K244 PolarHBondContact O-N 3.3Å; A242-K244 VanDerWaalsContact C-N 3.28Å; A242-K244 PolarHBondContact O-N 2.75Å; K244-L246 VanDerWaalsContact C-N 3.29Å; K244-L246 PolarHBondContact O-N 2.96Å; K244-Y247 PolarHBondContact O-N 3.04Å; K244-E248 WeakPolarHBondContact O-CG 3.3Å; K244-E248 PolarHBondContact O-N 3.11Å
245L86.2Confident83.9Confident17 Ų1754.3 Ų54.39%0.08925%0.254CS..Hα-helixtrans-62.7-35.4178-79.2171.3000113.2F34 R86 E106 F109 K241 A242 S249F34-L245 HydrophobicContact CD1-CB 4.3Å; R86-L245 PolarHBondContact NH2-O 2.66Å; E106-L245 HydrophobicContact CG-CD2 4.14Å; F109-L245 HydrophobicContact CB-CD1 3.7Å; F109-L245 HydrophobicContact CD1-CD1 3.31Å; F109-L245 HydrophobicContact CD2-CD1 3.58Å; F109-L245 HydrophobicContact CE1-CD1 3.76Å; F109-L245 HydrophobicContact CE2-CD1 4.01Å; F109-L245 HydrophobicContact CG-CD1 3.22Å; F109-L245 HydrophobicContact CZ-CD1 4.08Å; K241-L245 PolarHBondContact O-N 3.34Å; A242-L245 PolarHBondContact O-N 2.99Å; A242-L245 VanDerWaalsContact O-N 3.16Å; L245-S249 PolarHBondContact O-N 2.84Å; L245-S249 VanDerWaalsContact O-N 3.13Å
246L85.8Confident83.2Confident27 Ų2757.5 Ų57.514%0.14127%0.269CS..Hα-helixtrans-66.8-42.9175.4-71.1166000111.4P33 F34 I159 A242 A243 K244 S249 R250P33-L246 HydrophobicContact CB-CD2 3.77Å; P33-L246 HydrophobicContact CG-CD2 4.01Å; P33-L246 WeakPolarHBondContact O-CD2 3.33Å; F34-L246 HydrophobicContact CD1-CD2 3.69Å; F34-L246 HydrophobicContact CD1-CG 3.81Å; F34-L246 HydrophobicContact CD2-CD2 4.28Å; F34-L246 HydrophobicContact CE1-CD1 3.81Å; F34-L246 HydrophobicContact CE1-CD2 3.69Å; F34-L246 HydrophobicContact CE1-CG 3.41Å; F34-L246 VanDerWaalsContact CE1-CG 3.41Å; F34-L246 HydrophobicContact CE2-CD2 4.23Å; F34-L246 HydrophobicContact CG-CD2 4.01Å; F34-L246 HydrophobicContact CZ-CD1 3.77Å; F34-L246 HydrophobicContact CZ-CD2 3.96Å; F34-L246 HydrophobicContact CZ-CG 3.85Å; I159-L246 HydrophobicContact CG2-CD1 3.31Å; I159-L246 HydrophobicContact CG2-CD2 4.22Å; I159-L246 HydrophobicContact CG2-CG 4.41Å; A242-L246 WeakPolarHBondContact O-CG 3.11Å; A242-L246 PolarHBondContact O-N 2.74Å; A243-L246 PolarHBondContact O-N 3.21Å; K244-L246 VanDerWaalsContact C-N 3.29Å; K244-L246 PolarHBondContact O-N 2.96Å; L246-S249 WeakPolarHBondContact O-CB 3.24Å; L246-S249 PolarHBondContact O-N 2.98Å; L246-R250 WeakPolarHBondContact O-CG 3.47Å; L246-R250 PolarHBondContact O-N 2.77Å
247Y81.1Confident82.4Confident74 Ų7461.1 Ų61.129%0.2929%0.286SS..Hα-helixtrans-62-49.7176.7-177-91.4000111.4L185 A243 K244 S249 R250 D251L185-Y247 HydrophobicContact CB-CE1 4.22Å; L185-Y247 HydrophobicContact CB-CE2 4.4Å; L185-Y247 WeakPolarHBondContact CB-OH 3.26Å; L185-Y247 HydrophobicContact CD1-CD2 4.39Å; L185-Y247 HydrophobicContact CD1-CE2 3.39Å; L185-Y247 WeakPolarHBondContact CD1-OH 3.37Å; L185-Y247 HydrophobicContact CD2-CD1 3.82Å; L185-Y247 HydrophobicContact CD2-CD2 3.55Å; L185-Y247 HydrophobicContact CD2-CE1 3.5Å; L185-Y247 HydrophobicContact CD2-CE2 3.19Å; L185-Y247 HydrophobicContact CD2-CG 3.87Å; L185-Y247 HydrophobicContact CG-CE1 4.28Å; L185-Y247 HydrophobicContact CG-CE2 3.75Å; A243-Y247 PolarHBondContact O-N 2.84Å; K244-Y247 PolarHBondContact O-N 3.04Å; Y247-S249 PolarHBondContact O-N 3.23Å; Y247-S249 VanDerWaalsContact O-N 3.09Å; Y247-R250 PolarHBondContact O-N 2.89Å; Y247-D251 WeakPolarHBondContact CE1-OD2 3.5Å; Y247-D251 PolarHBondContact O-N 3.36Å; Y247-D251 PolarHBondContact OH-OD1 3.48Å; Y247-D251 PolarHBondContact OH-OD2 3.27Å
248E75.1Confident81.7Confident97 Ų9761.7 Ų61.745%0.45328%0.284SS..Hα-helixtrans-59.4-23.4175.6-69.7173.6-178.400113.5K244 Q252K244-E248 WeakPolarHBondContact O-CG 3.3Å; K244-E248 PolarHBondContact O-N 3.11Å; E248-Q252 PolarHBondContact O-NE2 2.93Å
249S70.5Confident80.7Confident18 Ų1866.1 Ų66.113%0.12631%0.305CS..Hα-helixtrans-74.7-30.4174.7-151.60000113.7L36 R86 L245 L246 Y247L36-S249 VanDerWaalsContact CD2-OG 3.24Å; L36-S249 WeakPolarHBondContact CD2-OG 3.35Å; R86-S249 PolarHBondContact NH2-OG 3.2Å; L245-S249 PolarHBondContact O-N 2.84Å; L245-S249 VanDerWaalsContact O-N 3.13Å; L246-S249 WeakPolarHBondContact O-CB 3.24Å; L246-S249 PolarHBondContact O-N 2.98Å; Y247-S249 PolarHBondContact O-N 3.23Å; Y247-S249 VanDerWaalsContact O-N 3.09Å
250R69Low79.5Confident179 Ų17971 Ų7168%0.67533%0.327SS*.Hα-helixtrans-82.7-24.6-174.1-69171.271.2173.13.4111.9L246 Y247L246-R250 WeakPolarHBondContact O-CG 3.47Å; L246-R250 PolarHBondContact O-N 2.77Å; Y247-R250 PolarHBondContact O-N 2.89Å
251D58.2Low78.4Confident105 Ų10573.8 Ų73.856%0.56134%0.34SS*.  trans-88.41.2-179.8-75.72.3000113.7Y247Y247-D251 WeakPolarHBondContact CE1-OD2 3.5Å; Y247-D251 PolarHBondContact O-N 3.36Å; Y247-D251 PolarHBondContact OH-OD1 3.48Å; Y247-D251 PolarHBondContact OH-OD2 3.27Å
252Q52.3Low77.1Confident164 Ų16472.5 Ų72.577%0.76634%0.336SS*.  trans-102.90177.2-73.5175.726.700111.7E248E248-Q252 PolarHBondContact O-NE2 2.93Å

Retrieved 252 of 252 residues in 413.7 ms (Link to these results)

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