A0A077ZCF3_TRITR Loading...

ubiquitinyl hydrolase 1

AlphaFold DB , UniProt , Accession A0A077ZCF3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 179 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M67.8Low91.4Very high97 Ų9758.6 Ų58.648%0.47831%0.309SS..  01270176.9-175.1-7200106.5L3 I49 K51 P53 A57M1-L3 HydrophobicContact CG-CD2 4.48Å; M1-L3 HydrophobicContact SD-CD2 4.33Å; M1-I49 HydrophobicContact CE-CG2 4.24Å; M1-I49 HydrophobicContact SD-CG2 3.86Å; M1-K51 WeakPolarHBondContact CE-O 3.46Å; M1-P53 HydrophobicContact CB-CB 4.17Å; M1-P53 HydrophobicContact CB-CG 3.97Å; M1-A57 PolarHBondContact O-N 3.27Å
2D86.1Confident91.8Very high124 Ų12456.8 Ų56.866%0.66331%0.305SS*.EExtended strand (participates in β ladder)trans-99.8132.3176.353.5-66.4000109.9A57D2-A57 CarbonylContact C-O 3.58Å; D2-A57 VanDerWaalsContact CA-O 3.31Å; D2-A57 WeakPolarHBondContact CA-O 3.18Å; D2-A57 HydrophobicContact CB-CB 4.44Å
3L92.2Very high92Very high15 Ų1552.5 Ų52.58%0.07928%0.281CS..EExtended strand (participates in β ladder)trans-118.5120171-60.6176.3000108.3M1 L17 F20 I49 L56 A57 L58 H59M1-L3 HydrophobicContact CG-CD2 4.48Å; M1-L3 HydrophobicContact SD-CD2 4.33Å; L3-L17 HydrophobicContact CD1-CD2 3.9Å; L3-F20 HydrophobicContact CD2-CE1 4.04Å; L3-F20 HydrophobicContact CD2-CZ 4.1Å; L3-I49 HydrophobicContact CD1-CD1 3.81Å; L3-I49 HydrophobicContact CD1-CG1 4.26Å; L3-L56 HydrophobicContact CD1-CD1 4.09Å; L3-L56 HydrophobicContact CG-CD1 4.38Å; L3-A57 PolarHBondContact N-O 2.88Å; L3-L58 HydrophobicContact CB-CD2 3.76Å; L3-L58 HydrophobicContact CD1-CD2 3.94Å; L3-L58 HydrophobicContact CG-CD2 4.25Å; L3-L58 CarbonylContact O-C 3.55Å; L3-L58 WeakPolarHBondContact O-CA 3.46Å; L3-H59 PolarHBondContact O-N 2.9Å
4S95.4Very high92.1Very high40 Ų4051.3 Ų51.328%0.2828%0.277SS..EExtended strand (participates in β ladder)trans-94.3110.6172.1-65.80000109.2H59 K61S4-H59 WeakPolarHBondContact CA-O 3.3Å; S4-H59 WeakPolarHBondContact CB-ND1 3.37Å; S4-H59 PolarHBondContact OG-ND1 3.33Å; S4-K61 WeakPolarHBondContact O-CE 3.47Å
5V95.1Very high92.3Very high0 Ų051.6 Ų51.60%028%0.276CS..EExtended strand (participates in β ladder)trans-107.4141.3-177-62.10000111.3I13 C16 L17 F20 H59 L60 K61V5-I13 HydrophobicContact CG2-CD1 4.46Å; V5-C16 HydrophobicContact CB-CB 4.14Å; V5-C16 HydrophobicContact CG2-CB 4.02Å; V5-L17 HydrophobicContact CG1-CD2 3.84Å; V5-L17 HydrophobicContact CG1-CG 4.4Å; V5-F20 HydrophobicContact CG1-CB 4.19Å; V5-F20 HydrophobicContact CG1-CD2 4.43Å; V5-F20 HydrophobicContact CG1-CG 4.32Å; V5-H59 PolarHBondContact N-O 2.99Å; V5-L60 HydrophobicContact CG2-CD2 3.71Å; V5-K61 WeakPolarHBondContact O-CB 3.37Å; V5-K61 WeakPolarHBondContact O-CG 3.27Å; V5-K61 PolarHBondContact O-N 2.86Å
6D95.8Very high92.5Very high98 Ų9848.6 Ų48.652%0.52426%0.26SS..EExtended strand (participates in β ladder)trans-73.4134.3173.1-64.9-75.8000109.9C16 K61D6-C16 PolarHBondContact O-SG 3.28Å; D6-K61 VanDerWaalsContact OD1-CD 3.24Å; D6-K61 WeakPolarHBondContact OD1-CD 3.27Å; D6-K61 IonicContact OD1-NZ 2.66Å; D6-K61 PolarHBondContact OD1-NZ 3.07Å; D6-K61 IonicContact OD2-NZ 3.74Å; D6-K61 PolarHBondContact OD2-NZ 2.92Å
7V95.3Very high92.5Very high11 Ų1145.9 Ų45.97%0.06725%0.246CC..  trans-98.3147.4-178.6-65.30000111.6L60 K61 R62 L75 Y77 V79V7-L60 HydrophobicContact CG1-CB 3.8Å; V7-K61 WeakPolarHBondContact CG2-O 3.44Å; V7-R62 HydrophobicContact CG2-CG 4.28Å; V7-L75 HydrophobicContact CG2-CB 4.18Å; V7-L75 HydrophobicContact CG2-CD1 3.83Å; V7-Y77 HydrophobicContact CG2-CD2 4.25Å; V7-V79 HydrophobicContact CB-CG2 3.9Å; V7-V79 HydrophobicContact CG1-CG2 4.02Å
8Q93.5Very high92.5Very high88 Ų8851.2 Ų51.241%0.41126%0.262SS..  trans-129.4154.4177-70.7178.3-7.800109.5N10 T11 H15Q8-N10 PolarHBondContact O-N 3.19Å; Q8-T11 HydrophobicContact CB-CG2 3.55Å; Q8-T11 PolarHBondContact O-OG1 3.3Å; Q8-H15 PolarHBondContact OE1-NE2 3.25Å; Q8-H15 VanDerWaalsContact OE1-NE2 3.13Å
9Q93.6Very high92.5Very high63 Ų6353.8 Ų53.829%0.29427%0.272SS..THydrogen-bonded Turntrans-66132.2-178.6-175.661.71000111.4T11 Y77 V156 A157Q9-T11 VanDerWaalsContact C-N 3.32Å; Q9-T11 PolarHBondContact O-N 2.77Å; Q9-Y77 HydrophobicContact CB-CD1 4.39Å; Q9-Y77 HydrophobicContact CB-CD2 4.44Å; Q9-Y77 HydrophobicContact CB-CG 4.24Å; Q9-V156 PolarHBondContact NE2-O 2.75Å; Q9-A157 PolarHBondContact NE2-O 3.22Å
10N94.7Very high92.5Very high85 Ų8553.4 Ų53.446%0.45527%0.269SS..THydrogen-bonded Turntrans5838.5176-64.7-42.4000114.1Q8 R78 A157Q8-N10 PolarHBondContact O-N 3.19Å; N10-R78 VanDerWaalsContact CA-O 3.25Å; N10-R78 WeakPolarHBondContact CA-O 3.45Å; N10-R78 PolarHBondContact N-O 2.95Å; N10-A157 PolarHBondContact ND2-O 2.88Å; N10-A157 VanDerWaalsContact ND2-O 3.07Å; N10-A157 WeakPolarHBondContact OD1-CA 3.13Å; N10-A157 PolarHBondContact OD1-O 2.79Å
11T95.8Very high92.4Very high24 Ų2451 Ų5115%0.14726%0.257CS..EExtended strand (participates in β ladder)trans-113.6-174.1177.867.80000112.3Q8 Q9 R78 V79 L80Q8-T11 HydrophobicContact CB-CG2 3.55Å; Q8-T11 PolarHBondContact O-OG1 3.3Å; Q9-T11 VanDerWaalsContact C-N 3.32Å; Q9-T11 PolarHBondContact O-N 2.77Å; T11-R78 PolarHBondContact N-O 3.32Å; T11-V79 CarbonylContact O-C 3.58Å; T11-V79 VanDerWaalsContact O-CA 3.32Å; T11-V79 WeakPolarHBondContact O-CA 3.46Å; T11-L80 WeakPolarHBondContact O-CD1 3.26Å; T11-L80 PolarHBondContact O-N 2.82Å
12S96Very high93.6Very high37 Ų3748.2 Ų48.226%0.25925%0.25SC..EExtended strand (participates in β ladder)trans-120.7161.2174.369.20000111.7T14 H15 C16 L80S12-T14 PolarHBondContact O-N 3.5Å; S12-H15 WeakPolarHBondContact O-CA 3.42Å; S12-H15 VanDerWaalsContact O-CB 3.32Å; S12-H15 WeakPolarHBondContact O-CB 3.29Å; S12-H15 PolarHBondContact O-N 3.47Å; S12-H15 PolarHBondContact OG-N 3.49Å; S12-C16 PolarHBondContact O-N 3.18Å; S12-C16 PolarHBondContact O-SG 3.04Å; S12-L80 CarbonylContact C-O 3.59Å; S12-L80 WeakPolarHBondContact CA-O 3.47Å
13I95.1Very high94Very high0 Ų045.4 Ų45.40%024%0.237CC..Hα-helixtrans-60.8-33.9172.3-68.8-49.8000112.5V5 H15 C16 L17 L58 L60 V79 L80 F81 L172V5-I13 HydrophobicContact CG2-CD1 4.46Å; I13-H15 VanDerWaalsContact C-N 3.28Å; I13-H15 PolarHBondContact O-N 3.17Å; I13-C16 PolarHBondContact O-N 3.02Å; I13-L17 HydrophobicContact CG2-CD1 3.83Å; I13-L17 HydrophobicContact CG2-CG 4.24Å; I13-L17 WeakPolarHBondContact O-CB 3.44Å; I13-L17 VanDerWaalsContact O-CG 3.27Å; I13-L17 WeakPolarHBondContact O-CG 3.37Å; I13-L17 PolarHBondContact O-N 3.32Å; I13-L58 HydrophobicContact CG2-CD1 3.58Å; I13-L60 HydrophobicContact CD1-CD1 3.84Å; I13-L60 HydrophobicContact CD1-CD2 3.13Å; I13-L60 HydrophobicContact CD1-CG 4.13Å; I13-L60 HydrophobicContact CG1-CD2 4.24Å; I13-V79 HydrophobicContact CD1-CG1 3.47Å; I13-V79 VanDerWaalsContact CD1-CG1 3.47Å; I13-V79 HydrophobicContact CG1-CG1 4.02Å; I13-L80 PolarHBondContact N-O 2.91Å; I13-F81 HydrophobicContact CB-CB 4.32Å; I13-F81 HydrophobicContact CG1-CB 3.64Å; I13-L172 HydrophobicContact CD1-CD1 4.37Å; I13-L172 HydrophobicContact CG1-CD1 3.85Å
14T93.7Very high94.1Very high36 Ų3648.9 Ų48.922%0.22125%0.253CS..Hα-helixtrans-59.7-42.3171.8-50.40000111.1S12 R18 F88S12-T14 PolarHBondContact O-N 3.5Å; T14-R18 WeakPolarHBondContact O-CG 3.46Å; T14-R18 PolarHBondContact O-N 3.33Å; T14-R18 VanDerWaalsContact O-N 3.17Å; T14-F88 HydrophobicContact CG2-CD1 4.25Å; T14-F88 HydrophobicContact CG2-CE1 3.96Å
15H94.4Very high94.1Very high56 Ų5650.7 Ų50.726%0.25926%0.262SS..Hα-helixtrans-65.7-49.3174.5-17976.9000112Q8 S12 I13 L17 R18 E19Q8-H15 PolarHBondContact OE1-NE2 3.25Å; Q8-H15 VanDerWaalsContact OE1-NE2 3.13Å; S12-H15 WeakPolarHBondContact O-CA 3.42Å; S12-H15 VanDerWaalsContact O-CB 3.32Å; S12-H15 WeakPolarHBondContact O-CB 3.29Å; S12-H15 PolarHBondContact O-N 3.47Å; S12-H15 PolarHBondContact OG-N 3.49Å; I13-H15 VanDerWaalsContact C-N 3.28Å; I13-H15 PolarHBondContact O-N 3.17Å; H15-L17 VanDerWaalsContact C-N 3.27Å; H15-L17 PolarHBondContact O-N 3.35Å; H15-R18 WeakPolarHBondContact O-CA 3.37Å; H15-R18 WeakPolarHBondContact O-CB 3.41Å; H15-R18 PolarHBondContact O-N 3.11Å; H15-E19 IonicContact CE1-OE1 3.87Å; H15-E19 PolarHBondContact O-N 2.83Å
16C95Very high94.1Very high3 Ų352.3 Ų52.32%0.0227%0.27CS..Hα-helixtrans-57-40177.4-67.80000112.6V5 D6 S12 I13 R18 E19 F20V5-C16 HydrophobicContact CB-CB 4.14Å; V5-C16 HydrophobicContact CG2-CB 4.02Å; D6-C16 PolarHBondContact O-SG 3.28Å; S12-C16 PolarHBondContact O-N 3.18Å; S12-C16 PolarHBondContact O-SG 3.04Å; I13-C16 PolarHBondContact O-N 3.02Å; C16-R18 VanDerWaalsContact C-N 3.29Å; C16-R18 PolarHBondContact O-N 3.48Å; C16-E19 PolarHBondContact O-N 2.86Å; C16-F20 WeakPolarHBondContact O-CB 3.33Å; C16-F20 PolarHBondContact O-N 2.92Å
17L93Very high94Very high4 Ų449.7 Ų49.72%0.02126%0.259CS..Hα-helixtrans-66-31.4174.2-74.4166.5000112.1L3 V5 I13 H15 S21 L58 L85 L87 F88L3-L17 HydrophobicContact CD1-CD2 3.9Å; V5-L17 HydrophobicContact CG1-CD2 3.84Å; V5-L17 HydrophobicContact CG1-CG 4.4Å; I13-L17 HydrophobicContact CG2-CD1 3.83Å; I13-L17 HydrophobicContact CG2-CG 4.24Å; I13-L17 WeakPolarHBondContact O-CB 3.44Å; I13-L17 VanDerWaalsContact O-CG 3.27Å; I13-L17 WeakPolarHBondContact O-CG 3.37Å; I13-L17 PolarHBondContact O-N 3.32Å; H15-L17 VanDerWaalsContact C-N 3.27Å; H15-L17 PolarHBondContact O-N 3.35Å; L17-S21 WeakPolarHBondContact O-CB 3.07Å; L17-S21 PolarHBondContact O-N 3.12Å; L17-S21 VanDerWaalsContact O-N 3.11Å; L17-S21 PolarHBondContact O-OG 2.94Å; L17-L58 HydrophobicContact CD1-CD1 4.27Å; L17-L58 HydrophobicContact CD2-CD2 4.14Å; L17-L85 HydrophobicContact CD1-CD1 4.44Å; L17-L85 HydrophobicContact CD1-CD2 4.21Å; L17-L87 HydrophobicContact CD1-CD2 3.77Å; L17-F88 HydrophobicContact CB-CE1 4.03Å; L17-F88 HydrophobicContact CB-CZ 3.74Å
18R92.1Very high94Very high141 Ų14155 Ų5553%0.53229%0.288SS..Hα-helixtrans-69.1-45.3179-77.4175-173.7168.11.4109.5T14 H15 C16 S21 A22 F88T14-R18 WeakPolarHBondContact O-CG 3.46Å; T14-R18 PolarHBondContact O-N 3.33Å; T14-R18 VanDerWaalsContact O-N 3.17Å; H15-R18 WeakPolarHBondContact O-CA 3.37Å; H15-R18 WeakPolarHBondContact O-CB 3.41Å; H15-R18 PolarHBondContact O-N 3.11Å; C16-R18 VanDerWaalsContact C-N 3.29Å; C16-R18 PolarHBondContact O-N 3.48Å; R18-S21 CarbonylContact O-C 3.59Å; R18-S21 WeakPolarHBondContact O-CA 3.26Å; R18-S21 WeakPolarHBondContact O-CB 3.2Å; R18-S21 PolarHBondContact O-N 3.43Å; R18-A22 PolarHBondContact O-N 2.98Å; R18-F88 VanDerWaalsContact CA-CZ 3.5Å; R18-F88 HydrophobicContact CB-CE2 4.1Å; R18-F88 HydrophobicContact CB-CZ 3.92Å; R18-F88 HydrophobicContact CG-CD1 4.45Å; R18-F88 HydrophobicContact CG-CD2 4.14Å; R18-F88 HydrophobicContact CG-CE1 3.74Å; R18-F88 HydrophobicContact CG-CE2 3.38Å; R18-F88 HydrophobicContact CG-CZ 3.18Å; R18-F88 VanDerWaalsContact N-CZ 3.34Å
19E93.3Very high94Very high100 Ų10058.7 Ų58.747%0.46731%0.305SS..Hα-helixtrans-62.7-45.6175.6-64.3-53.4122.400111.7H15 C16 S21 A22H15-E19 IonicContact CE1-OE1 3.87Å; H15-E19 PolarHBondContact O-N 2.83Å; C16-E19 PolarHBondContact O-N 2.86Å; E19-S21 PolarHBondContact O-N 3.06Å; E19-S21 VanDerWaalsContact O-N 3.08Å; E19-A22 VanDerWaalsContact O-CB 3.27Å; E19-A22 WeakPolarHBondContact O-CB 3.5Å; E19-A22 PolarHBondContact O-N 2.67Å
20F92.2Very high94Very high46 Ų4662.6 Ų62.620%0.20232%0.323CS..Hα-helixtrans-55-31.4172.6177.9-94.4000112.6L3 V5 C16 M47L3-F20 HydrophobicContact CD2-CE1 4.04Å; L3-F20 HydrophobicContact CD2-CZ 4.1Å; V5-F20 HydrophobicContact CG1-CB 4.19Å; V5-F20 HydrophobicContact CG1-CD2 4.43Å; V5-F20 HydrophobicContact CG1-CG 4.32Å; C16-F20 WeakPolarHBondContact O-CB 3.33Å; C16-F20 PolarHBondContact O-N 2.92Å; F20-M47 HydrophobicContact CE1-CB 4.13Å; F20-M47 HydrophobicContact CE1-CE 4.28Å; F20-M47 HydrophobicContact CE2-CE 4.02Å; F20-M47 HydrophobicContact CE2-SD 4.14Å; F20-M47 HydrophobicContact CZ-CB 4.43Å; F20-M47 HydrophobicContact CZ-CE 3.5Å; F20-M47 HydrophobicContact CZ-SD 4.01Å
21S91.1Very high94.1Very high4 Ų461.9 Ų61.93%0.02832%0.316CS..THydrogen-bonded Turntrans-97.95.8-178.5-570000113L17 R18 E19 R46 N89L17-S21 WeakPolarHBondContact O-CB 3.07Å; L17-S21 PolarHBondContact O-N 3.12Å; L17-S21 VanDerWaalsContact O-N 3.11Å; L17-S21 PolarHBondContact O-OG 2.94Å; R18-S21 CarbonylContact O-C 3.59Å; R18-S21 WeakPolarHBondContact O-CA 3.26Å; R18-S21 WeakPolarHBondContact O-CB 3.2Å; R18-S21 PolarHBondContact O-N 3.43Å; E19-S21 PolarHBondContact O-N 3.06Å; E19-S21 VanDerWaalsContact O-N 3.08Å; S21-R46 WeakPolarHBondContact O-CG 3.27Å; S21-R46 VanDerWaalsContact O-CZ 3.28Å; S21-R46 PolarHBondContact O-NE 2.84Å; S21-R46 PolarHBondContact O-NH2 3.13Å; S21-N89 VanDerWaalsContact CB-CG 3.49Å; S21-N89 WeakPolarHBondContact CB-ND2 3.43Å; S21-N89 WeakPolarHBondContact OG-CB 3.36Å; S21-N89 PolarHBondContact OG-ND2 2.66Å
22A92.8Very high94Very high38 Ų3867.4 Ų67.431%0.31434%0.335SS..SBendtrans-72.3154.8-178.400000110.5R18 E19R18-A22 PolarHBondContact O-N 2.98Å; E19-A22 VanDerWaalsContact O-CB 3.27Å; E19-A22 WeakPolarHBondContact O-CB 3.5Å; E19-A22 PolarHBondContact O-N 2.67Å
23T93.7Very high94Very high64 Ų6471.2 Ų71.239%0.39334%0.344SS..PPolyproline II helixtrans-78.1121.9169.2-58.60000107.9Q44 K45 R46T23-Q44 HydrophobicContact CG2-CB 3.79Å; T23-Q44 HydrophobicContact CG2-CG 4.05Å; T23-K45 CarbonylContact C-O 3.53Å; T23-K45 WeakPolarHBondContact CA-O 3.42Å; T23-R46 WeakPolarHBondContact OG1-CD 3.18Å
24E93.9Very high94.1Very high89 Ų8972.7 Ų72.742%0.41635%0.354SS..EExtended strand (participates in β ladder)trans-101.2148.7169.368.3-173.9147.500110.2Q44 K45E24-Q44 WeakPolarHBondContact O-CA 3.02Å; E24-K45 HydrophobicContact CG-CB 3.83Å; E24-K45 HydrophobicContact CG-CG 4.25Å; E24-K45 PolarHBondContact N-O 3.09Å; E24-K45 PolarHBondContact O-N 2.95Å; E24-K45 VanDerWaalsContact OE1-CD 3.29Å; E24-K45 WeakPolarHBondContact OE1-CD 3.32Å; E24-K45 WeakPolarHBondContact OE1-CE 3.43Å; E24-K45 WeakPolarHBondContact OE1-CG 3.49Å; E24-K45 IonicContact OE1-NZ 3.75Å; E24-K45 PolarHBondContact OE1-NZ 2.82Å
25T96Very high94.2Very high77 Ų7777 Ų7747%0.47238%0.376SS..EExtended strand (participates in β ladder)trans-103.7113175-57.70000109.2C27 A43T25-C27 HydrophobicContact CG2-CB 4.46Å; T25-C27 PolarHBondContact O-N 3.47Å; T25-A43 CarbonylContact C-O 3.59Å
26L94.9Very high94.3Very high34 Ų3480.9 Ų80.918%0.17840%0.403CS..EExtended strand (participates in β ladder)trans-72102.2172.7-61.3-176.4000108.8H30 E42 A43 K45L26-H30 WeakPolarHBondContact CB-O 3.38Å; L26-E42 VanDerWaalsContact O-CA 3.27Å; L26-E42 WeakPolarHBondContact O-CA 3.09Å; L26-A43 HydrophobicContact CB-CB 4.39Å; L26-A43 WeakPolarHBondContact CB-O 3.45Å; L26-A43 HydrophobicContact CD1-CB 4.4Å; L26-A43 PolarHBondContact N-O 2.94Å; L26-A43 PolarHBondContact O-N 3.39Å; L26-K45 HydrophobicContact CD1-CB 4.14Å; L26-K45 HydrophobicContact CD1-CD 4.41Å; L26-K45 HydrophobicContact CG-CB 4.16Å
27C95Very high94.4Very high43 Ų4384.1 Ų84.129%0.29143%0.425SS..  trans-131.9175.1-177.859.70000111T25 E29 H30 E42T25-C27 HydrophobicContact CG2-CB 4.46Å; T25-C27 PolarHBondContact O-N 3.47Å; C27-E29 PolarHBondContact O-N 3.06Å; C27-H30 PolarHBondContact O-N 2.96Å; C27-E42 HydrophobicContact CB-CG 4.26Å
28N93.5Very high94.5Very high123 Ų12388.3 Ų88.366%0.65845%0.454SS*.G310 helixtrans51.7-123.4-179-56.7-33.9000112.8H30 K31N28-H30 PolarHBondContact O-N 3.08Å; N28-K31 VanDerWaalsContact O-CG 3.29Å; N28-K31 WeakPolarHBondContact O-CG 3.42Å; N28-K31 PolarHBondContact O-N 2.92Å
29E94.1Very high94.7Very high165 Ų16583.7 Ų83.777%0.77144%0.443SS*.G310 helixtrans-69.5-21-178.1-57.3-172.3175.500112.9C27C27-E29 PolarHBondContact O-N 3.06Å
30H94.3Very high94.9Very high146 Ų14684.9 Ų84.968%0.67645%0.447SS*.G310 helixtrans-93.48-177.3-56.7-62.1000114.2L26 C27 N28L26-H30 WeakPolarHBondContact CB-O 3.38Å; C27-H30 PolarHBondContact O-N 2.96Å; N28-H30 PolarHBondContact O-N 3.08Å
31K95.7Very high95.1Very high70 Ų7086.4 Ų86.430%0.30446%0.455SS..PPolyproline II helixtrans-53.2143.4177.3-78.1179.2-174.2-168.10112.6N28 K40 Q41 E42N28-K31 VanDerWaalsContact O-CG 3.29Å; N28-K31 WeakPolarHBondContact O-CG 3.42Å; N28-K31 PolarHBondContact O-N 2.92Å; K31-K40 HydrophobicContact CB-CB 3.77Å; K31-K40 HydrophobicContact CB-CD 4.33Å; K31-K40 HydrophobicContact CB-CG 4.39Å; K31-K40 HydrophobicContact CD-CB 4.41Å; K31-Q41 CarbonylContact C-O 3.54Å; K31-Q41 WeakPolarHBondContact CA-O 3.28Å; K31-Q41 VanDerWaalsContact CB-O 3.27Å; K31-Q41 WeakPolarHBondContact CB-O 3.43Å; K31-E42 HydrophobicContact CD-CG 4.27Å; K31-E42 HydrophobicContact CG-CG 4.19Å; K31-E42 IonicContact NZ-OE1 2.93Å
32Y94.8Very high95.4Very high139 Ų13991.8 Ų91.855%0.54548%0.479SS..EExtended strand (participates in β ladder)trans-80137.3178.4178.8-103.9000110.9C34 K40 Q41 A43Y32-C34 PolarHBondContact O-N 2.67Å; Y32-K40 CarbonylContact O-C 3.47Å; Y32-K40 WeakPolarHBondContact O-CA 3.29Å; Y32-Q41 PolarHBondContact N-O 2.78Å; Y32-Q41 PolarHBondContact O-N 2.82Å; Y32-A43 HydrophobicContact CG-CB 4.38Å
33Y96.3Very high95.6Very high117 Ų11791.3 Ų91.346%0.45948%0.475SS..EExtended strand (participates in β ladder)trans-80.6119.7175.8-172.7-91.2000110.3D35Y33-D35 WeakPolarHBondContact CE1-OD1 3.34Å
34C96.5Very high95.7Very high31 Ų3195.7 Ų95.721%0.20949%0.491CS..EExtended strand (participates in β ladder)trans-98.5119.3177.7178.50000110.3Y32 V36 C37 C38 S39 Q41Y32-C34 PolarHBondContact O-N 2.67Å; C34-V36 VanDerWaalsContact C-N 3.26Å; C34-V36 PolarHBondContact O-N 2.73Å; C34-C37 HydrophobicContact CB-CB 4.08Å; C34-C37 PolarHBondContact O-N 3.06Å; C34-C37 VanDerWaalsContact SG-SG 3.69Å; C34-C38 WeakPolarHBondContact O-CA 3.34Å; C34-C38 PolarHBondContact O-N 2.95Å; C34-S39 PolarHBondContact N-O 3.17Å; C34-S39 PolarHBondContact O-N 3.45Å; C34-Q41 HydrophobicContact CB-CB 4.46Å; C34-Q41 HydrophobicContact CB-CG 3.9Å
35D96.2Very high95.7Very high127 Ų12795.9 Ų95.968%0.67949%0.49SS*.THydrogen-bonded Turntrans-66-26-179.8-62.3-35.7000113.4Y33Y33-D35 WeakPolarHBondContact CE1-OD1 3.34Å
36V96.8Very high95.5Very high137 Ų13797.8 Ų97.883%0.8349%0.489SS*.THydrogen-bonded Turntrans-77.3-39.1177.2-179.20000111.5C34 C38C34-V36 VanDerWaalsContact C-N 3.26Å; C34-V36 PolarHBondContact O-N 2.73Å; V36-C38 VanDerWaalsContact C-N 3.35Å
37C95.3Very high95.3Very high71 Ų71100.2 Ų100.248%0.4850%0.501SS..THydrogen-bonded Turntrans-87.5-7179.4-58.40000112.8C34 S39 Q41C34-C37 HydrophobicContact CB-CB 4.08Å; C34-C37 PolarHBondContact O-N 3.06Å; C34-C37 VanDerWaalsContact SG-SG 3.69Å; C37-S39 WeakPolarHBondContact CB-OG 3.32Å; C37-S39 PolarHBondContact O-N 3.11Å; C37-S39 VanDerWaalsContact O-N 3.07Å; C37-S39 PolarHBondContact O-OG 2.64Å; C37-Q41 HydrophobicContact CB-CG 4.25Å
38C96.3Very high94.9Very high93 Ų93104.7 Ų104.763%0.62851%0.511SS*.THydrogen-bonded Turntrans46.136.4-172-62.80000113.5C34 V36C34-C38 WeakPolarHBondContact O-CA 3.34Å; C34-C38 PolarHBondContact O-N 2.95Å; V36-C38 VanDerWaalsContact C-N 3.35Å
39S96.9Very high94.5Very high44 Ų4499.4 Ų99.431%0.30848%0.483SS..EExtended strand (participates in β ladder)trans-158.1161.8-172.453.50000112.3C34 C37 Q41C34-S39 PolarHBondContact N-O 3.17Å; C34-S39 PolarHBondContact O-N 3.45Å; C37-S39 WeakPolarHBondContact CB-OG 3.32Å; C37-S39 PolarHBondContact O-N 3.11Å; C37-S39 VanDerWaalsContact O-N 3.07Å; C37-S39 PolarHBondContact O-OG 2.64Å; S39-Q41 PolarHBondContact O-N 3.18Å; S39-Q41 PolarHBondContact OG-NE2 3.07Å
40K96.9Very high94Very high124 Ų12499.9 Ų99.954%0.53948%0.483SS..EExtended strand (participates in β ladder)trans-74.7120.7175.9-79.8-169.4178.7-172.50110.9K31 Y32K31-K40 HydrophobicContact CB-CB 3.77Å; K31-K40 HydrophobicContact CB-CD 4.33Å; K31-K40 HydrophobicContact CB-CG 4.39Å; K31-K40 HydrophobicContact CD-CB 4.41Å; Y32-K40 CarbonylContact O-C 3.47Å; Y32-K40 WeakPolarHBondContact O-CA 3.29Å
41Q97.1Very high93.5Very high79 Ų7998 Ų9837%0.36947%0.472SS..EExtended strand (participates in β ladder)trans-117.9153.8-177.6-61.7-58-32.200111.4K31 Y32 C34 C37 S39K31-Q41 CarbonylContact C-O 3.54Å; K31-Q41 WeakPolarHBondContact CA-O 3.28Å; K31-Q41 VanDerWaalsContact CB-O 3.27Å; K31-Q41 WeakPolarHBondContact CB-O 3.43Å; Y32-Q41 PolarHBondContact N-O 2.78Å; Y32-Q41 PolarHBondContact O-N 2.82Å; C34-Q41 HydrophobicContact CB-CB 4.46Å; C34-Q41 HydrophobicContact CB-CG 3.9Å; C37-Q41 HydrophobicContact CB-CG 4.25Å; S39-Q41 PolarHBondContact O-N 3.18Å; S39-Q41 PolarHBondContact OG-NE2 3.07Å
42E96.8Very high93Very high117 Ų11795 Ų9555%0.54746%0.459SS..  trans-69.1140168-64.9-176.3177.700109.8L26 C27 K31L26-E42 VanDerWaalsContact O-CA 3.27Å; L26-E42 WeakPolarHBondContact O-CA 3.09Å; C27-E42 HydrophobicContact CB-CG 4.26Å; K31-E42 HydrophobicContact CD-CG 4.27Å; K31-E42 HydrophobicContact CG-CG 4.19Å; K31-E42 IonicContact NZ-OE1 2.93Å
43A96Very high92.7Very high27 Ų2789.4 Ų89.422%0.22344%0.44CS..EExtended strand (participates in β ladder)trans-144.6149.3-178.200000110.9T25 L26 Y32T25-A43 CarbonylContact C-O 3.59Å; L26-A43 HydrophobicContact CB-CB 4.39Å; L26-A43 WeakPolarHBondContact CB-O 3.45Å; L26-A43 HydrophobicContact CD1-CB 4.4Å; L26-A43 PolarHBondContact N-O 2.94Å; L26-A43 PolarHBondContact O-N 3.39Å; Y32-A43 HydrophobicContact CG-CB 4.38Å
44Q95.8Very high92.5Very high156 Ų15688.5 Ų88.573%0.72944%0.443SS*.EExtended strand (participates in β ladder)trans-94.2129.1171.3-70.9-174.4-2700109.8T23 E24T23-Q44 HydrophobicContact CG2-CB 3.79Å; T23-Q44 HydrophobicContact CG2-CG 4.05Å; E24-Q44 WeakPolarHBondContact O-CA 3.02Å
45K94.1Very high92.4Very high93 Ų9390.2 Ų90.240%0.40445%0.449SS..EExtended strand (participates in β ladder)trans-117.8140.9176172.2171.7166.2-105.40109.3T23 E24 L26T23-K45 CarbonylContact C-O 3.53Å; T23-K45 WeakPolarHBondContact CA-O 3.42Å; E24-K45 HydrophobicContact CG-CB 3.83Å; E24-K45 HydrophobicContact CG-CG 4.25Å; E24-K45 PolarHBondContact N-O 3.09Å; E24-K45 PolarHBondContact O-N 2.95Å; E24-K45 VanDerWaalsContact OE1-CD 3.29Å; E24-K45 WeakPolarHBondContact OE1-CD 3.32Å; E24-K45 WeakPolarHBondContact OE1-CE 3.43Å; E24-K45 WeakPolarHBondContact OE1-CG 3.49Å; E24-K45 IonicContact OE1-NZ 3.75Å; E24-K45 PolarHBondContact OE1-NZ 2.82Å; L26-K45 HydrophobicContact CD1-CB 4.14Å; L26-K45 HydrophobicContact CD1-CD 4.41Å; L26-K45 HydrophobicContact CG-CB 4.16Å
46R92.6Very high92.3Very high118 Ų11884.2 Ų84.245%0.44542%0.417SS..  trans-150138.6176.4-170.4175.9-164157.714.1110.1S21 T23S21-R46 WeakPolarHBondContact O-CG 3.27Å; S21-R46 VanDerWaalsContact O-CZ 3.28Å; S21-R46 PolarHBondContact O-NE 2.84Å; S21-R46 PolarHBondContact O-NH2 3.13Å; T23-R46 WeakPolarHBondContact OG1-CD 3.18Å
47M90.8Very high92.3Very high85 Ų8578.6 Ų78.642%0.41939%0.385SS..  trans-98141.3176.2-62.2-17869.700110.6F20 N89F20-M47 HydrophobicContact CE1-CB 4.13Å; F20-M47 HydrophobicContact CE1-CE 4.28Å; F20-M47 HydrophobicContact CE2-CE 4.02Å; F20-M47 HydrophobicContact CE2-SD 4.14Å; F20-M47 HydrophobicContact CZ-CB 4.43Å; F20-M47 HydrophobicContact CZ-CE 3.5Å; F20-M47 HydrophobicContact CZ-SD 4.01Å; M47-N89 PolarHBondContact O-ND2 3.27Å
48R87Confident92.3Very high137 Ų13775.2 Ų75.252%0.51736%0.362SS..  trans-141.3151.6177.4-60.2-161171.6168.9-0.1112.6K50 N89R48-K50 PolarHBondContact O-N 3.18Å; R48-N89 VanDerWaalsContact CA-ND2 3.34Å; R48-N89 WeakPolarHBondContact CA-ND2 3.26Å; R48-N89 WeakPolarHBondContact CG-OD1 3.35Å
49I85.2Confident92.4Very high12 Ų1272.9 Ų72.96%0.06234%0.342CS..BIsolated β-bridgetrans-80.7114.5175.5-57171.9000108.2M1 L3 K51 L52 L87 N89 R91M1-I49 HydrophobicContact CE-CG2 4.24Å; M1-I49 HydrophobicContact SD-CG2 3.86Å; L3-I49 HydrophobicContact CD1-CD1 3.81Å; L3-I49 HydrophobicContact CD1-CG1 4.26Å; I49-K51 WeakPolarHBondContact CG2-O 3.32Å; I49-L52 HydrophobicContact CG2-CD2 4.02Å; I49-L87 HydrophobicContact CD1-CD1 3.81Å; I49-L87 HydrophobicContact CD1-CD2 4.41Å; I49-N89 PolarHBondContact N-O 2.81Å; I49-R91 PolarHBondContact O-N 2.81Å
50K82.6Confident92.4Very high175 Ų17570.8 Ų70.876%0.76133%0.327SS*.SBendtrans-74.5-42179.8-175.5179.8178.1-177.30112.5R48R48-K50 PolarHBondContact O-N 3.18Å
51K83.4Confident92.4Very high106 Ų10668.3 Ų68.346%0.46132%0.317SS..SBendtrans-137131.8179.9-179.6170.4-175.4150.20109.4M1 I49 D98M1-K51 WeakPolarHBondContact CE-O 3.46Å; I49-K51 WeakPolarHBondContact CG2-O 3.32Å; K51-D98 WeakPolarHBondContact CD-OD2 3.31Å; K51-D98 WeakPolarHBondContact CE-OD2 3.43Å; K51-D98 IonicContact NZ-OD1 2.65Å; K51-D98 PolarHBondContact NZ-OD1 2.8Å; K51-D98 IonicContact NZ-OD2 2.64Å; K51-D98 PolarHBondContact NZ-OD2 2.9Å
52L85.3Confident92.3Very high6 Ų664.6 Ų64.63%0.03130%0.299CS..  trans-77.9121.3174.4-77.9-172.8000110.6I49 L87 T90 V100 R104 Y106I49-L52 HydrophobicContact CG2-CD2 4.02Å; L52-L87 HydrophobicContact CD2-CB 4.28Å; L52-L87 HydrophobicContact CD2-CD1 3.33Å; L52-L87 HydrophobicContact CD2-CG 4.41Å; L52-T90 HydrophobicContact CD1-CG2 3.86Å; L52-T90 HydrophobicContact CD2-CG2 3.72Å; L52-T90 HydrophobicContact CG-CG2 3.76Å; L52-V100 HydrophobicContact CB-CG1 3.83Å; L52-V100 HydrophobicContact CD1-CG1 3.24Å; L52-V100 HydrophobicContact CG-CG1 3.25Å; L52-R104 HydrophobicContact CD1-CB 3.63Å; L52-R104 HydrophobicContact CD1-CG 4.19Å; L52-R104 PolarHBondContact O-NH1 3.26Å; L52-R104 VanDerWaalsContact O-NH1 3.12Å; L52-Y106 WeakPolarHBondContact CB-OH 3.27Å; L52-Y106 HydrophobicContact CD1-CE2 4.35Å; L52-Y106 HydrophobicContact CD2-CE2 4.29Å
53P89.4Confident92.2Very high23 Ų2360.8 Ų60.815%0.14928%0.281CS..  trans-76.9160.6178.636.8-40.7000111.7M1 I55 L56 Y106M1-P53 HydrophobicContact CB-CB 4.17Å; M1-P53 HydrophobicContact CB-CG 3.97Å; P53-I55 VanDerWaalsContact CB-O 3.29Å; P53-I55 WeakPolarHBondContact CB-O 3.35Å; P53-I55 WeakPolarHBondContact CG-O 3.42Å; P53-L56 HydrophobicContact CG-CB 4.13Å; P53-L56 HydrophobicContact CG-CD1 4.27Å; P53-Y106 WeakPolarHBondContact O-CE1 3.35Å; P53-Y106 PolarHBondContact O-OH 2.91Å
54L91.3Very high92.1Very high97 Ų9765.2 Ų65.251%0.50830%0.295SS..SBendtrans-63.7-45168.5-179.965.1000110.9A176L54-A176 HydrophobicContact CD1-CB 4.35Å; L54-A176 WeakPolarHBondContact O-CB 3.46Å; L54-A176 PolarHBondContact O-N 2.87Å
55I94.3Very high92.1Very high68 Ų6862.3 Ų62.335%0.34928%0.278SS..EExtended strand (participates in β ladder)trans-113.5121.1173.7-53.2-60.4000109.4P53 F173 Y174 Q175P53-I55 VanDerWaalsContact CB-O 3.29Å; P53-I55 WeakPolarHBondContact CB-O 3.35Å; P53-I55 WeakPolarHBondContact CG-O 3.42Å; I55-F173 HydrophobicContact CG2-CD1 4.08Å; I55-Y174 CarbonylContact C-O 3.5Å; I55-Y174 WeakPolarHBondContact CA-O 3.38Å; I55-Q175 HydrophobicContact CD1-CB 3.69Å; I55-Q175 HydrophobicContact CD1-CG 3.67Å
56L94Very high91.9Very high0 Ų060.7 Ų60.70%027%0.273CS..EExtended strand (participates in β ladder)trans-98.1120.4173.7175.772.3000109L3 P53 L58 L85 L87 Y106 Y174L3-L56 HydrophobicContact CD1-CD1 4.09Å; L3-L56 HydrophobicContact CG-CD1 4.38Å; P53-L56 HydrophobicContact CG-CB 4.13Å; P53-L56 HydrophobicContact CG-CD1 4.27Å; L56-L58 HydrophobicContact CD1-CD2 3.92Å; L56-L58 HydrophobicContact CD2-CD1 4.04Å; L56-L58 HydrophobicContact CD2-CD2 3.85Å; L56-L58 HydrophobicContact CD2-CG 3.92Å; L56-L58 HydrophobicContact CG-CD2 3.81Å; L56-L58 HydrophobicContact CG-CG 3.96Å; L56-L85 HydrophobicContact CD2-CD2 4.16Å; L56-L87 HydrophobicContact CD2-CD1 3.86Å; L56-L87 HydrophobicContact CD2-CD2 4.09Å; L56-L87 HydrophobicContact CD2-CG 4.35Å; L56-Y106 HydrophobicContact CB-CD1 4.01Å; L56-Y106 HydrophobicContact CB-CE1 3.78Å; L56-Y174 PolarHBondContact N-O 2.8Å; L56-Y174 PolarHBondContact O-N 3.35Å
57A97Very high92Very high19 Ų1963.1 Ų63.116%0.15729%0.289CS..EExtended strand (participates in β ladder)trans-100.3120.6170.800000109M1 D2 L3 L172 F173M1-A57 PolarHBondContact O-N 3.27Å; D2-A57 CarbonylContact C-O 3.58Å; D2-A57 VanDerWaalsContact CA-O 3.31Å; D2-A57 WeakPolarHBondContact CA-O 3.18Å; D2-A57 HydrophobicContact CB-CB 4.44Å; L3-A57 PolarHBondContact N-O 2.88Å; A57-L172 WeakPolarHBondContact CA-O 2.93Å; A57-F173 HydrophobicContact CB-CD1 4.04Å; A57-F173 HydrophobicContact CB-CE1 3.78Å
58L96.7Very high92.1Very high0 Ų066.7 Ų66.70%031%0.305CS..EExtended strand (participates in β ladder)trans-109.4109.6175.9-60.8-178.9000109L3 I13 L17 L56 L85 I171 L172 Y174L3-L58 HydrophobicContact CB-CD2 3.76Å; L3-L58 HydrophobicContact CD1-CD2 3.94Å; L3-L58 HydrophobicContact CG-CD2 4.25Å; L3-L58 CarbonylContact O-C 3.55Å; L3-L58 WeakPolarHBondContact O-CA 3.46Å; I13-L58 HydrophobicContact CG2-CD1 3.58Å; L17-L58 HydrophobicContact CD1-CD1 4.27Å; L17-L58 HydrophobicContact CD2-CD2 4.14Å; L56-L58 HydrophobicContact CD1-CD2 3.92Å; L56-L58 HydrophobicContact CD2-CD1 4.04Å; L56-L58 HydrophobicContact CD2-CD2 3.85Å; L56-L58 HydrophobicContact CD2-CG 3.92Å; L56-L58 HydrophobicContact CG-CD2 3.81Å; L56-L58 HydrophobicContact CG-CG 3.96Å; L58-L85 HydrophobicContact CD1-CD2 3.74Å; L58-I171 CarbonylContact O-C 3.55Å; L58-I171 WeakPolarHBondContact O-CA 3.5Å; L58-L172 HydrophobicContact CB-CB 4.26Å; L58-L172 PolarHBondContact N-O 3.48Å; L58-L172 PolarHBondContact O-N 2.9Å; L58-Y174 HydrophobicContact CD1-CD2 3.93Å; L58-Y174 HydrophobicContact CD1-CE2 3.92Å; L58-Y174 HydrophobicContact CG-CD2 4.39Å
59H97.5Very high92.3Very high44 Ų4465.1 Ų65.120%0.20430%0.302CS..EExtended strand (participates in β ladder)trans-88.7124.7173.1164-134.3000109.6L3 S4 V5 Y170 I171L3-H59 PolarHBondContact O-N 2.9Å; S4-H59 WeakPolarHBondContact CA-O 3.3Å; S4-H59 WeakPolarHBondContact CB-ND1 3.37Å; S4-H59 PolarHBondContact OG-ND1 3.33Å; V5-H59 PolarHBondContact N-O 2.99Å; H59-Y170 AromaticContact CD2-CE2 3.82Å; H59-Y170 AromaticContact CD2-CZ 3.86Å; H59-Y170 AromaticContact NE2-CE2 3.52Å; H59-Y170 AromaticContact NE2-CZ 3.58Å; H59-I171 HydrophobicContact CB-CG1 4.47Å
60L97.2Very high92.7Very high0 Ų070.3 Ų70.30%033%0.33CS..EExtended strand (participates in β ladder)trans-90.7110.1175.6-52.9-162.9000108V5 V7 I13 R62 Y170 L172V5-L60 HydrophobicContact CG2-CD2 3.71Å; V7-L60 HydrophobicContact CG1-CB 3.8Å; I13-L60 HydrophobicContact CD1-CD1 3.84Å; I13-L60 HydrophobicContact CD1-CD2 3.13Å; I13-L60 HydrophobicContact CD1-CG 4.13Å; I13-L60 HydrophobicContact CG1-CD2 4.24Å; L60-R62 HydrophobicContact CB-CG 4.1Å; L60-R62 PolarHBondContact O-N 2.98Å; L60-Y170 PolarHBondContact N-O 2.87Å; L60-L172 HydrophobicContact CD1-CD1 4.31Å; L60-L172 HydrophobicContact CD2-CD1 4.31Å
61K96.7Very high93.2Very high73 Ų7367.7 Ų67.732%0.31732%0.315SS..EExtended strand (participates in β ladder)trans-69.477.5-179.2-67.1176.2-178.8171.70111S4 V5 D6 V7 F63S4-K61 WeakPolarHBondContact O-CE 3.47Å; V5-K61 WeakPolarHBondContact O-CB 3.37Å; V5-K61 WeakPolarHBondContact O-CG 3.27Å; V5-K61 PolarHBondContact O-N 2.86Å; D6-K61 VanDerWaalsContact OD1-CD 3.24Å; D6-K61 WeakPolarHBondContact OD1-CD 3.27Å; D6-K61 IonicContact OD1-NZ 2.66Å; D6-K61 PolarHBondContact OD1-NZ 3.07Å; D6-K61 IonicContact OD2-NZ 3.74Å; D6-K61 PolarHBondContact OD2-NZ 2.92Å; V7-K61 WeakPolarHBondContact CG2-O 3.44Å; K61-F63 VanDerWaalsContact C-N 3.31Å; K61-F63 PolarHBondContact O-N 2.81Å
62R95.1Very high93.6Very high0 Ų068.9 Ų68.90%032%0.318CS..  trans-86.85.1-176.2-71-176.3178.9-84.99113.3V7 L60 K74 L75 Y77 F154 S168 G169V7-R62 HydrophobicContact CG2-CG 4.28Å; L60-R62 HydrophobicContact CB-CG 4.1Å; L60-R62 PolarHBondContact O-N 2.98Å; R62-K74 HydrophobicContact CB-CG 4.4Å; R62-K74 CarbonylContact O-C 3.43Å; R62-K74 WeakPolarHBondContact O-CA 3.33Å; R62-L75 PolarHBondContact NH1-O 3.24Å; R62-L75 PolarHBondContact O-N 2.85Å; R62-Y77 PolarHBondContact NH1-O 2.9Å; R62-F154 PolarHBondContact NH2-O 3.29Å; R62-S168 WeakPolarHBondContact CD-OG 3.36Å; R62-G169 PolarHBondContact NE-O 3.42Å; R62-G169 PolarHBondContact NH2-O 2.86Å
63F95Very high93.9Very high38 Ų3870.1 Ų70.117%0.16733%0.326CS..EExtended strand (participates in β ladder)trans-116.8122.1176-62.1-75.4000109.9K61 K74 H114 T118 P119 Y170K61-F63 VanDerWaalsContact C-N 3.31Å; K61-F63 PolarHBondContact O-N 2.81Å; F63-K74 HydrophobicContact CD1-CB 4.01Å; F63-K74 HydrophobicContact CD1-CG 4.36Å; F63-K74 HydrophobicContact CE1-CB 3.74Å; F63-K74 HydrophobicContact CE1-CD 4.33Å; F63-K74 HydrophobicContact CE1-CG 3.93Å; F63-K74 HydrophobicContact CZ-CG 4.44Å; F63-H114 AromaticContact CZ-CE1 3.55Å; F63-H114 AromaticContact CZ-ND1 3.69Å; F63-T118 VanDerWaalsContact CE1-C 3.49Å; F63-P119 HydrophobicContact CD1-CB 3.76Å; F63-P119 HydrophobicContact CD1-CG 4.06Å; F63-P119 HydrophobicContact CD2-CB 4.2Å; F63-P119 HydrophobicContact CE1-CB 3.91Å; F63-P119 HydrophobicContact CE1-CG 4.45Å; F63-P119 HydrophobicContact CE2-CB 4.33Å; F63-P119 HydrophobicContact CG-CB 3.9Å; F63-P119 HydrophobicContact CG-CG 4.43Å; F63-P119 HydrophobicContact CZ-CB 4.18Å; F63-Y170 HydrophobicContact CD2-CE2 4.04Å; F63-Y170 HydrophobicContact CE2-CD2 4.4Å; F63-Y170 AromaticContact CE2-CE2 3.68Å; F63-Y170 HydrophobicContact CE2-CE2 3.68Å
64K94Very high94.1Very high120 Ų12069.6 Ų69.652%0.52232%0.321SS..EExtended strand (participates in β ladder)trans-124.9136.9177.7-174.3176.5178.5-179.50109.3M66 Y72 T73 L75K64-M66 PolarHBondContact O-N 3.3Å; K64-Y72 WeakPolarHBondContact O-CA 3.41Å; K64-T73 PolarHBondContact N-O 2.72Å; K64-T73 VanDerWaalsContact N-O 3.09Å; K64-T73 PolarHBondContact O-N 2.84Å; K64-L75 HydrophobicContact CB-CD1 4.04Å; K64-L75 HydrophobicContact CB-CD2 4.02Å; K64-L75 HydrophobicContact CB-CG 4.13Å
65Y94.3Very high94.2Very high94 Ų9465.8 Ų65.837%0.36930%0.301SS..EExtended strand (participates in β ladder)trans-71.9125171.1-175-100.3000109.4E67 N70 Y72Y65-E67 HydrophobicContact CD1-CG 4.12Å; Y65-E67 HydrophobicContact CE1-CG 3.81Å; Y65-N70 PolarHBondContact OH-OD1 2.97Å; Y65-Y72 AromaticContact CD2-CD2 3.99Å; Y65-Y72 HydrophobicContact CD2-CD2 3.99Å; Y65-Y72 AromaticContact CD2-CE2 3.88Å; Y65-Y72 HydrophobicContact CD2-CE2 3.88Å; Y65-Y72 HydrophobicContact CD2-CG 4.37Å
66M91.2Very high94Very high60 Ų6064 Ų6430%0.29629%0.294SS..EExtended strand (participates in β ladder)trans-110.6104.6180-64.4-69.1-77.500108.3K64 Q68 F69 N70 R71K64-M66 PolarHBondContact O-N 3.3Å; M66-Q68 VanDerWaalsContact C-N 3.25Å; M66-Q68 PolarHBondContact O-N 3.12Å; M66-F69 HydrophobicContact CB-CD2 3.93Å; M66-F69 CarbonylContact O-C 3.59Å; M66-F69 PolarHBondContact O-N 3.07Å; M66-N70 PolarHBondContact O-N 3.42Å; M66-R71 PolarHBondContact N-O 2.88Å; M66-R71 PolarHBondContact O-N 3.39Å
67E93.7Very high94Very high168 Ų16867.2 Ų67.279%0.78531%0.307SS*.G310 helixtrans-56.1-39.2-178.4-71.9176-168.800112.3Y65 F69 N70Y65-E67 HydrophobicContact CD1-CG 4.12Å; Y65-E67 HydrophobicContact CE1-CG 3.81Å; E67-F69 PolarHBondContact O-N 3.35Å; E67-F69 VanDerWaalsContact O-N 3.11Å; E67-N70 PolarHBondContact O-N 2.59Å
68Q93.3Very high93.9Very high161 Ų16170.1 Ų70.175%0.75231%0.314SS*.G310 helixtrans-53.3-34.1176.6-178.2179.9-5.200113.4M66M66-Q68 VanDerWaalsContact C-N 3.25Å; M66-Q68 PolarHBondContact O-N 3.12Å
69F90.3Very high93.9Very high104 Ų10470.1 Ų70.146%0.45631%0.314SS..G310 helixtrans-108.41.1-179.3-55.5-62.1000112.8M66 E67 R71M66-F69 HydrophobicContact CB-CD2 3.93Å; M66-F69 CarbonylContact O-C 3.59Å; M66-F69 PolarHBondContact O-N 3.07Å; E67-F69 PolarHBondContact O-N 3.35Å; E67-F69 VanDerWaalsContact O-N 3.11Å; F69-R71 HydrophobicContact CB-CG 3.82Å; F69-R71 PolarHBondContact O-N 3.48Å; F69-R71 VanDerWaalsContact O-N 3.14Å
70N94.1Very high93.8Very high121 Ų12170.9 Ų70.965%0.64732%0.319SS*.THydrogen-bonded Turntrans47.139.5-174.7-16917.8000113.2Y65 M66 E67Y65-N70 PolarHBondContact OH-OD1 2.97Å; M66-N70 PolarHBondContact O-N 3.42Å; E67-N70 PolarHBondContact O-N 2.59Å
71R92.9Very high93.8Very high120 Ų12071 Ų7145%0.45332%0.32SS..EExtended strand (participates in β ladder)trans-154.8159.3-177.869.5-173.2176.699.4-2112.8M66 F69M66-R71 PolarHBondContact N-O 2.88Å; M66-R71 PolarHBondContact O-N 3.39Å; F69-R71 HydrophobicContact CB-CG 3.82Å; F69-R71 PolarHBondContact O-N 3.48Å; F69-R71 VanDerWaalsContact O-N 3.14Å
72Y93Very high93.7Very high130 Ų13069.9 Ų69.951%0.5132%0.32SS..EExtended strand (participates in β ladder)trans-71.6133.3166.4-72.7-87.7000110.8K64 Y65 P119K64-Y72 WeakPolarHBondContact O-CA 3.41Å; Y65-Y72 AromaticContact CD2-CD2 3.99Å; Y65-Y72 HydrophobicContact CD2-CD2 3.99Å; Y65-Y72 AromaticContact CD2-CE2 3.88Å; Y65-Y72 HydrophobicContact CD2-CE2 3.88Å; Y65-Y72 HydrophobicContact CD2-CG 4.37Å; Y72-P119 HydrophobicContact CG-CG 4.26Å
73T91.5Very high93.6Very high33 Ų3374.3 Ų74.320%0.20234%0.343CS..EExtended strand (participates in β ladder)trans-124.3140.2177-57.40000109.2K64K64-T73 PolarHBondContact N-O 2.72Å; K64-T73 VanDerWaalsContact N-O 3.09Å; K64-T73 PolarHBondContact O-N 2.84Å
74K92.9Very high93.6Very high12 Ų1277 Ų775%0.05236%0.356CS..EExtended strand (participates in β ladder)trans-72.1128.2172.5-170-179.5-179.6-173.50110.5R62 F63 S76 H114 G116 S117 S166 S168R62-K74 HydrophobicContact CB-CG 4.4Å; R62-K74 CarbonylContact O-C 3.43Å; R62-K74 WeakPolarHBondContact O-CA 3.33Å; F63-K74 HydrophobicContact CD1-CB 4.01Å; F63-K74 HydrophobicContact CD1-CG 4.36Å; F63-K74 HydrophobicContact CE1-CB 3.74Å; F63-K74 HydrophobicContact CE1-CD 4.33Å; F63-K74 HydrophobicContact CE1-CG 3.93Å; F63-K74 HydrophobicContact CZ-CG 4.44Å; K74-S76 PolarHBondContact O-N 3.42Å; K74-H114 WeakPolarHBondContact CE-ND1 3.38Å; K74-H114 PolarHBondContact NZ-ND1 2.65Å; K74-H114 VanDerWaalsContact NZ-ND1 3.19Å; K74-H114 PolarHBondContact NZ-O 2.83Å; K74-G116 WeakPolarHBondContact CD-O 3.25Å; K74-G116 PolarHBondContact NZ-O 2.74Å; K74-G116 VanDerWaalsContact NZ-O 3.09Å; K74-S117 VanDerWaalsContact CB-O 3.31Å; K74-S117 WeakPolarHBondContact CB-O 3.29Å; K74-S117 PolarHBondContact N-O 3.03Å; K74-S166 PolarHBondContact NZ-O 3.19Å; K74-S168 WeakPolarHBondContact CE-OG 3.39Å; K74-S168 PolarHBondContact NZ-OG 2.79Å
75L93.7Very high93.6Very high16 Ų1671.4 Ų71.48%0.08433%0.332CS..  trans-79.492.3167-52.6-176.8000107.8V7 R62 K64 Y77V7-L75 HydrophobicContact CG2-CB 4.18Å; V7-L75 HydrophobicContact CG2-CD1 3.83Å; R62-L75 PolarHBondContact NH1-O 3.24Å; R62-L75 PolarHBondContact O-N 2.85Å; K64-L75 HydrophobicContact CB-CD1 4.04Å; K64-L75 HydrophobicContact CB-CD2 4.02Å; K64-L75 HydrophobicContact CB-CG 4.13Å; L75-Y77 HydrophobicContact CB-CD1 4.22Å; L75-Y77 HydrophobicContact CB-CD2 3.87Å; L75-Y77 HydrophobicContact CB-CE1 4.32Å; L75-Y77 HydrophobicContact CB-CE2 3.98Å; L75-Y77 HydrophobicContact CB-CG 4Å; L75-Y77 HydrophobicContact CD1-CD2 4.21Å; L75-Y77 HydrophobicContact CD1-CE2 3.83Å; L75-Y77 HydrophobicContact CD2-CE1 4.23Å; L75-Y77 HydrophobicContact CD2-CE2 3.98Å; L75-Y77 HydrophobicContact CG-CD2 4.48Å; L75-Y77 HydrophobicContact CG-CE2 4.14Å; L75-Y77 PolarHBondContact O-N 2.79Å
76S90.9Very high93.4Very high30 Ų3073 Ų7321%0.2134%0.338CS..  trans-71.524.7174.5-59.20000112.8K74 V156K74-S76 PolarHBondContact O-N 3.42Å; S76-V156 PolarHBondContact O-N 2.73Å
77Y93.6Very high93.2Very high68 Ų6870.4 Ų70.427%0.26733%0.325SS..BIsolated β-bridgetrans-63.7136.6-171.2-65.2-11.1000112V7 Q9 R62 L75 V79 F154V7-Y77 HydrophobicContact CG2-CD2 4.25Å; Q9-Y77 HydrophobicContact CB-CD1 4.39Å; Q9-Y77 HydrophobicContact CB-CD2 4.44Å; Q9-Y77 HydrophobicContact CB-CG 4.24Å; R62-Y77 PolarHBondContact NH1-O 2.9Å; L75-Y77 HydrophobicContact CB-CD1 4.22Å; L75-Y77 HydrophobicContact CB-CD2 3.87Å; L75-Y77 HydrophobicContact CB-CE1 4.32Å; L75-Y77 HydrophobicContact CB-CE2 3.98Å; L75-Y77 HydrophobicContact CB-CG 4Å; L75-Y77 HydrophobicContact CD1-CD2 4.21Å; L75-Y77 HydrophobicContact CD1-CE2 3.83Å; L75-Y77 HydrophobicContact CD2-CE1 4.23Å; L75-Y77 HydrophobicContact CD2-CE2 3.98Å; L75-Y77 HydrophobicContact CG-CD2 4.48Å; L75-Y77 HydrophobicContact CG-CE2 4.14Å; L75-Y77 PolarHBondContact O-N 2.79Å; Y77-V79 PolarHBondContact O-N 2.6Å; Y77-F154 VanDerWaalsContact O-O 3.05Å
78R94.4Very high92.4Very high80 Ų8066.8 Ų66.830%0.30231%0.306SS..  trans-67.3114.4171-177.5170.9179.7-99.8-1110N10 T11 L80 F154 V156 A157N10-R78 VanDerWaalsContact CA-O 3.25Å; N10-R78 WeakPolarHBondContact CA-O 3.45Å; N10-R78 PolarHBondContact N-O 2.95Å; T11-R78 PolarHBondContact N-O 3.32Å; R78-L80 HydrophobicContact CG-CD1 4.22Å; R78-F154 CarbonylContact C-O 3.59Å; R78-F154 WeakPolarHBondContact CA-O 3.18Å; R78-F154 HydrophobicContact CG-CB 4.06Å; R78-V156 WeakPolarHBondContact CB-O 3.32Å; R78-V156 PolarHBondContact N-O 2.79Å; R78-V156 VanDerWaalsContact N-O 3.08Å; R78-A157 HydrophobicContact CB-CB 4.48Å
79V96.4Very high91.2Very high0 Ų059.7 Ų59.70%027%0.274CS..EExtended strand (participates in β ladder)trans-128.4117.2176.1-1760000109.2V7 T11 I13 Y77 F81 F154V7-V79 HydrophobicContact CB-CG2 3.9Å; V7-V79 HydrophobicContact CG1-CG2 4.02Å; T11-V79 CarbonylContact O-C 3.58Å; T11-V79 VanDerWaalsContact O-CA 3.32Å; T11-V79 WeakPolarHBondContact O-CA 3.46Å; I13-V79 HydrophobicContact CD1-CG1 3.47Å; I13-V79 VanDerWaalsContact CD1-CG1 3.47Å; I13-V79 HydrophobicContact CG1-CG1 4.02Å; Y77-V79 PolarHBondContact O-N 2.6Å; V79-F81 WeakPolarHBondContact O-CD1 3.24Å; V79-F154 PolarHBondContact N-O 2.95Å
80L96.5Very high90.1Very high60 Ų6055.9 Ų55.931%0.31426%0.259SS..EExtended strand (participates in β ladder)trans-77.2130.7180-73.369.2000109.8T11 S12 I13 R78 F154T11-L80 WeakPolarHBondContact O-CD1 3.26Å; T11-L80 PolarHBondContact O-N 2.82Å; S12-L80 CarbonylContact C-O 3.59Å; S12-L80 WeakPolarHBondContact CA-O 3.47Å; I13-L80 PolarHBondContact N-O 2.91Å; R78-L80 HydrophobicContact CG-CD1 4.22Å; L80-F154 HydrophobicContact CB-CE2 4.37Å; L80-F154 HydrophobicContact CG-CD2 4.04Å; L80-F154 HydrophobicContact CG-CE2 3.93Å
81F96Very high88.6Confident4 Ų457.9 Ų57.92%0.01826%0.258CS..  trans-124.3122.7168.846-91000109.7I13 V79 L108 V111 I150 F153 F154 L172I13-F81 HydrophobicContact CB-CB 4.32Å; I13-F81 HydrophobicContact CG1-CB 3.64Å; V79-F81 WeakPolarHBondContact O-CD1 3.24Å; F81-L108 HydrophobicContact CD2-CD2 3.9Å; F81-L108 HydrophobicContact CE2-CD2 4.03Å; F81-V111 HydrophobicContact CE2-CG1 4.39Å; F81-V111 HydrophobicContact CE2-CG2 3.82Å; F81-V111 HydrophobicContact CZ-CG1 4.16Å; F81-V111 HydrophobicContact CZ-CG2 4.4Å; F81-I150 HydrophobicContact CD2-CG2 3.88Å; F81-I150 HydrophobicContact CE2-CG2 3.28Å; F81-I150 HydrophobicContact CZ-CG2 3.99Å; F81-F153 HydrophobicContact CZ-CB 4.08Å; F81-F154 AromaticContact CD1-CD1 3.73Å; F81-F154 HydrophobicContact CD1-CD1 3.73Å; F81-F154 AromaticContact CD1-CE1 3.88Å; F81-F154 HydrophobicContact CD1-CE1 3.88Å; F81-F154 HydrophobicContact CD2-CE1 4.04Å; F81-F154 AromaticContact CE1-CD1 3.45Å; F81-F154 HydrophobicContact CE1-CD1 3.45Å; F81-F154 VanDerWaalsContact CE1-CD1 3.45Å; F81-F154 AromaticContact CE1-CE1 3.88Å; F81-F154 HydrophobicContact CE1-CE1 3.88Å; F81-F154 HydrophobicContact CE2-CD1 4.35Å; F81-F154 HydrophobicContact CE2-CE1 4.04Å; F81-F154 HydrophobicContact CG-CD1 4.29Å; F81-F154 AromaticContact CG-CE1 3.96Å; F81-F154 HydrophobicContact CG-CE1 3.96Å; F81-F154 AromaticContact CZ-CD1 3.78Å; F81-F154 HydrophobicContact CZ-CD1 3.78Å; F81-F154 AromaticContact CZ-CE1 3.94Å; F81-F154 HydrophobicContact CZ-CE1 3.94Å; F81-L172 HydrophobicContact CB-CD1 3.45Å; F81-L172 VanDerWaalsContact CB-CD1 3.45Å; F81-L172 HydrophobicContact CD1-CD1 3.91Å; F81-L172 HydrophobicContact CD1-CD2 4.05Å; F81-L172 HydrophobicContact CD2-CD1 4.1Å; F81-L172 HydrophobicContact CD2-CD2 3.86Å; F81-L172 HydrophobicContact CE1-CD2 4.01Å; F81-L172 HydrophobicContact CE2-CD2 3.8Å; F81-L172 HydrophobicContact CG-CD1 3.58Å; F81-L172 HydrophobicContact CG-CD2 3.98Å; F81-L172 HydrophobicContact CG-CG 4.44Å; F81-L172 HydrophobicContact CZ-CD2 3.9Å
82P95Very high86.9Confident48 Ų4858.5 Ų58.531%0.31226%0.264SS..  trans-76.4154.4-175.633-36.6000111.2E84 L85 Y174P82-E84 VanDerWaalsContact CB-O 3.26Å; P82-E84 WeakPolarHBondContact CB-O 3.38Å; P82-E84 WeakPolarHBondContact CG-O 3.49Å; P82-E84 PolarHBondContact O-N 2.79Å; P82-L85 HydrophobicContact CG-CB 4.41Å; P82-L85 HydrophobicContact CG-CD1 4.22Å; P82-Y174 WeakPolarHBondContact O-CE1 3.4Å; P82-Y174 PolarHBondContact O-OH 2.83Å
83L93.9Very high85.2Confident93 Ų9354.5 Ų54.549%0.48725%0.253SS..SBendtrans-62.5-29170.5-66.5179.7000112.2E107 L108 W134 I150L83-E107 CarbonylContact O-C 3.21Å; L83-E107 WeakPolarHBondContact O-CA 3.5Å; L83-L108 HydrophobicContact CD2-CB 4.42Å; L83-L108 HydrophobicContact CD2-CD2 3.99Å; L83-L108 PolarHBondContact O-N 2.83Å; L83-W134 HydrophobicContact CD2-CZ2 4.12Å; L83-I150 HydrophobicContact CD2-CG1 4.04Å
84E94.3Very high83.4Confident96 Ų9658 Ų5845%0.44928%0.276SS..EExtended strand (participates in β ladder)trans-122.7129.2176.6-62.4-172.4169.100110.3P82 L105 Y106 R177P82-E84 VanDerWaalsContact CB-O 3.26Å; P82-E84 WeakPolarHBondContact CB-O 3.38Å; P82-E84 WeakPolarHBondContact CG-O 3.49Å; P82-E84 PolarHBondContact O-N 2.79Å; E84-L105 HydrophobicContact CB-CD1 4.1Å; E84-Y106 CarbonylContact C-O 3.57Å; E84-Y106 VanDerWaalsContact CA-O 3.26Å; E84-Y106 WeakPolarHBondContact CA-O 3.42Å; E84-R177 IonicContact OE1-CZ 3.48Å; E84-R177 IonicContact OE1-NH1 2.84Å; E84-R177 PolarHBondContact OE1-NH1 2.9Å; E84-R177 IonicContact OE1-NH2 2.98Å; E84-R177 PolarHBondContact OE1-NH2 2.84Å; E84-R177 IonicContact OE2-NH1 2.82Å
85L93.5Very high81.4Confident2 Ų266.5 Ų66.51%0.0132%0.316CS..EExtended strand (participates in β ladder)trans-126130.7-174.8-179.667.5000110.6L17 L56 L58 P82 L87 Y106 Y174L17-L85 HydrophobicContact CD1-CD1 4.44Å; L17-L85 HydrophobicContact CD1-CD2 4.21Å; L56-L85 HydrophobicContact CD2-CD2 4.16Å; L58-L85 HydrophobicContact CD1-CD2 3.74Å; P82-L85 HydrophobicContact CG-CB 4.41Å; P82-L85 HydrophobicContact CG-CD1 4.22Å; L85-L87 HydrophobicContact CD2-CD2 4.14Å; L85-L87 HydrophobicContact CG-CD2 4.44Å; L85-Y106 PolarHBondContact N-O 2.85Å; L85-Y106 WeakPolarHBondContact O-CB 3.25Å; L85-Y106 PolarHBondContact O-N 3.09Å; L85-Y174 HydrophobicContact CB-CD1 3.88Å; L85-Y174 HydrophobicContact CB-CE1 3.59Å; L85-Y174 HydrophobicContact CD2-CD1 4.36Å; L85-Y174 HydrophobicContact CD2-CD2 4.16Å; L85-Y174 HydrophobicContact CD2-CE1 4.29Å; L85-Y174 HydrophobicContact CD2-CE2 4.06Å; L85-Y174 HydrophobicContact CD2-CG 4.31Å
86R90.1Very high79.5Confident128 Ų12867.6 Ų67.648%0.48333%0.325SS..EExtended strand (participates in β ladder)trans-106.3134.9166.5-68.2179.3178.6-86.1-8.2109.6D103 L105R86-D103 PolarHBondContact NH1-O 2.78Å; R86-L105 HydrophobicContact CG-CD1 3.62Å
87L86.2Confident77.7Confident5 Ų575.9 Ų75.93%0.02636%0.36CS..  trans-94.1116.8176.5-66.1177.8000110L17 I49 L52 L56 L85 Y106L17-L87 HydrophobicContact CD1-CD2 3.77Å; I49-L87 HydrophobicContact CD1-CD1 3.81Å; I49-L87 HydrophobicContact CD1-CD2 4.41Å; L52-L87 HydrophobicContact CD2-CB 4.28Å; L52-L87 HydrophobicContact CD2-CD1 3.33Å; L52-L87 HydrophobicContact CD2-CG 4.41Å; L56-L87 HydrophobicContact CD2-CD1 3.86Å; L56-L87 HydrophobicContact CD2-CD2 4.09Å; L56-L87 HydrophobicContact CD2-CG 4.35Å; L85-L87 HydrophobicContact CD2-CD2 4.14Å; L85-L87 HydrophobicContact CG-CD2 4.44Å; L87-Y106 HydrophobicContact CD1-CD2 4.3Å; L87-Y106 HydrophobicContact CD1-CE2 3.81Å; L87-Y106 HydrophobicContact CG-CD2 4.4Å; L87-Y106 HydrophobicContact CG-CE2 4.33Å
88F78.1Confident75.7Confident91 Ų9176.4 Ų76.440%0.39937%0.367SS..  trans-91.8-1.9-175.954.1-91.2000113.9T14 L17 R18T14-F88 HydrophobicContact CG2-CD1 4.25Å; T14-F88 HydrophobicContact CG2-CE1 3.96Å; L17-F88 HydrophobicContact CB-CE1 4.03Å; L17-F88 HydrophobicContact CB-CZ 3.74Å; R18-F88 VanDerWaalsContact CA-CZ 3.5Å; R18-F88 HydrophobicContact CB-CE2 4.1Å; R18-F88 HydrophobicContact CB-CZ 3.92Å; R18-F88 HydrophobicContact CG-CD1 4.45Å; R18-F88 HydrophobicContact CG-CD2 4.14Å; R18-F88 HydrophobicContact CG-CE1 3.74Å; R18-F88 HydrophobicContact CG-CE2 3.38Å; R18-F88 HydrophobicContact CG-CZ 3.18Å; R18-F88 VanDerWaalsContact N-CZ 3.34Å
89N68.6Low73.6Confident12 Ų1275.6 Ų75.66%0.06438%0.378CS..  trans-115.341.8-173.6-169.236.7000113.5S21 M47 R48 I49S21-N89 VanDerWaalsContact CB-CG 3.49Å; S21-N89 WeakPolarHBondContact CB-ND2 3.43Å; S21-N89 WeakPolarHBondContact OG-CB 3.36Å; S21-N89 PolarHBondContact OG-ND2 2.66Å; M47-N89 PolarHBondContact O-ND2 3.27Å; R48-N89 VanDerWaalsContact CA-ND2 3.34Å; R48-N89 WeakPolarHBondContact CA-ND2 3.26Å; R48-N89 WeakPolarHBondContact CG-OD1 3.35Å; I49-N89 PolarHBondContact N-O 2.81Å
90T67.4Low71.9Confident25 Ų2576 Ų7615%0.15338%0.38CS..BIsolated β-bridgetrans-86138.3172.556.40000109.8L52 V100L52-T90 HydrophobicContact CD1-CG2 3.86Å; L52-T90 HydrophobicContact CD2-CG2 3.72Å; L52-T90 HydrophobicContact CG-CG2 3.76Å; T90-V100 HydrophobicContact CG2-CG1 3.82Å
91R62.4Low70.4Confident163 Ų16375.5 Ų75.562%0.61538%0.378SS*.  trans-84.2114.7166.5-175.1177.4179.2162.2-0.7107.2I49 V93I49-R91 PolarHBondContact O-N 2.81Å; R91-V93 HydrophobicContact CG-CG2 4.1Å; R91-V93 PolarHBondContact O-N 2.79Å
92F56.9Low69.1Low132 Ų13278.3 Ų78.358%0.57940%0.397SS*.  trans-62.7117.7165.1-170-96.4000108P94F92-P94 HydrophobicContact CD1-CB 4.49Å; F92-P94 HydrophobicContact CD1-CG 3.84Å; F92-P94 HydrophobicContact CE1-CB 4.02Å; F92-P94 HydrophobicContact CE1-CG 3.82Å
93V56.2Low68.2Low47 Ų4780.9 Ų80.929%0.28541%0.408SS..  trans-111.1101.3174.8179.40000106.7R91 Q95 S96R91-V93 HydrophobicContact CG-CG2 4.1Å; R91-V93 PolarHBondContact O-N 2.79Å; V93-Q95 PolarHBondContact O-N 3.19Å; V93-Q95 VanDerWaalsContact O-N 3.11Å; V93-S96 WeakPolarHBondContact CB-OG 3.47Å; V93-S96 PolarHBondContact O-N 2.93Å; V93-S96 PolarHBondContact O-OG 2.86Å
94P53.9Low67.8Low106 Ų10679.6 Ų79.669%0.68840%0.396SS*.THydrogen-bonded Turntrans-59.1-25.8-174.3-23.130.3000114.4F92F92-P94 HydrophobicContact CD1-CB 4.49Å; F92-P94 HydrophobicContact CD1-CG 3.84Å; F92-P94 HydrophobicContact CE1-CB 4.02Å; F92-P94 HydrophobicContact CE1-CG 3.82Å
95Q52.4Low67.7Low191 Ų19176.3 Ų76.389%0.89338%0.382SS*.THydrogen-bonded Turntrans-105.77.1-172.3-69.3179.6-0.200114.5V93V93-Q95 PolarHBondContact O-N 3.19Å; V93-Q95 VanDerWaalsContact O-N 3.11Å
96S52.4Low67.7Low38 Ų3876.2 Ų76.227%0.26638%0.381SS..  trans-99.3125.8168.461.20000108.9V93 D98 A99V93-S96 WeakPolarHBondContact CB-OG 3.47Å; V93-S96 PolarHBondContact O-N 2.93Å; V93-S96 PolarHBondContact O-OG 2.86Å; S96-D98 PolarHBondContact O-N 3.47Å; S96-A99 PolarHBondContact O-N 3.28Å
97H52.7Low67.9Low204 Ų20472.1 Ų72.194%0.94437%0.367SS*.THydrogen-bonded Turntrans-52.9-15.5165.8-87.1-87000113.3A99H97-A99 PolarHBondContact O-N 3.41Å; H97-A99 VanDerWaalsContact O-N 3.09Å
98D53.1Low68.4Low80 Ų8071.9 Ų71.943%0.42837%0.366SS..THydrogen-bonded Turntrans-68.710.5169.4-79.7-27.1000114K51 S96 V100K51-D98 WeakPolarHBondContact CD-OD2 3.31Å; K51-D98 WeakPolarHBondContact CE-OD2 3.43Å; K51-D98 IonicContact NZ-OD1 2.65Å; K51-D98 PolarHBondContact NZ-OD1 2.8Å; K51-D98 IonicContact NZ-OD2 2.64Å; K51-D98 PolarHBondContact NZ-OD2 2.9Å; S96-D98 PolarHBondContact O-N 3.47Å; D98-V100 VanDerWaalsContact C-N 3.26Å; D98-V100 WeakPolarHBondContact O-CA 3.39Å; D98-V100 WeakPolarHBondContact O-CG2 3.24Å; D98-V100 PolarHBondContact O-N 2.82Å
99A50.4Low69.3Low63 Ų6368.8 Ų68.852%0.52136%0.355SS..  trans-26.587.8179.600000111.3S96 H97 N101S96-A99 PolarHBondContact O-N 3.28Å; H97-A99 PolarHBondContact O-N 3.41Å; H97-A99 VanDerWaalsContact O-N 3.09Å; A99-N101 PolarHBondContact O-N 2.89Å
100V59.2Low70.6Confident9 Ų968.7 Ų68.76%0.05536%0.355CS..  trans-72.2104.7-165.1170.60000104.3L52 T90 D98 P102L52-V100 HydrophobicContact CB-CG1 3.83Å; L52-V100 HydrophobicContact CD1-CG1 3.24Å; L52-V100 HydrophobicContact CG-CG1 3.25Å; T90-V100 HydrophobicContact CG2-CG1 3.82Å; D98-V100 VanDerWaalsContact C-N 3.26Å; D98-V100 WeakPolarHBondContact O-CA 3.39Å; D98-V100 WeakPolarHBondContact O-CG2 3.24Å; D98-V100 PolarHBondContact O-N 2.82Å; V100-P102 WeakPolarHBondContact O-CD 3.43Å
101N66.5Low72Confident49 Ų4967.5 Ų67.526%0.26235%0.348SS..  trans-48.4106.8172.8-179.6-3.9000107A99 D103 R104A99-N101 PolarHBondContact O-N 2.89Å; N101-D103 PolarHBondContact O-N 2.94Å; N101-D103 VanDerWaalsContact O-N 3.12Å; N101-D103 WeakPolarHBondContact OD1-CA 3.44Å; N101-D103 VanDerWaalsContact OD1-CB 3.26Å; N101-D103 WeakPolarHBondContact OD1-CB 3.43Å; N101-D103 PolarHBondContact OD1-N 3.46Å; N101-R104 HydrophobicContact CB-CB 4.35Å; N101-R104 VanDerWaalsContact O-CB 3.28Å; N101-R104 WeakPolarHBondContact O-CB 3.33Å; N101-R104 PolarHBondContact O-N 2.88Å
102P67.6Low73.7Confident63 Ų6360.7 Ų60.741%0.40933%0.325SS..THydrogen-bonded Turntrans-64-19.1-178.127.8-33.5000110.4V100V100-P102 WeakPolarHBondContact O-CD 3.43Å
103D75.9Confident75.6Confident102 Ų10254.4 Ų54.455%0.54530%0.297SS..THydrogen-bonded Turntrans-93.313.7175.8-59.4-48.6000113.4R86 N101 L105R86-D103 PolarHBondContact NH1-O 2.78Å; N101-D103 PolarHBondContact O-N 2.94Å; N101-D103 VanDerWaalsContact O-N 3.12Å; N101-D103 WeakPolarHBondContact OD1-CA 3.44Å; N101-D103 VanDerWaalsContact OD1-CB 3.26Å; N101-D103 WeakPolarHBondContact OD1-CB 3.43Å; N101-D103 PolarHBondContact OD1-N 3.46Å; D103-L105 PolarHBondContact O-N 3.08Å
104R85.5Confident77.5Confident65 Ų6552.2 Ų52.225%0.24528%0.284CS..  trans-57118.7175.3-179.1171.8-72.8173.81.2109.7L52 N101 Y106 A176L52-R104 HydrophobicContact CD1-CB 3.63Å; L52-R104 HydrophobicContact CD1-CG 4.19Å; L52-R104 PolarHBondContact O-NH1 3.26Å; L52-R104 VanDerWaalsContact O-NH1 3.12Å; N101-R104 HydrophobicContact CB-CB 4.35Å; N101-R104 VanDerWaalsContact O-CB 3.28Å; N101-R104 WeakPolarHBondContact O-CB 3.33Å; N101-R104 PolarHBondContact O-N 2.88Å; R104-Y106 HydrophobicContact CB-CE2 4.45Å; R104-Y106 HydrophobicContact CG-CD2 4.32Å; R104-Y106 HydrophobicContact CG-CE2 3.82Å; R104-A176 HydrophobicContact CG-CB 4.14Å
105L91.8Very high79.4Confident27 Ų2748 Ų4814%0.14126%0.257CS..EExtended strand (participates in β ladder)trans-89.2134.4177.4-169.362.3000109.2E84 R86 D103 R177E84-L105 HydrophobicContact CB-CD1 4.1Å; R86-L105 HydrophobicContact CG-CD1 3.62Å; D103-L105 PolarHBondContact O-N 3.08Å; L105-R177 PolarHBondContact O-N 3.48Å
106Y94.3Very high81.3Confident0 Ų039.8 Ų39.80%022%0.223CC..EExtended strand (participates in β ladder)trans-109.7143.3172.3-75.7-96.3000110.3L52 P53 L56 E84 L85 L87 R104 Q175 A176L52-Y106 WeakPolarHBondContact CB-OH 3.27Å; L52-Y106 HydrophobicContact CD1-CE2 4.35Å; L52-Y106 HydrophobicContact CD2-CE2 4.29Å; P53-Y106 WeakPolarHBondContact O-CE1 3.35Å; P53-Y106 PolarHBondContact O-OH 2.91Å; L56-Y106 HydrophobicContact CB-CD1 4.01Å; L56-Y106 HydrophobicContact CB-CE1 3.78Å; E84-Y106 CarbonylContact C-O 3.57Å; E84-Y106 VanDerWaalsContact CA-O 3.26Å; E84-Y106 WeakPolarHBondContact CA-O 3.42Å; L85-Y106 PolarHBondContact N-O 2.85Å; L85-Y106 WeakPolarHBondContact O-CB 3.25Å; L85-Y106 PolarHBondContact O-N 3.09Å; L87-Y106 HydrophobicContact CD1-CD2 4.3Å; L87-Y106 HydrophobicContact CD1-CE2 3.81Å; L87-Y106 HydrophobicContact CG-CD2 4.4Å; L87-Y106 HydrophobicContact CG-CE2 4.33Å; R104-Y106 HydrophobicContact CB-CE2 4.45Å; R104-Y106 HydrophobicContact CG-CD2 4.32Å; R104-Y106 HydrophobicContact CG-CE2 3.82Å; Y106-Q175 CarbonylContact C-O 3.43Å; Y106-Q175 VanDerWaalsContact CA-O 3.3Å; Y106-Q175 WeakPolarHBondContact CA-O 3.46Å; Y106-A176 HydrophobicContact CD1-CB 4.1Å; Y106-A176 VanDerWaalsContact CD1-N 3.33Å; Y106-A176 HydrophobicContact CE1-CB 3.68Å
107E95.1Very high83Confident42 Ų4240.4 Ų40.420%0.19623%0.228CC..EExtended strand (participates in β ladder)trans-111.3135.4174.4178.7168.117900110.2L83 V109 K129 Y174 Q175 R177L83-E107 CarbonylContact O-C 3.21Å; L83-E107 WeakPolarHBondContact O-CA 3.5Å; E107-V109 PolarHBondContact O-N 3.17Å; E107-K129 IonicContact OE1-NZ 3.87Å; E107-K129 PolarHBondContact OE1-NZ 2.79Å; E107-Y174 CarbonylContact O-C 3.43Å; E107-Y174 VanDerWaalsContact O-CA 3.24Å; E107-Y174 WeakPolarHBondContact O-CA 3.49Å; E107-Q175 PolarHBondContact N-O 2.89Å; E107-Q175 PolarHBondContact O-N 2.78Å; E107-R177 HydrophobicContact CB-CG 4.47Å; E107-R177 IonicContact OE1-NH2 3.95Å; E107-R177 IonicContact OE2-CZ 3.42Å; E107-R177 VanDerWaalsContact OE2-CZ 3.31Å; E107-R177 IonicContact OE2-NE 2.79Å; E107-R177 PolarHBondContact OE2-NE 2.76Å; E107-R177 IonicContact OE2-NH2 2.72Å; E107-R177 PolarHBondContact OE2-NH2 3.06Å
108L96.1Very high84.7Confident1 Ų132.8 Ų32.81%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-68.1116.7174.5-174.771.9000109F81 L83 V111 W134 I150 L172 Y174F81-L108 HydrophobicContact CD2-CD2 3.9Å; F81-L108 HydrophobicContact CE2-CD2 4.03Å; L83-L108 HydrophobicContact CD2-CB 4.42Å; L83-L108 HydrophobicContact CD2-CD2 3.99Å; L83-L108 PolarHBondContact O-N 2.83Å; L108-V111 HydrophobicContact CD1-CG2 4.04Å; L108-V111 HydrophobicContact CD2-CG2 3.78Å; L108-V111 HydrophobicContact CG-CG2 4.16Å; L108-W134 HydrophobicContact CD2-CH2 4.31Å; L108-W134 HydrophobicContact CG-CH2 4.31Å; L108-I150 HydrophobicContact CD2-CD1 4.39Å; L108-I150 HydrophobicContact CD2-CG2 4.28Å; L108-L172 HydrophobicContact CD1-CB 4.07Å; L108-Y174 HydrophobicContact CB-CD1 4.13Å; L108-Y174 HydrophobicContact CB-CE1 3.67Å; L108-Y174 HydrophobicContact CD1-CD1 4.44Å; L108-Y174 HydrophobicContact CD1-CD2 4.16Å; L108-Y174 HydrophobicContact CD1-CE1 4.01Å; L108-Y174 HydrophobicContact CD1-CE2 3.73Å; L108-Y174 HydrophobicContact CG-CE1 4.45Å
109V95.9Very high86.4Confident26 Ų2631.1 Ų31.116%0.15819%0.189CC..EExtended strand (participates in β ladder)trans-112.4-23.8-178.6-66.20000112.9E107 V128 K129 F173 Q175E107-V109 PolarHBondContact O-N 3.17Å; V109-V128 CarbonylContact O-C 3.54Å; V109-V128 WeakPolarHBondContact O-CA 3.22Å; V109-K129 PolarHBondContact O-N 2.59Å; V109-F173 HydrophobicContact CG2-CB 4.08Å; V109-F173 WeakPolarHBondContact CG2-O 3.39Å; V109-F173 PolarHBondContact N-O 3.19Å; V109-Q175 HydrophobicContact CB-CB 4.48Å; V109-Q175 HydrophobicContact CG1-CB 3.61Å; V109-Q175 HydrophobicContact CG2-CB 4.02Å
110A96.8Very high88.2Confident9 Ų935.1 Ų35.17%0.07420%0.202CC..EExtended strand (participates in β ladder)trans-152.7154.1171.100000113T126 V127 V128 F173A110-T126 HydrophobicContact CB-CG2 4.43Å; A110-V127 CarbonylContact C-O 3.6Å; A110-V127 WeakPolarHBondContact CA-O 3.11Å; A110-V127 WeakPolarHBondContact CB-O 3.31Å; A110-V128 HydrophobicContact CB-CB 4.44Å; A110-V128 HydrophobicContact CB-CG1 4.46Å; A110-V128 HydrophobicContact CB-CG2 4.02Å; A110-F173 HydrophobicContact CB-CB 4.03Å; A110-F173 HydrophobicContact CB-CD2 4.09Å; A110-F173 HydrophobicContact CB-CG 4.45Å; A110-F173 PolarHBondContact N-O 2.78Å; A110-F173 PolarHBondContact O-N 3.41Å
111V97.3Very high89.6Confident0 Ų044.2 Ų44.20%024%0.235CC..EExtended strand (participates in β ladder)trans-130.7112.9174.2-178.20000107.4F81 L108 V113 T126 V127 I150 L172F81-V111 HydrophobicContact CE2-CG1 4.39Å; F81-V111 HydrophobicContact CE2-CG2 3.82Å; F81-V111 HydrophobicContact CZ-CG1 4.16Å; F81-V111 HydrophobicContact CZ-CG2 4.4Å; L108-V111 HydrophobicContact CD1-CG2 4.04Å; L108-V111 HydrophobicContact CD2-CG2 3.78Å; L108-V111 HydrophobicContact CG-CG2 4.16Å; V111-V113 HydrophobicContact CG1-CG2 3.82Å; V111-T126 WeakPolarHBondContact O-CA 3.46Å; V111-V127 HydrophobicContact CB-CB 4.43Å; V111-V127 PolarHBondContact N-O 2.71Å; V111-V127 PolarHBondContact O-N 3.47Å; V111-I150 HydrophobicContact CG2-CD1 4.35Å; V111-L172 HydrophobicContact CB-CD2 4.44Å; V111-L172 HydrophobicContact CG1-CD2 3.87Å; V111-L172 HydrophobicContact CG2-CD2 4.1Å
112V97.5Very high90.8Very high20 Ų2044.2 Ų44.212%0.12125%0.247CC..EExtended strand (participates in β ladder)trans-79.7123.4164.2178.20000106.8Y124 T126 Y170 I171 F173V112-Y124 HydrophobicContact CG1-CD1 3.87Å; V112-T126 HydrophobicContact CG2-CG2 4.08Å; V112-Y170 WeakPolarHBondContact O-CA 3.37Å; V112-Y170 WeakPolarHBondContact O-CB 3.46Å; V112-Y170 PolarHBondContact O-N 3.45Å; V112-I171 HydrophobicContact CB-CB 4.02Å; V112-I171 HydrophobicContact CG2-CB 4.25Å; V112-I171 PolarHBondContact N-O 2.81Å; V112-I171 PolarHBondContact O-N 2.7Å; V112-F173 HydrophobicContact CG2-CD2 4.42Å; V112-F173 HydrophobicContact CG2-CE2 3.77Å
113V96.3Very high92.1Very high0 Ų044.3 Ų44.30%024%0.241CC..EExtended strand (participates in β ladder)trans-106.9132.7-178.5178.90000107.9V111 Y124 I125 V127 F153 E167V111-V113 HydrophobicContact CG1-CG2 3.82Å; V113-Y124 WeakPolarHBondContact O-CA 3.48Å; V113-I125 HydrophobicContact CB-CD1 4.38Å; V113-I125 HydrophobicContact CB-CG1 3.71Å; V113-I125 HydrophobicContact CG1-CD1 4.36Å; V113-I125 HydrophobicContact CG1-CG1 4.15Å; V113-I125 HydrophobicContact CG2-CG1 4.39Å; V113-I125 PolarHBondContact N-O 2.88Å; V113-I125 PolarHBondContact O-N 2.87Å; V113-I125 VanDerWaalsContact O-N 3.16Å; V113-V127 HydrophobicContact CG2-CG2 4.41Å; V113-F153 HydrophobicContact CB-CD1 4.26Å; V113-F153 HydrophobicContact CB-CE1 4.49Å; V113-F153 HydrophobicContact CG1-CD1 3.7Å; V113-F153 HydrophobicContact CG1-CE1 4.06Å; V113-F153 HydrophobicContact CG2-CB 4.35Å; V113-F153 HydrophobicContact CG2-CD1 3.48Å; V113-F153 VanDerWaalsContact CG2-CD1 3.48Å; V113-F153 HydrophobicContact CG2-CD2 4.29Å; V113-F153 HydrophobicContact CG2-CE1 3.77Å; V113-F153 HydrophobicContact CG2-CG 3.76Å; V113-F153 HydrophobicContact CG2-CZ 4.28Å; V113-E167 HydrophobicContact CG1-CB 3.69Å; V113-E167 HydrophobicContact CG1-CG 4.1Å
114H95.9Very high93.1Very high1 Ų144 Ų441%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-101.8126.7170.8176.1-102.4000109.6F63 K74 G116 Y124 S168 Y170F63-H114 AromaticContact CZ-CE1 3.55Å; F63-H114 AromaticContact CZ-ND1 3.69Å; K74-H114 WeakPolarHBondContact CE-ND1 3.38Å; K74-H114 PolarHBondContact NZ-ND1 2.65Å; K74-H114 VanDerWaalsContact NZ-ND1 3.19Å; K74-H114 PolarHBondContact NZ-O 2.83Å; H114-G116 PolarHBondContact CE1-O 3.05Å; H114-Y124 HydrophobicContact CB-CD1 4.07Å; H114-Y124 HydrophobicContact CB-CE1 3.71Å; H114-Y124 AromaticContact CD2-CE1 3.51Å; H114-Y124 AromaticContact CD2-CE2 3.69Å; H114-Y124 AromaticContact CD2-CZ 3.29Å; H114-Y124 PolarHBondContact CD2-OH 2.82Å; H114-Y124 AromaticContact CG-CE1 3.94Å; H114-S168 PolarHBondContact N-O 3.16Å; H114-S168 PolarHBondContact O-N 3.41Å; H114-Y170 HydrophobicContact CB-CG 4.16Å
115C94Very high93.6Very high18 Ų1841.5 Ų41.512%0.12222%0.224CC..EExtended strand (participates in β ladder)trans-104.5133.6174.5-42.60000108.8G122 H123 E167C115-G122 CarbonylContact O-C 3.54Å; C115-G122 WeakPolarHBondContact O-CA 3.47Å; C115-H123 HydrophobicContact CB-CB 4.11Å; C115-H123 PolarHBondContact N-O 3.02Å; C115-H123 PolarHBondContact O-N 3.25Å; C115-E167 HydrophobicContact CB-CG 4.25Å; C115-E167 WeakPolarHBondContact SG-CG 3.34Å
116G92.5Very high93.8Very high18 Ų1842 Ų4219%0.18623%0.229CC..EExtended strand (participates in β ladder)trans111.6171.7-177.700000113.7K74 H114 S166K74-G116 WeakPolarHBondContact CD-O 3.25Å; K74-G116 PolarHBondContact NZ-O 2.74Å; K74-G116 VanDerWaalsContact NZ-O 3.09Å; H114-G116 PolarHBondContact CE1-O 3.05Å; G116-S166 PolarHBondContact N-OG 2.87Å
117S87.5Confident93.9Very high52 Ų5242 Ų4236%0.36423%0.229SC..EExtended strand (participates in β ladder)trans-107.5-13-165.2-68.30000115.5K74K74-S117 VanDerWaalsContact CB-O 3.31Å; K74-S117 WeakPolarHBondContact CB-O 3.29Å; K74-S117 PolarHBondContact N-O 3.03Å
118T88.6Confident94Very high43 Ų4342.1 Ų42.126%0.26423%0.232SC..EExtended strand (participates in β ladder)trans-126.6154.7-17468.80000110.2F63 N120 R121F63-T118 VanDerWaalsContact CE1-C 3.49Å; T118-N120 VanDerWaalsContact C-N 3.27Å; T118-N120 PolarHBondContact O-N 2.74Å; T118-R121 WeakPolarHBondContact OG1-CB 3.39Å; T118-R121 PolarHBondContact OG1-N 3.05Å; T118-R121 PolarHBondContact OG1-O 3.11Å
119P89.4Confident93.9Very high45 Ų4545.4 Ų45.429%0.29225%0.246SC..THydrogen-bonded Turntrans-70.6-23.5179.223.4-29.5000113.5F63 Y72F63-P119 HydrophobicContact CD1-CB 3.76Å; F63-P119 HydrophobicContact CD1-CG 4.06Å; F63-P119 HydrophobicContact CD2-CB 4.2Å; F63-P119 HydrophobicContact CE1-CB 3.91Å; F63-P119 HydrophobicContact CE1-CG 4.45Å; F63-P119 HydrophobicContact CE2-CB 4.33Å; F63-P119 HydrophobicContact CG-CB 3.9Å; F63-P119 HydrophobicContact CG-CG 4.43Å; F63-P119 HydrophobicContact CZ-CB 4.18Å; Y72-P119 HydrophobicContact CG-CG 4.26Å
120N89.4Confident93.7Very high148 Ų14850.6 Ų50.679%0.79126%0.264SS*.THydrogen-bonded Turntrans-93.6-9.4-176.3-59.762.3000113.2T118T118-N120 VanDerWaalsContact C-N 3.27Å; T118-N120 PolarHBondContact O-N 2.74Å
121R87.6Confident93.3Very high200 Ų20057.9 Ų57.976%0.75530%0.297SS*.EExtended strand (participates in β ladder)trans-142.7122.5179.4-62.8-178.7-179.5-94.50.3109.6T118T118-R121 WeakPolarHBondContact OG1-CB 3.39Å; T118-R121 PolarHBondContact OG1-N 3.05Å; T118-R121 PolarHBondContact OG1-O 3.11Å
122G91.4Very high92.9Very high49 Ų4960.8 Ų60.851%0.50533%0.327SS..EExtended strand (participates in β ladder)trans176.1-178.4176.600000110.2C115C115-G122 CarbonylContact O-C 3.54Å; C115-G122 WeakPolarHBondContact O-CA 3.47Å
123H95.3Very high92.6Very high64 Ų6462.3 Ų62.330%0.29634%0.338SS..EExtended strand (participates in β ladder)trans-124.5146.6176.2-170.842.2000109.4C115 D138 D139C115-H123 HydrophobicContact CB-CB 4.11Å; C115-H123 PolarHBondContact N-O 3.02Å; C115-H123 PolarHBondContact O-N 3.25Å; H123-D138 IonicContact CD2-OD1 2.85Å; H123-D138 IonicContact CE1-OD1 3.51Å; H123-D138 PolarHBondContact CE1-OD1 3.19Å; H123-D138 IonicContact NE2-OD1 3.88Å; H123-D138 PolarHBondContact NE2-OD1 3.21Å; H123-D138 IonicContact NE2-OD2 3.14Å; H123-D139 IonicContact CE1-OD1 3.32Å; H123-D139 IonicContact CE1-OD2 3.31Å; H123-D139 PolarHBondContact CE1-OD2 3.44Å; H123-D139 VanDerWaalsContact CE1-OD2 3.32Å
124Y96.3Very high92.5Very high97 Ų9763.9 Ų63.938%0.3834%0.344SS..EExtended strand (participates in β ladder)trans-119.4116.9178.3-70.5-87.7000109.5V112 V113 H114 Y170V112-Y124 HydrophobicContact CG1-CD1 3.87Å; V113-Y124 WeakPolarHBondContact O-CA 3.48Å; H114-Y124 HydrophobicContact CB-CD1 4.07Å; H114-Y124 HydrophobicContact CB-CE1 3.71Å; H114-Y124 AromaticContact CD2-CE1 3.51Å; H114-Y124 AromaticContact CD2-CE2 3.69Å; H114-Y124 AromaticContact CD2-CZ 3.29Å; H114-Y124 PolarHBondContact CD2-OH 2.82Å; H114-Y124 AromaticContact CG-CE1 3.94Å; Y124-Y170 HydrophobicContact CD1-CD1 4.36Å; Y124-Y170 AromaticContact CE1-CD1 3.54Å; Y124-Y170 HydrophobicContact CE1-CD1 3.54Å; Y124-Y170 AromaticContact CE1-CE1 3.81Å; Y124-Y170 HydrophobicContact CE1-CE1 3.81Å; Y124-Y170 HydrophobicContact CE1-CG 4.23Å
125I96.3Very high92.4Very high11 Ų1165.5 Ų65.56%0.05635%0.352CS..EExtended strand (participates in β ladder)trans-111.5152.8170.865-173.3000108.5V113 L136 F137 D138V113-I125 HydrophobicContact CB-CD1 4.38Å; V113-I125 HydrophobicContact CB-CG1 3.71Å; V113-I125 HydrophobicContact CG1-CD1 4.36Å; V113-I125 HydrophobicContact CG1-CG1 4.15Å; V113-I125 HydrophobicContact CG2-CG1 4.39Å; V113-I125 PolarHBondContact N-O 2.88Å; V113-I125 PolarHBondContact O-N 2.87Å; V113-I125 VanDerWaalsContact O-N 3.16Å; I125-L136 HydrophobicContact CB-CD1 4.14Å; I125-L136 HydrophobicContact CD1-CD1 4.03Å; I125-L136 HydrophobicContact CG1-CD1 4.18Å; I125-F137 CarbonylContact C-O 3.55Å; I125-F137 WeakPolarHBondContact CA-O 3.36Å; I125-D138 HydrophobicContact CG2-CB 3.97Å
126T97.2Very high92.5Very high39 Ų3966.4 Ų66.424%0.23936%0.356CS..EExtended strand (participates in β ladder)trans-125.5127.3-179.9-54.60000110.7A110 V111 V112 V128 F137A110-T126 HydrophobicContact CB-CG2 4.43Å; V111-T126 WeakPolarHBondContact O-CA 3.46Å; V112-T126 HydrophobicContact CG2-CG2 4.08Å; T126-V128 HydrophobicContact CG2-CG2 3.7Å; T126-F137 PolarHBondContact N-O 3.14Å; T126-F137 WeakPolarHBondContact O-CB 3.35Å; T126-F137 PolarHBondContact O-N 2.99Å
127V95.9Very high92.7Very high0 Ų069.2 Ų69.20%036%0.363CS..EExtended strand (participates in β ladder)trans-96.1125.5170.7-173.40000108A110 V111 V113 W134 L135 L136 I148 F153A110-V127 CarbonylContact C-O 3.6Å; A110-V127 WeakPolarHBondContact CA-O 3.11Å; A110-V127 WeakPolarHBondContact CB-O 3.31Å; V111-V127 HydrophobicContact CB-CB 4.43Å; V111-V127 PolarHBondContact N-O 2.71Å; V111-V127 PolarHBondContact O-N 3.47Å; V113-V127 HydrophobicContact CG2-CG2 4.41Å; V127-W134 HydrophobicContact CG1-CB 4.35Å; V127-W134 HydrophobicContact CG1-CD2 4.17Å; V127-W134 HydrophobicContact CG1-CE3 3.47Å; V127-W134 VanDerWaalsContact CG1-CE3 3.47Å; V127-W134 HydrophobicContact CG1-CZ3 4.02Å; V127-L135 CarbonylContact C-O 3.59Å; V127-L135 WeakPolarHBondContact CA-O 3.42Å; V127-L136 HydrophobicContact CG2-CD1 3.98Å; V127-I148 HydrophobicContact CB-CD1 3.97Å; V127-I148 HydrophobicContact CG1-CD1 3.3Å; V127-I148 HydrophobicContact CG1-CG1 4.48Å; V127-I148 HydrophobicContact CG1-CG2 4.12Å; V127-I148 HydrophobicContact CG2-CD1 3.39Å; V127-F153 HydrophobicContact CG2-CE2 3.72Å; V127-F153 HydrophobicContact CG2-CZ 3.84Å
128V96.1Very high93.1Very high44 Ų4469.3 Ų69.327%0.26736%0.36SS..EExtended strand (participates in β ladder)trans-126.5135.1-179-174.90000110.6V109 A110 T126 W134 L135 F137V109-V128 CarbonylContact O-C 3.54Å; V109-V128 WeakPolarHBondContact O-CA 3.22Å; A110-V128 HydrophobicContact CB-CB 4.44Å; A110-V128 HydrophobicContact CB-CG1 4.46Å; A110-V128 HydrophobicContact CB-CG2 4.02Å; T126-V128 HydrophobicContact CG2-CG2 3.7Å; V128-W134 VanDerWaalsContact C-CE3 3.4Å; V128-W134 WeakPolarHBondContact O-CA 3.46Å; V128-L135 PolarHBondContact N-O 3.06Å; V128-L135 PolarHBondContact O-N 3.27Å; V128-F137 HydrophobicContact CB-CD2 4.25Å; V128-F137 HydrophobicContact CB-CE2 3.9Å; V128-F137 HydrophobicContact CG2-CD2 3.83Å; V128-F137 HydrophobicContact CG2-CE2 3.85Å
129K94Very high93.5Very high69 Ų6973.3 Ų73.330%0.338%0.379SS..EExtended strand (participates in β ladder)trans-85.7119.2172-166.9176.2-177.4179.50109.1E107 V109 C133 W134E107-K129 IonicContact OE1-NZ 3.87Å; E107-K129 PolarHBondContact OE1-NZ 2.79Å; V109-K129 PolarHBondContact O-N 2.59Å; K129-C133 CarbonylContact C-O 3.58Å; K129-C133 WeakPolarHBondContact CA-O 3.29Å; K129-W134 HydrophobicContact CB-CD2 4.03Å; K129-W134 HydrophobicContact CB-CE3 3.67Å; K129-W134 HydrophobicContact CB-CH2 3.83Å; K129-W134 HydrophobicContact CB-CZ2 4.11Å; K129-W134 HydrophobicContact CB-CZ3 3.6Å; K129-W134 HydrophobicContact CD-CH2 4.44Å; K129-W134 HydrophobicContact CD-CZ2 4.06Å; K129-W134 HydrophobicContact CG-CD2 4.33Å; K129-W134 HydrophobicContact CG-CE3 4.46Å; K129-W134 HydrophobicContact CG-CZ2 4.35Å; K129-W134 VanDerWaalsContact N-CE3 3.29Å
130Y91.4Very high93.8Very high135 Ų13578.2 Ų78.253%0.52940%0.403SS..EExtended strand (participates in β ladder)trans-133.6123.5177.2-177.3-105.9000110.1G132 C133 L135Y130-G132 PolarHBondContact O-N 3.25Å; Y130-G132 VanDerWaalsContact O-N 3.14Å; Y130-C133 PolarHBondContact N-O 3.09Å; Y130-C133 PolarHBondContact O-N 2.69Å; Y130-C133 VanDerWaalsContact O-O 3.11Å; Y130-L135 HydrophobicContact CD1-CD1 4.38Å; Y130-L135 HydrophobicContact CG-CD1 4.46Å
131Q89.4Confident94.1Very high162 Ų16275.4 Ų75.476%0.75739%0.387SS*.THydrogen-bonded Turntrans48.941.8179.3-62.6-176.4-16.100113.8C133Q131-C133 PolarHBondContact O-N 3.26Å
132G87.9Confident94.5Very high62 Ų6269.5 Ų69.564%0.63937%0.373SS*.THydrogen-bonded Turntrans80-6.5178.900000115.4Y130Y130-G132 PolarHBondContact O-N 3.25Å; Y130-G132 VanDerWaalsContact O-N 3.14Å
133C91.4Very high94.6Very high51 Ų5171.4 Ų71.435%0.34537%0.372SS..EExtended strand (participates in β ladder)trans-102.4154.3173.4-62.30000110.8K129 Y130 Q131 K144K129-C133 CarbonylContact C-O 3.58Å; K129-C133 WeakPolarHBondContact CA-O 3.29Å; Y130-C133 PolarHBondContact N-O 3.09Å; Y130-C133 PolarHBondContact O-N 2.69Å; Y130-C133 VanDerWaalsContact O-O 3.11Å; Q131-C133 PolarHBondContact O-N 3.26Å; C133-K144 VanDerWaalsContact SG-CE 3.59Å
134W94.5Very high94.4Very high33 Ų3374.4 Ų74.413%0.12538%0.384CS..EExtended strand (participates in β ladder)trans-97.2135.5169.5-69.9101.6000110L83 L108 V127 V128 K129 V145 I148 I150L83-W134 HydrophobicContact CD2-CZ2 4.12Å; L108-W134 HydrophobicContact CD2-CH2 4.31Å; L108-W134 HydrophobicContact CG-CH2 4.31Å; V127-W134 HydrophobicContact CG1-CB 4.35Å; V127-W134 HydrophobicContact CG1-CD2 4.17Å; V127-W134 HydrophobicContact CG1-CE3 3.47Å; V127-W134 VanDerWaalsContact CG1-CE3 3.47Å; V127-W134 HydrophobicContact CG1-CZ3 4.02Å; V128-W134 VanDerWaalsContact C-CE3 3.4Å; V128-W134 WeakPolarHBondContact O-CA 3.46Å; K129-W134 HydrophobicContact CB-CD2 4.03Å; K129-W134 HydrophobicContact CB-CE3 3.67Å; K129-W134 HydrophobicContact CB-CH2 3.83Å; K129-W134 HydrophobicContact CB-CZ2 4.11Å; K129-W134 HydrophobicContact CB-CZ3 3.6Å; K129-W134 HydrophobicContact CD-CH2 4.44Å; K129-W134 HydrophobicContact CD-CZ2 4.06Å; K129-W134 HydrophobicContact CG-CD2 4.33Å; K129-W134 HydrophobicContact CG-CE3 4.46Å; K129-W134 HydrophobicContact CG-CZ2 4.35Å; K129-W134 VanDerWaalsContact N-CE3 3.29Å; W134-V145 PolarHBondContact O-N 2.94Å; W134-I148 HydrophobicContact CB-CB 4.25Å; W134-I148 HydrophobicContact CB-CG2 3.6Å; W134-I148 HydrophobicContact CD2-CG2 3.8Å; W134-I148 HydrophobicContact CG-CB 4.48Å; W134-I148 HydrophobicContact CG-CG2 3.38Å; W134-I150 HydrophobicContact CH2-CD1 4.16Å; W134-I150 HydrophobicContact CZ2-CD1 4.15Å; W134-I150 HydrophobicContact CZ2-CG1 4.42Å; W134-I150 HydrophobicContact CZ3-CD1 4.5Å
135L95.1Very high93.9Very high35 Ų3571.6 Ų71.618%0.18338%0.377CS..EExtended strand (participates in β ladder)trans-116.6133.6176.4-59.2179.7000108.2V127 V128 Y130 F137 V142 D143 K144V127-L135 CarbonylContact C-O 3.59Å; V127-L135 WeakPolarHBondContact CA-O 3.42Å; V128-L135 PolarHBondContact N-O 3.06Å; V128-L135 PolarHBondContact O-N 3.27Å; Y130-L135 HydrophobicContact CD1-CD1 4.38Å; Y130-L135 HydrophobicContact CG-CD1 4.46Å; L135-F137 HydrophobicContact CB-CD2 4.22Å; L135-F137 HydrophobicContact CB-CE2 3.6Å; L135-F137 HydrophobicContact CB-CZ 4.36Å; L135-F137 HydrophobicContact CD1-CE2 4.18Å; L135-F137 HydrophobicContact CD1-CZ 4.21Å; L135-V142 HydrophobicContact CB-CG1 4.44Å; L135-D143 CarbonylContact C-O 3.4Å; L135-D143 WeakPolarHBondContact CA-O 3.04Å; L135-K144 HydrophobicContact CD2-CB 4.06Å; L135-K144 HydrophobicContact CD2-CG 4.13Å
136L95.6Very high92.9Very high38 Ų3877.1 Ų77.120%0.19941%0.407CS..EExtended strand (participates in β ladder)trans-98121.7171.517866.2000108.5I125 V127 V142 D143 V145I125-L136 HydrophobicContact CB-CD1 4.14Å; I125-L136 HydrophobicContact CD1-CD1 4.03Å; I125-L136 HydrophobicContact CG1-CD1 4.18Å; V127-L136 HydrophobicContact CG2-CD1 3.98Å; L136-V142 WeakPolarHBondContact O-CA 2.98Å; L136-D143 PolarHBondContact N-O 3.18Å; L136-D143 PolarHBondContact O-N 3.3Å; L136-V145 HydrophobicContact CB-CG2 3.69Å
137F96.9Very high91.7Very high76 Ų7680.5 Ų80.533%0.33343%0.432SS..EExtended strand (participates in β ladder)trans-103.8115.4173.6-68.4-101.9000108.2I125 T126 V128 L135 V142I125-F137 CarbonylContact C-O 3.55Å; I125-F137 WeakPolarHBondContact CA-O 3.36Å; T126-F137 PolarHBondContact N-O 3.14Å; T126-F137 WeakPolarHBondContact O-CB 3.35Å; T126-F137 PolarHBondContact O-N 2.99Å; V128-F137 HydrophobicContact CB-CD2 4.25Å; V128-F137 HydrophobicContact CB-CE2 3.9Å; V128-F137 HydrophobicContact CG2-CD2 3.83Å; V128-F137 HydrophobicContact CG2-CE2 3.85Å; L135-F137 HydrophobicContact CB-CD2 4.22Å; L135-F137 HydrophobicContact CB-CE2 3.6Å; L135-F137 HydrophobicContact CB-CZ 4.36Å; L135-F137 HydrophobicContact CD1-CE2 4.18Å; L135-F137 HydrophobicContact CD1-CZ 4.21Å; F137-V142 HydrophobicContact CD1-CB 4.43Å; F137-V142 HydrophobicContact CD1-CG1 4.14Å; F137-V142 HydrophobicContact CD1-CG2 3.53Å; F137-V142 HydrophobicContact CE1-CB 4.37Å; F137-V142 HydrophobicContact CE1-CG1 3.8Å; F137-V142 HydrophobicContact CE1-CG2 3.58Å; F137-V142 HydrophobicContact CE2-CG1 4.23Å; F137-V142 HydrophobicContact CG-CG1 4.49Å; F137-V142 HydrophobicContact CG-CG2 4.38Å; F137-V142 HydrophobicContact CZ-CG1 3.85Å; F137-V142 HydrophobicContact CZ-CG2 4.46Å
138D96.4Very high90.8Very high55 Ų5581.8 Ų81.829%0.29444%0.438SS..EExtended strand (participates in β ladder)trans-124.999174.9-172.2-10.3000107.8H123 I125 D140 I141H123-D138 IonicContact CD2-OD1 2.85Å; H123-D138 IonicContact CE1-OD1 3.51Å; H123-D138 PolarHBondContact CE1-OD1 3.19Å; H123-D138 IonicContact NE2-OD1 3.88Å; H123-D138 PolarHBondContact NE2-OD1 3.21Å; H123-D138 IonicContact NE2-OD2 3.14Å; I125-D138 HydrophobicContact CG2-CB 3.97Å; D138-D140 PolarHBondContact O-N 2.8Å; D138-I141 PolarHBondContact N-O 3.33Å; D138-I141 WeakPolarHBondContact O-CA 3.43Å; D138-I141 WeakPolarHBondContact O-CB 3.43Å; D138-I141 PolarHBondContact O-N 3.15Å
139D95.6Very high90.2Very high127 Ų12783 Ų8368%0.67944%0.444SS*.THydrogen-bonded Turntrans50.1-109.2-172.1-64.6-30.7000113.2H123H123-D139 IonicContact CE1-OD1 3.32Å; H123-D139 IonicContact CE1-OD2 3.31Å; H123-D139 PolarHBondContact CE1-OD2 3.44Å; H123-D139 VanDerWaalsContact CE1-OD2 3.32Å
140D96.1Very high89.9Confident148 Ų14880.5 Ų80.579%0.79143%0.433SS*.THydrogen-bonded Turntrans-94.1-0.6178.764.7-28000113.8D138D138-D140 PolarHBondContact O-N 2.8Å
141I95.9Very high89.8Confident88 Ų8879.6 Ų79.645%0.45143%0.434SS..EExtended strand (participates in β ladder)trans-98.8130.3-180-56.5174.4000109.7D138D138-I141 PolarHBondContact N-O 3.33Å; D138-I141 WeakPolarHBondContact O-CA 3.43Å; D138-I141 WeakPolarHBondContact O-CB 3.43Å; D138-I141 PolarHBondContact O-N 3.15Å
142V95.6Very high89.9Confident77 Ų7776.2 Ų76.247%0.46742%0.421SS..EExtended strand (participates in β ladder)trans-124.8111.1176.1-172.90000109.4L135 L136 F137L135-V142 HydrophobicContact CB-CG1 4.44Å; L136-V142 WeakPolarHBondContact O-CA 2.98Å; F137-V142 HydrophobicContact CD1-CB 4.43Å; F137-V142 HydrophobicContact CD1-CG1 4.14Å; F137-V142 HydrophobicContact CD1-CG2 3.53Å; F137-V142 HydrophobicContact CE1-CB 4.37Å; F137-V142 HydrophobicContact CE1-CG1 3.8Å; F137-V142 HydrophobicContact CE1-CG2 3.58Å; F137-V142 HydrophobicContact CE2-CG1 4.23Å; F137-V142 HydrophobicContact CG-CG1 4.49Å; F137-V142 HydrophobicContact CG-CG2 4.38Å; F137-V142 HydrophobicContact CZ-CG1 3.85Å; F137-V142 HydrophobicContact CZ-CG2 4.46Å
143D93.8Very high90.2Very high89 Ų8973.8 Ų73.848%0.47639%0.393SS..EExtended strand (participates in β ladder)trans-108.9135.6179.9-72.9-39.6000111.1L135 L136L135-D143 CarbonylContact C-O 3.4Å; L135-D143 WeakPolarHBondContact CA-O 3.04Å; L136-D143 PolarHBondContact N-O 3.18Å; L136-D143 PolarHBondContact O-N 3.3Å
144K91.9Very high90.3Very high126 Ų12672.1 Ų72.155%0.54838%0.38SS..EExtended strand (participates in β ladder)trans-78.3123.9168.9-172.9-174.1178.5-121.40108.8C133 L135 D146C133-K144 VanDerWaalsContact SG-CE 3.59Å; L135-K144 HydrophobicContact CD2-CB 4.06Å; L135-K144 HydrophobicContact CD2-CG 4.13Å; K144-D146 IonicContact NZ-OD1 2.76Å; K144-D146 PolarHBondContact NZ-OD1 3.02Å
145V85.2Confident90.2Very high38 Ų3871.5 Ų71.523%0.2338%0.384CS..EExtended strand (participates in β ladder)trans-106.2107.2177-168.10000108.5W134 L136 S147 I148W134-V145 PolarHBondContact O-N 2.94Å; L136-V145 HydrophobicContact CB-CG2 3.69Å; V145-S147 PolarHBondContact O-N 3.27Å; V145-I148 HydrophobicContact CB-CB 4.22Å; V145-I148 HydrophobicContact CG1-CB 3.74Å; V145-I148 HydrophobicContact CG1-CG1 4.16Å
146D74.1Confident89.9Confident128 Ų12872.2 Ų72.268%0.68439%0.389SS*.THydrogen-bonded Turntrans-64.7-25.3-176.3-73.6-33.5000112.9K144K144-D146 IonicContact NZ-OD1 2.76Å; K144-D146 PolarHBondContact NZ-OD1 3.02Å
147S72.5Confident89.3Confident110 Ų11072.8 Ų72.877%0.76940%0.399SS*.THydrogen-bonded Turntrans-152.677.2177.9-66.50000110.4V145 N149V145-S147 PolarHBondContact O-N 3.27Å; S147-N149 PolarHBondContact O-N 3.33Å
148I76.8Confident88.3Confident27 Ų2772.1 Ų72.114%0.13840%0.404CS..  trans-72.1122.4171.5-154.7166.4000109.5V127 W134 V145 I150 F153V127-I148 HydrophobicContact CB-CD1 3.97Å; V127-I148 HydrophobicContact CG1-CD1 3.3Å; V127-I148 HydrophobicContact CG1-CG1 4.48Å; V127-I148 HydrophobicContact CG1-CG2 4.12Å; V127-I148 HydrophobicContact CG2-CD1 3.39Å; W134-I148 HydrophobicContact CB-CB 4.25Å; W134-I148 HydrophobicContact CB-CG2 3.6Å; W134-I148 HydrophobicContact CD2-CG2 3.8Å; W134-I148 HydrophobicContact CG-CB 4.48Å; W134-I148 HydrophobicContact CG-CG2 3.38Å; V145-I148 HydrophobicContact CB-CB 4.22Å; V145-I148 HydrophobicContact CG1-CB 3.74Å; V145-I148 HydrophobicContact CG1-CG1 4.16Å; I148-I150 HydrophobicContact CG2-CD1 3.99Å; I148-I150 HydrophobicContact CG2-CG1 4.37Å; I148-I150 PolarHBondContact O-N 2.73Å; I148-F153 HydrophobicContact CD1-CE2 3.46Å; I148-F153 VanDerWaalsContact CD1-CE2 3.46Å; I148-F153 HydrophobicContact CD1-CZ 3.75Å; I148-F153 HydrophobicContact CG1-CE2 3.82Å; I148-F153 HydrophobicContact CG1-CZ 4.26Å
149N84.9Confident86.8Confident70 Ų7076.9 Ų76.937%0.37443%0.429SS..  trans-83.5100.6171.4-174.115.4000108.4S147 E151 D152S147-N149 PolarHBondContact O-N 3.33Å; N149-E151 PolarHBondContact O-N 3.03Å; N149-E151 WeakPolarHBondContact OD1-CB 3.5Å; N149-E151 VanDerWaalsContact OD1-CG 3.25Å; N149-E151 WeakPolarHBondContact OD1-CG 3.49Å; N149-E151 PolarHBondContact OD1-N 2.81Å; N149-D152 PolarHBondContact ND2-OD1 3.25Å; N149-D152 VanDerWaalsContact ND2-OD1 3.09Å; N149-D152 VanDerWaalsContact O-CB 3.29Å; N149-D152 WeakPolarHBondContact O-CB 3.44Å; N149-D152 PolarHBondContact O-N 2.85Å
150I87.9Confident84.8Confident15 Ų1574.9 Ų74.98%0.07743%0.426CS..G310 helixtrans-54.9-26178.3-68.4-63000112F81 L83 L108 V111 W134 I148 D152 F153 F154F81-I150 HydrophobicContact CD2-CG2 3.88Å; F81-I150 HydrophobicContact CE2-CG2 3.28Å; F81-I150 HydrophobicContact CZ-CG2 3.99Å; L83-I150 HydrophobicContact CD2-CG1 4.04Å; L108-I150 HydrophobicContact CD2-CD1 4.39Å; L108-I150 HydrophobicContact CD2-CG2 4.28Å; V111-I150 HydrophobicContact CG2-CD1 4.35Å; W134-I150 HydrophobicContact CH2-CD1 4.16Å; W134-I150 HydrophobicContact CZ2-CD1 4.15Å; W134-I150 HydrophobicContact CZ2-CG1 4.42Å; W134-I150 HydrophobicContact CZ3-CD1 4.5Å; I148-I150 HydrophobicContact CG2-CD1 3.99Å; I148-I150 HydrophobicContact CG2-CG1 4.37Å; I148-I150 PolarHBondContact O-N 2.73Å; I150-D152 PolarHBondContact O-N 2.81Å; I150-F153 PolarHBondContact O-N 2.81Å; I150-F153 VanDerWaalsContact O-N 3.15Å; I150-F154 HydrophobicContact CG2-CE1 3.83Å; I150-F154 HydrophobicContact CG2-CZ 4.4Å
151E88.8Confident82.6Confident117 Ų11771.3 Ų71.355%0.54742%0.423SS..G310 helixtrans-62.7-25.8177.1-52.3-173165.100113.5N149 F153 F154N149-E151 PolarHBondContact O-N 3.03Å; N149-E151 WeakPolarHBondContact OD1-CB 3.5Å; N149-E151 VanDerWaalsContact OD1-CG 3.25Å; N149-E151 WeakPolarHBondContact OD1-CG 3.49Å; N149-E151 PolarHBondContact OD1-N 2.81Å; E151-F153 PolarHBondContact O-N 2.79Å; E151-F154 HydrophobicContact CB-CD2 3.92Å; E151-F154 HydrophobicContact CB-CE2 3.81Å; E151-F154 HydrophobicContact CB-CZ 4.36Å; E151-F154 HydrophobicContact CG-CD2 4.23Å; E151-F154 HydrophobicContact CG-CE2 3.6Å; E151-F154 HydrophobicContact CG-CZ 4.01Å; E151-F154 WeakPolarHBondContact O-CB 3.48Å; E151-F154 WeakPolarHBondContact O-CG 3.08Å; E151-F154 PolarHBondContact O-N 3.2Å
152D90.9Very high80.4Confident91 Ų9173.3 Ų73.349%0.48743%0.434SS..G310 helixtrans-62.5-24.8177.9-62.7-11.5000111.2N149 I150N149-D152 PolarHBondContact ND2-OD1 3.25Å; N149-D152 VanDerWaalsContact ND2-OD1 3.09Å; N149-D152 VanDerWaalsContact O-CB 3.29Å; N149-D152 WeakPolarHBondContact O-CB 3.44Å; N149-D152 PolarHBondContact O-N 2.85Å; I150-D152 PolarHBondContact O-N 2.81Å
153F93.7Very high78.4Confident11 Ų1175.9 Ų75.95%0.04844%0.441CS..G310 helixtrans-96.73.8178.5-52-58.8000114.1F81 V113 V127 I148 I150 E151 G155 E167 S168 G169F81-F153 HydrophobicContact CZ-CB 4.08Å; V113-F153 HydrophobicContact CB-CD1 4.26Å; V113-F153 HydrophobicContact CB-CE1 4.49Å; V113-F153 HydrophobicContact CG1-CD1 3.7Å; V113-F153 HydrophobicContact CG1-CE1 4.06Å; V113-F153 HydrophobicContact CG2-CB 4.35Å; V113-F153 HydrophobicContact CG2-CD1 3.48Å; V113-F153 VanDerWaalsContact CG2-CD1 3.48Å; V113-F153 HydrophobicContact CG2-CD2 4.29Å; V113-F153 HydrophobicContact CG2-CE1 3.77Å; V113-F153 HydrophobicContact CG2-CG 3.76Å; V113-F153 HydrophobicContact CG2-CZ 4.28Å; V127-F153 HydrophobicContact CG2-CE2 3.72Å; V127-F153 HydrophobicContact CG2-CZ 3.84Å; I148-F153 HydrophobicContact CD1-CE2 3.46Å; I148-F153 VanDerWaalsContact CD1-CE2 3.46Å; I148-F153 HydrophobicContact CD1-CZ 3.75Å; I148-F153 HydrophobicContact CG1-CE2 3.82Å; I148-F153 HydrophobicContact CG1-CZ 4.26Å; I150-F153 PolarHBondContact O-N 2.81Å; I150-F153 VanDerWaalsContact O-N 3.15Å; E151-F153 PolarHBondContact O-N 2.79Å; F153-G155 PolarHBondContact O-N 3.14Å; F153-E167 HydrophobicContact CD1-CB 4.27Å; F153-S168 CarbonylContact O-C 3.56Å; F153-S168 WeakPolarHBondContact O-CA 3.38Å; F153-G169 PolarHBondContact O-N 2.78Å
154F94.8Very high76.5Confident16 Ų1680.7 Ų80.77%0.0746%0.458CS..SBendtrans-66.2-27.8178.3-69.6-11.9000112.3R62 Y77 R78 V79 L80 F81 I150 E151R62-F154 PolarHBondContact NH2-O 3.29Å; Y77-F154 VanDerWaalsContact O-O 3.05Å; R78-F154 CarbonylContact C-O 3.59Å; R78-F154 WeakPolarHBondContact CA-O 3.18Å; R78-F154 HydrophobicContact CG-CB 4.06Å; V79-F154 PolarHBondContact N-O 2.95Å; L80-F154 HydrophobicContact CB-CE2 4.37Å; L80-F154 HydrophobicContact CG-CD2 4.04Å; L80-F154 HydrophobicContact CG-CE2 3.93Å; F81-F154 AromaticContact CD1-CD1 3.73Å; F81-F154 HydrophobicContact CD1-CD1 3.73Å; F81-F154 AromaticContact CD1-CE1 3.88Å; F81-F154 HydrophobicContact CD1-CE1 3.88Å; F81-F154 HydrophobicContact CD2-CE1 4.04Å; F81-F154 AromaticContact CE1-CD1 3.45Å; F81-F154 HydrophobicContact CE1-CD1 3.45Å; F81-F154 VanDerWaalsContact CE1-CD1 3.45Å; F81-F154 AromaticContact CE1-CE1 3.88Å; F81-F154 HydrophobicContact CE1-CE1 3.88Å; F81-F154 HydrophobicContact CE2-CD1 4.35Å; F81-F154 HydrophobicContact CE2-CE1 4.04Å; F81-F154 HydrophobicContact CG-CD1 4.29Å; F81-F154 AromaticContact CG-CE1 3.96Å; F81-F154 HydrophobicContact CG-CE1 3.96Å; F81-F154 AromaticContact CZ-CD1 3.78Å; F81-F154 HydrophobicContact CZ-CD1 3.78Å; F81-F154 AromaticContact CZ-CE1 3.94Å; F81-F154 HydrophobicContact CZ-CE1 3.94Å; I150-F154 HydrophobicContact CG2-CE1 3.83Å; I150-F154 HydrophobicContact CG2-CZ 4.4Å; E151-F154 HydrophobicContact CB-CD2 3.92Å; E151-F154 HydrophobicContact CB-CE2 3.81Å; E151-F154 HydrophobicContact CB-CZ 4.36Å; E151-F154 HydrophobicContact CG-CD2 4.23Å; E151-F154 HydrophobicContact CG-CE2 3.6Å; E151-F154 HydrophobicContact CG-CZ 4.01Å; E151-F154 WeakPolarHBondContact O-CB 3.48Å; E151-F154 WeakPolarHBondContact O-CG 3.08Å; E151-F154 PolarHBondContact O-N 3.2Å
155G92.3Very high75.5Confident20 Ų2077.6 Ų77.621%0.20645%0.447CS..  trans100.7-168.6-170.500000111.8F153F153-G155 PolarHBondContact O-N 3.14Å
156V88.4Confident75.5Confident50 Ų5077.7 Ų77.730%0.30345%0.45SS..BIsolated β-bridgetrans-99.2131.2-168.8-166.60000111.2Q9 S76 R78 S158Q9-V156 PolarHBondContact NE2-O 2.75Å; S76-V156 PolarHBondContact O-N 2.73Å; R78-V156 WeakPolarHBondContact CB-O 3.32Å; R78-V156 PolarHBondContact N-O 2.79Å; R78-V156 VanDerWaalsContact N-O 3.08Å; V156-S158 WeakPolarHBondContact CG1-O 3.36Å
157A83.4Confident76.3Confident50 Ų5074.7 Ų74.741%0.41343%0.431SS..SBendtrans-73.8-25.3-177.900000113.8Q9 N10 R78Q9-A157 PolarHBondContact NE2-O 3.22Å; N10-A157 PolarHBondContact ND2-O 2.88Å; N10-A157 VanDerWaalsContact ND2-O 3.07Å; N10-A157 WeakPolarHBondContact OD1-CA 3.13Å; N10-A157 PolarHBondContact OD1-O 2.79Å; R78-A157 HydrophobicContact CB-CB 4.48Å
158S76Confident77.4Confident61 Ų6169.5 Ų69.543%0.42740%0.396SS..  trans-136.6144.1-178.254.50000111.6V156 S160V156-S158 WeakPolarHBondContact CG1-O 3.36Å; S158-S160 WeakPolarHBondContact CB-OG 3.1Å; S158-S160 PolarHBondContact O-N 2.65Å; S158-S160 PolarHBondContact OG-OG 2.73Å
159D63.4Low78.3Confident155 Ų15568.2 Ų68.283%0.82939%0.389SS*.  trans-705.3174-94.6-19.6000113.8G161D159-G161 VanDerWaalsContact C-N 3.28Å; D159-G161 PolarHBondContact O-N 2.91Å
160S55.3Low78.8Confident86 Ų8666.8 Ų66.860%0.60138%0.379SS*.  trans-69.680.6-173.751.10000111.8S158 L162S158-S160 WeakPolarHBondContact CB-OG 3.1Å; S158-S160 PolarHBondContact O-N 2.65Å; S158-S160 PolarHBondContact OG-OG 2.73Å; S160-L162 PolarHBondContact O-N 3.44Å
161G49Very low79.3Confident72 Ų7268.1 Ų68.174%0.74239%0.385SS*.SBendtrans63.8-30.814000000119.9D159D159-G161 VanDerWaalsContact C-N 3.28Å; D159-G161 PolarHBondContact O-N 2.91Å
162L50.5Low79.7Confident130 Ų13062.6 Ų62.668%0.68136%0.359SS*.  trans-106.386.1177.8-95.471.7000108.5S160 K164S160-L162 PolarHBondContact O-N 3.44Å; L162-K164 PolarHBondContact O-N 3.09Å
163Q53Low80Confident132 Ų13261.3 Ų61.362%0.61735%0.35SS*.  trans-66.173.6162.7-67.1-176.45.500108.8N165Q163-N165 VanDerWaalsContact C-N 3.3Å
164K54.9Low80.2Confident189 Ų18960.8 Ų60.882%0.82235%0.347SS*.  trans-69.2-33.6175.5-84.6-170.1176.7-176.10111.4L162L162-K164 PolarHBondContact O-N 3.09Å
165N69.3Low80.2Confident61 Ų6164.1 Ų64.133%0.32636%0.363SS..  trans-129.4121.1177.4-159.4-8.8000111Q163 E167Q163-N165 VanDerWaalsContact C-N 3.3Å; N165-E167 VanDerWaalsContact C-N 3.34Å; N165-E167 PolarHBondContact ND2-OE2 3.3Å; N165-E167 WeakPolarHBondContact OD1-CB 3.46Å; N165-E167 WeakPolarHBondContact OD1-CG 3.42Å; N165-E167 PolarHBondContact OD1-N 2.89Å; N165-E167 PolarHBondContact OD1-OE2 3.23Å
166S84.9Confident80.2Confident40 Ų4063.4 Ų63.428%0.2836%0.355SS..  trans-90.9-2.8174.473.50000112.3K74 G116K74-S166 PolarHBondContact NZ-O 3.19Å; G116-S166 PolarHBondContact N-OG 2.87Å
167E92.1Very high80.2Confident65 Ų6565.3 Ų65.330%0.30436%0.357SS..  trans-70.3130.3176.2-67.9152.8-162.300110.5V113 C115 F153 N165V113-E167 HydrophobicContact CG1-CB 3.69Å; V113-E167 HydrophobicContact CG1-CG 4.1Å; C115-E167 HydrophobicContact CB-CG 4.25Å; C115-E167 WeakPolarHBondContact SG-CG 3.34Å; F153-E167 HydrophobicContact CD1-CB 4.27Å; N165-E167 VanDerWaalsContact C-N 3.34Å; N165-E167 PolarHBondContact ND2-OE2 3.3Å; N165-E167 WeakPolarHBondContact OD1-CB 3.46Å; N165-E167 WeakPolarHBondContact OD1-CG 3.42Å; N165-E167 PolarHBondContact OD1-N 2.89Å; N165-E167 PolarHBondContact OD1-OE2 3.23Å
168S94.9Very high79.8Confident2 Ų269.5 Ų69.51%0.01437%0.372CS..EExtended strand (participates in β ladder)trans-152.3138.8172.264.70000109.1R62 K74 H114 F153 Y170R62-S168 WeakPolarHBondContact CD-OG 3.36Å; K74-S168 WeakPolarHBondContact CE-OG 3.39Å; K74-S168 PolarHBondContact NZ-OG 2.79Å; H114-S168 PolarHBondContact N-O 3.16Å; H114-S168 PolarHBondContact O-N 3.41Å; F153-S168 CarbonylContact O-C 3.56Å; F153-S168 WeakPolarHBondContact O-CA 3.38Å; S168-Y170 PolarHBondContact O-N 3.25Å
169G96Very high78.8Confident0 Ų074.7 Ų74.70%040%0.402CS..EExtended strand (participates in β ladder)trans-55125.7174.800000110.2R62 F153R62-G169 PolarHBondContact NE-O 3.42Å; R62-G169 PolarHBondContact NH2-O 2.86Å; F153-G169 PolarHBondContact O-N 2.78Å
170Y96.3Very high79.6Confident40 Ų4070.7 Ų70.716%0.15738%0.38CS..EExtended strand (participates in β ladder)trans-111.2-46.6-173.1-179-117.5000111.5H59 L60 F63 V112 H114 Y124 S168H59-Y170 AromaticContact CD2-CE2 3.82Å; H59-Y170 AromaticContact CD2-CZ 3.86Å; H59-Y170 AromaticContact NE2-CE2 3.52Å; H59-Y170 AromaticContact NE2-CZ 3.58Å; L60-Y170 PolarHBondContact N-O 2.87Å; F63-Y170 HydrophobicContact CD2-CE2 4.04Å; F63-Y170 HydrophobicContact CE2-CD2 4.4Å; F63-Y170 AromaticContact CE2-CE2 3.68Å; F63-Y170 HydrophobicContact CE2-CE2 3.68Å; V112-Y170 WeakPolarHBondContact O-CA 3.37Å; V112-Y170 WeakPolarHBondContact O-CB 3.46Å; V112-Y170 PolarHBondContact O-N 3.45Å; H114-Y170 HydrophobicContact CB-CG 4.16Å; Y124-Y170 HydrophobicContact CD1-CD1 4.36Å; Y124-Y170 AromaticContact CE1-CD1 3.54Å; Y124-Y170 HydrophobicContact CE1-CD1 3.54Å; Y124-Y170 AromaticContact CE1-CE1 3.81Å; Y124-Y170 HydrophobicContact CE1-CE1 3.81Å; Y124-Y170 HydrophobicContact CE1-CG 4.23Å; S168-Y170 PolarHBondContact O-N 3.25Å
171I97.6Very high80.9Confident43 Ų4369.8 Ų69.822%0.22137%0.369CS..EExtended strand (participates in β ladder)trans-126.9129.4171.9-54.8171.3000108.3L58 H59 V112 F173L58-I171 CarbonylContact O-C 3.55Å; L58-I171 WeakPolarHBondContact O-CA 3.5Å; H59-I171 HydrophobicContact CB-CG1 4.47Å; V112-I171 HydrophobicContact CB-CB 4.02Å; V112-I171 HydrophobicContact CG2-CB 4.25Å; V112-I171 PolarHBondContact N-O 2.81Å; V112-I171 PolarHBondContact O-N 2.7Å; I171-F173 HydrophobicContact CB-CE2 4.36Å; I171-F173 HydrophobicContact CG2-CD2 4.25Å; I171-F173 HydrophobicContact CG2-CE1 4.48Å; I171-F173 HydrophobicContact CG2-CE2 3.7Å; I171-F173 HydrophobicContact CG2-CZ 3.83Å
172L97.9Very high82.6Confident0 Ų069.7 Ų69.70%035%0.348CS..EExtended strand (participates in β ladder)trans-108.3127.7177.9-46.7175.2000108.8I13 A57 L58 L60 F81 L108 V111 Y174I13-L172 HydrophobicContact CD1-CD1 4.37Å; I13-L172 HydrophobicContact CG1-CD1 3.85Å; A57-L172 WeakPolarHBondContact CA-O 2.93Å; L58-L172 HydrophobicContact CB-CB 4.26Å; L58-L172 PolarHBondContact N-O 3.48Å; L58-L172 PolarHBondContact O-N 2.9Å; L60-L172 HydrophobicContact CD1-CD1 4.31Å; L60-L172 HydrophobicContact CD2-CD1 4.31Å; F81-L172 HydrophobicContact CB-CD1 3.45Å; F81-L172 VanDerWaalsContact CB-CD1 3.45Å; F81-L172 HydrophobicContact CD1-CD1 3.91Å; F81-L172 HydrophobicContact CD1-CD2 4.05Å; F81-L172 HydrophobicContact CD2-CD1 4.1Å; F81-L172 HydrophobicContact CD2-CD2 3.86Å; F81-L172 HydrophobicContact CE1-CD2 4.01Å; F81-L172 HydrophobicContact CE2-CD2 3.8Å; F81-L172 HydrophobicContact CG-CD1 3.58Å; F81-L172 HydrophobicContact CG-CD2 3.98Å; F81-L172 HydrophobicContact CG-CG 4.44Å; F81-L172 HydrophobicContact CZ-CD2 3.9Å; L108-L172 HydrophobicContact CD1-CB 4.07Å; V111-L172 HydrophobicContact CB-CD2 4.44Å; V111-L172 HydrophobicContact CG1-CD2 3.87Å; V111-L172 HydrophobicContact CG2-CD2 4.1Å; L172-Y174 HydrophobicContact CB-CD2 4.11Å; L172-Y174 HydrophobicContact CB-CE2 3.75Å; L172-Y174 HydrophobicContact CD1-CE2 4.11Å
173F97.5Very high84.5Confident65 Ų6566.2 Ų66.229%0.28533%0.328SS..EExtended strand (participates in β ladder)trans-104.6122.6174.2-68.5-84.3000109.8I55 A57 V109 A110 V112 I171I55-F173 HydrophobicContact CG2-CD1 4.08Å; A57-F173 HydrophobicContact CB-CD1 4.04Å; A57-F173 HydrophobicContact CB-CE1 3.78Å; V109-F173 HydrophobicContact CG2-CB 4.08Å; V109-F173 WeakPolarHBondContact CG2-O 3.39Å; V109-F173 PolarHBondContact N-O 3.19Å; A110-F173 HydrophobicContact CB-CB 4.03Å; A110-F173 HydrophobicContact CB-CD2 4.09Å; A110-F173 HydrophobicContact CB-CG 4.45Å; A110-F173 PolarHBondContact N-O 2.78Å; A110-F173 PolarHBondContact O-N 3.41Å; V112-F173 HydrophobicContact CG2-CD2 4.42Å; V112-F173 HydrophobicContact CG2-CE2 3.77Å; I171-F173 HydrophobicContact CB-CE2 4.36Å; I171-F173 HydrophobicContact CG2-CD2 4.25Å; I171-F173 HydrophobicContact CG2-CE1 4.48Å; I171-F173 HydrophobicContact CG2-CE2 3.7Å; I171-F173 HydrophobicContact CG2-CZ 3.83Å
174Y96Very high86.5Confident0 Ų062.1 Ų62.10%031%0.31CS..EExtended strand (participates in β ladder)trans-117.1125.2-179.5-84.6-80.9000108.9I55 L56 L58 P82 L85 E107 L108 L172I55-Y174 CarbonylContact C-O 3.5Å; I55-Y174 WeakPolarHBondContact CA-O 3.38Å; L56-Y174 PolarHBondContact N-O 2.8Å; L56-Y174 PolarHBondContact O-N 3.35Å; L58-Y174 HydrophobicContact CD1-CD2 3.93Å; L58-Y174 HydrophobicContact CD1-CE2 3.92Å; L58-Y174 HydrophobicContact CG-CD2 4.39Å; P82-Y174 WeakPolarHBondContact O-CE1 3.4Å; P82-Y174 PolarHBondContact O-OH 2.83Å; L85-Y174 HydrophobicContact CB-CD1 3.88Å; L85-Y174 HydrophobicContact CB-CE1 3.59Å; L85-Y174 HydrophobicContact CD2-CD1 4.36Å; L85-Y174 HydrophobicContact CD2-CD2 4.16Å; L85-Y174 HydrophobicContact CD2-CE1 4.29Å; L85-Y174 HydrophobicContact CD2-CE2 4.06Å; L85-Y174 HydrophobicContact CD2-CG 4.31Å; E107-Y174 CarbonylContact O-C 3.43Å; E107-Y174 VanDerWaalsContact O-CA 3.24Å; E107-Y174 WeakPolarHBondContact O-CA 3.49Å; L108-Y174 HydrophobicContact CB-CD1 4.13Å; L108-Y174 HydrophobicContact CB-CE1 3.67Å; L108-Y174 HydrophobicContact CD1-CD1 4.44Å; L108-Y174 HydrophobicContact CD1-CD2 4.16Å; L108-Y174 HydrophobicContact CD1-CE1 4.01Å; L108-Y174 HydrophobicContact CD1-CE2 3.73Å; L108-Y174 HydrophobicContact CG-CE1 4.45Å; L172-Y174 HydrophobicContact CB-CD2 4.11Å; L172-Y174 HydrophobicContact CB-CE2 3.75Å; L172-Y174 HydrophobicContact CD1-CE2 4.11Å
175Q95.1Very high88.6Confident86 Ų8653.6 Ų53.640%0.40228%0.276SS..EExtended strand (participates in β ladder)trans-98.2131.1174.6179.4169.33.900109.8I55 Y106 E107 V109 R177I55-Q175 HydrophobicContact CD1-CB 3.69Å; I55-Q175 HydrophobicContact CD1-CG 3.67Å; Y106-Q175 CarbonylContact C-O 3.43Å; Y106-Q175 VanDerWaalsContact CA-O 3.3Å; Y106-Q175 WeakPolarHBondContact CA-O 3.46Å; E107-Q175 PolarHBondContact N-O 2.89Å; E107-Q175 PolarHBondContact O-N 2.78Å; V109-Q175 HydrophobicContact CB-CB 4.48Å; V109-Q175 HydrophobicContact CG1-CB 3.61Å; V109-Q175 HydrophobicContact CG2-CB 4.02Å; Q175-R177 PolarHBondContact O-N 2.91Å
176A92.4Very high90Very high4 Ų453.1 Ų53.13%0.03327%0.272CS..EExtended strand (participates in β ladder)trans-62.7132.2171.600000109.2L54 R104 Y106 D178L54-A176 HydrophobicContact CD1-CB 4.35Å; L54-A176 WeakPolarHBondContact O-CB 3.46Å; L54-A176 PolarHBondContact O-N 2.87Å; R104-A176 HydrophobicContact CG-CB 4.14Å; Y106-A176 HydrophobicContact CD1-CB 4.1Å; Y106-A176 VanDerWaalsContact CD1-N 3.33Å; Y106-A176 HydrophobicContact CE1-CB 3.68Å; A176-D178 PolarHBondContact O-N 2.66Å
177R88.5Confident90.4Very high90 Ų9054.1 Ų54.134%0.3427%0.272SS..PPolyproline II helixtrans-74.4122.8162.9-67.6-169.5174.7156.74107.5E84 L105 E107 Q175 T179E84-R177 IonicContact OE1-CZ 3.48Å; E84-R177 IonicContact OE1-NH1 2.84Å; E84-R177 PolarHBondContact OE1-NH1 2.9Å; E84-R177 IonicContact OE1-NH2 2.98Å; E84-R177 PolarHBondContact OE1-NH2 2.84Å; E84-R177 IonicContact OE2-NH1 2.82Å; L105-R177 PolarHBondContact O-N 3.48Å; E107-R177 HydrophobicContact CB-CG 4.47Å; E107-R177 IonicContact OE1-NH2 3.95Å; E107-R177 IonicContact OE2-CZ 3.42Å; E107-R177 VanDerWaalsContact OE2-CZ 3.31Å; E107-R177 IonicContact OE2-NE 2.79Å; E107-R177 PolarHBondContact OE2-NE 2.76Å; E107-R177 IonicContact OE2-NH2 2.72Å; E107-R177 PolarHBondContact OE2-NH2 3.06Å; Q175-R177 PolarHBondContact O-N 2.91Å; R177-T179 PolarHBondContact O-N 3.32Å
178D75Confident90.2Very high139 Ų13953.2 Ų53.274%0.74327%0.269SS*.PPolyproline II helixtrans-64.8122.5167-66.4-35.2000107.3A176A176-D178 PolarHBondContact O-N 2.66Å
179T55.6Low89.8Confident169 Ų16957.8 Ų57.8100%1.03729%0.292SS*.  trans-97.5016352.10000108.5R177R177-T179 PolarHBondContact O-N 3.32Å

Retrieved 179 of 179 residues in 51.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).