A0A087X9I1_POEFO Loading...

Kirre like nephrin family adhesion molecule 3

AlphaFold DB , UniProt , Accession A0A087X9I1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 725 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M78.7Confident89.3Confident192 Ų19274.5 Ų74.595%0.94639%0.393SS*.  0149.90-175.6178.3-9800108.1
2F87.3Confident88.9Confident25 Ų2572.1 Ų72.111%0.1138%0.383CS..  trans-68.6132.8174.6-63.9-94.5000110.3Q5 T22 I23 M86 R87 S88F2-Q5 HydrophobicContact CB-CG 3.49Å; F2-Q5 VanDerWaalsContact CB-CG 3.49Å; F2-Q5 HydrophobicContact CD1-CG 4.23Å; F2-Q5 HydrophobicContact CD2-CG 4.49Å; F2-Q5 HydrophobicContact CG-CG 3.86Å; F2-T22 WeakPolarHBondContact CA-O 3.21Å; F2-I23 HydrophobicContact CD1-CD1 3.97Å; F2-I23 HydrophobicContact CD1-CG1 3.58Å; F2-I23 HydrophobicContact CE1-CD1 3.48Å; F2-I23 VanDerWaalsContact CE1-CD1 3.48Å; F2-I23 HydrophobicContact CE1-CG1 3.66Å; F2-I23 HydrophobicContact CG-CG1 4.42Å; F2-I23 HydrophobicContact CZ-CD1 4.08Å; F2-M86 HydrophobicContact CD2-CE 3.62Å; F2-M86 HydrophobicContact CE2-CB 3.93Å; F2-M86 HydrophobicContact CE2-CE 3.59Å; F2-M86 HydrophobicContact CG-CE 4.21Å; F2-M86 HydrophobicContact CZ-CB 4.17Å; F2-M86 HydrophobicContact CZ-CE 4.17Å; F2-R87 VanDerWaalsContact CE2-C 3.42Å; F2-R87 WeakPolarHBondContact CE2-O 3.23Å; F2-R87 VanDerWaalsContact CZ-C 3.5Å; F2-S88 VanDerWaalsContact CZ-N 3.26Å
3S90Very high88.6Confident80 Ų8068.8 Ų68.856%0.55937%0.372SS*.SBendtrans-89-30.3168.158.50000112T22 P24S3-T22 PolarHBondContact N-O 3.09Å; S3-T22 WeakPolarHBondContact OG-CB 3.42Å; S3-T22 WeakPolarHBondContact OG-CG2 3.48Å; S3-T22 PolarHBondContact OG-O 3.19Å; S3-P24 WeakPolarHBondContact OG-CD 3.39Å; S3-P24 VanDerWaalsContact OG-CG 3.27Å; S3-P24 WeakPolarHBondContact OG-CG 3.44Å
4Q91.3Very high88.1Confident77 Ų7767 Ų6736%0.3638%0.378SS..BIsolated β-bridgetrans-135.6134.1176.4-157.7-179.77.700108.7E20 T22Q4-E20 HydrophobicContact CG-CB 3.98Å; Q4-E20 PolarHBondContact NE2-OE2 2.92Å; Q4-T22 PolarHBondContact N-O 2.85Å; Q4-T22 PolarHBondContact O-N 3.38Å; Q4-T22 PolarHBondContact OE1-OG1 3.27Å; Q4-T22 VanDerWaalsContact OE1-OG1 3.07Å
5Q93.4Very high88Confident63 Ų6370.1 Ų70.129%0.29439%0.388SS..  trans-129.8146.9-179-62.3-175.428.700109.1F2 Q7 E20 R89F2-Q5 HydrophobicContact CB-CG 3.49Å; F2-Q5 VanDerWaalsContact CB-CG 3.49Å; F2-Q5 HydrophobicContact CD1-CG 4.23Å; F2-Q5 HydrophobicContact CD2-CG 4.49Å; F2-Q5 HydrophobicContact CG-CG 3.86Å; Q5-Q7 PolarHBondContact O-N 3.45Å; Q5-E20 CarbonylContact C-O 3.6Å; Q5-E20 VanDerWaalsContact C-O 3.28Å; Q5-R89 HydrophobicContact CB-CG 4.22Å; Q5-R89 PolarHBondContact O-NH2 3.45Å; Q5-R89 VanDerWaalsContact OE1-CG 3.3Å
6P94.3Very high88.2Confident0 Ų069.6 Ų69.60%039%0.389CS..PPolyproline II helixtrans-64.8137.6-171.725.5-34.1000111.2L19 E20 W32 R89 A91P6-L19 HydrophobicContact CB-CB 4.15Å; P6-E20 VanDerWaalsContact CA-O 3.23Å; P6-E20 WeakPolarHBondContact CA-O 3.42Å; P6-E20 WeakPolarHBondContact CD-O 2.97Å; P6-W32 HydrophobicContact CB-CH2 3.89Å; P6-W32 HydrophobicContact CB-CZ3 4.24Å; P6-W32 HydrophobicContact CG-CH2 3.87Å; P6-W32 HydrophobicContact CG-CZ3 4.02Å; P6-R89 VanDerWaalsContact C-NH2 3.29Å; P6-R89 PolarHBondContact O-NH1 2.86Å; P6-R89 VanDerWaalsContact O-NH1 3.08Å; P6-R89 PolarHBondContact O-NH2 2.83Å; P6-A91 HydrophobicContact CB-CB 3.59Å; P6-A91 HydrophobicContact CG-CB 3.84Å; P6-A91 WeakPolarHBondContact O-CB 3.44Å
7Q93.9Very high88.4Confident137 Ų13766.5 Ų66.564%0.6437%0.373SS*.PPolyproline II helixtrans-94.8159.5173.5-72.6179.7-4.100110.4Q5 V9Q5-Q7 PolarHBondContact O-N 3.45Å; Q7-V9 PolarHBondContact O-N 3.49Å
8D91.9Very high88.8Confident108 Ų10864.6 Ų64.658%0.57836%0.362SS*.PPolyproline II helixtrans-61.1128.9167-67-6.5000108.3A91 R92D8-A91 WeakPolarHBondContact OD1-CA 2.95Å; D8-R92 WeakPolarHBondContact CA-O 3.44Å; D8-R92 PolarHBondContact OD1-N 3.02Å
9V89.9Confident89.1Confident40 Ų4061.2 Ų61.224%0.24234%0.344CS..EExtended strand (participates in β ladder)trans-124.9130.8-178176.50000109Q7 V17 L19 R92 L93 T94Q7-V9 PolarHBondContact O-N 3.49Å; V9-V17 HydrophobicContact CB-CG1 4.4Å; V9-V17 HydrophobicContact CG1-CG1 3.77Å; V9-L19 HydrophobicContact CB-CD2 4.21Å; V9-L19 HydrophobicContact CG2-CD2 3.83Å; V9-R92 PolarHBondContact N-O 3.1Å; V9-R92 VanDerWaalsContact N-O 3.15Å; V9-L93 HydrophobicContact CB-CD1 4.18Å; V9-L93 HydrophobicContact CG1-CD1 4.32Å; V9-T94 PolarHBondContact O-N 3.13Å
10V85.7Confident89.3Confident95 Ų9561.3 Ų61.358%0.57634%0.341SS*.EExtended strand (participates in β ladder)trans-93.6123.9169.3-177.30000108.3T94 V97V10-T94 HydrophobicContact CG2-CG2 4.42Å; V10-V97 HydrophobicContact CG1-CB 4.45Å; V10-V97 HydrophobicContact CG1-CG2 3.4Å
11A86Confident89.5Confident2 Ų258.4 Ų58.42%0.01733%0.325CS..EExtended strand (participates in β ladder)trans-115.4136.5-170.800000112.3V17 V69 L93 T94A11-V17 HydrophobicContact CB-CG2 3.73Å; A11-V69 HydrophobicContact CB-CB 4.4Å; A11-V69 HydrophobicContact CB-CG1 3.83Å; A11-V69 HydrophobicContact CB-CG2 4.41Å; A11-L93 HydrophobicContact CB-CD1 3.85Å; A11-T94 PolarHBondContact N-O 3.14Å
12V84.3Confident90.3Very high46 Ų4649.9 Ų49.928%0.27928%0.284SS..EExtended strand (participates in β ladder)trans-77.9129.3167.7-171.70000109G14 Q15 V97 A186V12-G14 PolarHBondContact O-N 3.26Å; V12-Q15 HydrophobicContact CB-CB 4.33Å; V12-Q15 HydrophobicContact CB-CG 3.91Å; V12-Q15 HydrophobicContact CG1-CG 4.26Å; V12-Q15 WeakPolarHBondContact O-CB 3.44Å; V12-Q15 PolarHBondContact O-N 3Å; V12-Q15 VanDerWaalsContact O-N 3.15Å; V12-V97 CarbonylContact C-O 3.28Å; V12-V97 VanDerWaalsContact CA-O 3.25Å; V12-V97 WeakPolarHBondContact CA-O 3.34Å; V12-V97 HydrophobicContact CB-CG1 4.45Å; V12-V97 HydrophobicContact CG1-CG1 4.5Å; V12-V97 HydrophobicContact CG2-CB 4.47Å; V12-V97 HydrophobicContact CG2-CG1 3.87Å; V12-A186 HydrophobicContact CG1-CB 4.26Å
13A84.4Confident90.5Very high29 Ų2948.8 Ų48.824%0.2428%0.279CS..THydrogen-bonded Turntrans-58.2136.3177.100000111.3Q15 V69 V97 V98A13-Q15 VanDerWaalsContact C-N 3.31Å; A13-Q15 PolarHBondContact O-N 3.35Å; A13-V69 CarbonylContact C-O 3.56Å; A13-V69 WeakPolarHBondContact CA-O 3.36Å; A13-V97 PolarHBondContact N-O 3.17Å; A13-V98 HydrophobicContact CB-CG2 3.96Å
14G82.2Confident90.4Very high44 Ų4448.4 Ų48.445%0.45428%0.275SS..THydrogen-bonded Turntrans86.4-19.6-175.500000115.4V12 V69V12-G14 PolarHBondContact O-N 3.26Å; G14-V69 PolarHBondContact N-O 2.95Å
15Q86.2Confident90Very high113 Ų11347.8 Ų47.853%0.52829%0.289SS..SBendtrans-82.5155.6178.5-65.9-63.2-28.800112.2V12 A13 V69V12-Q15 HydrophobicContact CB-CB 4.33Å; V12-Q15 HydrophobicContact CB-CG 3.91Å; V12-Q15 HydrophobicContact CG1-CG 4.26Å; V12-Q15 WeakPolarHBondContact O-CB 3.44Å; V12-Q15 PolarHBondContact O-N 3Å; V12-Q15 VanDerWaalsContact O-N 3.15Å; A13-Q15 VanDerWaalsContact C-N 3.31Å; A13-Q15 PolarHBondContact O-N 3.35Å; Q15-V69 WeakPolarHBondContact O-CB 3.5Å; Q15-V69 VanDerWaalsContact O-CG2 3.3Å; Q15-V69 WeakPolarHBondContact O-CG2 3.47Å; Q15-V69 PolarHBondContact O-N 2.92Å
16P91.2Very high89.7Confident62 Ų6246.2 Ų46.240%0.40328%0.28SS..  trans-82.5138175.231.5-33.3000112I66 Q67P16-I66 CarbonylContact C-O 3.46Å; P16-I66 WeakPolarHBondContact CA-O 3.34Å; P16-Q67 WeakPolarHBondContact CA-O 3.48Å; P16-Q67 WeakPolarHBondContact CB-O 3.44Å
17V92.8Very high89.1Confident18 Ų1853.2 Ų53.211%0.10931%0.313CS..EExtended strand (participates in β ladder)trans-128.9140.5178.9168.30000111.3V9 A11 R65 I66 V69 L93V9-V17 HydrophobicContact CB-CG1 4.4Å; V9-V17 HydrophobicContact CG1-CG1 3.77Å; A11-V17 HydrophobicContact CB-CG2 3.73Å; V17-R65 WeakPolarHBondContact O-CA 3.36Å; V17-I66 PolarHBondContact N-O 3.22Å; V17-I66 PolarHBondContact O-N 2.87Å; V17-V69 HydrophobicContact CB-CG2 3.81Å; V17-V69 HydrophobicContact CG2-CG2 3.82Å; V17-L93 HydrophobicContact CG1-CD1 3.94Å
18T94.5Very high88.5Confident31 Ų3147.7 Ų47.719%0.1929%0.293CS..EExtended strand (participates in β ladder)trans-106.5136.4170.8-30.90000110.5E20 I54 H63 L64 R65T18-E20 VanDerWaalsContact CB-OE1 3.3Å; T18-E20 WeakPolarHBondContact CB-OE1 3.28Å; T18-E20 VanDerWaalsContact CG2-OE1 3.23Å; T18-E20 WeakPolarHBondContact CG2-OE1 3.36Å; T18-I54 HydrophobicContact CG2-CD1 4.18Å; T18-H63 HydrophobicContact CG2-CB 3.66Å; T18-L64 CarbonylContact C-O 3.53Å; T18-L64 VanDerWaalsContact CA-O 3.31Å; T18-L64 WeakPolarHBondContact CA-O 3.48Å; T18-R65 PolarHBondContact OG1-NE 3.4Å; T18-R65 PolarHBondContact OG1-NH2 3.35Å
19L94.3Very high88.2Confident1 Ų146.5 Ų46.51%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-106.7119.7163.4-61.5178.4000108.9P6 V9 W32 H63 L64 F77P6-L19 HydrophobicContact CB-CB 4.15Å; V9-L19 HydrophobicContact CB-CD2 4.21Å; V9-L19 HydrophobicContact CG2-CD2 3.83Å; L19-W32 HydrophobicContact CB-CH2 3.66Å; L19-W32 HydrophobicContact CB-CZ2 4.42Å; L19-W32 HydrophobicContact CB-CZ3 4.02Å; L19-W32 HydrophobicContact CD1-CZ3 4.32Å; L19-W32 WeakPolarHBondContact O-CZ2 3.33Å; L19-H63 CarbonylContact O-C 3.54Å; L19-H63 WeakPolarHBondContact O-CA 3.49Å; L19-L64 HydrophobicContact CB-CB 4.39Å; L19-L64 PolarHBondContact N-O 3.4Å; L19-L64 PolarHBondContact O-N 3.36Å; L19-F77 HydrophobicContact CD1-CB 3.48Å; L19-F77 VanDerWaalsContact CD1-CB 3.48Å; L19-F77 HydrophobicContact CD1-CD1 4.06Å; L19-F77 HydrophobicContact CD1-CD2 3.69Å; L19-F77 HydrophobicContact CD1-CE2 4.43Å; L19-F77 HydrophobicContact CD1-CG 3.46Å; L19-F77 VanDerWaalsContact CD1-CG 3.46Å
20E94.7Very high88.1Confident63 Ų6345.5 Ų45.529%0.29428%0.279SS..  trans-79.8131.4-168.4-57.7-62.7125.600112.4Q4 Q5 P6 T18 H63Q4-E20 HydrophobicContact CG-CB 3.98Å; Q4-E20 PolarHBondContact NE2-OE2 2.92Å; Q5-E20 CarbonylContact C-O 3.6Å; Q5-E20 VanDerWaalsContact C-O 3.28Å; P6-E20 VanDerWaalsContact CA-O 3.23Å; P6-E20 WeakPolarHBondContact CA-O 3.42Å; P6-E20 WeakPolarHBondContact CD-O 2.97Å; T18-E20 VanDerWaalsContact CB-OE1 3.3Å; T18-E20 WeakPolarHBondContact CB-OE1 3.28Å; T18-E20 VanDerWaalsContact CG2-OE1 3.23Å; T18-E20 WeakPolarHBondContact CG2-OE1 3.36Å; E20-H63 IonicContact OE1-ND1 2.77Å; E20-H63 IonicContact OE2-CE1 3.14Å; E20-H63 PolarHBondContact OE2-CE1 3.27Å; E20-H63 IonicContact OE2-CG 2.71Å; E20-H63 IonicContact OE2-ND1 2.67Å; E20-H63 PolarHBondContact OE2-ND1 3.33Å
21C93.2Very high88.4Confident0 Ų042.1 Ų42.10%026%0.258CS..  trans-148.2121.3171.7-177.50000111.6W32 H62 H63 C79C21-W32 HydrophobicContact CB-CH2 4.07Å; C21-W32 HydrophobicContact CB-CZ2 3.48Å; C21-W32 VanDerWaalsContact CB-CZ2 3.48Å; C21-H62 CarbonylContact O-C 3.6Å; C21-H62 PolarHBondContact O-N 3Å; C21-H63 PolarHBondContact N-ND1 3.41Å; C21-C79 HydrophobicContact CB-CB 3.64Å; C21-C79 WeakPolarHBondContact CB-SG 3.42Å; C21-C79 WeakPolarHBondContact SG-CB 3.43Å; C21-C79 CovalentContact SG-SG 2.03Å; C21-C79 PolarHBondContact SG-SG 3.2Å
22T93.8Very high88.8Confident13 Ų1342.1 Ų42.18%0.0826%0.257CS..BIsolated β-bridgetrans-136.7124.5-177.6-51.10000110.7F2 S3 Q4 P24 G60 Q61 H63F2-T22 WeakPolarHBondContact CA-O 3.21Å; S3-T22 PolarHBondContact N-O 3.09Å; S3-T22 WeakPolarHBondContact OG-CB 3.42Å; S3-T22 WeakPolarHBondContact OG-CG2 3.48Å; S3-T22 PolarHBondContact OG-O 3.19Å; Q4-T22 PolarHBondContact N-O 2.85Å; Q4-T22 PolarHBondContact O-N 3.38Å; Q4-T22 PolarHBondContact OE1-OG1 3.27Å; Q4-T22 VanDerWaalsContact OE1-OG1 3.07Å; T22-P24 HydrophobicContact CG2-CG 4.49Å; T22-G60 CarbonylContact C-O 3.59Å; T22-G60 WeakPolarHBondContact CA-O 3.31Å; T22-Q61 HydrophobicContact CG2-CG 3.9Å; T22-H63 PolarHBondContact OG1-CE1 3.04Å; T22-H63 VanDerWaalsContact OG1-CE1 3.3Å
23I91.9Very high89.2Confident3 Ų340.6 Ų40.62%0.01525%0.247CC..  trans-126.684.6-177.4-45179.7000108.7F2 G25 Y26 V30 G60 A81 M86F2-I23 HydrophobicContact CD1-CD1 3.97Å; F2-I23 HydrophobicContact CD1-CG1 3.58Å; F2-I23 HydrophobicContact CE1-CD1 3.48Å; F2-I23 VanDerWaalsContact CE1-CD1 3.48Å; F2-I23 HydrophobicContact CE1-CG1 3.66Å; F2-I23 HydrophobicContact CG-CG1 4.42Å; F2-I23 HydrophobicContact CZ-CD1 4.08Å; I23-G25 PolarHBondContact O-N 2.87Å; I23-Y26 HydrophobicContact CD1-CD1 4.47Å; I23-Y26 HydrophobicContact CG2-CG 4.18Å; I23-Y26 PolarHBondContact O-N 2.89Å; I23-V30 HydrophobicContact CD1-CG2 4.02Å; I23-G60 PolarHBondContact N-O 3.01Å; I23-G60 WeakPolarHBondContact O-CA 3.44Å; I23-A81 HydrophobicContact CD1-CB 3.73Å; I23-M86 HydrophobicContact CG2-CE 3.8Å
24P88.6Confident89.6Confident72 Ų7240.8 Ų40.847%0.46824%0.243SC..THydrogen-bonded Turntrans-59.9135.7-173.1-23.734.2000112.4S3 T22 Y26S3-P24 WeakPolarHBondContact OG-CD 3.39Å; S3-P24 VanDerWaalsContact OG-CG 3.27Å; S3-P24 WeakPolarHBondContact OG-CG 3.44Å; T22-P24 HydrophobicContact CG2-CG 4.49Å; P24-Y26 PolarHBondContact O-N 3.35Å
25G83.3Confident90Very high63 Ų6343.7 Ų43.765%0.64925%0.248SC*.THydrogen-bonded Turntrans71.68.4178.800000115.3I23I23-G25 PolarHBondContact O-N 2.87Å
26Y85.9Confident90Very high31 Ų3141.7 Ų41.712%0.12226%0.258CS..  trans-97.2121.8171.5179.8-102.7000110.4I23 P24 G28 I29 V30 A81 A84I23-Y26 HydrophobicContact CD1-CD1 4.47Å; I23-Y26 HydrophobicContact CG2-CG 4.18Å; I23-Y26 PolarHBondContact O-N 2.89Å; P24-Y26 PolarHBondContact O-N 3.35Å; Y26-G28 VanDerWaalsContact CE1-O 3.23Å; Y26-G28 WeakPolarHBondContact CE1-O 3.42Å; Y26-G28 VanDerWaalsContact CZ-CA 3.42Å; Y26-I29 PolarHBondContact OH-N 2.75Å; Y26-I29 PolarHBondContact OH-O 3.44Å; Y26-V30 HydrophobicContact CD1-CG2 3.85Å; Y26-V30 HydrophobicContact CE1-CG2 3.56Å; Y26-A81 HydrophobicContact CD1-CB 4.12Å; Y26-A81 HydrophobicContact CE1-CB 3.53Å; Y26-A81 HydrophobicContact CE2-CB 4.17Å; Y26-A84 HydrophobicContact CD2-CB 4.2Å; Y26-A84 HydrophobicContact CE2-CB 3.7Å
27H81.4Confident89.9Confident147 Ų14743.7 Ų43.768%0.68126%0.264SS*.  trans-111.810.7-180-54.2-66.3000113.1G58H27-G58 PolarHBondContact CE1-O 3.28Å; H27-G58 PolarHBondContact ND1-O 2.81Å
28G82.3Confident89.7Confident21 Ų2145.1 Ų45.122%0.21628%0.278CS..SBendtrans-86.1-175.3178.700000113.1Y26 V30 Q83Y26-G28 VanDerWaalsContact CE1-O 3.23Å; Y26-G28 WeakPolarHBondContact CE1-O 3.42Å; Y26-G28 VanDerWaalsContact CZ-CA 3.42Å; G28-V30 PolarHBondContact O-N 3.34Å; G28-Q83 VanDerWaalsContact CA-OE1 3.22Å
29I85.5Confident89.4Confident83 Ų8343.9 Ų43.943%0.42627%0.27SS..  trans-72.3130.7179-60.6172.5000110.1Y26 V41 V82Y26-I29 PolarHBondContact OH-N 2.75Å; Y26-I29 PolarHBondContact OH-O 3.44Å; I29-V41 HydrophobicContact CG2-CG1 3.81Å; I29-V41 HydrophobicContact CG2-CG2 4.24Å; I29-V82 PolarHBondContact O-N 2.7Å
30V89.1Confident88.9Confident19 Ų1945.2 Ų45.212%0.11528%0.284CS..EExtended strand (participates in β ladder)trans-112.3134.6168.7-1800000109I23 Y26 G28 H62 C79 Q80 A81I23-V30 HydrophobicContact CD1-CG2 4.02Å; Y26-V30 HydrophobicContact CD1-CG2 3.85Å; Y26-V30 HydrophobicContact CE1-CG2 3.56Å; G28-V30 PolarHBondContact O-N 3.34Å; V30-H62 HydrophobicContact CB-CB 4.18Å; V30-H62 HydrophobicContact CG1-CB 3.92Å; V30-H62 HydrophobicContact CG2-CB 4.49Å; V30-C79 WeakPolarHBondContact CG1-SG 3.31Å; V30-Q80 WeakPolarHBondContact CA-O 3.35Å; V30-A81 HydrophobicContact CG2-CB 4.38Å
31L90.8Very high88.2Confident24 Ų2447 Ų4713%0.12630%0.3CS..EExtended strand (participates in β ladder)trans-121.7135.8-177.4173.161.7000109.5I33 A38 G40 Q80 V82L31-I33 HydrophobicContact CD2-CD1 3.66Å; L31-I33 HydrophobicContact CG-CD1 3.78Å; L31-A38 HydrophobicContact CD1-CB 4.03Å; L31-A38 HydrophobicContact CD2-CB 3.86Å; L31-A38 HydrophobicContact CG-CB 4.38Å; L31-G40 WeakPolarHBondContact CD1-O 3.3Å; L31-Q80 PolarHBondContact N-O 3.26Å; L31-Q80 PolarHBondContact O-N 2.93Å; L31-V82 HydrophobicContact CB-CG2 4.11Å; L31-V82 HydrophobicContact CD2-CG2 4.34Å
32W93.9Very high87.4Confident2 Ų249 Ų491%0.00832%0.32CS..EExtended strand (participates in β ladder)trans-93.6135.6167.7-80.191.4000111.2P6 L19 C21 L39 H62 L64 F77 E78 C79P6-W32 HydrophobicContact CB-CH2 3.89Å; P6-W32 HydrophobicContact CB-CZ3 4.24Å; P6-W32 HydrophobicContact CG-CH2 3.87Å; P6-W32 HydrophobicContact CG-CZ3 4.02Å; L19-W32 HydrophobicContact CB-CH2 3.66Å; L19-W32 HydrophobicContact CB-CZ2 4.42Å; L19-W32 HydrophobicContact CB-CZ3 4.02Å; L19-W32 HydrophobicContact CD1-CZ3 4.32Å; L19-W32 WeakPolarHBondContact O-CZ2 3.33Å; C21-W32 HydrophobicContact CB-CH2 4.07Å; C21-W32 HydrophobicContact CB-CZ2 3.48Å; C21-W32 VanDerWaalsContact CB-CZ2 3.48Å; W32-L39 HydrophobicContact CB-CD1 3.94Å; W32-L39 WeakPolarHBondContact O-CB 3.25Å; W32-L39 PolarHBondContact O-N 3Å; W32-H62 PolarHBondContact NE1-O 2.88Å; W32-L64 HydrophobicContact CB-CD2 4.19Å; W32-L64 HydrophobicContact CD2-CB 3.7Å; W32-L64 HydrophobicContact CD2-CD2 3.89Å; W32-L64 HydrophobicContact CD2-CG 4.33Å; W32-L64 VanDerWaalsContact CE2-CB 3.49Å; W32-L64 HydrophobicContact CE3-CB 4.21Å; W32-L64 HydrophobicContact CE3-CD2 3.93Å; W32-L64 HydrophobicContact CG-CB 4.05Å; W32-L64 HydrophobicContact CG-CD1 4.29Å; W32-L64 HydrophobicContact CG-CD2 4.01Å; W32-L64 HydrophobicContact CG-CG 4.36Å; W32-L64 HydrophobicContact CH2-CB 4.27Å; W32-L64 HydrophobicContact CZ2-CB 3.78Å; W32-L64 HydrophobicContact CZ3-CB 4.47Å; W32-F77 HydrophobicContact CE3-CB 4.25Å; W32-F77 HydrophobicContact CZ3-CB 4.08Å; W32-E78 WeakPolarHBondContact CA-O 3.45Å; W32-E78 VanDerWaalsContact CE3-O 3.26Å; W32-C79 HydrophobicContact CD2-CB 4.27Å; W32-C79 HydrophobicContact CE3-CB 4.31Å; W32-C79 HydrophobicContact CH2-CB 4Å; W32-C79 HydrophobicContact CZ2-CB 3.94Å; W32-C79 HydrophobicContact CZ3-CB 4.18Å
33I92.6Very high86.8Confident13 Ų1354.6 Ų54.67%0.06734%0.339CS..EExtended strand (participates in β ladder)trans-110.9138.2176.8-52.5-58.2000108.5L31 G36 L37 A38 F77 E78 Q80L31-I33 HydrophobicContact CD2-CD1 3.66Å; L31-I33 HydrophobicContact CG-CD1 3.78Å; I33-G36 VanDerWaalsContact CG2-C 3.41Å; I33-G36 VanDerWaalsContact CG2-CA 3.43Å; I33-L37 CarbonylContact C-O 3.51Å; I33-L37 WeakPolarHBondContact CA-O 3.32Å; I33-A38 HydrophobicContact CD1-CB 4.07Å; I33-F77 VanDerWaalsContact O-CA 3.27Å; I33-F77 WeakPolarHBondContact O-CA 3.38Å; I33-E78 HydrophobicContact CB-CB 4.28Å; I33-E78 PolarHBondContact N-O 3.49Å; I33-E78 PolarHBondContact O-N 2.9Å; I33-Q80 HydrophobicContact CG1-CG 3.98Å
34K93.1Very high86.2Confident33 Ų3360.4 Ų60.414%0.14337%0.371CS..EExtended strand (participates in β ladder)trans-124.4118172.2-179.4-174.5178.2-177.10108.8G36 L37 L39 Y51 M72 D73 A75 V76 F77K34-G36 PolarHBondContact O-N 2.94Å; K34-G36 VanDerWaalsContact O-N 3.11Å; K34-L37 PolarHBondContact N-O 2.85Å; K34-L37 WeakPolarHBondContact O-CB 3.34Å; K34-L37 PolarHBondContact O-N 2.95Å; K34-L39 HydrophobicContact CB-CD1 4.38Å; K34-L39 HydrophobicContact CB-CD2 3.77Å; K34-L39 HydrophobicContact CB-CG 4.21Å; K34-L39 HydrophobicContact CD-CD2 4.34Å; K34-Y51 PolarHBondContact NZ-OH 3.43Å; K34-M72 PolarHBondContact NZ-O 3.36Å; K34-D73 IonicContact NZ-OD1 2.71Å; K34-A75 HydrophobicContact CD-CB 4.19Å; K34-A75 VanDerWaalsContact CE-CB 3.48Å; K34-A75 HydrophobicContact CG-CB 3.65Å; K34-V76 CarbonylContact C-O 3.49Å; K34-V76 WeakPolarHBondContact CA-O 3.36Å; K34-F77 HydrophobicContact CB-CD1 4.09Å; K34-F77 HydrophobicContact CB-CE1 3.71Å; K34-F77 HydrophobicContact CB-CZ 4.22Å; K34-F77 HydrophobicContact CD-CE1 3.96Å; K34-F77 HydrophobicContact CD-CZ 3.74Å; K34-F77 HydrophobicContact CG-CD1 4.36Å; K34-F77 HydrophobicContact CG-CE1 3.71Å; K34-F77 HydrophobicContact CG-CE2 4.29Å; K34-F77 HydrophobicContact CG-CZ 3.67Å
35D90.2Very high86.2Confident105 Ų10557.2 Ų57.256%0.56135%0.349SS*.THydrogen-bonded Turntrans48.336.7-177.3-59.5-39.9000114A75 V76D35-A75 WeakPolarHBondContact OD2-CB 3.38Å; D35-V76 PolarHBondContact N-O 3.03Å; D35-V76 PolarHBondContact OD1-N 2.83Å
36G86.4Confident85.9Confident71 Ų7160.1 Ų60.173%0.73236%0.36SS*.THydrogen-bonded Turntrans87.3-9.4-17700000115.6I33 K34I33-G36 VanDerWaalsContact CG2-C 3.41Å; I33-G36 VanDerWaalsContact CG2-CA 3.43Å; K34-G36 PolarHBondContact O-N 2.94Å; K34-G36 VanDerWaalsContact O-N 3.11Å
37L89.9Confident85.6Confident104 Ų10461.4 Ų61.455%0.54538%0.383SS..EExtended strand (participates in β ladder)trans-93.7133.4177.6-175.562.4000112.3I33 K34 Y48I33-L37 CarbonylContact C-O 3.51Å; I33-L37 WeakPolarHBondContact CA-O 3.32Å; K34-L37 PolarHBondContact N-O 2.85Å; K34-L37 WeakPolarHBondContact O-CB 3.34Å; K34-L37 PolarHBondContact O-N 2.95Å; L37-Y48 WeakPolarHBondContact CD2-OH 3.42Å
38A89.4Confident85.9Confident49 Ų4957.5 Ų57.541%0.40536%0.362SS..EExtended strand (participates in β ladder)trans-70.1126.817500000112.3L31 I33 G40L31-A38 HydrophobicContact CD1-CB 4.03Å; L31-A38 HydrophobicContact CD2-CB 3.86Å; L31-A38 HydrophobicContact CG-CB 4.38Å; I33-A38 HydrophobicContact CD1-CB 4.07Å; A38-G40 VanDerWaalsContact C-N 3.34Å
39L87.9Confident86.1Confident4 Ų461.9 Ų61.92%0.02139%0.387CS..  trans-79.5-13179.9-62.8-179.1000114.3W32 K34 L45 Y48 Y51 L64 F77W32-L39 HydrophobicContact CB-CD1 3.94Å; W32-L39 WeakPolarHBondContact O-CB 3.25Å; W32-L39 PolarHBondContact O-N 3Å; K34-L39 HydrophobicContact CB-CD1 4.38Å; K34-L39 HydrophobicContact CB-CD2 3.77Å; K34-L39 HydrophobicContact CB-CG 4.21Å; K34-L39 HydrophobicContact CD-CD2 4.34Å; L39-L45 HydrophobicContact CB-CD1 4.27Å; L39-L45 HydrophobicContact CB-CD2 4.37Å; L39-Y48 HydrophobicContact CB-CD2 4.19Å; L39-Y48 HydrophobicContact CB-CE2 4.27Å; L39-Y48 HydrophobicContact CD2-CD1 4.19Å; L39-Y48 HydrophobicContact CD2-CD2 3.86Å; L39-Y48 HydrophobicContact CD2-CE1 3.92Å; L39-Y48 HydrophobicContact CD2-CE2 3.58Å; L39-Y48 HydrophobicContact CD2-CG 4.16Å; L39-Y48 WeakPolarHBondContact O-CD2 3.32Å; L39-Y51 HydrophobicContact CD1-CD1 4.03Å; L39-Y51 HydrophobicContact CD1-CE1 4.27Å; L39-L64 HydrophobicContact CD1-CD2 3.95Å; L39-F77 HydrophobicContact CD1-CE1 4.13Å
40G83.7Confident86.4Confident29 Ų2959.8 Ų59.830%0.29937%0.374SS..  trans117176.3-178.900000113.5L31 A38 L45L31-G40 WeakPolarHBondContact CD1-O 3.3Å; A38-G40 VanDerWaalsContact C-N 3.34Å; G40-L45 WeakPolarHBondContact O-CD2 3.28Å
41V78.4Confident86.6Confident101 Ų10159.1 Ų59.161%0.61237%0.369SS*.SBendtrans-112.3138.8-177178.10000109.9I29I29-V41 HydrophobicContact CG2-CG1 3.81Å; I29-V41 HydrophobicContact CG2-CG2 4.24Å
42G77.3Confident86.7Confident41 Ų4159.1 Ų59.142%0.42337%0.37SS..SBendtrans99.8178.7-178.300000113.2
43R82Confident86.6Confident131 Ų13159.6 Ų59.649%0.49437%0.373SS..THydrogen-bonded Turntrans-77.1-29.7-171.2-68.7-173.3172.9-168.1-7.8114.7T52 V53 G55 H57R43-T52 CarbonylContact O-C 3.57Å; R43-T52 WeakPolarHBondContact O-CA 3.28Å; R43-V53 WeakPolarHBondContact CG-O 3.46Å; R43-V53 PolarHBondContact O-N 3.42Å; R43-G55 PolarHBondContact NH2-O 3.4Å; R43-H57 WeakPolarHBondContact CG-NE2 3.42Å; R43-H57 PolarHBondContact NE-CE1 2.83Å; R43-H57 PolarHBondContact NE-NE2 3.27Å; R43-H57 PolarHBondContact NH2-ND1 2.89Å
44D79.6Confident86.5Confident126 Ų12662 Ų6267%0.67439%0.386SS*.THydrogen-bonded Turntrans-103.810.6-168-160.240.3000113.9S46D44-S46 WeakPolarHBondContact O-CA 3.27Å; D44-S46 PolarHBondContact O-N 3.24Å
45L86.8Confident86.2Confident4 Ų461.7 Ų61.72%0.02139%0.392CS..  trans24.767.6170.5-61178.2000114.6L39 G40 G47 Y48 V53 L64L39-L45 HydrophobicContact CB-CD1 4.27Å; L39-L45 HydrophobicContact CB-CD2 4.37Å; G40-L45 WeakPolarHBondContact O-CD2 3.28Å; L45-G47 PolarHBondContact O-N 2.86Å; L45-Y48 CarbonylContact O-C 3.55Å; L45-Y48 WeakPolarHBondContact O-CA 3.39Å; L45-Y48 PolarHBondContact O-N 2.87Å; L45-V53 HydrophobicContact CD1-CG2 3.91Å; L45-V53 HydrophobicContact CD2-CG2 4.25Å; L45-V53 HydrophobicContact CG-CG2 4.12Å; L45-L64 HydrophobicContact CD1-CD1 3.64Å
46S77.1Confident86Confident124 Ų12460.6 Ų60.687%0.86739%0.386SS*.THydrogen-bonded Turntrans-59-13.5-158.255.90000117.7D44D44-S46 WeakPolarHBondContact O-CA 3.27Å; D44-S46 PolarHBondContact O-N 3.24Å
47G81.1Confident85.9Confident58 Ų5859.8 Ų59.860%0.59836%0.363SS*.THydrogen-bonded Turntrans-85.7-7.5170.500000114.9L45L45-G47 PolarHBondContact O-N 2.86Å
48Y87Confident85.5Confident66 Ų6656.9 Ų56.926%0.25936%0.359SS..  trans-138.972.8-167.1-65.3-81.5000111.2L37 L39 L45 R50 Y51L37-Y48 WeakPolarHBondContact CD2-OH 3.42Å; L39-Y48 HydrophobicContact CB-CD2 4.19Å; L39-Y48 HydrophobicContact CB-CE2 4.27Å; L39-Y48 HydrophobicContact CD2-CD1 4.19Å; L39-Y48 HydrophobicContact CD2-CD2 3.86Å; L39-Y48 HydrophobicContact CD2-CE1 3.92Å; L39-Y48 HydrophobicContact CD2-CE2 3.58Å; L39-Y48 HydrophobicContact CD2-CG 4.16Å; L39-Y48 WeakPolarHBondContact O-CD2 3.32Å; L45-Y48 CarbonylContact O-C 3.55Å; L45-Y48 WeakPolarHBondContact O-CA 3.39Å; L45-Y48 PolarHBondContact O-N 2.87Å; Y48-R50 PolarHBondContact O-N 3.37Å; Y48-Y51 HydrophobicContact CD1-CD2 4.35Å; Y48-Y51 HydrophobicContact CD1-CE2 4.28Å; Y48-Y51 HydrophobicContact CG-CD2 4.42Å; Y48-Y51 WeakPolarHBondContact O-CB 3.41Å; Y48-Y51 PolarHBondContact O-N 2.87Å
49P86.6Confident85.2Confident112 Ų11257 Ų5773%0.72736%0.356SS*.THydrogen-bonded Turntrans-64.6-7.7-169.826.6-36.9000115.7
50R91.6Very high85Confident39 Ų3956.8 Ų56.815%0.14736%0.355CS..THydrogen-bonded Turntrans-90.3-8.4171.8-62.5-163.9-72.790.62.9113.4Y48 I66 Q67 R68 E70 D73Y48-R50 PolarHBondContact O-N 3.37Å; R50-I66 CarbonylContact O-C 3.58Å; R50-I66 WeakPolarHBondContact O-CA 3.47Å; R50-Q67 PolarHBondContact O-N 3.25Å; R50-R68 PolarHBondContact NH1-O 3.49Å; R50-E70 WeakPolarHBondContact CD-OE1 3.4Å; R50-E70 IonicContact CZ-OE1 3.55Å; R50-E70 IonicContact CZ-OE2 2.7Å; R50-E70 IonicContact NE-OE1 3.05Å; R50-E70 PolarHBondContact NE-OE1 2.88Å; R50-E70 IonicContact NE-OE2 3.15Å; R50-E70 PolarHBondContact NE-OE2 2.94Å; R50-E70 VanDerWaalsContact NH2-CD 3.35Å; R50-E70 IonicContact NH2-OE2 3.24Å; R50-E70 PolarHBondContact NH2-OE2 3.38Å; R50-D73 IonicContact CZ-OD1 3.37Å; R50-D73 IonicContact CZ-OD2 3.85Å; R50-D73 IonicContact NH1-OD1 2.94Å; R50-D73 PolarHBondContact NH1-OD1 3.42Å; R50-D73 IonicContact NH1-OD2 2.78Å; R50-D73 PolarHBondContact NH1-OD2 2.96Å; R50-D73 IonicContact NH2-OD1 2.94Å; R50-D73 PolarHBondContact NH2-OD1 3.1Å; R50-D73 IonicContact NH2-OD2 3.12Å; R50-D73 PolarHBondContact NH2-OD2 2.95Å
51Y93.1Very high85.4Confident5 Ų558.8 Ų58.82%0.0236%0.357CS..EExtended strand (participates in β ladder)trans-113.5132.3-170.6-68.7-112.1000110.1K34 L39 Y48 L64 I66 D73 F77K34-Y51 PolarHBondContact NZ-OH 3.43Å; L39-Y51 HydrophobicContact CD1-CD1 4.03Å; L39-Y51 HydrophobicContact CD1-CE1 4.27Å; Y48-Y51 HydrophobicContact CD1-CD2 4.35Å; Y48-Y51 HydrophobicContact CD1-CE2 4.28Å; Y48-Y51 HydrophobicContact CG-CD2 4.42Å; Y48-Y51 WeakPolarHBondContact O-CB 3.41Å; Y48-Y51 PolarHBondContact O-N 2.87Å; Y51-L64 HydrophobicContact CD1-CD1 4.16Å; Y51-L64 HydrophobicContact CD1-CD2 4.13Å; Y51-L64 HydrophobicContact CD1-CG 4.34Å; Y51-L64 HydrophobicContact CE1-CD2 4.49Å; Y51-I66 HydrophobicContact CD1-CD1 4.04Å; Y51-I66 HydrophobicContact CD1-CG1 3.62Å; Y51-I66 HydrophobicContact CE1-CD1 3.49Å; Y51-I66 VanDerWaalsContact CE1-CD1 3.49Å; Y51-I66 HydrophobicContact CE1-CG1 3.61Å; Y51-I66 HydrophobicContact CG-CG1 4.22Å; Y51-D73 PolarHBondContact OH-OD1 3.34Å; Y51-F77 AromaticContact CE1-CE1 3.78Å; Y51-F77 HydrophobicContact CE1-CE1 3.78Å; Y51-F77 AromaticContact CE1-CZ 3.89Å; Y51-F77 HydrophobicContact CE1-CZ 3.89Å
52T92.3Very high86Confident24 Ų2454.4 Ų54.415%0.14733%0.33CS..EExtended strand (participates in β ladder)trans-140.4140-179.550.40000110.3R43 R65R43-T52 CarbonylContact O-C 3.57Å; R43-T52 WeakPolarHBondContact O-CA 3.28Å; T52-R65 PolarHBondContact N-O 2.98Å; T52-R65 PolarHBondContact O-N 3.34Å; T52-R65 PolarHBondContact OG1-O 2.86Å; T52-R65 VanDerWaalsContact OG1-O 3.14Å
53V92.3Very high86.8Confident13 Ų1353.2 Ų53.28%0.07931%0.313CS..EExtended strand (participates in β ladder)trans-94.2115.2173.3-170.90000109.1R43 L45 H62 H63 L64R43-V53 WeakPolarHBondContact CG-O 3.46Å; R43-V53 PolarHBondContact O-N 3.42Å; L45-V53 HydrophobicContact CD1-CG2 3.91Å; L45-V53 HydrophobicContact CD2-CG2 4.25Å; L45-V53 HydrophobicContact CG-CG2 4.12Å; V53-H62 HydrophobicContact CG1-CB 4.08Å; V53-H63 CarbonylContact C-O 3.53Å; V53-H63 WeakPolarHBondContact CA-O 3.25Å; V53-L64 HydrophobicContact CG2-CD1 4.31Å
54I90.7Very high87.4Confident63 Ų6347 Ų4732%0.32329%0.29SS..EExtended strand (participates in β ladder)trans-112169.6-176.966.5167.8000111.3T18 H63 R65T18-I54 HydrophobicContact CG2-CD1 4.18Å; I54-H63 HydrophobicContact CG1-CB 4.12Å; I54-H63 PolarHBondContact N-O 3.39Å; I54-H63 PolarHBondContact O-N 2.83Å; I54-R65 HydrophobicContact CD1-CB 3.8Å; I54-R65 HydrophobicContact CD1-CG 4.38Å; I54-R65 HydrophobicContact CG1-CB 4.01Å; I54-R65 HydrophobicContact CG2-CB 4.11Å
55G86.9Confident88.1Confident27 Ų2744.9 Ų44.928%0.27827%0.272SS..SBendtrans100.5166.2-174.200000113.2R43 H57R43-G55 PolarHBondContact NH2-O 3.4Å; G55-H57 PolarHBondContact O-ND1 3.47Å
56D87Confident88.4Confident81 Ų8144.7 Ų44.743%0.43327%0.271SS..  trans-83.7111.9177.3170.740.1000112.4G58 S59 G60 Q61D56-G58 PolarHBondContact O-N 3.28Å; D56-G58 PolarHBondContact OD1-N 3.44Å; D56-S59 WeakPolarHBondContact CB-OG 3.45Å; D56-S59 PolarHBondContact O-N 2.92Å; D56-S59 PolarHBondContact O-OG 2.78Å; D56-S59 VanDerWaalsContact OD2-CB 3.29Å; D56-S59 WeakPolarHBondContact OD2-CB 3.31Å; D56-S59 PolarHBondContact OD2-N 2.83Å; D56-S59 PolarHBondContact OD2-OG 3.47Å; D56-G60 PolarHBondContact O-N 3.48Å; D56-Q61 CarbonylContact C-O 3.59Å; D56-Q61 WeakPolarHBondContact O-CB 3.3Å; D56-Q61 PolarHBondContact O-N 2.85Å
57H84.3Confident89Confident54 Ų5444 Ų4425%0.2525%0.254CS..THydrogen-bonded Turntrans-72.1-17178.3-582.1000112.3R43 G55 G60 Q61 H62R43-H57 WeakPolarHBondContact CG-NE2 3.42Å; R43-H57 PolarHBondContact NE-CE1 2.83Å; R43-H57 PolarHBondContact NE-NE2 3.27Å; R43-H57 PolarHBondContact NH2-ND1 2.89Å; G55-H57 PolarHBondContact O-ND1 3.47Å; H57-G60 PolarHBondContact O-N 3.46Å; H57-Q61 PolarHBondContact ND1-O 2.85Å; H57-H62 AromaticContact CD2-CE1 3.86Å; H57-H62 AromaticContact CD2-ND1 3.88Å; H57-H62 AromaticContact CE1-ND1 3.58Å; H57-H62 AromaticContact CG-CE1 3.45Å; H57-H62 VanDerWaalsContact CG-CE1 3.45Å; H57-H62 AromaticContact CG-ND1 3.63Å; H57-H62 AromaticContact ND1-CE1 3.68Å; H57-H62 AromaticContact ND1-ND1 3.42Å; H57-H62 PolarHBondContact ND1-ND1 3.22Å; H57-H62 AromaticContact NE2-ND1 3.88Å
58G80.1Confident89.4Confident44 Ų4448.3 Ų48.345%0.45425%0.252SS..THydrogen-bonded Turntrans-66.7-40.3172.700000112.3H27 D56H27-G58 PolarHBondContact CE1-O 3.28Å; H27-G58 PolarHBondContact ND1-O 2.81Å; D56-G58 PolarHBondContact O-N 3.28Å; D56-G58 PolarHBondContact OD1-N 3.44Å
59S82.6Confident89.5Confident51 Ų5145.2 Ų45.236%0.35724%0.241SC..THydrogen-bonded Turntrans-88.93.5172.152.90000114.3D56D56-S59 WeakPolarHBondContact CB-OG 3.45Å; D56-S59 PolarHBondContact O-N 2.92Å; D56-S59 PolarHBondContact O-OG 2.78Å; D56-S59 VanDerWaalsContact OD2-CB 3.29Å; D56-S59 WeakPolarHBondContact OD2-CB 3.31Å; D56-S59 PolarHBondContact OD2-N 2.83Å; D56-S59 PolarHBondContact OD2-OG 3.47Å
60G85.8Confident89.5Confident0 Ų043.4 Ų43.40%022%0.222CC..THydrogen-bonded Turntrans8322.9175.300000115.1T22 I23 D56 H57 H62T22-G60 CarbonylContact C-O 3.59Å; T22-G60 WeakPolarHBondContact CA-O 3.31Å; I23-G60 PolarHBondContact N-O 3.01Å; I23-G60 WeakPolarHBondContact O-CA 3.44Å; D56-G60 PolarHBondContact O-N 3.48Å; H57-G60 PolarHBondContact O-N 3.46Å; G60-H62 PolarHBondContact O-CD2 2.75Å; G60-H62 VanDerWaalsContact O-CD2 3.29Å
61Q91.3Very high89.1Confident71 Ų7143 Ų4333%0.33222%0.223SC..BIsolated β-bridgetrans-89.3125176-70.5175.9900111.7T22 D56 H57 H63T22-Q61 HydrophobicContact CG2-CG 3.9Å; D56-Q61 CarbonylContact C-O 3.59Å; D56-Q61 WeakPolarHBondContact O-CB 3.3Å; D56-Q61 PolarHBondContact O-N 2.85Å; H57-Q61 PolarHBondContact ND1-O 2.85Å; Q61-H63 VanDerWaalsContact CB-NE2 3.35Å; Q61-H63 WeakPolarHBondContact CB-NE2 3.38Å; Q61-H63 WeakPolarHBondContact CG-NE2 3.43Å
62H91.6Very high88.6Confident9 Ų949.3 Ų49.34%0.04225%0.254CS..  trans-141.252.2-174.5-59.4-84.7000111.5C21 V30 W32 V53 H57 G60C21-H62 CarbonylContact O-C 3.6Å; C21-H62 PolarHBondContact O-N 3Å; V30-H62 HydrophobicContact CB-CB 4.18Å; V30-H62 HydrophobicContact CG1-CB 3.92Å; V30-H62 HydrophobicContact CG2-CB 4.49Å; W32-H62 PolarHBondContact NE1-O 2.88Å; V53-H62 HydrophobicContact CG1-CB 4.08Å; H57-H62 AromaticContact CD2-CE1 3.86Å; H57-H62 AromaticContact CD2-ND1 3.88Å; H57-H62 AromaticContact CE1-ND1 3.58Å; H57-H62 AromaticContact CG-CE1 3.45Å; H57-H62 VanDerWaalsContact CG-CE1 3.45Å; H57-H62 AromaticContact CG-ND1 3.63Å; H57-H62 AromaticContact ND1-CE1 3.68Å; H57-H62 AromaticContact ND1-ND1 3.42Å; H57-H62 PolarHBondContact ND1-ND1 3.22Å; H57-H62 AromaticContact NE2-ND1 3.88Å; G60-H62 PolarHBondContact O-CD2 2.75Å; G60-H62 VanDerWaalsContact O-CD2 3.29Å
63H93.9Very high88.3Confident16 Ų1648.2 Ų48.27%0.07425%0.248CC..EExtended strand (participates in β ladder)trans-75.1135.4-175.6-41.7-102.8000110.8T18 L19 E20 C21 T22 V53 I54 Q61T18-H63 HydrophobicContact CG2-CB 3.66Å; L19-H63 CarbonylContact O-C 3.54Å; L19-H63 WeakPolarHBondContact O-CA 3.49Å; E20-H63 IonicContact OE1-ND1 2.77Å; E20-H63 IonicContact OE2-CE1 3.14Å; E20-H63 PolarHBondContact OE2-CE1 3.27Å; E20-H63 IonicContact OE2-CG 2.71Å; E20-H63 IonicContact OE2-ND1 2.67Å; E20-H63 PolarHBondContact OE2-ND1 3.33Å; C21-H63 PolarHBondContact N-ND1 3.41Å; T22-H63 PolarHBondContact OG1-CE1 3.04Å; T22-H63 VanDerWaalsContact OG1-CE1 3.3Å; V53-H63 CarbonylContact C-O 3.53Å; V53-H63 WeakPolarHBondContact CA-O 3.25Å; I54-H63 HydrophobicContact CG1-CB 4.12Å; I54-H63 PolarHBondContact N-O 3.39Å; I54-H63 PolarHBondContact O-N 2.83Å; Q61-H63 VanDerWaalsContact CB-NE2 3.35Å; Q61-H63 WeakPolarHBondContact CB-NE2 3.38Å; Q61-H63 WeakPolarHBondContact CG-NE2 3.43Å
64L94.1Very high88.1Confident0 Ų049.3 Ų49.30%025%0.253CS..EExtended strand (participates in β ladder)trans-89.5111.8178.2-177.366.2000110.4T18 L19 W32 L39 L45 Y51 V53 F77T18-L64 CarbonylContact C-O 3.53Å; T18-L64 VanDerWaalsContact CA-O 3.31Å; T18-L64 WeakPolarHBondContact CA-O 3.48Å; L19-L64 HydrophobicContact CB-CB 4.39Å; L19-L64 PolarHBondContact N-O 3.4Å; L19-L64 PolarHBondContact O-N 3.36Å; W32-L64 HydrophobicContact CB-CD2 4.19Å; W32-L64 HydrophobicContact CD2-CB 3.7Å; W32-L64 HydrophobicContact CD2-CD2 3.89Å; W32-L64 HydrophobicContact CD2-CG 4.33Å; W32-L64 VanDerWaalsContact CE2-CB 3.49Å; W32-L64 HydrophobicContact CE3-CB 4.21Å; W32-L64 HydrophobicContact CE3-CD2 3.93Å; W32-L64 HydrophobicContact CG-CB 4.05Å; W32-L64 HydrophobicContact CG-CD1 4.29Å; W32-L64 HydrophobicContact CG-CD2 4.01Å; W32-L64 HydrophobicContact CG-CG 4.36Å; W32-L64 HydrophobicContact CH2-CB 4.27Å; W32-L64 HydrophobicContact CZ2-CB 3.78Å; W32-L64 HydrophobicContact CZ3-CB 4.47Å; L39-L64 HydrophobicContact CD1-CD2 3.95Å; L45-L64 HydrophobicContact CD1-CD1 3.64Å; Y51-L64 HydrophobicContact CD1-CD1 4.16Å; Y51-L64 HydrophobicContact CD1-CD2 4.13Å; Y51-L64 HydrophobicContact CD1-CG 4.34Å; Y51-L64 HydrophobicContact CE1-CD2 4.49Å; V53-L64 HydrophobicContact CG2-CD1 4.31Å; L64-F77 HydrophobicContact CD2-CD1 3.7Å; L64-F77 HydrophobicContact CD2-CE1 3.82Å
65R93.9Very high88.1Confident81 Ų8146.3 Ų46.331%0.30624%0.238SC..EExtended strand (participates in β ladder)trans-98.2119173.6174.766.472.1158.17.5110.4V17 T18 T52 I54V17-R65 WeakPolarHBondContact O-CA 3.36Å; T18-R65 PolarHBondContact OG1-NE 3.4Å; T18-R65 PolarHBondContact OG1-NH2 3.35Å; T52-R65 PolarHBondContact N-O 2.98Å; T52-R65 PolarHBondContact O-N 3.34Å; T52-R65 PolarHBondContact OG1-O 2.86Å; T52-R65 VanDerWaalsContact OG1-O 3.14Å; I54-R65 HydrophobicContact CD1-CB 3.8Å; I54-R65 HydrophobicContact CD1-CG 4.38Å; I54-R65 HydrophobicContact CG1-CB 4.01Å; I54-R65 HydrophobicContact CG2-CB 4.11Å
66I94.2Very high88.4Confident1 Ų146.9 Ų46.91%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-95.1122.2167-56.3171.5000107.3P16 V17 R50 Y51 V69 D73 F77 L93P16-I66 CarbonylContact C-O 3.46Å; P16-I66 WeakPolarHBondContact CA-O 3.34Å; V17-I66 PolarHBondContact N-O 3.22Å; V17-I66 PolarHBondContact O-N 2.87Å; R50-I66 CarbonylContact O-C 3.58Å; R50-I66 WeakPolarHBondContact O-CA 3.47Å; Y51-I66 HydrophobicContact CD1-CD1 4.04Å; Y51-I66 HydrophobicContact CD1-CG1 3.62Å; Y51-I66 HydrophobicContact CE1-CD1 3.49Å; Y51-I66 VanDerWaalsContact CE1-CD1 3.49Å; Y51-I66 HydrophobicContact CE1-CG1 3.61Å; Y51-I66 HydrophobicContact CG-CG1 4.22Å; I66-V69 HydrophobicContact CB-CG2 4.02Å; I66-V69 HydrophobicContact CG2-CG2 3.78Å; I66-D73 HydrophobicContact CD1-CB 4.42Å; I66-F77 HydrophobicContact CD1-CZ 4.23Å; I66-L93 HydrophobicContact CD1-CD2 3.4Å; I66-L93 VanDerWaalsContact CD1-CD2 3.4Å
67Q89.5Confident88.8Confident108 Ų10843 Ų4351%0.50522%0.215SC..SBendtrans-77-38-170.8-66.2-176.9-2.600114P16 R50P16-Q67 WeakPolarHBondContact CA-O 3.48Å; P16-Q67 WeakPolarHBondContact CB-O 3.44Å; R50-Q67 PolarHBondContact O-N 3.25Å
68R88.3Confident89.2Confident149 Ų14941.3 Ų41.356%0.56221%0.207SC*.SBendtrans-138.1107.3173.3-68.8-171.8-65.7129.11.6107R50R50-R68 PolarHBondContact NH1-O 3.49Å
69V89Confident89.8Confident2 Ų239.2 Ų39.21%0.01219%0.185CC..  trans-74.4130.2-177.9175.40000110.5A11 A13 G14 Q15 V17 I66 D73 V95A11-V69 HydrophobicContact CB-CB 4.4Å; A11-V69 HydrophobicContact CB-CG1 3.83Å; A11-V69 HydrophobicContact CB-CG2 4.41Å; A13-V69 CarbonylContact C-O 3.56Å; A13-V69 WeakPolarHBondContact CA-O 3.36Å; G14-V69 PolarHBondContact N-O 2.95Å; Q15-V69 WeakPolarHBondContact O-CB 3.5Å; Q15-V69 VanDerWaalsContact O-CG2 3.3Å; Q15-V69 WeakPolarHBondContact O-CG2 3.47Å; Q15-V69 PolarHBondContact O-N 2.92Å; V17-V69 HydrophobicContact CB-CG2 3.81Å; V17-V69 HydrophobicContact CG2-CG2 3.82Å; I66-V69 HydrophobicContact CB-CG2 4.02Å; I66-V69 HydrophobicContact CG2-CG2 3.78Å; V69-D73 WeakPolarHBondContact CA-OD2 3.41Å; V69-D73 HydrophobicContact CG1-CB 4.33Å; V69-V95 HydrophobicContact CG1-CB 4.13Å; V69-V95 HydrophobicContact CG1-CG1 3.67Å; V69-V95 HydrophobicContact CG1-CG2 3.31Å
70E87Confident90.2Very high74 Ų7439 Ų3935%0.34618%0.179SC..  trans-115.7161179.3-70.4172.2-177.600111.1R50 M72 D73 V95R50-E70 WeakPolarHBondContact CD-OE1 3.4Å; R50-E70 IonicContact CZ-OE1 3.55Å; R50-E70 IonicContact CZ-OE2 2.7Å; R50-E70 IonicContact NE-OE1 3.05Å; R50-E70 PolarHBondContact NE-OE1 2.88Å; R50-E70 IonicContact NE-OE2 3.15Å; R50-E70 PolarHBondContact NE-OE2 2.94Å; R50-E70 VanDerWaalsContact NH2-CD 3.35Å; R50-E70 IonicContact NH2-OE2 3.24Å; R50-E70 PolarHBondContact NH2-OE2 3.38Å; E70-M72 PolarHBondContact O-N 3.44Å; E70-D73 PolarHBondContact N-OD2 3.06Å; E70-D73 PolarHBondContact O-N 3.32Å; E70-V95 WeakPolarHBondContact O-CG1 3.46Å
71L82.4Confident90.5Very high29 Ų2939 Ų3915%0.15218%0.179CC..THydrogen-bonded Turntrans-54.7-16.7176.9-75.6168.3000114.2D74 V98 K129 R157L71-D74 WeakPolarHBondContact O-CB 3.34Å; L71-V98 HydrophobicContact CD2-CG2 4.02Å; L71-K129 HydrophobicContact CD2-CD 3.79Å; L71-R157 PolarHBondContact O-NH1 2.83Å
72M82.4Confident90Very high139 Ų13939.9 Ų39.969%0.68519%0.189SC*.THydrogen-bonded Turntrans-87.2-4.6176.5-63.3-174.970.300114.1K34 E70 D74K34-M72 PolarHBondContact NZ-O 3.36Å; E70-M72 PolarHBondContact O-N 3.44Å; M72-D74 VanDerWaalsContact C-N 3.29Å
73D87.8Confident89.8Confident1 Ų146 Ų461%0.00522%0.217CC..  trans-933.5176.7-44.7-29000112.1K34 R50 Y51 I66 V69 E70 A75 L93 V95K34-D73 IonicContact NZ-OD1 2.71Å; R50-D73 IonicContact CZ-OD1 3.37Å; R50-D73 IonicContact CZ-OD2 3.85Å; R50-D73 IonicContact NH1-OD1 2.94Å; R50-D73 PolarHBondContact NH1-OD1 3.42Å; R50-D73 IonicContact NH1-OD2 2.78Å; R50-D73 PolarHBondContact NH1-OD2 2.96Å; R50-D73 IonicContact NH2-OD1 2.94Å; R50-D73 PolarHBondContact NH2-OD1 3.1Å; R50-D73 IonicContact NH2-OD2 3.12Å; R50-D73 PolarHBondContact NH2-OD2 2.95Å; Y51-D73 PolarHBondContact OH-OD1 3.34Å; I66-D73 HydrophobicContact CD1-CB 4.42Å; V69-D73 WeakPolarHBondContact CA-OD2 3.41Å; V69-D73 HydrophobicContact CG1-CB 4.33Å; E70-D73 PolarHBondContact N-OD2 3.06Å; E70-D73 PolarHBondContact O-N 3.32Å; D73-A75 PolarHBondContact O-N 3.46Å; D73-L93 HydrophobicContact CB-CD2 4.05Å; D73-L93 WeakPolarHBondContact O-CD2 3.48Å; D73-V95 HydrophobicContact CB-CG2 4.05Å
74D87.2Confident89.3Confident35 Ų3547.3 Ų47.319%0.18723%0.231CC..  trans-68.785.9175.7-153.5-22.6000110L71 M72 L93 V95 H96 K129L71-D74 WeakPolarHBondContact O-CB 3.34Å; M72-D74 VanDerWaalsContact C-N 3.29Å; D74-L93 WeakPolarHBondContact CA-O 3.18Å; D74-V95 HydrophobicContact CB-CB 4.05Å; D74-V95 HydrophobicContact CB-CG2 4.24Å; D74-H96 VanDerWaalsContact CG-CE1 3.44Å; D74-H96 IonicContact OD1-CE1 3.26Å; D74-H96 PolarHBondContact OD1-CE1 2.83Å; D74-H96 IonicContact OD1-ND1 3.92Å; D74-H96 PolarHBondContact OD1-ND1 2.79Å; D74-H96 IonicContact OD2-CE1 2.67Å; D74-H96 PolarHBondContact OD2-CE1 3.03Å; D74-H96 IonicContact OD2-ND1 3.77Å; D74-H96 PolarHBondContact OD2-ND1 2.85Å; D74-K129 IonicContact OD2-NZ 2.6Å; D74-K129 PolarHBondContact OD2-NZ 3.24Å
75A89.8Confident88.9Confident1 Ų152 Ų521%0.00827%0.27CS..EExtended strand (participates in β ladder)trans-157.2164.7-159.600000112.7K34 D35 D73 F77 L93K34-A75 HydrophobicContact CD-CB 4.19Å; K34-A75 VanDerWaalsContact CE-CB 3.48Å; K34-A75 HydrophobicContact CG-CB 3.65Å; D35-A75 WeakPolarHBondContact OD2-CB 3.38Å; D73-A75 PolarHBondContact O-N 3.46Å; A75-F77 HydrophobicContact CB-CD2 4.35Å; A75-F77 HydrophobicContact CB-CE2 3.74Å; A75-F77 HydrophobicContact CB-CZ 4.25Å; A75-L93 PolarHBondContact N-O 2.83Å; A75-L93 VanDerWaalsContact N-O 3.11Å; A75-L93 PolarHBondContact O-N 2.83Å
76V93.8Very high88.7Confident39 Ų3950.5 Ų50.524%0.23627%0.267CS..EExtended strand (participates in β ladder)trans-94125.9171.3-178.40000110K34 D35 P90K34-V76 CarbonylContact C-O 3.49Å; K34-V76 WeakPolarHBondContact CA-O 3.36Å; D35-V76 PolarHBondContact N-O 3.03Å; D35-V76 PolarHBondContact OD1-N 2.83Å; V76-P90 HydrophobicContact CG1-CB 3.53Å
77F94.9Very high88.6Confident0 Ų058 Ų580%030%0.295CS..EExtended strand (participates in β ladder)trans-113.1144.5-178.1-72.7-90.5000112.5L19 W32 I33 K34 L39 Y51 L64 I66 A75 A91 L93L19-F77 HydrophobicContact CD1-CB 3.48Å; L19-F77 VanDerWaalsContact CD1-CB 3.48Å; L19-F77 HydrophobicContact CD1-CD1 4.06Å; L19-F77 HydrophobicContact CD1-CD2 3.69Å; L19-F77 HydrophobicContact CD1-CE2 4.43Å; L19-F77 HydrophobicContact CD1-CG 3.46Å; L19-F77 VanDerWaalsContact CD1-CG 3.46Å; W32-F77 HydrophobicContact CE3-CB 4.25Å; W32-F77 HydrophobicContact CZ3-CB 4.08Å; I33-F77 VanDerWaalsContact O-CA 3.27Å; I33-F77 WeakPolarHBondContact O-CA 3.38Å; K34-F77 HydrophobicContact CB-CD1 4.09Å; K34-F77 HydrophobicContact CB-CE1 3.71Å; K34-F77 HydrophobicContact CB-CZ 4.22Å; K34-F77 HydrophobicContact CD-CE1 3.96Å; K34-F77 HydrophobicContact CD-CZ 3.74Å; K34-F77 HydrophobicContact CG-CD1 4.36Å; K34-F77 HydrophobicContact CG-CE1 3.71Å; K34-F77 HydrophobicContact CG-CE2 4.29Å; K34-F77 HydrophobicContact CG-CZ 3.67Å; L39-F77 HydrophobicContact CD1-CE1 4.13Å; Y51-F77 AromaticContact CE1-CE1 3.78Å; Y51-F77 HydrophobicContact CE1-CE1 3.78Å; Y51-F77 AromaticContact CE1-CZ 3.89Å; Y51-F77 HydrophobicContact CE1-CZ 3.89Å; L64-F77 HydrophobicContact CD2-CD1 3.7Å; L64-F77 HydrophobicContact CD2-CE1 3.82Å; I66-F77 HydrophobicContact CD1-CZ 4.23Å; A75-F77 HydrophobicContact CB-CD2 4.35Å; A75-F77 HydrophobicContact CB-CE2 3.74Å; A75-F77 HydrophobicContact CB-CZ 4.25Å; F77-A91 PolarHBondContact N-O 3.04Å; F77-A91 PolarHBondContact O-N 3.42Å; F77-L93 HydrophobicContact CD2-CB 3.68Å; F77-L93 HydrophobicContact CD2-CD2 4.48Å; F77-L93 HydrophobicContact CE2-CB 3.6Å; F77-L93 HydrophobicContact CE2-CD2 3.77Å; F77-L93 HydrophobicContact CE2-CG 4.31Å; F77-L93 HydrophobicContact CZ-CD2 4.31Å
78E94.3Very high88.8Confident17 Ų1753.1 Ų53.18%0.07927%0.273CS..EExtended strand (participates in β ladder)trans-142.9147.3176.3-67173.6172.600111.7W32 I33 Q80 R87 P90W32-E78 WeakPolarHBondContact CA-O 3.45Å; W32-E78 VanDerWaalsContact CE3-O 3.26Å; I33-E78 HydrophobicContact CB-CB 4.28Å; I33-E78 PolarHBondContact N-O 3.49Å; I33-E78 PolarHBondContact O-N 2.9Å; E78-Q80 PolarHBondContact OE2-NE2 2.69Å; E78-R87 IonicContact OE1-CZ 3.31Å; E78-R87 IonicContact OE1-NE 2.69Å; E78-R87 PolarHBondContact OE1-NE 3.18Å; E78-R87 IonicContact OE1-NH2 2.85Å; E78-R87 PolarHBondContact OE1-NH2 3.48Å; E78-R87 IonicContact OE2-CZ 3.1Å; E78-R87 IonicContact OE2-NE 2.66Å; E78-R87 PolarHBondContact OE2-NE 3.26Å; E78-R87 IonicContact OE2-NH2 3.84Å; E78-R87 PolarHBondContact OE2-NH2 3.07Å; E78-P90 HydrophobicContact CG-CB 4.09Å
79C92.1Very high88.9Confident0 Ų050.8 Ų50.80%026%0.264CS..EExtended strand (participates in β ladder)trans-106.1122175.4-175.60000109.2C21 V30 W32 S88C21-C79 HydrophobicContact CB-CB 3.64Å; C21-C79 WeakPolarHBondContact CB-SG 3.42Å; C21-C79 WeakPolarHBondContact SG-CB 3.43Å; C21-C79 CovalentContact SG-SG 2.03Å; C21-C79 PolarHBondContact SG-SG 3.2Å; V30-C79 WeakPolarHBondContact CG1-SG 3.31Å; W32-C79 HydrophobicContact CD2-CB 4.27Å; W32-C79 HydrophobicContact CE3-CB 4.31Å; W32-C79 HydrophobicContact CH2-CB 4Å; W32-C79 HydrophobicContact CZ2-CB 3.94Å; W32-C79 HydrophobicContact CZ3-CB 4.18Å; C79-S88 PolarHBondContact N-OG 3.04Å; C79-S88 PolarHBondContact O-N 2.98Å; C79-S88 PolarHBondContact O-OG 3.22Å
80Q91.9Very high89.1Confident47 Ų4754.1 Ų54.122%0.2229%0.286CS..EExtended strand (participates in β ladder)trans-125.9122.1-174.3-60.5-166.97.200112V30 L31 I33 E78 V82 M86 R87V30-Q80 WeakPolarHBondContact CA-O 3.35Å; L31-Q80 PolarHBondContact N-O 3.26Å; L31-Q80 PolarHBondContact O-N 2.93Å; I33-Q80 HydrophobicContact CG1-CG 3.98Å; E78-Q80 PolarHBondContact OE2-NE2 2.69Å; Q80-V82 PolarHBondContact O-N 3.46Å; Q80-M86 CarbonylContact C-O 3.22Å; Q80-M86 WeakPolarHBondContact CA-O 3.43Å; Q80-R87 HydrophobicContact CG-CB 4.24Å; Q80-R87 HydrophobicContact CG-CG 4.01Å
81A90.1Very high89.4Confident0 Ų050.6 Ų50.60%027%0.269CS..EExtended strand (participates in β ladder)trans-92.691.7172.300000109.2I23 Y26 V30 Q83 A84 A85 M86I23-A81 HydrophobicContact CD1-CB 3.73Å; Y26-A81 HydrophobicContact CD1-CB 4.12Å; Y26-A81 HydrophobicContact CE1-CB 3.53Å; Y26-A81 HydrophobicContact CE2-CB 4.17Å; V30-A81 HydrophobicContact CG2-CB 4.38Å; A81-Q83 PolarHBondContact O-N 3.3Å; A81-A84 HydrophobicContact CB-CB 4.39Å; A81-A84 CarbonylContact O-C 3.59Å; A81-A84 PolarHBondContact O-N 2.95Å; A81-A84 VanDerWaalsContact O-N 3.12Å; A81-A85 PolarHBondContact O-N 2.63Å; A81-A85 VanDerWaalsContact O-N 3.14Å; A81-M86 HydrophobicContact CB-CB 4.16Å; A81-M86 PolarHBondContact N-O 2.82Å; A81-M86 PolarHBondContact O-N 2.92Å
82V82.8Confident89.8Confident89 Ų8954.9 Ų54.954%0.53928%0.283SS..G310 helixtrans-58.8-43.4-165.9-176.10000112.3I29 L31 Q80 A84 A85I29-V82 PolarHBondContact O-N 2.7Å; L31-V82 HydrophobicContact CB-CG2 4.11Å; L31-V82 HydrophobicContact CD2-CG2 4.34Å; Q80-V82 PolarHBondContact O-N 3.46Å; V82-A84 VanDerWaalsContact C-N 3.28Å; V82-A84 PolarHBondContact O-N 2.84Å; V82-A85 PolarHBondContact O-N 3.04Å
83Q85.7Confident90.1Very high138 Ų13848.2 Ų48.265%0.64525%0.251SS*.G310 helixtrans-73.5-19-176.8-61.5171.1-76.400113.2G28 A81G28-Q83 VanDerWaalsContact CA-OE1 3.22Å; A81-Q83 PolarHBondContact O-N 3.3Å
84A85Confident89.9Confident44 Ų4449.2 Ų49.236%0.36426%0.257SS..G310 helixtrans-102.22.5176.500000113.3Y26 A81 V82 M86Y26-A84 HydrophobicContact CD2-CB 4.2Å; Y26-A84 HydrophobicContact CE2-CB 3.7Å; A81-A84 HydrophobicContact CB-CB 4.39Å; A81-A84 CarbonylContact O-C 3.59Å; A81-A84 PolarHBondContact O-N 2.95Å; A81-A84 VanDerWaalsContact O-N 3.12Å; V82-A84 VanDerWaalsContact C-N 3.28Å; V82-A84 PolarHBondContact O-N 2.84Å; A84-M86 HydrophobicContact CB-CB 4.46Å; A84-M86 HydrophobicContact CB-CG 4.11Å; A84-M86 HydrophobicContact CB-SD 4.19Å; A84-M86 PolarHBondContact O-N 2.65Å; A84-M86 VanDerWaalsContact O-N 3.1Å
85A85.3Confident89.3Confident99 Ų9947.6 Ų47.682%0.81825%0.248SC*.THydrogen-bonded Turntrans50.429.7-172.600000114.2A81 V82A81-A85 PolarHBondContact O-N 2.63Å; A81-A85 VanDerWaalsContact O-N 3.14Å; V82-A85 PolarHBondContact O-N 3.04Å
86M89Confident88.1Confident48 Ų4851.3 Ų51.324%0.23627%0.265CS..EExtended strand (participates in β ladder)trans-98.4130.4-178.2-76.2178.248.300111.2F2 I23 Q80 A81 A84F2-M86 HydrophobicContact CD2-CE 3.62Å; F2-M86 HydrophobicContact CE2-CB 3.93Å; F2-M86 HydrophobicContact CE2-CE 3.59Å; F2-M86 HydrophobicContact CG-CE 4.21Å; F2-M86 HydrophobicContact CZ-CB 4.17Å; F2-M86 HydrophobicContact CZ-CE 4.17Å; I23-M86 HydrophobicContact CG2-CE 3.8Å; Q80-M86 CarbonylContact C-O 3.22Å; Q80-M86 WeakPolarHBondContact CA-O 3.43Å; A81-M86 HydrophobicContact CB-CB 4.16Å; A81-M86 PolarHBondContact N-O 2.82Å; A81-M86 PolarHBondContact O-N 2.92Å; A84-M86 HydrophobicContact CB-CB 4.46Å; A84-M86 HydrophobicContact CB-CG 4.11Å; A84-M86 HydrophobicContact CB-SD 4.19Å; A84-M86 PolarHBondContact O-N 2.65Å; A84-M86 VanDerWaalsContact O-N 3.1Å
87R91.9Very high87.1Confident160 Ų16049.8 Ų49.860%0.60426%0.256SS*.EExtended strand (participates in β ladder)trans-123.5131.7178.1177.6172.4-177.3-175.33.4109.5F2 E78 Q80F2-R87 VanDerWaalsContact CE2-C 3.42Å; F2-R87 WeakPolarHBondContact CE2-O 3.23Å; F2-R87 VanDerWaalsContact CZ-C 3.5Å; E78-R87 IonicContact OE1-CZ 3.31Å; E78-R87 IonicContact OE1-NE 2.69Å; E78-R87 PolarHBondContact OE1-NE 3.18Å; E78-R87 IonicContact OE1-NH2 2.85Å; E78-R87 PolarHBondContact OE1-NH2 3.48Å; E78-R87 IonicContact OE2-CZ 3.1Å; E78-R87 IonicContact OE2-NE 2.66Å; E78-R87 PolarHBondContact OE2-NE 3.26Å; E78-R87 IonicContact OE2-NH2 3.84Å; E78-R87 PolarHBondContact OE2-NH2 3.07Å; Q80-R87 HydrophobicContact CG-CB 4.24Å; Q80-R87 HydrophobicContact CG-CG 4.01Å
88S93.1Very high86.6Confident5 Ų550.4 Ų50.44%0.03526%0.259CS..PPolyproline II helixtrans-68.9165.8172.774.50000110.4F2 C79F2-S88 VanDerWaalsContact CZ-N 3.26Å; C79-S88 PolarHBondContact N-OG 3.04Å; C79-S88 PolarHBondContact O-N 2.98Å; C79-S88 PolarHBondContact O-OG 3.22Å
89R92Very high86.3Confident100 Ų10051.8 Ų51.838%0.37727%0.27SS..PPolyproline II helixtrans-57.7149.1160.869.2-163.9168.383.610.4110.8Q5 P6Q5-R89 HydrophobicContact CB-CG 4.22Å; Q5-R89 PolarHBondContact O-NH2 3.45Å; Q5-R89 VanDerWaalsContact OE1-CG 3.3Å; P6-R89 VanDerWaalsContact C-NH2 3.29Å; P6-R89 PolarHBondContact O-NH1 2.86Å; P6-R89 VanDerWaalsContact O-NH1 3.08Å; P6-R89 PolarHBondContact O-NH2 2.83Å
90P92.8Very high86.2Confident71 Ų7151.8 Ų51.846%0.46127%0.27SS..PPolyproline II helixtrans-64.4146.8168.727.3-34.1000110.9V76 E78V76-P90 HydrophobicContact CG1-CB 3.53Å; E78-P90 HydrophobicContact CG-CB 4.09Å
91A93.9Very high86.2Confident0 Ų053 Ų530%028%0.278CS..EExtended strand (participates in β ladder)trans-133122177.200000110P6 D8 F77 L93P6-A91 HydrophobicContact CB-CB 3.59Å; P6-A91 HydrophobicContact CG-CB 3.84Å; P6-A91 WeakPolarHBondContact O-CB 3.44Å; D8-A91 WeakPolarHBondContact OD1-CA 2.95Å; F77-A91 PolarHBondContact N-O 3.04Å; F77-A91 PolarHBondContact O-N 3.42Å; A91-L93 PolarHBondContact O-N 2.9Å
92R90.9Very high86.4Confident119 Ų11958.5 Ų58.545%0.44931%0.307SS..EExtended strand (participates in β ladder)trans-83.9112.1177.4-176.5175.8-81.5-79.5-3.4110.3D8 V9 T94D8-R92 WeakPolarHBondContact CA-O 3.44Å; D8-R92 PolarHBondContact OD1-N 3.02Å; V9-R92 PolarHBondContact N-O 3.1Å; V9-R92 VanDerWaalsContact N-O 3.15Å; R92-T94 WeakPolarHBondContact CG-OG1 3.49Å; R92-T94 PolarHBondContact O-N 3.47Å
93L88.9Confident87Confident0 Ų054.5 Ų54.50%028%0.284CS..EExtended strand (participates in β ladder)trans-78.2112163.2179.759.5000108.1V9 A11 V17 I66 D73 D74 A75 F77 A91 V95V9-L93 HydrophobicContact CB-CD1 4.18Å; V9-L93 HydrophobicContact CG1-CD1 4.32Å; A11-L93 HydrophobicContact CB-CD1 3.85Å; V17-L93 HydrophobicContact CG1-CD1 3.94Å; I66-L93 HydrophobicContact CD1-CD2 3.4Å; I66-L93 VanDerWaalsContact CD1-CD2 3.4Å; D73-L93 HydrophobicContact CB-CD2 4.05Å; D73-L93 WeakPolarHBondContact O-CD2 3.48Å; D74-L93 WeakPolarHBondContact CA-O 3.18Å; A75-L93 PolarHBondContact N-O 2.83Å; A75-L93 VanDerWaalsContact N-O 3.11Å; A75-L93 PolarHBondContact O-N 2.83Å; F77-L93 HydrophobicContact CD2-CB 3.68Å; F77-L93 HydrophobicContact CD2-CD2 4.48Å; F77-L93 HydrophobicContact CE2-CB 3.6Å; F77-L93 HydrophobicContact CE2-CD2 3.77Å; F77-L93 HydrophobicContact CE2-CG 4.31Å; F77-L93 HydrophobicContact CZ-CD2 4.31Å; A91-L93 PolarHBondContact O-N 2.9Å; L93-V95 HydrophobicContact CD2-CG2 4.43Å; L93-V95 HydrophobicContact CG-CG2 4.11Å
94T81.9Confident87.5Confident22 Ų2252.2 Ų52.214%0.13528%0.279CS..EExtended strand (participates in β ladder)trans-102.192.6-172.9-57.80000108.8V9 V10 A11 R92 H96V9-T94 PolarHBondContact O-N 3.13Å; V10-T94 HydrophobicContact CG2-CG2 4.42Å; A11-T94 PolarHBondContact N-O 3.14Å; R92-T94 WeakPolarHBondContact CG-OG1 3.49Å; R92-T94 PolarHBondContact O-N 3.47Å; T94-H96 HydrophobicContact CG2-CB 3.74Å; T94-H96 VanDerWaalsContact CG2-CD2 3.41Å; T94-H96 WeakPolarHBondContact CG2-CD2 3.38Å; T94-H96 PolarHBondContact O-N 2.75Å
95V75.6Confident88Confident0 Ų050.6 Ų50.60%026%0.264CS..EExtended strand (participates in β ladder)trans-8465.7177.2-1650000109.8V69 E70 D73 D74 L93 K129V69-V95 HydrophobicContact CG1-CB 4.13Å; V69-V95 HydrophobicContact CG1-CG1 3.67Å; V69-V95 HydrophobicContact CG1-CG2 3.31Å; E70-V95 WeakPolarHBondContact O-CG1 3.46Å; D73-V95 HydrophobicContact CB-CG2 4.05Å; D74-V95 HydrophobicContact CB-CB 4.05Å; D74-V95 HydrophobicContact CB-CG2 4.24Å; L93-V95 HydrophobicContact CD2-CG2 4.43Å; L93-V95 HydrophobicContact CG-CG2 4.11Å; V95-K129 PolarHBondContact O-NZ 2.79Å
96H64.4Low88.3Confident80 Ų8047.6 Ų47.637%0.3724%0.242SC..EExtended strand (participates in β ladder)trans-111.210.2-175.4-68.816.4000113.4D74 T94 K129 P130D74-H96 VanDerWaalsContact CG-CE1 3.44Å; D74-H96 IonicContact OD1-CE1 3.26Å; D74-H96 PolarHBondContact OD1-CE1 2.83Å; D74-H96 IonicContact OD1-ND1 3.92Å; D74-H96 PolarHBondContact OD1-ND1 2.79Å; D74-H96 IonicContact OD2-CE1 2.67Å; D74-H96 PolarHBondContact OD2-CE1 3.03Å; D74-H96 IonicContact OD2-ND1 3.77Å; D74-H96 PolarHBondContact OD2-ND1 2.85Å; T94-H96 HydrophobicContact CG2-CB 3.74Å; T94-H96 VanDerWaalsContact CG2-CD2 3.41Å; T94-H96 WeakPolarHBondContact CG2-CD2 3.38Å; T94-H96 PolarHBondContact O-N 2.75Å; H96-K129 HydrophobicContact CB-CD 4.47Å; H96-K129 PolarHBondContact ND1-NZ 2.87Å; H96-K129 VanDerWaalsContact ND1-NZ 3.17Å; H96-K129 CarbonylContact O-C 3.5Å; H96-K129 WeakPolarHBondContact O-CG 3.44Å; H96-P130 WeakPolarHBondContact O-CD 3.39Å
97V71.8Confident88.2Confident6 Ų647.8 Ų47.84%0.03626%0.257CS..EExtended strand (participates in β ladder)trans-122.694.7-173.9-178.70000110V10 V12 A13 K129 K185 A186V10-V97 HydrophobicContact CG1-CB 4.45Å; V10-V97 HydrophobicContact CG1-CG2 3.4Å; V12-V97 CarbonylContact C-O 3.28Å; V12-V97 VanDerWaalsContact CA-O 3.25Å; V12-V97 WeakPolarHBondContact CA-O 3.34Å; V12-V97 HydrophobicContact CB-CG1 4.45Å; V12-V97 HydrophobicContact CG1-CG1 4.5Å; V12-V97 HydrophobicContact CG2-CB 4.47Å; V12-V97 HydrophobicContact CG2-CG1 3.87Å; A13-V97 PolarHBondContact N-O 3.17Å; V97-K129 CarbonylContact C-O 3.53Å; V97-K129 VanDerWaalsContact CA-O 3.24Å; V97-K129 WeakPolarHBondContact CA-O 3.36Å; V97-K185 HydrophobicContact CG1-CB 3.99Å; V97-K185 HydrophobicContact CG2-CB 4.01Å; V97-A186 HydrophobicContact CG1-CB 3.41Å; V97-A186 VanDerWaalsContact CG1-CB 3.41Å
98V84.4Confident88.1Confident13 Ų1342 Ų428%0.07925%0.247CC..BIsolated β-bridgetrans-111.6126.4175.1-176.30000108.1A13 L71 N127 K129 N184A13-V98 HydrophobicContact CB-CG2 3.96Å; L71-V98 HydrophobicContact CD2-CG2 4.02Å; V98-N127 VanDerWaalsContact CG1-O 3.27Å; V98-N127 WeakPolarHBondContact CG1-O 3.01Å; V98-K129 HydrophobicContact CB-CB 3.87Å; V98-K129 HydrophobicContact CG2-CB 3.79Å; V98-K129 PolarHBondContact N-O 2.68Å; V98-K129 PolarHBondContact O-N 2.77Å; V98-N184 PolarHBondContact O-ND2 3Å
99P87.9Confident88Confident46 Ų4646.7 Ų46.730%0.29928%0.277SS..PPolyproline II helixtrans-63142.2176.128.6-35.4000110.7A186 V187P99-A186 VanDerWaalsContact CA-CB 3.47Å; P99-A186 HydrophobicContact CB-CB 3.86Å; P99-V187 HydrophobicContact CB-CG2 3.6Å
100P91.3Very high88.1Confident1 Ų145.6 Ų45.61%0.00628%0.281CS..PPolyproline II helixtrans-62.5154.6170.627-33000110.8A125 D126 A128 A132 K191P100-A125 HydrophobicContact CB-CB 4.47Å; P100-D126 WeakPolarHBondContact CA-O 3.43Å; P100-A128 HydrophobicContact CB-CB 4.11Å; P100-A132 HydrophobicContact CB-CB 4.06Å; P100-A132 HydrophobicContact CG-CB 4.19Å; P100-K191 WeakPolarHBondContact O-CE 3.48Å; P100-K191 PolarHBondContact O-NZ 2.79Å
101D92.3Very high88.2Confident73 Ų7343.3 Ų43.339%0.3927%0.266SS..PPolyproline II helixtrans-63.1166.9163.4-67.3-15.5000109.9D126 N127D101-D126 PolarHBondContact N-O 3.17Å; D101-N127 HydrophobicContact CB-CB 4.39Å; D101-N127 VanDerWaalsContact CG-CB 3.4Å; D101-N127 VanDerWaalsContact CG-ND2 3.28Å; D101-N127 WeakPolarHBondContact OD1-CB 3.32Å; D101-N127 PolarHBondContact OD1-ND2 2.82Å; D101-N127 WeakPolarHBondContact OD2-CB 3.31Å; D101-N127 PolarHBondContact OD2-ND2 2.97Å; D101-N127 VanDerWaalsContact OD2-ND2 3.08Å
102D94Very high88.1Confident114 Ų11446.3 Ų46.361%0.6129%0.287SS*.PPolyproline II helixtrans-64.8130.3-179-59.8-38.8000109.9K191D102-K191 VanDerWaalsContact OD1-CD 3.25Å; D102-K191 WeakPolarHBondContact OD1-CD 3.38Å; D102-K191 WeakPolarHBondContact OD1-CE 3.34Å; D102-K191 IonicContact OD1-NZ 2.71Å; D102-K191 PolarHBondContact OD1-NZ 2.82Å
103P95.4Very high88.2Confident6 Ų641.7 Ų41.74%0.03927%0.271CS..PPolyproline II helixtrans-65.1141.7-173.424.5-32.5000111.1H124 A182 K191 T193P103-H124 VanDerWaalsContact CA-O 3.3Å; P103-H124 WeakPolarHBondContact CA-O 3.45Å; P103-A182 HydrophobicContact CB-CB 4.05Å; P103-A182 HydrophobicContact CG-CB 4.23Å; P103-K191 HydrophobicContact CG-CB 4.29Å; P103-T193 HydrophobicContact CB-CG2 3.87Å; P103-T193 HydrophobicContact CG-CG2 3.9Å; P103-T193 WeakPolarHBondContact O-CB 3.38Å; P103-T193 WeakPolarHBondContact O-CG2 3.47Å; P103-T193 PolarHBondContact O-OG1 3.11Å
104V96Very high88.4Confident90 Ų9048.8 Ų48.855%0.54530%0.298SS..EExtended strand (participates in β ladder)trans-122.7122.1-178.9-176.80000109.9C123 H124V104-C123 CarbonylContact O-C 3.55Å; V104-C123 WeakPolarHBondContact O-CA 3.48Å; V104-H124 PolarHBondContact N-O 2.85Å; V104-H124 PolarHBondContact O-N 3.11Å
105I96.1Very high88.7Confident10 Ų1050.8 Ų50.85%0.05132%0.317CS..EExtended strand (participates in β ladder)trans-90.1126.7171.1-63.8164.9000109.3G107 G108 L121 T122 C123 W136 C180 T193 V195I105-G107 PolarHBondContact O-N 2.85Å; I105-G108 PolarHBondContact O-N 2.96Å; I105-G108 VanDerWaalsContact O-N 3.11Å; I105-L121 HydrophobicContact CG2-CD2 4.34Å; I105-T122 CarbonylContact C-O 3.53Å; I105-T122 VanDerWaalsContact CA-O 3.3Å; I105-T122 WeakPolarHBondContact CA-O 3.33Å; I105-C123 HydrophobicContact CG1-CB 4.2Å; I105-W136 HydrophobicContact CD1-CH2 4.35Å; I105-W136 HydrophobicContact CD1-CZ3 3.86Å; I105-W136 HydrophobicContact CG1-CH2 4.02Å; I105-W136 HydrophobicContact CG1-CZ3 4.05Å; I105-W136 HydrophobicContact CG2-CH2 4.39Å; I105-C180 HydrophobicContact CD1-CB 3.78Å; I105-C180 HydrophobicContact CG1-CB 3.8Å; I105-T193 HydrophobicContact CD1-CG2 3.79Å; I105-T193 HydrophobicContact CG1-CG2 3.72Å; I105-V195 HydrophobicContact CD1-CB 4.11Å; I105-V195 HydrophobicContact CD1-CG1 3.96Å; I105-V195 HydrophobicContact CG2-CB 4.09Å; I105-V195 HydrophobicContact CG2-CG1 4.05Å
106G91.4Very high89.3Confident35 Ų3553.5 Ų53.536%0.36135%0.345SS..THydrogen-bonded Turntrans-60.1127.2174.400000111.4G108 T122G106-G108 VanDerWaalsContact C-N 3.31Å; G106-T122 PolarHBondContact N-O 2.77Å
107G86.1Confident90.5Very high53 Ų5353.3 Ų53.355%0.54635%0.347SS..THydrogen-bonded Turntrans80.42.3-176.600000115.3I105 V110 V111I105-G107 PolarHBondContact O-N 2.85Å; G107-V110 CarbonylContact O-C 3.55Å; G107-V110 VanDerWaalsContact O-O 3.06Å; G107-V111 VanDerWaalsContact O-CG2 3.27Å; G107-V111 WeakPolarHBondContact O-CG2 3.36Å
108G89.7Confident91.4Very high38 Ų3856.6 Ų56.639%0.39237%0.368SS..  trans-64.3158.4171.300000113.2I105 G106I105-G108 PolarHBondContact O-N 2.96Å; I105-G108 VanDerWaalsContact O-N 3.11Å; G106-G108 VanDerWaalsContact C-N 3.31Å
109P90.7Very high91.8Very high104 Ų10456.5 Ų56.568%0.67537%0.367SS*.SBendcis-85.1-12.57.533.4-36.3000115V195 T196P109-V195 WeakPolarHBondContact O-CA 3.45Å; P109-T196 PolarHBondContact O-N 2.99Å
110V94.5Very high92.1Very high76 Ų7659.1 Ų59.146%0.46138%0.378SS..EExtended strand (participates in β ladder)trans-131.6124.1-179.6-177.90000109.7G107 T196 D198G107-V110 CarbonylContact O-C 3.55Å; G107-V110 VanDerWaalsContact O-O 3.06Å; V110-T196 WeakPolarHBondContact CA-O 3.36Å; V110-D198 HydrophobicContact CG1-CB 3.84Å
111V94.2Very high92.3Very high23 Ų2359.1 Ų59.114%0.13938%0.378CS..EExtended strand (participates in β ladder)trans-106.9113.7175.8173.90000109.8G107 L119 L121 V195 T196 D198G107-V111 VanDerWaalsContact O-CG2 3.27Å; G107-V111 WeakPolarHBondContact O-CG2 3.36Å; V111-L119 HydrophobicContact CG1-CD1 3.72Å; V111-L121 HydrophobicContact CG2-CD2 4.36Å; V111-V195 HydrophobicContact CB-CG2 4.08Å; V111-V195 HydrophobicContact CG2-CG2 3.57Å; V111-T196 PolarHBondContact N-O 3.09Å; V111-D198 PolarHBondContact O-N 2.92Å
112S93.1Very high92.5Very high64 Ų6458 Ų5845%0.44837%0.374SS..EExtended strand (participates in β ladder)trans-90.8134175.1-58.20000112.1D198 Q200S112-D198 CarbonylContact C-O 3.59Å; S112-D198 VanDerWaalsContact CA-O 3.27Å; S112-D198 WeakPolarHBondContact CA-O 3.25Å; S112-D198 VanDerWaalsContact CB-OD2 3.29Å; S112-D198 WeakPolarHBondContact CB-OD2 3.37Å; S112-D198 PolarHBondContact OG-OD2 2.83Å; S112-Q200 PolarHBondContact OG-NE2 2.98Å
113L93.1Very high92.6Very high21 Ų2152.5 Ų52.511%0.1135%0.345CS..EExtended strand (participates in β ladder)trans-141.8163.7174.567.4156000110.9D117 L119 I172 I197 D198 I199 Q200L113-D117 HydrophobicContact CD1-CB 4.31Å; L113-D117 VanDerWaalsContact CD1-O 3.31Å; L113-D117 WeakPolarHBondContact CD1-O 2.98Å; L113-L119 HydrophobicContact CD1-CB 4.21Å; L113-L119 HydrophobicContact CD2-CD2 4.41Å; L113-I172 HydrophobicContact CD1-CD1 4.43Å; L113-I197 HydrophobicContact CD2-CG2 3.39Å; L113-D198 PolarHBondContact N-O 2.84Å; L113-I199 HydrophobicContact CD2-CG1 4.48Å; L113-I199 WeakPolarHBondContact O-CA 3.5Å; L113-Q200 PolarHBondContact O-N 3.32Å
114R91.8Very high92.7Very high149 Ų14955.7 Ų55.756%0.56236%0.359SS*.EExtended strand (participates in β ladder)trans-84.3150.9175.1-60.1175.5172.5177.3-3.7111.1G116 D117 Q200R114-G116 PolarHBondContact O-N 2.97Å; R114-G116 VanDerWaalsContact O-N 3.16Å; R114-D117 WeakPolarHBondContact CB-OD2 3.4Å; R114-D117 PolarHBondContact N-OD2 2.78Å; R114-D117 WeakPolarHBondContact O-CB 3.5Å; R114-D117 PolarHBondContact O-N 3.15Å; R114-Q200 CarbonylContact C-O 3.19Å; R114-Q200 WeakPolarHBondContact CA-O 3.3Å
115A89.6Confident92.6Very high64 Ų6451.4 Ų51.453%0.52933%0.333SS..THydrogen-bonded Turntrans-57.3118.5174.500000111.1I199 Q200 H201A115-I199 VanDerWaalsContact CA-CG2 3.43Å; A115-I199 HydrophobicContact CB-CG2 3.78Å; A115-Q200 PolarHBondContact N-O 3.27Å; A115-H201 HydrophobicContact CB-CB 4.15Å
116G87.3Confident92.5Very high57 Ų5753.9 Ų53.959%0.58835%0.346SS*.THydrogen-bonded Turntrans103.3-13.5-176.800000115R114 P169R114-G116 PolarHBondContact O-N 2.97Å; R114-G116 VanDerWaalsContact O-N 3.16Å; G116-P169 WeakPolarHBondContact O-CG 3.4Å
117D89.8Confident92.4Very high77 Ų7753.9 Ų53.941%0.41234%0.338SS..  trans-77140.6177.3-69.2-18.8000111.4L113 R114L113-D117 HydrophobicContact CD1-CB 4.31Å; L113-D117 VanDerWaalsContact CD1-O 3.31Å; L113-D117 WeakPolarHBondContact CD1-O 2.98Å; R114-D117 WeakPolarHBondContact CB-OD2 3.4Å; R114-D117 PolarHBondContact N-OD2 2.78Å; R114-D117 WeakPolarHBondContact O-CB 3.5Å; R114-D117 PolarHBondContact O-N 3.15Å
118P91.6Very high92.5Very high74 Ų7451.4 Ų51.448%0.48131%0.312SS..  trans-76.4149172.632-34.3000111.2Y166 P169P118-Y166 HydrophobicContact CB-CE2 3.98Å; P118-P169 HydrophobicContact CB-CG 4.45Å
119L93Very high92.4Very high12 Ų1250.7 Ų50.76%0.06330%0.298CS..EExtended strand (participates in β ladder)trans-116.3129.6-176.5178.959.3000111.8V111 L113 L121 L167 I172 I197V111-L119 HydrophobicContact CG1-CD1 3.72Å; L113-L119 HydrophobicContact CD1-CB 4.21Å; L113-L119 HydrophobicContact CD2-CD2 4.41Å; L119-L121 HydrophobicContact CD1-CD2 4.05Å; L119-L121 HydrophobicContact CD2-CD1 4.41Å; L119-L121 HydrophobicContact CD2-CD2 4.07Å; L119-L121 HydrophobicContact CD2-CG 4.14Å; L119-L121 HydrophobicContact CG-CD2 4.11Å; L119-L121 HydrophobicContact CG-CG 4.08Å; L119-L167 HydrophobicContact CB-CB 4.33Å; L119-L167 HydrophobicContact CD2-CD1 4.26Å; L119-L167 PolarHBondContact N-O 3.16Å; L119-L167 VanDerWaalsContact N-O 3.1Å; L119-L167 PolarHBondContact O-N 3.46Å; L119-I172 HydrophobicContact CB-CD1 3.67Å; L119-I172 HydrophobicContact CD2-CD1 4.49Å; L119-I197 HydrophobicContact CD2-CD1 3.8Å; L119-I197 HydrophobicContact CD2-CG1 4.07Å; L119-I197 HydrophobicContact CD2-CG2 4.29Å
120N93.9Very high92.2Very high100 Ų10048.1 Ų48.154%0.53528%0.282SS..EExtended strand (participates in β ladder)trans-111.4115.5169.7-76.1-39.7000109.6L165 Y166N120-L165 WeakPolarHBondContact CA-O 3.39Å; N120-Y166 VanDerWaalsContact OD1-CD2 3.27Å; N120-Y166 WeakPolarHBondContact OD1-CD2 3.37Å
121L95.3Very high92Very high1 Ų145.7 Ų45.71%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-100.7123.1174.2-64.4176.5000109.8I105 V111 L119 W136 T164 L165 L167 I178 V195I105-L121 HydrophobicContact CG2-CD2 4.34Å; V111-L121 HydrophobicContact CG2-CD2 4.36Å; L119-L121 HydrophobicContact CD1-CD2 4.05Å; L119-L121 HydrophobicContact CD2-CD1 4.41Å; L119-L121 HydrophobicContact CD2-CD2 4.07Å; L119-L121 HydrophobicContact CD2-CG 4.14Å; L119-L121 HydrophobicContact CG-CD2 4.11Å; L119-L121 HydrophobicContact CG-CG 4.08Å; L121-W136 HydrophobicContact CB-CH2 3.52Å; L121-W136 HydrophobicContact CB-CZ2 4.17Å; L121-W136 HydrophobicContact CB-CZ3 3.92Å; L121-W136 HydrophobicContact CD1-CZ3 4.12Å; L121-W136 WeakPolarHBondContact O-CZ2 3.17Å; L121-T164 CarbonylContact O-C 3.59Å; L121-T164 WeakPolarHBondContact O-CA 3.32Å; L121-L165 PolarHBondContact N-O 2.8Å; L121-L165 PolarHBondContact O-N 2.84Å; L121-L167 HydrophobicContact CD1-CD1 4.07Å; L121-I178 HydrophobicContact CD1-CB 4.05Å; L121-I178 HydrophobicContact CD1-CG1 4.17Å; L121-I178 HydrophobicContact CD1-CG2 3.82Å; L121-V195 HydrophobicContact CD1-CG1 3.9Å; L121-V195 HydrophobicContact CD2-CG1 4.12Å
122T96.6Very high92Very high49 Ų4944.8 Ų44.830%0.30127%0.265SS..EExtended strand (participates in β ladder)trans-102.4129.3171.929.90000110.5I105 G106 S163 T164I105-T122 CarbonylContact C-O 3.53Å; I105-T122 VanDerWaalsContact CA-O 3.3Å; I105-T122 WeakPolarHBondContact CA-O 3.33Å; G106-T122 PolarHBondContact N-O 2.77Å; T122-S163 CarbonylContact C-O 3.56Å; T122-S163 WeakPolarHBondContact CA-O 3.47Å; T122-T164 HydrophobicContact CG2-CG2 4.06Å; T122-T164 WeakPolarHBondContact CG2-OG1 3.5Å
123C96.4Very high92Very high0 Ų044.9 Ų44.90%027%0.265CS..EExtended strand (participates in β ladder)trans-118132.4172-174.70000110.7V104 I105 W136 V162 S163 C180V104-C123 CarbonylContact O-C 3.55Å; V104-C123 WeakPolarHBondContact O-CA 3.48Å; I105-C123 HydrophobicContact CG1-CB 4.2Å; C123-W136 HydrophobicContact CB-CH2 3.59Å; C123-W136 HydrophobicContact CB-CZ2 3.42Å; C123-W136 VanDerWaalsContact CB-CZ2 3.42Å; C123-W136 HydrophobicContact CB-CZ3 4.49Å; C123-V162 WeakPolarHBondContact O-CA 3.48Å; C123-S163 PolarHBondContact N-O 2.82Å; C123-S163 PolarHBondContact O-N 2.89Å; C123-C180 HydrophobicContact CB-CB 3.7Å; C123-C180 WeakPolarHBondContact CB-SG 2.97Å; C123-C180 WeakPolarHBondContact SG-CB 3.47Å; C123-C180 CovalentContact SG-SG 2.02Å; C123-C180 PolarHBondContact SG-SG 2.85Å
124H95.9Very high92.1Very high73 Ų7344 Ų4434%0.33826%0.261SS..EExtended strand (participates in β ladder)trans-108.8130.3178.8-67.6-101.4000110.1P103 V104P103-H124 VanDerWaalsContact CA-O 3.3Å; P103-H124 WeakPolarHBondContact CA-O 3.45Å; V104-H124 PolarHBondContact N-O 2.85Å; V104-H124 PolarHBondContact O-N 3.11Å
125A95.5Very high92.3Very high0 Ų039.6 Ų39.60%025%0.248CC..EExtended strand (participates in β ladder)trans-130.796.7171.100000108.8P100 A132 I134 T161 A182P100-A125 HydrophobicContact CB-CB 4.47Å; A125-A132 HydrophobicContact CB-CB 4.2Å; A125-I134 HydrophobicContact CB-CD1 3.83Å; A125-I134 HydrophobicContact CB-CG1 3.98Å; A125-T161 PolarHBondContact N-O 2.83Å; A125-T161 PolarHBondContact O-N 2.77Å; A125-A182 HydrophobicContact CB-CB 3.6Å
126D92.8Very high92.7Very high61 Ų6136.6 Ų36.633%0.32622%0.222SC..EExtended strand (participates in β ladder)trans-92.1174-172.4-67.5-39.7000112.7P100 D101 A128 S160P100-D126 WeakPolarHBondContact CA-O 3.43Å; D101-D126 PolarHBondContact N-O 3.17Å; D126-A128 PolarHBondContact O-N 2.98Å; D126-S160 WeakPolarHBondContact OD1-CB 3.2Å; D126-S160 PolarHBondContact OD1-OG 2.77Å
127N89.4Confident93Very high36 Ų3635 Ų3519%0.19320%0.2CC..EExtended strand (participates in β ladder)trans67.110.8164-158.219.9000115.9V98 D101 R158V98-N127 VanDerWaalsContact CG1-O 3.27Å; V98-N127 WeakPolarHBondContact CG1-O 3.01Å; D101-N127 HydrophobicContact CB-CB 4.39Å; D101-N127 VanDerWaalsContact CG-CB 3.4Å; D101-N127 VanDerWaalsContact CG-ND2 3.28Å; D101-N127 WeakPolarHBondContact OD1-CB 3.32Å; D101-N127 PolarHBondContact OD1-ND2 2.82Å; D101-N127 WeakPolarHBondContact OD2-CB 3.31Å; D101-N127 PolarHBondContact OD2-ND2 2.97Å; D101-N127 VanDerWaalsContact OD2-ND2 3.08Å; N127-R158 VanDerWaalsContact O-CD 3.26Å; N127-R158 WeakPolarHBondContact O-CD 3.43Å; N127-R158 WeakPolarHBondContact OD1-CD 3.33Å; N127-R158 PolarHBondContact OD1-NH1 2.79Å
128A88.8Confident93.3Very high0 Ų034.1 Ų34.10%019%0.191CC..EExtended strand (participates in β ladder)trans-83.1154.5-174.400000113.3P100 D126 P130 A132 R158 E159P100-A128 HydrophobicContact CB-CB 4.11Å; D126-A128 PolarHBondContact O-N 2.98Å; A128-P130 CarbonylContact C-O 3.57Å; A128-P130 WeakPolarHBondContact CB-O 3.34Å; A128-A132 HydrophobicContact CB-CB 4.13Å; A128-R158 CarbonylContact O-C 3.52Å; A128-R158 VanDerWaalsContact O-CA 3.31Å; A128-R158 WeakPolarHBondContact O-CA 3.45Å; A128-E159 PolarHBondContact N-O 2.85Å; A128-E159 VanDerWaalsContact N-O 3.13Å; A128-E159 PolarHBondContact O-N 2.87Å
129K87.1Confident93.1Very high24 Ų2436.7 Ų36.710%0.10420%0.201CC..BIsolated β-bridgetrans-144.6126164.1-168.5-176.9177.8-167.40107.9L71 D74 V95 H96 V97 V98 R157 R158 N184L71-K129 HydrophobicContact CD2-CD 3.79Å; D74-K129 IonicContact OD2-NZ 2.6Å; D74-K129 PolarHBondContact OD2-NZ 3.24Å; V95-K129 PolarHBondContact O-NZ 2.79Å; H96-K129 HydrophobicContact CB-CD 4.47Å; H96-K129 PolarHBondContact ND1-NZ 2.87Å; H96-K129 VanDerWaalsContact ND1-NZ 3.17Å; H96-K129 CarbonylContact O-C 3.5Å; H96-K129 WeakPolarHBondContact O-CG 3.44Å; V97-K129 CarbonylContact C-O 3.53Å; V97-K129 VanDerWaalsContact CA-O 3.24Å; V97-K129 WeakPolarHBondContact CA-O 3.36Å; V98-K129 HydrophobicContact CB-CB 3.87Å; V98-K129 HydrophobicContact CG2-CB 3.79Å; V98-K129 PolarHBondContact N-O 2.68Å; V98-K129 PolarHBondContact O-N 2.77Å; K129-R157 WeakPolarHBondContact CD-O 3.46Å; K129-R157 VanDerWaalsContact CG-O 3.22Å; K129-R157 WeakPolarHBondContact CG-O 3.48Å; K129-R158 HydrophobicContact CB-CG 4.32Å; K129-N184 PolarHBondContact O-ND2 2.66Å
130P86.6Confident93Very high50 Ų5039.4 Ų39.433%0.32523%0.232SC..SBendcis-54.7174.8-24.931.1-37.9000111.6H96 A128 A132 N184H96-P130 WeakPolarHBondContact O-CD 3.39Å; A128-P130 CarbonylContact C-O 3.57Å; A128-P130 WeakPolarHBondContact CB-O 3.34Å; P130-A132 PolarHBondContact O-N 2.78Å; P130-N184 VanDerWaalsContact CD-OD1 3.3Å; P130-N184 WeakPolarHBondContact CD-OD1 3.29Å; P130-N184 WeakPolarHBondContact CG-OD1 3.24Å; P130-N184 PolarHBondContact O-ND2 3.01Å; P130-N184 VanDerWaalsContact O-ND2 3.17Å
131A89.9Confident93Very high25 Ų2541.2 Ų41.221%0.20724%0.237CC..  trans-43.3137.1171.500000112.6K150 E159A131-K150 HydrophobicContact CB-CB 4.41Å; A131-K150 HydrophobicContact CB-CD 4.1Å; A131-E159 HydrophobicContact CB-CB 3.81Å; A131-E159 HydrophobicContact CB-CG 4.44Å; A131-E159 WeakPolarHBondContact CB-OE2 3.46Å; A131-E159 PolarHBondContact N-OE2 2.92Å
132A93.9Very high92.9Very high4 Ų444.7 Ų44.73%0.03326%0.258CS..PPolyproline II helixtrans-72.9138.217800000110.8P100 A125 A128 P130 I134 T161 S183P100-A132 HydrophobicContact CB-CB 4.06Å; P100-A132 HydrophobicContact CG-CB 4.19Å; A125-A132 HydrophobicContact CB-CB 4.2Å; A128-A132 HydrophobicContact CB-CB 4.13Å; P130-A132 PolarHBondContact O-N 2.78Å; A132-I134 PolarHBondContact O-N 2.99Å; A132-T161 PolarHBondContact N-OG1 2.03Å; A132-T161 WeakPolarHBondContact O-CG2 3.48Å; A132-T161 PolarHBondContact O-OG1 3.01Å; A132-S183 CarbonylContact C-O 3.48Å; A132-S183 VanDerWaalsContact CA-O 3.23Å; A132-S183 WeakPolarHBondContact CA-O 3.24Å; A132-S183 WeakPolarHBondContact CB-O 3.44Å
133S93.6Very high92.8Very high65 Ų6543.5 Ų43.546%0.45525%0.25SC..EExtended strand (participates in β ladder)trans-77.3118.7163.148.40000108.7A182 S183S133-A182 WeakPolarHBondContact O-CA 3.5Å; S133-S183 PolarHBondContact N-O 3.2Å; S133-S183 PolarHBondContact O-N 2.03Å; S133-S183 PolarHBondContact O-OG 2.86Å; S133-S183 PolarHBondContact OG-O 2.99Å; S133-S183 PolarHBondContact OG-OG 3.29Å
134I96.1Very high92.5Very high4 Ų450.5 Ų50.52%0.02129%0.287CS..EExtended strand (participates in β ladder)trans-90140.1167.7-65.5170000108.1A125 A132 Y148 T161 C180 K181 A182A125-I134 HydrophobicContact CB-CD1 3.83Å; A125-I134 HydrophobicContact CB-CG1 3.98Å; A132-I134 PolarHBondContact O-N 2.99Å; I134-Y148 HydrophobicContact CB-CD1 4.39Å; I134-Y148 HydrophobicContact CB-CE1 3.92Å; I134-Y148 HydrophobicContact CG2-CE1 4.29Å; I134-Y148 WeakPolarHBondContact O-CE1 3.08Å; I134-Y148 PolarHBondContact O-OH 3.15Å; I134-T161 HydrophobicContact CD1-CG2 4.16Å; I134-C180 WeakPolarHBondContact CG2-SG 2.98Å; I134-K181 CarbonylContact C-O 3.6Å; I134-K181 VanDerWaalsContact CA-O 3.3Å; I134-K181 WeakPolarHBondContact CA-O 3.28Å; I134-A182 HydrophobicContact CG1-CB 4.23Å
135I95.8Very high92Very high56 Ų5650.8 Ų50.829%0.28731%0.309SS..EExtended strand (participates in β ladder)trans-130.1151162.464.4175.1000109.8I137 V142 K181I135-I137 HydrophobicContact CD1-CD1 4.15Å; I135-I137 HydrophobicContact CD1-CG1 4.27Å; I135-I137 HydrophobicContact CG1-CD1 4.36Å; I135-I137 HydrophobicContact CG1-CG1 4.28Å; I135-V142 HydrophobicContact CB-CG1 4.21Å; I135-V142 HydrophobicContact CD1-CG2 4.11Å; I135-K181 HydrophobicContact CD1-CD 4.23Å; I135-K181 HydrophobicContact CG1-CB 3.82Å; I135-K181 HydrophobicContact CG1-CD 4.35Å; I135-K181 HydrophobicContact CG1-CG 4.33Å; I135-K181 PolarHBondContact N-O 2.86Å; I135-K181 PolarHBondContact O-N 2.79Å
136W96.8Very high91.9Very high0 Ų051.4 Ų51.40%032%0.315CS..EExtended strand (participates in β ladder)trans-103.5135175.2-68.693000109.7I105 L121 C123 V142 L143 S163 L165 I178 I179 C180I105-W136 HydrophobicContact CD1-CH2 4.35Å; I105-W136 HydrophobicContact CD1-CZ3 3.86Å; I105-W136 HydrophobicContact CG1-CH2 4.02Å; I105-W136 HydrophobicContact CG1-CZ3 4.05Å; I105-W136 HydrophobicContact CG2-CH2 4.39Å; L121-W136 HydrophobicContact CB-CH2 3.52Å; L121-W136 HydrophobicContact CB-CZ2 4.17Å; L121-W136 HydrophobicContact CB-CZ3 3.92Å; L121-W136 HydrophobicContact CD1-CZ3 4.12Å; L121-W136 WeakPolarHBondContact O-CZ2 3.17Å; C123-W136 HydrophobicContact CB-CH2 3.59Å; C123-W136 HydrophobicContact CB-CZ2 3.42Å; C123-W136 VanDerWaalsContact CB-CZ2 3.42Å; C123-W136 HydrophobicContact CB-CZ3 4.49Å; W136-V142 CarbonylContact O-C 3.52Å; W136-V142 WeakPolarHBondContact O-CA 3.27Å; W136-L143 HydrophobicContact CB-CB 4.08Å; W136-L143 PolarHBondContact O-N 2.88Å; W136-S163 PolarHBondContact NE1-OG 3.18Å; W136-L165 HydrophobicContact CB-CD2 3.94Å; W136-L165 HydrophobicContact CD2-CB 3.92Å; W136-L165 HydrophobicContact CD2-CD2 3.85Å; W136-L165 HydrophobicContact CE3-CD2 4.06Å; W136-L165 HydrophobicContact CG-CB 4.05Å; W136-L165 HydrophobicContact CG-CD2 3.83Å; W136-L165 HydrophobicContact CG-CG 4.39Å; W136-L165 HydrophobicContact CZ2-CB 4.14Å; W136-I178 HydrophobicContact CE3-CG2 3.59Å; W136-I178 HydrophobicContact CZ3-CG2 3.94Å; W136-I179 CarbonylContact C-O 3.41Å; W136-I179 WeakPolarHBondContact CA-O 3.31Å; W136-C180 HydrophobicContact CE3-CB 4.08Å; W136-C180 HydrophobicContact CH2-CB 4.27Å; W136-C180 HydrophobicContact CZ3-CB 3.93Å
137I95.3Very high91.9Very high23 Ų2355.3 Ų55.312%0.11833%0.333CS..EExtended strand (participates in β ladder)trans-126.3133.8-175.6-54170.8000109.4I135 E141 I179 K181I135-I137 HydrophobicContact CD1-CD1 4.15Å; I135-I137 HydrophobicContact CD1-CG1 4.27Å; I135-I137 HydrophobicContact CG1-CD1 4.36Å; I135-I137 HydrophobicContact CG1-CG1 4.28Å; I137-E141 CarbonylContact C-O 3.6Å; I137-E141 VanDerWaalsContact CA-O 3.28Å; I137-E141 WeakPolarHBondContact CA-O 3.45Å; I137-I179 HydrophobicContact CB-CB 4.18Å; I137-I179 PolarHBondContact N-O 2.75Å; I137-I179 PolarHBondContact O-N 2.92Å; I137-K181 HydrophobicContact CD1-CB 4.05Å; I137-K181 HydrophobicContact CD1-CD 3.9Å
138R94.2Very high92Very high60 Ų6058.8 Ų58.823%0.22634%0.344CS..EExtended strand (participates in β ladder)trans-135.3126.2174.1180-179.665.71760.6108.8G140 E141 L143 N171 Q176 I178R138-G140 PolarHBondContact O-N 3.21Å; R138-G140 VanDerWaalsContact O-N 3.09Å; R138-E141 PolarHBondContact N-O 2.82Å; R138-E141 PolarHBondContact O-N 3.06Å; R138-L143 HydrophobicContact CB-CD1 3.87Å; R138-L143 HydrophobicContact CB-CD2 4.06Å; R138-L143 HydrophobicContact CB-CG 4.02Å; R138-N171 PolarHBondContact NH1-O 2.76Å; R138-Q176 HydrophobicContact CG-CG 4.27Å; R138-I178 HydrophobicContact CB-CD1 3.78Å; R138-I178 HydrophobicContact CG-CD1 3.68Å
139N89.3Confident92.2Very high127 Ų12762 Ų6268%0.67937%0.367SS*.THydrogen-bonded Turntrans53.729179.3-54.7-19.3000113.8Q176N139-Q176 PolarHBondContact ND2-OE1 3.28Å; N139-Q176 VanDerWaalsContact ND2-OE1 3.16Å; N139-Q176 PolarHBondContact OD1-NE2 2.82Å; N139-Q176 PolarHBondContact OD1-OE1 3.26Å
140G89.8Confident92.4Very high69 Ų6967 Ų6771%0.71139%0.388SS*.THydrogen-bonded Turntrans88.7-12.9-176.200000115.3R138R138-G140 PolarHBondContact O-N 3.21Å; R138-G140 VanDerWaalsContact O-N 3.09Å
141E93.1Very high92.7Very high139 Ų13968.2 Ų68.265%0.6540%0.395SS*.EExtended strand (participates in β ladder)trans-93.7146.4179.5-61.5-173.1156.100112.2I137 R138I137-E141 CarbonylContact C-O 3.6Å; I137-E141 VanDerWaalsContact CA-O 3.28Å; I137-E141 WeakPolarHBondContact CA-O 3.45Å; R138-E141 PolarHBondContact N-O 2.82Å; R138-E141 PolarHBondContact O-N 3.06Å
142V94.4Very high92.7Very high74 Ų7472.2 Ų72.245%0.44841%0.412SS..EExtended strand (participates in β ladder)trans-82.8127.3177.4-178.40000110.4I135 W136I135-V142 HydrophobicContact CB-CG1 4.21Å; I135-V142 HydrophobicContact CD1-CG2 4.11Å; W136-V142 CarbonylContact O-C 3.52Å; W136-V142 WeakPolarHBondContact O-CA 3.27Å
143L93.6Very high92.3Very high23 Ų2374.9 Ų74.912%0.1243%0.426CS..EExtended strand (participates in β ladder)trans-84.6128.7177.4-62-178.2000111.4W136 R138 L165 L167 I178W136-L143 HydrophobicContact CB-CB 4.08Å; W136-L143 PolarHBondContact O-N 2.88Å; R138-L143 HydrophobicContact CB-CD1 3.87Å; R138-L143 HydrophobicContact CB-CD2 4.06Å; R138-L143 HydrophobicContact CB-CG 4.02Å; L143-L165 HydrophobicContact CB-CD1 4.25Å; L143-L165 HydrophobicContact CD1-CD2 3.66Å; L143-L167 HydrophobicContact CD1-CD2 4.28Å; L143-I178 HydrophobicContact CD1-CD1 4.4Å
144N89.9Confident91.8Very high148 Ų14884.4 Ų84.479%0.79145%0.452SS*.PPolyproline II helixtrans-93.3163.1178-65.8-51.2000111.7
145G86.1Confident91Very high78 Ų7887 Ų8780%0.80447%0.465SS*.  trans87.14.9175.500000115.7
146A92.9Very high90.2Very high13 Ų1386.5 Ų86.511%0.10748%0.475CS..  trans-67.913917000000111.5Y148 T164 L165A146-Y148 HydrophobicContact CB-CE2 4.13Å; A146-Y148 WeakPolarHBondContact O-CD2 3.41Å; A146-Y148 WeakPolarHBondContact O-CE2 3.33Å; A146-T164 CarbonylContact C-O 3.59Å; A146-T164 VanDerWaalsContact CA-O 3.3Å; A146-T164 WeakPolarHBondContact CA-O 3.43Å; A146-L165 HydrophobicContact CB-CB 4.34Å; A146-L165 HydrophobicContact CB-CD1 4.2Å
147M92.8Very high89.4Confident144 Ų14492 Ų9271%0.70950%0.495SS*.EExtended strand (participates in β ladder)trans-88.3133175.5-172.6-179.7-177.700109.8S163 T164M147-S163 CarbonylContact O-C 3.56Å; M147-S163 VanDerWaalsContact O-CA 3.31Å; M147-S163 WeakPolarHBondContact O-CA 3.34Å; M147-T164 PolarHBondContact N-O 3.16Å; M147-T164 PolarHBondContact O-N 2.84Å
148Y91.8Very high89Confident108 Ų10894.4 Ų94.442%0.42450%0.503SS..EExtended strand (participates in β ladder)trans-114136.6179.4-59.4-83.9000111I134 A146 S163I134-Y148 HydrophobicContact CB-CD1 4.39Å; I134-Y148 HydrophobicContact CB-CE1 3.92Å; I134-Y148 HydrophobicContact CG2-CE1 4.29Å; I134-Y148 WeakPolarHBondContact O-CE1 3.08Å; I134-Y148 PolarHBondContact O-OH 3.15Å; A146-Y148 HydrophobicContact CB-CE2 4.13Å; A146-Y148 WeakPolarHBondContact O-CD2 3.41Å; A146-Y148 WeakPolarHBondContact O-CE2 3.33Å; Y148-S163 WeakPolarHBondContact CD1-OG 2.96Å; Y148-S163 WeakPolarHBondContact CE1-OG 3.28Å
149S93.2Very high88.8Confident69 Ų6993.2 Ų93.248%0.48350%0.5SS..EExtended strand (participates in β ladder)trans-130.8143.1171.4-174.60000109.5T161 V162S149-T161 WeakPolarHBondContact O-CA 3.45Å; S149-V162 PolarHBondContact N-O 2.99Å; S149-V162 PolarHBondContact O-N 2.9Å
150K91.9Very high89Confident128 Ų12887.8 Ų87.856%0.55747%0.472SS*.EExtended strand (participates in β ladder)trans-127.2142.7174.668.9172.4-166.9152.20111.1A131 E159 S160A131-K150 HydrophobicContact CB-CB 4.41Å; A131-K150 HydrophobicContact CB-CD 4.1Å; K150-E159 WeakPolarHBondContact CD-OE1 3.44Å; K150-E159 WeakPolarHBondContact CE-OE1 3.31Å; K150-E159 IonicContact NZ-OE1 3.18Å; K150-E159 PolarHBondContact NZ-OE1 2.81Å; K150-E159 IonicContact NZ-OE2 2.73Å; K150-S160 CarbonylContact C-O 3.59Å; K150-S160 VanDerWaalsContact CA-O 3.26Å; K150-S160 WeakPolarHBondContact CA-O 3.5Å
151T92.2Very high89.2Confident75 Ų7584.8 Ų84.846%0.4644%0.44SS..EExtended strand (participates in β ladder)trans-132.6137.5179.159.90000110.3E159 S160T151-E159 CarbonylContact O-C 3.6Å; T151-E159 VanDerWaalsContact O-CA 3.29Å; T151-E159 WeakPolarHBondContact O-CA 3.44Å; T151-S160 PolarHBondContact N-O 2.8Å; T151-S160 PolarHBondContact O-N 2.95Å
152L89.4Confident89.4Confident109 Ų10979.8 Ų79.857%0.57142%0.418SS*.EExtended strand (participates in β ladder)trans-78128.8175.4-167.471.9000108.8R158 E159L152-R158 WeakPolarHBondContact CD1-O 3.48Å; L152-E159 HydrophobicContact CD1-CG 3.94Å
153L86.8Confident89.5Confident61 Ų6176.2 Ų76.232%0.31940%0.397SS..  trans-69.8164.8175.9-77.895.2000111.2D155 G156 R158 S160L153-D155 PolarHBondContact O-N 3.18Å; L153-G156 PolarHBondContact O-N 2.67Å; L153-R158 HydrophobicContact CD1-CB 4.02Å; L153-R158 WeakPolarHBondContact CD1-O 3.21Å; L153-R158 PolarHBondContact N-O 3.26Å; L153-S160 VanDerWaalsContact CD1-N 3.3Å
154R83.2Confident89.6Confident265 Ų26577.5 Ų77.5100%141%0.406SS*.THydrogen-bonded Turntrans-56.9-18.3-178.7-63.3-174.4-178.3-140.21.8114.7G156R154-G156 VanDerWaalsContact C-N 3.27Å
155D79.4Confident89.9Confident57 Ų5770.6 Ų70.631%0.30537%0.369SS..THydrogen-bonded Turntrans-80.7-6.2177.176.3-7.5000113.8L153 R157 R158L153-D155 PolarHBondContact O-N 3.18Å; D155-R157 PolarHBondContact O-N 2.84Å; D155-R157 VanDerWaalsContact O-N 3.17Å; D155-R157 PolarHBondContact OD1-N 2.67Å; D155-R158 PolarHBondContact OD1-N 2.89Å; D155-R158 IonicContact OD2-CZ 3.76Å; D155-R158 IonicContact OD2-NE 3.85Å; D155-R158 PolarHBondContact OD2-NE 2.96Å; D155-R158 IonicContact OD2-NH2 3.65Å; D155-R158 PolarHBondContact OD2-NH2 2.79Å
156G78.4Confident90.2Very high47 Ų4773.4 Ų73.449%0.48536%0.356SS..SBendtrans66.510-179.900000114.4L153 R154L153-G156 PolarHBondContact O-N 2.67Å; R154-G156 VanDerWaalsContact C-N 3.27Å
157R79.7Confident90.2Very high115 Ų11573.4 Ų73.443%0.43435%0.354SS..SBendtrans-127.5-30-172.2-66.6-179.3-168.1-156.52.1113.5L71 K129 D155L71-R157 PolarHBondContact O-NH1 2.83Å; K129-R157 WeakPolarHBondContact CD-O 3.46Å; K129-R157 VanDerWaalsContact CG-O 3.22Å; K129-R157 WeakPolarHBondContact CG-O 3.48Å; D155-R157 PolarHBondContact O-N 2.84Å; D155-R157 VanDerWaalsContact O-N 3.17Å; D155-R157 PolarHBondContact OD1-N 2.67Å
158R86.4Confident90.1Very high73 Ų7368.1 Ų68.128%0.27533%0.331SS..  trans-106.4152.7177.7-76174.1-81.6-171.1-7.3111.5N127 A128 K129 L152 L153 D155N127-R158 VanDerWaalsContact O-CD 3.26Å; N127-R158 WeakPolarHBondContact O-CD 3.43Å; N127-R158 WeakPolarHBondContact OD1-CD 3.33Å; N127-R158 PolarHBondContact OD1-NH1 2.79Å; A128-R158 CarbonylContact O-C 3.52Å; A128-R158 VanDerWaalsContact O-CA 3.31Å; A128-R158 WeakPolarHBondContact O-CA 3.45Å; K129-R158 HydrophobicContact CB-CG 4.32Å; L152-R158 WeakPolarHBondContact CD1-O 3.48Å; L153-R158 HydrophobicContact CD1-CB 4.02Å; L153-R158 WeakPolarHBondContact CD1-O 3.21Å; L153-R158 PolarHBondContact N-O 3.26Å; D155-R158 PolarHBondContact OD1-N 2.89Å; D155-R158 IonicContact OD2-CZ 3.76Å; D155-R158 IonicContact OD2-NE 3.85Å; D155-R158 PolarHBondContact OD2-NE 2.96Å; D155-R158 IonicContact OD2-NH2 3.65Å; D155-R158 PolarHBondContact OD2-NH2 2.79Å
159E89.8Confident89.9Confident36 Ų3665.5 Ų65.517%0.16833%0.328CS..EExtended strand (participates in β ladder)trans-119.1137.9179.5-64.4178.9115.100110A128 A131 K150 T151 L152A128-E159 PolarHBondContact N-O 2.85Å; A128-E159 VanDerWaalsContact N-O 3.13Å; A128-E159 PolarHBondContact O-N 2.87Å; A131-E159 HydrophobicContact CB-CB 3.81Å; A131-E159 HydrophobicContact CB-CG 4.44Å; A131-E159 WeakPolarHBondContact CB-OE2 3.46Å; A131-E159 PolarHBondContact N-OE2 2.92Å; K150-E159 WeakPolarHBondContact CD-OE1 3.44Å; K150-E159 WeakPolarHBondContact CE-OE1 3.31Å; K150-E159 IonicContact NZ-OE1 3.18Å; K150-E159 PolarHBondContact NZ-OE1 2.81Å; K150-E159 IonicContact NZ-OE2 2.73Å; T151-E159 CarbonylContact O-C 3.6Å; T151-E159 VanDerWaalsContact O-CA 3.29Å; T151-E159 WeakPolarHBondContact O-CA 3.44Å; L152-E159 HydrophobicContact CD1-CG 3.94Å
160S93.7Very high89.6Confident12 Ų1266.8 Ų66.88%0.08434%0.337CS..EExtended strand (participates in β ladder)trans-96.8135.8167.9160.60000108.1D126 K150 T151 L153D126-S160 WeakPolarHBondContact OD1-CB 3.2Å; D126-S160 PolarHBondContact OD1-OG 2.77Å; K150-S160 CarbonylContact C-O 3.59Å; K150-S160 VanDerWaalsContact CA-O 3.26Å; K150-S160 WeakPolarHBondContact CA-O 3.5Å; T151-S160 PolarHBondContact N-O 2.8Å; T151-S160 PolarHBondContact O-N 2.95Å; L153-S160 VanDerWaalsContact CD1-N 3.3Å
161T95.3Very high89.3Confident7 Ų764.7 Ų64.74%0.04333%0.332CS..EExtended strand (participates in β ladder)trans-118.4131.3176.4-46.90000110.2A125 A132 I134 S149A125-T161 PolarHBondContact N-O 2.83Å; A125-T161 PolarHBondContact O-N 2.77Å; A132-T161 PolarHBondContact N-OG1 2.03Å; A132-T161 WeakPolarHBondContact O-CG2 3.48Å; A132-T161 PolarHBondContact O-OG1 3.01Å; I134-T161 HydrophobicContact CD1-CG2 4.16Å; S149-T161 WeakPolarHBondContact O-CA 3.45Å
162V96.3Very high89.1Confident33 Ų3361.7 Ų61.720%0.231%0.313CS..EExtended strand (participates in β ladder)trans-118.8131.8174.6-1730000108.3C123 S149C123-V162 WeakPolarHBondContact O-CA 3.48Å; S149-V162 PolarHBondContact N-O 2.99Å; S149-V162 PolarHBondContact O-N 2.9Å
163S96.3Very high89.1Confident0 Ų063.1 Ų63.10%032%0.316CS..EExtended strand (participates in β ladder)trans-118.9132.2172.8-173.70000110.3T122 C123 W136 M147 Y148T122-S163 CarbonylContact C-O 3.56Å; T122-S163 WeakPolarHBondContact CA-O 3.47Å; C123-S163 PolarHBondContact N-O 2.82Å; C123-S163 PolarHBondContact O-N 2.89Å; W136-S163 PolarHBondContact NE1-OG 3.18Å; M147-S163 CarbonylContact O-C 3.56Å; M147-S163 VanDerWaalsContact O-CA 3.31Å; M147-S163 WeakPolarHBondContact O-CA 3.34Å; Y148-S163 WeakPolarHBondContact CD1-OG 2.96Å; Y148-S163 WeakPolarHBondContact CE1-OG 3.28Å
164T96.3Very high89.3Confident50 Ų5064 Ų6431%0.30732%0.324SS..EExtended strand (participates in β ladder)trans-116.7120.6175.8-51.60000109.7L121 T122 A146 M147L121-T164 CarbonylContact O-C 3.59Å; L121-T164 WeakPolarHBondContact O-CA 3.32Å; T122-T164 HydrophobicContact CG2-CG2 4.06Å; T122-T164 WeakPolarHBondContact CG2-OG1 3.5Å; A146-T164 CarbonylContact C-O 3.59Å; A146-T164 VanDerWaalsContact CA-O 3.3Å; A146-T164 WeakPolarHBondContact CA-O 3.43Å; M147-T164 PolarHBondContact N-O 3.16Å; M147-T164 PolarHBondContact O-N 2.84Å
165L95.3Very high89.6Confident3 Ų353.7 Ų53.72%0.01630%0.301CS..EExtended strand (participates in β ladder)trans-105123.3175.6175.770.6000110N120 L121 W136 L143 A146 L167 I178N120-L165 WeakPolarHBondContact CA-O 3.39Å; L121-L165 PolarHBondContact N-O 2.8Å; L121-L165 PolarHBondContact O-N 2.84Å; W136-L165 HydrophobicContact CB-CD2 3.94Å; W136-L165 HydrophobicContact CD2-CB 3.92Å; W136-L165 HydrophobicContact CD2-CD2 3.85Å; W136-L165 HydrophobicContact CE3-CD2 4.06Å; W136-L165 HydrophobicContact CG-CB 4.05Å; W136-L165 HydrophobicContact CG-CD2 3.83Å; W136-L165 HydrophobicContact CG-CG 4.39Å; W136-L165 HydrophobicContact CZ2-CB 4.14Å; L143-L165 HydrophobicContact CB-CD1 4.25Å; L143-L165 HydrophobicContact CD1-CD2 3.66Å; A146-L165 HydrophobicContact CB-CB 4.34Å; A146-L165 HydrophobicContact CB-CD1 4.2Å; L165-L167 HydrophobicContact CD2-CD1 4.26Å; L165-L167 HydrophobicContact CD2-CD2 4.04Å; L165-L167 HydrophobicContact CD2-CG 4.09Å; L165-L167 HydrophobicContact CG-CD2 4.24Å; L165-L167 HydrophobicContact CG-CG 4.17Å; L165-I178 HydrophobicContact CD2-CG2 4.4Å
166Y94Very high90.2Very high137 Ų13752.2 Ų52.254%0.53729%0.292SS..EExtended strand (participates in β ladder)trans-89.9130.2169178.7-85.8000110P118 N120P118-Y166 HydrophobicContact CB-CE2 3.98Å; N120-Y166 VanDerWaalsContact OD1-CD2 3.27Å; N120-Y166 WeakPolarHBondContact OD1-CD2 3.37Å
167L92.1Very high90.9Very high12 Ų1254.5 Ų54.56%0.06329%0.29CS..EExtended strand (participates in β ladder)trans-119.8127.4173.7-66.4172.2000109.6L119 L121 L143 L165 I172 I178 I197L119-L167 HydrophobicContact CB-CB 4.33Å; L119-L167 HydrophobicContact CD2-CD1 4.26Å; L119-L167 PolarHBondContact N-O 3.16Å; L119-L167 VanDerWaalsContact N-O 3.1Å; L119-L167 PolarHBondContact O-N 3.46Å; L121-L167 HydrophobicContact CD1-CD1 4.07Å; L143-L167 HydrophobicContact CD1-CD2 4.28Å; L165-L167 HydrophobicContact CD2-CD1 4.26Å; L165-L167 HydrophobicContact CD2-CD2 4.04Å; L165-L167 HydrophobicContact CD2-CG 4.09Å; L165-L167 HydrophobicContact CG-CD2 4.24Å; L165-L167 HydrophobicContact CG-CG 4.17Å; L167-I172 HydrophobicContact CB-CD1 3.73Å; L167-I172 HydrophobicContact CB-CG1 3.8Å; L167-I172 HydrophobicContact CD1-CG1 4.45Å; L167-I178 HydrophobicContact CD1-CG1 4.45Å; L167-I197 HydrophobicContact CD1-CD1 4.29Å
168S90.1Very high91.7Very high33 Ų3349 Ų4923%0.23127%0.27CS..  trans-75.7148.9174.559.80000111.3S170 N171 I172S168-S170 PolarHBondContact O-N 2.86Å; S168-S170 PolarHBondContact OG-OG 3.35Å; S168-N171 PolarHBondContact O-N 3.47Å; S168-N171 VanDerWaalsContact OG-CG 3.26Å; S168-N171 PolarHBondContact OG-ND2 3.2Å; S168-N171 VanDerWaalsContact OG-ND2 3.15Å; S168-I172 WeakPolarHBondContact O-CD1 3.4Å; S168-I172 WeakPolarHBondContact O-CG1 3.32Å
169P88.7Confident92.1Very high53 Ų5347.5 Ų47.534%0.34427%0.266SS..G310 helixtrans-55.4-29.6-179.1-24.932.2000114.5G116 P118 N171G116-P169 WeakPolarHBondContact O-CG 3.4Å; P118-P169 HydrophobicContact CB-CG 4.45Å; P169-N171 PolarHBondContact O-N 2.98Å
170S87.3Confident92.4Very high96 Ų9645.8 Ų45.867%0.67126%0.258SS*.G310 helixtrans-66.5-19176.961.30000114.7S168S168-S170 PolarHBondContact O-N 2.86Å; S168-S170 PolarHBondContact OG-OG 3.35Å
171N85.3Confident92.6Very high84 Ų8447.3 Ų47.345%0.44926%0.264SS..G310 helixtrans-115.817.4-167.2-63.5-0.4000111.6R138 S168 P169R138-N171 PolarHBondContact NH1-O 2.76Å; S168-N171 PolarHBondContact O-N 3.47Å; S168-N171 VanDerWaalsContact OG-CG 3.26Å; S168-N171 PolarHBondContact OG-ND2 3.2Å; S168-N171 VanDerWaalsContact OG-ND2 3.15Å; P169-N171 PolarHBondContact O-N 2.98Å
172I88.2Confident92.6Very high12 Ų1247 Ų476%0.06226%0.262CS..  trans-125.5132.4-174-60.3166.2000108.3L113 L119 L167 S168 I197 I199L113-I172 HydrophobicContact CD1-CD1 4.43Å; L119-I172 HydrophobicContact CB-CD1 3.67Å; L119-I172 HydrophobicContact CD2-CD1 4.49Å; L167-I172 HydrophobicContact CB-CD1 3.73Å; L167-I172 HydrophobicContact CB-CG1 3.8Å; L167-I172 HydrophobicContact CD1-CG1 4.45Å; S168-I172 WeakPolarHBondContact O-CD1 3.4Å; S168-I172 WeakPolarHBondContact O-CG1 3.32Å; I172-I197 HydrophobicContact CG2-CB 4.43Å; I172-I197 HydrophobicContact CG2-CD1 3.95Å; I172-I197 HydrophobicContact CG2-CG2 3.57Å; I172-I199 HydrophobicContact CB-CD1 4.5Å; I172-I199 HydrophobicContact CG2-CD1 3.9Å; I172-I199 HydrophobicContact CG2-CG1 4.15Å; I172-I199 WeakPolarHBondContact O-CD1 3.18Å
173E89.4Confident92.5Very high139 Ų13946.5 Ų46.565%0.6526%0.259SS*.  trans-130.4147.3178.5-64.9-177.7-174.600110.3G175 Q176E173-G175 PolarHBondContact O-N 2.82Å; E173-Q176 HydrophobicContact CB-CB 4.44Å; E173-Q176 WeakPolarHBondContact O-CB 3.44Å; E173-Q176 PolarHBondContact O-N 2.89Å
174T89.7Confident92.3Very high80 Ų8047.2 Ų47.249%0.49126%0.263SS..THydrogen-bonded Turntrans-65134.4175.3-66.10000110.3Q176 I199T174-Q176 PolarHBondContact O-N 2.87Å; T174-I199 WeakPolarHBondContact OG1-CA 3.35Å; T174-I199 WeakPolarHBondContact OG1-CB 3.45Å; T174-I199 WeakPolarHBondContact OG1-CG1 3.44Å; T174-I199 PolarHBondContact OG1-N 3.19Å; T174-I199 VanDerWaalsContact OG1-N 3.08Å; T174-I199 PolarHBondContact OG1-O 3.03Å
175G89.6Confident91.8Very high49 Ų4952.3 Ų52.351%0.50528%0.281SS..THydrogen-bonded Turntrans83.1-5.8-175.600000113.9E173 Q177 I197E173-G175 PolarHBondContact O-N 2.82Å; G175-Q177 PolarHBondContact O-N 2.81Å; G175-I197 PolarHBondContact N-O 2.92Å
176Q91.8Very high91.3Very high25 Ų2553.2 Ų53.212%0.11729%0.289CS..  trans-62.5122.4174.6-179.56283.900109.9R138 N139 E173 T174 I178 I197R138-Q176 HydrophobicContact CG-CG 4.27Å; N139-Q176 PolarHBondContact ND2-OE1 3.28Å; N139-Q176 VanDerWaalsContact ND2-OE1 3.16Å; N139-Q176 PolarHBondContact OD1-NE2 2.82Å; N139-Q176 PolarHBondContact OD1-OE1 3.26Å; E173-Q176 HydrophobicContact CB-CB 4.44Å; E173-Q176 WeakPolarHBondContact O-CB 3.44Å; E173-Q176 PolarHBondContact O-N 2.89Å; T174-Q176 PolarHBondContact O-N 2.87Å; Q176-I178 HydrophobicContact CG-CD1 3.98Å; Q176-I197 PolarHBondContact O-N 2.83Å
177Q94.4Very high91Very high95 Ų9548.3 Ų48.344%0.44427%0.273SS..EExtended strand (participates in β ladder)trans-88132172.1-166.2177.214.400109.6G175 S194 V195G175-Q177 PolarHBondContact O-N 2.81Å; Q177-S194 VanDerWaalsContact NE2-CB 3.29Å; Q177-S194 PolarHBondContact NE2-OG 2.86Å; Q177-V195 WeakPolarHBondContact CA-O 3.25Å
178I95.1Very high90.7Very high1 Ų152.5 Ų52.51%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-117.8129.4172.9-57.6-62.3000108.1L121 W136 R138 L143 L165 L167 Q176 S194 V195 I197L121-I178 HydrophobicContact CD1-CB 4.05Å; L121-I178 HydrophobicContact CD1-CG1 4.17Å; L121-I178 HydrophobicContact CD1-CG2 3.82Å; W136-I178 HydrophobicContact CE3-CG2 3.59Å; W136-I178 HydrophobicContact CZ3-CG2 3.94Å; R138-I178 HydrophobicContact CB-CD1 3.78Å; R138-I178 HydrophobicContact CG-CD1 3.68Å; L143-I178 HydrophobicContact CD1-CD1 4.4Å; L165-I178 HydrophobicContact CD2-CG2 4.4Å; L167-I178 HydrophobicContact CD1-CG1 4.45Å; Q176-I178 HydrophobicContact CG-CD1 3.98Å; I178-S194 CarbonylContact O-C 3.5Å; I178-S194 VanDerWaalsContact O-CA 3.29Å; I178-S194 WeakPolarHBondContact O-CA 3.33Å; I178-V195 HydrophobicContact CB-CG1 4Å; I178-V195 PolarHBondContact N-O 2.93Å; I178-V195 PolarHBondContact O-N 2.89Å; I178-I197 HydrophobicContact CD1-CD1 4.45Å; I178-I197 HydrophobicContact CG1-CD1 3.73Å; I178-I197 HydrophobicContact CG1-CG1 4.38Å
179I96.4Very high90.6Very high41 Ų4157.3 Ų57.321%0.2132%0.324CS..EExtended strand (participates in β ladder)trans-107132.7-177.4-63.3164000109.2W136 I137 E192 T193W136-I179 CarbonylContact C-O 3.41Å; W136-I179 WeakPolarHBondContact CA-O 3.31Å; I137-I179 HydrophobicContact CB-CB 4.18Å; I137-I179 PolarHBondContact N-O 2.75Å; I137-I179 PolarHBondContact O-N 2.92Å; I179-E192 HydrophobicContact CG2-CB 4.11Å; I179-E192 HydrophobicContact CG2-CG 4.19Å; I179-T193 CarbonylContact C-O 3.59Å; I179-T193 VanDerWaalsContact CA-O 3.32Å; I179-T193 WeakPolarHBondContact CA-O 3.38Å
180C96.1Very high90.8Very high0 Ų055.6 Ų55.60%032%0.316CS..EExtended strand (participates in β ladder)trans-100.4123.9163.7172.70000108.9I105 C123 I134 W136 E192 T193I105-C180 HydrophobicContact CD1-CB 3.78Å; I105-C180 HydrophobicContact CG1-CB 3.8Å; C123-C180 HydrophobicContact CB-CB 3.7Å; C123-C180 WeakPolarHBondContact CB-SG 2.97Å; C123-C180 WeakPolarHBondContact SG-CB 3.47Å; C123-C180 CovalentContact SG-SG 2.02Å; C123-C180 PolarHBondContact SG-SG 2.85Å; I134-C180 WeakPolarHBondContact CG2-SG 2.98Å; W136-C180 HydrophobicContact CE3-CB 4.08Å; W136-C180 HydrophobicContact CH2-CB 4.27Å; W136-C180 HydrophobicContact CZ3-CB 3.93Å; C180-E192 WeakPolarHBondContact O-CA 3.42Å; C180-T193 HydrophobicContact CB-CG2 3.91Å; C180-T193 PolarHBondContact N-O 3.31Å; C180-T193 PolarHBondContact O-N 2.92Å
181K96.3Very high91.1Very high44 Ų4453.8 Ų53.819%0.19130%0.296CS..EExtended strand (participates in β ladder)trans-114.2118.5177.8-178.9171.5-172.8134.60110.2I134 I135 I137 N189 K191 E192I134-K181 CarbonylContact C-O 3.6Å; I134-K181 VanDerWaalsContact CA-O 3.3Å; I134-K181 WeakPolarHBondContact CA-O 3.28Å; I135-K181 HydrophobicContact CD1-CD 4.23Å; I135-K181 HydrophobicContact CG1-CB 3.82Å; I135-K181 HydrophobicContact CG1-CD 4.35Å; I135-K181 HydrophobicContact CG1-CG 4.33Å; I135-K181 PolarHBondContact N-O 2.86Å; I135-K181 PolarHBondContact O-N 2.79Å; I137-K181 HydrophobicContact CD1-CB 4.05Å; I137-K181 HydrophobicContact CD1-CD 3.9Å; K181-N189 WeakPolarHBondContact CE-O 3.38Å; K181-N189 PolarHBondContact NZ-O 2.77Å; K181-K191 CarbonylContact C-O 3.56Å; K181-K191 WeakPolarHBondContact CA-O 3.46Å; K181-E192 HydrophobicContact CB-CG 3.8Å; K181-E192 HydrophobicContact CD-CG 4.02Å; K181-E192 VanDerWaalsContact CD-OE1 3.29Å; K181-E192 WeakPolarHBondContact CD-OE1 3.46Å; K181-E192 VanDerWaalsContact CE-OE1 3.32Å; K181-E192 WeakPolarHBondContact CE-OE1 3.39Å; K181-E192 HydrophobicContact CG-CG 3.67Å; K181-E192 IonicContact NZ-OE1 3.98Å; K181-E192 PolarHBondContact NZ-OE1 2.79Å
182A96.5Very high91.6Very high0 Ų054.8 Ų54.80%030%0.298CS..EExtended strand (participates in β ladder)trans-106.4122.5176.800000110.6P103 A125 S133 I134 G190 K191P103-A182 HydrophobicContact CB-CB 4.05Å; P103-A182 HydrophobicContact CG-CB 4.23Å; A125-A182 HydrophobicContact CB-CB 3.6Å; S133-A182 WeakPolarHBondContact O-CA 3.5Å; I134-A182 HydrophobicContact CG1-CB 4.23Å; A182-G190 CarbonylContact O-C 3.05Å; A182-G190 WeakPolarHBondContact O-CA 3.39Å; A182-K191 PolarHBondContact N-O 2.89Å; A182-K191 PolarHBondContact O-N 3.01Å
183S94Very high91.9Very high22 Ų2256.3 Ų56.315%0.15431%0.308CS..EExtended strand (participates in β ladder)trans-130.4154.4-177.262.80000112.4A132 S133A132-S183 CarbonylContact C-O 3.48Å; A132-S183 VanDerWaalsContact CA-O 3.23Å; A132-S183 WeakPolarHBondContact CA-O 3.24Å; A132-S183 WeakPolarHBondContact CB-O 3.44Å; S133-S183 PolarHBondContact N-O 3.2Å; S133-S183 PolarHBondContact O-N 2.03Å; S133-S183 PolarHBondContact O-OG 2.86Å; S133-S183 PolarHBondContact OG-O 2.99Å; S133-S183 PolarHBondContact OG-OG 3.29Å
184N91.1Very high92.2Very high15 Ų1551.8 Ų51.88%0.0829%0.291CS..EExtended strand (participates in β ladder)trans-157.2168.3178.8-178.615.6000108.1V98 K129 P130 A186 V187V98-N184 PolarHBondContact O-ND2 3Å; K129-N184 PolarHBondContact O-ND2 2.66Å; P130-N184 VanDerWaalsContact CD-OD1 3.3Å; P130-N184 WeakPolarHBondContact CD-OD1 3.29Å; P130-N184 WeakPolarHBondContact CG-OD1 3.24Å; P130-N184 PolarHBondContact O-ND2 3.01Å; P130-N184 VanDerWaalsContact O-ND2 3.17Å; N184-A186 PolarHBondContact O-N 3.47Å; N184-V187 PolarHBondContact N-O 3.42Å; N184-V187 CarbonylContact O-C 3.51Å; N184-V187 PolarHBondContact O-N 3.24Å; N184-V187 VanDerWaalsContact O-O 3.12Å
185K86.9Confident92.5Very high158 Ų15848 Ų4869%0.68727%0.268SS*.THydrogen-bonded Turntrans-49.4-25.1171.9-63.2-175.2177.5-175.50113.9V97V97-K185 HydrophobicContact CG1-CB 3.99Å; V97-K185 HydrophobicContact CG2-CB 4.01Å
186A84Confident92.8Very high21 Ų2148 Ų4817%0.17426%0.258CS..THydrogen-bonded Turntrans-76-33.9176.400000113.6V12 V97 P99 N184V12-A186 HydrophobicContact CG1-CB 4.26Å; V97-A186 HydrophobicContact CG1-CB 3.41Å; V97-A186 VanDerWaalsContact CG1-CB 3.41Å; P99-A186 VanDerWaalsContact CA-CB 3.47Å; P99-A186 HydrophobicContact CB-CB 3.86Å; N184-A186 PolarHBondContact O-N 3.47Å
187V87.8Confident92.9Very high34 Ų3446.9 Ų46.921%0.20625%0.253CS..EExtended strand (participates in β ladder)trans-13777.8-176.9-167.70000107.4P99 N184 N189 G190 K191P99-V187 HydrophobicContact CB-CG2 3.6Å; N184-V187 PolarHBondContact N-O 3.42Å; N184-V187 CarbonylContact O-C 3.51Å; N184-V187 PolarHBondContact O-N 3.24Å; N184-V187 VanDerWaalsContact O-O 3.12Å; V187-N189 PolarHBondContact O-N 2.87Å; V187-G190 PolarHBondContact O-N 2.67Å; V187-K191 HydrophobicContact CG1-CG 4.4Å
188P85.5Confident92.9Very high100 Ų10043.6 Ų43.665%0.64924%0.239SC*.EExtended strand (participates in β ladder)trans-60.7-33.7-175.6-25.135.7000112.7G190P188-G190 PolarHBondContact O-N 3.11Å
189N89.4Confident92.9Very high135 Ų13544.8 Ų44.872%0.72225%0.245SC*.EExtended strand (participates in β ladder)trans-73.3-9.1177.2-63-10.9000113.4K181 V187K181-N189 WeakPolarHBondContact CE-O 3.38Å; K181-N189 PolarHBondContact NZ-O 2.77Å; V187-N189 PolarHBondContact O-N 2.87Å
190G91.5Very high92.8Very high16 Ų1644.7 Ų44.717%0.16524%0.244CC..EExtended strand (participates in β ladder)trans71.7168.4-175.100000115.3A182 V187 P188A182-G190 CarbonylContact O-C 3.05Å; A182-G190 WeakPolarHBondContact O-CA 3.39Å; V187-G190 PolarHBondContact O-N 2.67Å; P188-G190 PolarHBondContact O-N 3.11Å
191K94.1Very high92.6Very high58 Ų5847.2 Ų47.225%0.25226%0.255SS..EExtended strand (participates in β ladder)trans-111148.1163.3-68.8174.8160.1-164.60108.2P100 D102 P103 K181 A182 V187P100-K191 WeakPolarHBondContact O-CE 3.48Å; P100-K191 PolarHBondContact O-NZ 2.79Å; D102-K191 VanDerWaalsContact OD1-CD 3.25Å; D102-K191 WeakPolarHBondContact OD1-CD 3.38Å; D102-K191 WeakPolarHBondContact OD1-CE 3.34Å; D102-K191 IonicContact OD1-NZ 2.71Å; D102-K191 PolarHBondContact OD1-NZ 2.82Å; P103-K191 HydrophobicContact CG-CB 4.29Å; K181-K191 CarbonylContact C-O 3.56Å; K181-K191 WeakPolarHBondContact CA-O 3.46Å; A182-K191 PolarHBondContact N-O 2.89Å; A182-K191 PolarHBondContact O-N 3.01Å; V187-K191 HydrophobicContact CG1-CG 4.4Å
192E95.1Very high92.6Very high105 Ų10549.1 Ų49.149%0.49127%0.267SS..EExtended strand (participates in β ladder)trans-131.3144.8-172.1-69.7178.1-151.800111.7I179 C180 K181I179-E192 HydrophobicContact CG2-CB 4.11Å; I179-E192 HydrophobicContact CG2-CG 4.19Å; C180-E192 WeakPolarHBondContact O-CA 3.42Å; K181-E192 HydrophobicContact CB-CG 3.8Å; K181-E192 HydrophobicContact CD-CG 4.02Å; K181-E192 VanDerWaalsContact CD-OE1 3.29Å; K181-E192 WeakPolarHBondContact CD-OE1 3.46Å; K181-E192 VanDerWaalsContact CE-OE1 3.32Å; K181-E192 WeakPolarHBondContact CE-OE1 3.39Å; K181-E192 HydrophobicContact CG-CG 3.67Å; K181-E192 IonicContact NZ-OE1 3.98Å; K181-E192 PolarHBondContact NZ-OE1 2.79Å
193T96Very high92.6Very high45 Ų4549.1 Ų49.128%0.27627%0.267SS..EExtended strand (participates in β ladder)trans-138.9157170.9-169.30000108.6P103 I105 I179 C180P103-T193 HydrophobicContact CB-CG2 3.87Å; P103-T193 HydrophobicContact CG-CG2 3.9Å; P103-T193 WeakPolarHBondContact O-CB 3.38Å; P103-T193 WeakPolarHBondContact O-CG2 3.47Å; P103-T193 PolarHBondContact O-OG1 3.11Å; I105-T193 HydrophobicContact CD1-CG2 3.79Å; I105-T193 HydrophobicContact CG1-CG2 3.72Å; I179-T193 CarbonylContact C-O 3.59Å; I179-T193 VanDerWaalsContact CA-O 3.32Å; I179-T193 WeakPolarHBondContact CA-O 3.38Å; C180-T193 HydrophobicContact CB-CG2 3.91Å; C180-T193 PolarHBondContact N-O 3.31Å; C180-T193 PolarHBondContact O-N 2.92Å
194S95.3Very high92.7Very high43 Ų4353.5 Ų53.530%0.30129%0.288SS..EExtended strand (participates in β ladder)trans-136.9148.6-176.970.70000113.3Q177 I178Q177-S194 VanDerWaalsContact NE2-CB 3.29Å; Q177-S194 PolarHBondContact NE2-OG 2.86Å; I178-S194 CarbonylContact O-C 3.5Å; I178-S194 VanDerWaalsContact O-CA 3.29Å; I178-S194 WeakPolarHBondContact O-CA 3.33Å
195V96.2Very high93Very high0 Ų053.9 Ų53.90%029%0.291CS..EExtended strand (participates in β ladder)trans-120.3138.8170.265.50000109.9I105 P109 V111 L121 Q177 I178I105-V195 HydrophobicContact CD1-CB 4.11Å; I105-V195 HydrophobicContact CD1-CG1 3.96Å; I105-V195 HydrophobicContact CG2-CB 4.09Å; I105-V195 HydrophobicContact CG2-CG1 4.05Å; P109-V195 WeakPolarHBondContact O-CA 3.45Å; V111-V195 HydrophobicContact CB-CG2 4.08Å; V111-V195 HydrophobicContact CG2-CG2 3.57Å; L121-V195 HydrophobicContact CD1-CG1 3.9Å; L121-V195 HydrophobicContact CD2-CG1 4.12Å; Q177-V195 WeakPolarHBondContact CA-O 3.25Å; I178-V195 HydrophobicContact CB-CG1 4Å; I178-V195 PolarHBondContact N-O 2.93Å; I178-V195 PolarHBondContact O-N 2.89Å
196T95.9Very high93.5Very high49 Ų4951.2 Ų51.230%0.30128%0.284SS..EExtended strand (participates in β ladder)trans-97.1136.2170.1-56.20000109.4P109 V110 V111P109-T196 PolarHBondContact O-N 2.99Å; V110-T196 WeakPolarHBondContact CA-O 3.36Å; V111-T196 PolarHBondContact N-O 3.09Å
197I94.2Very high94.1Very high2 Ų250.4 Ų50.41%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-92.5133.2179.6-56173.5000110.6L113 L119 L167 I172 G175 Q176 I178 I199L113-I197 HydrophobicContact CD2-CG2 3.39Å; L119-I197 HydrophobicContact CD2-CD1 3.8Å; L119-I197 HydrophobicContact CD2-CG1 4.07Å; L119-I197 HydrophobicContact CD2-CG2 4.29Å; L167-I197 HydrophobicContact CD1-CD1 4.29Å; I172-I197 HydrophobicContact CG2-CB 4.43Å; I172-I197 HydrophobicContact CG2-CD1 3.95Å; I172-I197 HydrophobicContact CG2-CG2 3.57Å; G175-I197 PolarHBondContact N-O 2.92Å; Q176-I197 PolarHBondContact O-N 2.83Å; I178-I197 HydrophobicContact CD1-CD1 4.45Å; I178-I197 HydrophobicContact CG1-CD1 3.73Å; I178-I197 HydrophobicContact CG1-CG1 4.38Å; I197-I199 HydrophobicContact CG2-CG1 4.32Å
198D94.1Very high94.5Very high26 Ų2650.2 Ų50.214%0.13928%0.277CS..EExtended strand (participates in β ladder)trans-118.4104178.717149.8000110.3V110 V111 S112 L113 Q200 N229V110-D198 HydrophobicContact CG1-CB 3.84Å; V111-D198 PolarHBondContact O-N 2.92Å; S112-D198 CarbonylContact C-O 3.59Å; S112-D198 VanDerWaalsContact CA-O 3.27Å; S112-D198 WeakPolarHBondContact CA-O 3.25Å; S112-D198 VanDerWaalsContact CB-OD2 3.29Å; S112-D198 WeakPolarHBondContact CB-OD2 3.37Å; S112-D198 PolarHBondContact OG-OD2 2.83Å; L113-D198 PolarHBondContact N-O 2.84Å; D198-Q200 WeakPolarHBondContact OD2-CG 3.19Å; D198-Q200 PolarHBondContact OD2-NE2 2.97Å; D198-N229 PolarHBondContact OD1-ND2 2.78Å
199I93.8Very high95Very high26 Ų2646 Ų4613%0.13325%0.25CC..EExtended strand (participates in β ladder)trans-92.4115178.4-43.1175000110L113 A115 I172 T174 I197 N229L113-I199 HydrophobicContact CD2-CG1 4.48Å; L113-I199 WeakPolarHBondContact O-CA 3.5Å; A115-I199 VanDerWaalsContact CA-CG2 3.43Å; A115-I199 HydrophobicContact CB-CG2 3.78Å; I172-I199 HydrophobicContact CB-CD1 4.5Å; I172-I199 HydrophobicContact CG2-CD1 3.9Å; I172-I199 HydrophobicContact CG2-CG1 4.15Å; I172-I199 WeakPolarHBondContact O-CD1 3.18Å; T174-I199 WeakPolarHBondContact OG1-CA 3.35Å; T174-I199 WeakPolarHBondContact OG1-CB 3.45Å; T174-I199 WeakPolarHBondContact OG1-CG1 3.44Å; T174-I199 PolarHBondContact OG1-N 3.19Å; T174-I199 VanDerWaalsContact OG1-N 3.08Å; T174-I199 PolarHBondContact OG1-O 3.03Å; I197-I199 HydrophobicContact CG2-CG1 4.32Å; I199-N229 PolarHBondContact O-ND2 3.06Å
200Q94.1Very high95.3Very high40 Ų4045.9 Ų45.919%0.18725%0.245CC..EExtended strand (participates in β ladder)trans-93.8138.2-178.8-60.7-171.7-3.500111.4S112 L113 R114 A115 D198 N229 P230 L273S112-Q200 PolarHBondContact OG-NE2 2.98Å; L113-Q200 PolarHBondContact O-N 3.32Å; R114-Q200 CarbonylContact C-O 3.19Å; R114-Q200 WeakPolarHBondContact CA-O 3.3Å; A115-Q200 PolarHBondContact N-O 3.27Å; D198-Q200 WeakPolarHBondContact OD2-CG 3.19Å; D198-Q200 PolarHBondContact OD2-NE2 2.97Å; Q200-N229 CarbonylContact C-O 3.55Å; Q200-N229 WeakPolarHBondContact CA-O 3.41Å; Q200-P230 HydrophobicContact CG-CG 4.27Å; Q200-L273 HydrophobicContact CB-CD1 3.8Å
201H93.6Very high95.5Very high53 Ų5348.8 Ų48.825%0.24526%0.261CS..EExtended strand (participates in β ladder)trans-147.6159.1-17863.987.2000112.7A115 K227 N229 N271A115-H201 HydrophobicContact CB-CB 4.15Å; H201-K227 PolarHBondContact CE1-O 3.26Å; H201-K227 VanDerWaalsContact CE1-O 3.3Å; H201-N229 PolarHBondContact N-O 3.11Å; H201-N271 PolarHBondContact O-ND2 2.81Å
202L95.6Very high95.3Very high83 Ų8349.4 Ų49.444%0.43527%0.265SS..EExtended strand (participates in β ladder)trans-63155.1172.1-74.3145.5000111.1L204L202-L204 PolarHBondContact O-N 2.86Å
203P97.1Very high95.2Very high1 Ų147.7 Ų47.71%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-58.8120.3179.5-25.236.6000112.5V205 A226 A228 V269 N271 T276P203-V205 HydrophobicContact CB-CG2 4.03Å; P203-V205 PolarHBondContact O-N 3.14Å; P203-A226 HydrophobicContact CB-CB 4.36Å; P203-A228 HydrophobicContact CB-CB 4.04Å; P203-A228 HydrophobicContact CG-CB 4.03Å; P203-V269 HydrophobicContact CB-CB 4.09Å; P203-V269 HydrophobicContact CB-CG1 3.98Å; P203-V269 HydrophobicContact CG-CG1 4.26Å; P203-N271 HydrophobicContact CG-CB 3.75Å; P203-T276 VanDerWaalsContact O-CB 3.26Å; P203-T276 WeakPolarHBondContact O-CB 3.44Å; P203-T276 WeakPolarHBondContact O-CG2 3.33Å; P203-T276 PolarHBondContact O-OG1 3.43Å
204L95.7Very high95.2Very high113 Ų11345.8 Ų45.859%0.59225%0.251SS*.EExtended strand (participates in β ladder)trans-83.392.7171.2-59.7174.8000108L202 A226 K227L202-L204 PolarHBondContact O-N 2.86Å; L204-A226 WeakPolarHBondContact O-CA 3.17Å; L204-K227 HydrophobicContact CB-CB 4.32Å; L204-K227 PolarHBondContact N-O 3.1Å; L204-K227 PolarHBondContact O-N 2.76Å
205V97.3Very high95.2Very high23 Ų2347.7 Ų47.714%0.13926%0.257CS..EExtended strand (participates in β ladder)trans-87.7137.8-172.6-175.50000111.7P203 C224 S225 A226 V269 T276 V278P203-V205 HydrophobicContact CB-CG2 4.03Å; P203-V205 PolarHBondContact O-N 3.14Å; V205-C224 VanDerWaalsContact CG1-SG 3.58Å; V205-S225 CarbonylContact C-O 3.57Å; V205-A226 HydrophobicContact CG2-CB 4.23Å; V205-V269 HydrophobicContact CB-CG2 4.41Å; V205-V269 HydrophobicContact CG1-CG2 3.93Å; V205-V269 HydrophobicContact CG2-CB 3.66Å; V205-V269 HydrophobicContact CG2-CG2 3.53Å; V205-T276 HydrophobicContact CB-CG2 4.47Å; V205-T276 HydrophobicContact CG2-CG2 4Å; V205-V278 HydrophobicContact CB-CG2 3.83Å; V205-V278 HydrophobicContact CG1-CB 4.12Å; V205-V278 HydrophobicContact CG1-CG2 3.99Å
206N96.8Very high95.2Very high103 Ų10350.6 Ų50.655%0.55127%0.271SS*.EExtended strand (participates in β ladder)trans-128.3123.4170.9-179.222.3000109.4C224 S225N206-C224 CarbonylContact O-C 3.55Å; N206-C224 WeakPolarHBondContact O-CA 3.47Å; N206-S225 PolarHBondContact N-O 3.09Å; N206-S225 PolarHBondContact O-N 2.86Å
207L97.1Very high95.1Very high4 Ų450.6 Ų50.62%0.02128%0.28CS..EExtended strand (participates in β ladder)trans-108.9108.2-179.8-178.857.8000110.6F222 C224 W237 C267 V278 R280L207-F222 HydrophobicContact CD1-CB 4.34Å; L207-F222 HydrophobicContact CD1-CD1 4.37Å; L207-C224 HydrophobicContact CD1-CB 4.26Å; L207-W237 HydrophobicContact CD1-CH2 3.66Å; L207-W237 HydrophobicContact CD1-CZ3 3.72Å; L207-C267 HydrophobicContact CD1-CB 4.38Å; L207-V278 HydrophobicContact CB-CG1 3.92Å; L207-R280 HydrophobicContact CD2-CB 3.87Å; L207-R280 HydrophobicContact CG-CB 4.3Å; L207-R280 WeakPolarHBondContact O-CD 3.27Å; L207-R280 PolarHBondContact O-NH1 2.91Å
208S96.1Very high95.2Very high30 Ų3054.3 Ų54.321%0.2130%0.3CS..EExtended strand (participates in β ladder)trans-100.6154.6172.360.20000111.4F222 H223S208-F222 WeakPolarHBondContact O-CA 3.44Å; S208-H223 PolarHBondContact N-O 3.44Å; S208-H223 PolarHBondContact O-N 3.23Å; S208-H223 PolarHBondContact OG-O 2.8Å
209V96.4Very high95.3Very high11 Ų1157.9 Ų57.97%0.06732%0.319CS..EExtended strand (participates in β ladder)trans-143.7119.1-176.4-171.20000108Q212 V220 K221 F222 R280 V282V209-Q212 HydrophobicContact CB-CG 4.41Å; V209-Q212 HydrophobicContact CG1-CG 4.21Å; V209-Q212 VanDerWaalsContact CG1-NE2 3.31Å; V209-V220 HydrophobicContact CG1-CG1 3.32Å; V209-K221 WeakPolarHBondContact CA-O 3.13Å; V209-F222 HydrophobicContact CB-CD1 4.32Å; V209-F222 HydrophobicContact CB-CE1 4.43Å; V209-F222 HydrophobicContact CG1-CD1 4.06Å; V209-F222 HydrophobicContact CG1-CE1 3.88Å; V209-F222 HydrophobicContact CG1-CG 4.42Å; V209-F222 HydrophobicContact CG1-CZ 4.14Å; V209-F222 HydrophobicContact CG2-CD1 3.45Å; V209-F222 VanDerWaalsContact CG2-CD1 3.45Å; V209-F222 HydrophobicContact CG2-CE1 3.63Å; V209-F222 HydrophobicContact CG2-CG 4.32Å; V209-R280 HydrophobicContact CG2-CG 4.27Å; V209-V282 HydrophobicContact CG1-CG2 4.27Å
210E95.3Very high95.5Very high133 Ų13356.7 Ų56.762%0.62131%0.313SS*.EExtended strand (participates in β ladder)trans-139.9138.8-174.2-66.1179.1-170.200110.8K221E210-K221 PolarHBondContact N-O 3.31Å; E210-K221 PolarHBondContact O-N 2.8Å
211P95.9Very high95.6Very high77 Ų7759 Ų5950%0.532%0.322SS..SBendcis-76.7159.1-7.633.7-35.6000112.9
212Q90.2Very high95.7Very high71 Ų7156.4 Ų56.433%0.33231%0.31SS..SBendtrans-141.2143.2165.4-70.2-167.6-12.800110V209V209-Q212 HydrophobicContact CB-CG 4.41Å; V209-Q212 HydrophobicContact CG1-CG 4.21Å; V209-Q212 VanDerWaalsContact CG1-NE2 3.31Å
213P93.5Very high95.8Very high68 Ų6855.6 Ų55.644%0.44230%0.304SS..SBendcis-67165.1-10.231.1-36.8000112.2D283 Y285P213-D283 WeakPolarHBondContact CA-O 3.29Å; P213-D283 HydrophobicContact CB-CB 4.37Å; P213-Y285 HydrophobicContact CB-CD1 4.09Å; P213-Y285 HydrophobicContact CB-CE1 3.52Å; P213-Y285 HydrophobicContact CB-CE2 4.06Å; P213-Y285 VanDerWaalsContact CB-CZ 3.5Å; P213-Y285 HydrophobicContact CG-CE1 4.29Å; P213-Y285 HydrophobicContact CG-CE2 4.11Å
214V95.8Very high95.8Very high6 Ų655.5 Ų55.54%0.03630%0.303CS..EExtended strand (participates in β ladder)trans-141.6140.7-173.160.10000111.4N218 V220 V256 V282 D283 V284 Y285V214-N218 HydrophobicContact CG2-CB 3.64Å; V214-V220 HydrophobicContact CB-CG2 4.1Å; V214-V220 HydrophobicContact CG1-CG2 3.76Å; V214-V220 HydrophobicContact CG2-CG2 3.71Å; V214-V256 HydrophobicContact CG1-CG2 3.86Å; V214-V256 HydrophobicContact CG2-CG2 4.12Å; V214-V282 HydrophobicContact CG1-CG1 3.69Å; V214-D283 PolarHBondContact N-O 3.46Å; V214-V284 HydrophobicContact CG1-CG2 4.27Å; V214-V284 CarbonylContact O-C 3.58Å; V214-V284 VanDerWaalsContact O-CA 3.3Å; V214-V284 WeakPolarHBondContact O-CA 3.36Å; V214-Y285 PolarHBondContact O-N 2.71Å
215L95.2Very high95.8Very high82 Ų8252.7 Ų52.743%0.42929%0.293SS..EExtended strand (participates in β ladder)trans-77.3145.3175.2-70162.3000111.5G217 N218 V358L215-G217 PolarHBondContact O-N 2.94Å; L215-N218 WeakPolarHBondContact O-CB 3.3Å; L215-N218 PolarHBondContact O-N 2.74Å; L215-N218 VanDerWaalsContact O-N 3.14Å; L215-V358 HydrophobicContact CD2-CG1 4.25Å; L215-V358 HydrophobicContact CD2-CG2 4.26Å
216E95.3Very high95.7Very high62 Ų6252.7 Ų52.729%0.2930%0.295SS..THydrogen-bonded Turntrans-53132.4169.7173.4163.2-131.500111H258 V284 Y285 F286 R289E216-H258 IonicContact OE1-CG 2.76Å; E216-H258 PolarHBondContact OE1-N 2.92Å; E216-H258 IonicContact OE1-ND1 3.65Å; E216-H258 PolarHBondContact OE1-ND1 2.96Å; E216-V284 HydrophobicContact CB-CG1 4.07Å; E216-Y285 PolarHBondContact N-O 2.6Å; E216-F286 HydrophobicContact CB-CB 4.12Å; E216-F286 WeakPolarHBondContact OE2-CB 2.96Å; E216-R289 IonicContact OE1-CZ 3.88Å; E216-R289 IonicContact OE1-NH2 3.74Å; E216-R289 PolarHBondContact OE1-NH2 2.83Å; E216-R289 IonicContact OE2-CZ 2.73Å; E216-R289 IonicContact OE2-NE 2.77Å; E216-R289 IonicContact OE2-NH2 3.59Å; E216-R289 PolarHBondContact OE2-NH2 3.42Å
217G94.9Very high95.7Very high48 Ų4855.3 Ų55.350%0.49530%0.302SS..THydrogen-bonded Turntrans92.1-4.6-17500000115.3L215 I255 V256L215-G217 PolarHBondContact O-N 2.94Å; G217-I255 WeakPolarHBondContact O-CG2 3.34Å; G217-V256 PolarHBondContact N-O 3.05Å
218N95.9Very high95.6Very high81 Ų8156.3 Ų56.343%0.43331%0.311SS..SBendtrans-91.1156.8174.7-71-9.8000112.9V214 L215 I255 V256V214-N218 HydrophobicContact CG2-CB 3.64Å; L215-N218 WeakPolarHBondContact O-CB 3.3Å; L215-N218 PolarHBondContact O-N 2.74Å; L215-N218 VanDerWaalsContact O-N 3.14Å; N218-I255 WeakPolarHBondContact O-CA 3.4Å; N218-V256 PolarHBondContact O-N 2.88Å
219L96.3Very high95.5Very high101 Ų10156.6 Ų56.653%0.52931%0.31SS..EExtended strand (participates in β ladder)trans-76.2136174.4-171.472.2000111.3E253 I255L219-E253 HydrophobicContact CD1-CB 4.42Å; L219-I255 HydrophobicContact CD1-CG1 4.2Å
220V96.4Very high95.4Very high1 Ų157.3 Ų57.31%0.00632%0.315CS..EExtended strand (participates in β ladder)trans-126.6142.2173.2176.20000109.7V209 V214 F222 E253 V254 V256V209-V220 HydrophobicContact CG1-CG1 3.32Å; V214-V220 HydrophobicContact CB-CG2 4.1Å; V214-V220 HydrophobicContact CG1-CG2 3.76Å; V214-V220 HydrophobicContact CG2-CG2 3.71Å; V220-F222 HydrophobicContact CG1-CD2 4.35Å; V220-F222 HydrophobicContact CG1-CE2 4.08Å; V220-E253 WeakPolarHBondContact O-CA 3.16Å; V220-V254 PolarHBondContact N-O 2.5Å; V220-V254 PolarHBondContact O-N 2.95Å; V220-V256 HydrophobicContact CB-CG1 3.85Å; V220-V256 HydrophobicContact CG2-CB 4.35Å; V220-V256 HydrophobicContact CG2-CG1 3.58Å; V220-V256 HydrophobicContact CG2-CG2 3.78Å
221K96.3Very high95.3Very high87 Ų8756 Ų5638%0.37832%0.317SS..EExtended strand (participates in β ladder)trans-106.8121.4172.1-174.8170.5-169.8131.10110.6V209 E210 E253V209-K221 WeakPolarHBondContact CA-O 3.13Å; E210-K221 PolarHBondContact N-O 3.31Å; E210-K221 PolarHBondContact O-N 2.8Å; K221-E253 HydrophobicContact CB-CG 4.02Å; K221-E253 HydrophobicContact CD-CG 4.27Å; K221-E253 WeakPolarHBondContact CD-OE1 3.09Å; K221-E253 WeakPolarHBondContact CE-OE1 3.12Å; K221-E253 HydrophobicContact CG-CG 3.82Å; K221-E253 IonicContact NZ-OE1 2.95Å; K221-E253 PolarHBondContact NZ-OE1 2.79Å
222F96.8Very high95.4Very high0 Ų054.3 Ų54.30%031%0.306CS..EExtended strand (participates in β ladder)trans-91.7136.5163.4-61.3-104.1000108.7L207 S208 V209 V220 W237 T251 Y252 V254 F260 V265 V282L207-F222 HydrophobicContact CD1-CB 4.34Å; L207-F222 HydrophobicContact CD1-CD1 4.37Å; S208-F222 WeakPolarHBondContact O-CA 3.44Å; V209-F222 HydrophobicContact CB-CD1 4.32Å; V209-F222 HydrophobicContact CB-CE1 4.43Å; V209-F222 HydrophobicContact CG1-CD1 4.06Å; V209-F222 HydrophobicContact CG1-CE1 3.88Å; V209-F222 HydrophobicContact CG1-CG 4.42Å; V209-F222 HydrophobicContact CG1-CZ 4.14Å; V209-F222 HydrophobicContact CG2-CD1 3.45Å; V209-F222 VanDerWaalsContact CG2-CD1 3.45Å; V209-F222 HydrophobicContact CG2-CE1 3.63Å; V209-F222 HydrophobicContact CG2-CG 4.32Å; V220-F222 HydrophobicContact CG1-CD2 4.35Å; V220-F222 HydrophobicContact CG1-CE2 4.08Å; F222-W237 HydrophobicContact CB-CH2 3.58Å; F222-W237 HydrophobicContact CB-CZ3 3.66Å; F222-W237 HydrophobicContact CD1-CZ3 4.4Å; F222-W237 HydrophobicContact CG-CZ3 4.24Å; F222-T251 WeakPolarHBondContact O-CA 3.25Å; F222-Y252 HydrophobicContact CB-CD1 4.4Å; F222-Y252 AromaticContact CD2-CD1 3.65Å; F222-Y252 HydrophobicContact CD2-CD1 3.65Å; F222-Y252 HydrophobicContact CD2-CE1 4.19Å; F222-Y252 HydrophobicContact CD2-CG 4.42Å; F222-Y252 HydrophobicContact CE2-CD1 4.14Å; F222-Y252 HydrophobicContact CE2-CE1 4.23Å; F222-Y252 HydrophobicContact CG-CD1 4.12Å; F222-Y252 PolarHBondContact N-O 2.98Å; F222-Y252 PolarHBondContact O-N 3.44Å; F222-V254 HydrophobicContact CD2-CG1 4.38Å; F222-V254 HydrophobicContact CE2-CG1 3.83Å; F222-F260 HydrophobicContact CZ-CD1 4.26Å; F222-F260 HydrophobicContact CZ-CE1 4.46Å; F222-V265 HydrophobicContact CD1-CB 4.07Å; F222-V265 HydrophobicContact CD1-CG1 3.87Å; F222-V265 HydrophobicContact CE1-CB 3.49Å; F222-V265 VanDerWaalsContact CE1-CB 3.49Å; F222-V265 HydrophobicContact CE1-CG1 3.8Å; F222-V265 HydrophobicContact CE1-CG2 3.74Å; F222-V265 HydrophobicContact CE2-CG2 4.27Å; F222-V265 HydrophobicContact CG-CG1 4.38Å; F222-V265 HydrophobicContact CZ-CB 3.86Å; F222-V265 HydrophobicContact CZ-CG1 4.2Å; F222-V265 HydrophobicContact CZ-CG2 3.53Å; F222-V282 HydrophobicContact CE1-CG2 3.87Å; F222-V282 HydrophobicContact CE2-CG2 4.43Å; F222-V282 HydrophobicContact CZ-CG2 3.4Å
223H97.1Very high95.6Very high65 Ų6555 Ų5530%0.30132%0.318SS..EExtended strand (participates in β ladder)trans-130.2125.1172.6175.262.1000110S208 D250 T251S208-H223 PolarHBondContact N-O 3.44Å; S208-H223 PolarHBondContact O-N 3.23Å; S208-H223 PolarHBondContact OG-O 2.8Å; H223-D250 IonicContact CE1-OD2 3.13Å; H223-D250 PolarHBondContact CE1-OD2 3.25Å; H223-D250 IonicContact ND1-OD2 2.75Å; H223-D250 PolarHBondContact ND1-OD2 2.92Å; H223-T251 HydrophobicContact CB-CG2 4.36Å
224C97Very high95.7Very high0 Ų055.8 Ų55.80%032%0.318CS..EExtended strand (participates in β ladder)trans-111.186.4-173.8-176.70000109.2V205 N206 L207 Y235 W237 D250 C267 V269V205-C224 VanDerWaalsContact CG1-SG 3.58Å; N206-C224 CarbonylContact O-C 3.55Å; N206-C224 WeakPolarHBondContact O-CA 3.47Å; L207-C224 HydrophobicContact CD1-CB 4.26Å; C224-Y235 HydrophobicContact CB-CD1 4.5Å; C224-Y235 HydrophobicContact CB-CE1 4.44Å; C224-Y235 VanDerWaalsContact O-CE1 3.31Å; C224-Y235 WeakPolarHBondContact O-CE1 3.4Å; C224-W237 HydrophobicContact CB-CH2 3.64Å; C224-W237 HydrophobicContact CB-CZ2 3.55Å; C224-D250 PolarHBondContact N-O 3.26Å; C224-C267 HydrophobicContact CB-CB 3.75Å; C224-C267 WeakPolarHBondContact CB-SG 3.32Å; C224-C267 WeakPolarHBondContact SG-CB 3.23Å; C224-C267 CovalentContact SG-SG 2.03Å; C224-C267 PolarHBondContact SG-SG 3.5Å; C224-V269 VanDerWaalsContact SG-CG2 3.51Å
225S95.9Very high95.7Very high54 Ų5457.9 Ų57.938%0.37833%0.326SS..EExtended strand (participates in β ladder)trans-80.9134177.2-176.90000110V205 N206V205-S225 CarbonylContact C-O 3.57Å; N206-S225 PolarHBondContact N-O 3.09Å; N206-S225 PolarHBondContact O-N 2.86Å
226A96.3Very high95.7Very high22 Ų2258.9 Ų58.918%0.18232%0.324CS..EExtended strand (participates in β ladder)trans-133.4130176.600000112.3P203 L204 V205 V232 V269P203-A226 HydrophobicContact CB-CB 4.36Å; L204-A226 WeakPolarHBondContact O-CA 3.17Å; V205-A226 HydrophobicContact CG2-CB 4.23Å; A226-V232 HydrophobicContact CB-CG2 4.14Å; A226-V269 HydrophobicContact CB-CB 4.34Å; A226-V269 HydrophobicContact CB-CG1 3.78Å; A226-V269 HydrophobicContact CB-CG2 4.23Å
227K94.9Very high95.8Very high159 Ų15956 Ų5669%0.69131%0.311SS*.EExtended strand (participates in β ladder)trans-94.5117.4166-64.2-178.7179.3-178.60108.3H201 L204H201-K227 PolarHBondContact CE1-O 3.26Å; H201-K227 VanDerWaalsContact CE1-O 3.3Å; L204-K227 HydrophobicContact CB-CB 4.32Å; L204-K227 PolarHBondContact N-O 3.1Å; L204-K227 PolarHBondContact O-N 2.76Å
228A95Very high95.9Very high25 Ų2554 Ų5421%0.20729%0.289CS..EExtended strand (participates in β ladder)trans-139.6144-177.700000111.2P203 P230 V232P203-A228 HydrophobicContact CB-CB 4.04Å; P203-A228 HydrophobicContact CG-CB 4.03Å; A228-P230 CarbonylContact C-O 3.56Å; A228-P230 VanDerWaalsContact C-O 3.22Å; A228-V232 HydrophobicContact CB-CG2 3.77Å
229N94.4Very high95.8Very high36 Ų3651.6 Ų51.619%0.19328%0.275CS..EExtended strand (participates in β ladder)trans-139119.4167.8-17426.4000109.7D198 I199 Q200 H201 N271D198-N229 PolarHBondContact OD1-ND2 2.78Å; I199-N229 PolarHBondContact O-ND2 3.06Å; Q200-N229 CarbonylContact C-O 3.55Å; Q200-N229 WeakPolarHBondContact CA-O 3.41Å; H201-N229 PolarHBondContact N-O 3.11Å; N229-N271 PolarHBondContact O-ND2 3Å
230P93.9Very high95.6Very high26 Ų2648.7 Ų48.717%0.16927%0.269CS..SBendcis-58170-3.5-25.638000113.6Q200 A228 N271 S272Q200-P230 HydrophobicContact CG-CG 4.27Å; A228-P230 CarbonylContact C-O 3.56Å; A228-P230 VanDerWaalsContact C-O 3.22Å; P230-N271 WeakPolarHBondContact CB-OD1 3.19Å; P230-N271 WeakPolarHBondContact CD-ND2 3.31Å; P230-N271 WeakPolarHBondContact CD-OD1 3.31Å; P230-N271 PolarHBondContact O-ND2 3.48Å; P230-N271 VanDerWaalsContact O-ND2 3.08Å; P230-N271 PolarHBondContact O-OD1 2.78Å; P230-N271 VanDerWaalsContact O-OD1 3.07Å; P230-S272 WeakPolarHBondContact CG-OG 3.01Å
231P95.1Very high95.3Very high104 Ų10451.7 Ų51.768%0.67530%0.301SS*.PPolyproline II helixtrans-63.4157.1-174.225.1-34.5000112.9S233P231-S233 PolarHBondContact O-N 3.08Å
232V96.2Very high95.2Very high43 Ų4353.1 Ų53.126%0.26131%0.313SS..PPolyproline II helixtrans-57.5131.9178.2177.40000110.8A226 A228 Y235 V269A226-V232 HydrophobicContact CB-CG2 4.14Å; A228-V232 HydrophobicContact CB-CG2 3.77Å; V232-Y235 HydrophobicContact CB-CE2 4.39Å; V232-Y235 HydrophobicContact CG1-CD2 3.97Å; V232-Y235 HydrophobicContact CG1-CE2 3.55Å; V232-V269 HydrophobicContact CB-CG1 4.24Å; V232-V269 HydrophobicContact CG1-CG1 3.43Å; V232-V269 VanDerWaalsContact CG1-CG1 3.43Å; V232-V269 HydrophobicContact CG2-CG1 3.74Å
233S95.4Very high95Very high84 Ų8457.2 Ų57.259%0.58733%0.333SS*.  trans-103.5-24.717861.40000113.8P231 T270P231-S233 PolarHBondContact O-N 3.08Å; S233-T270 PolarHBondContact N-O 2.86Å; S233-T270 PolarHBondContact OG-O 3.23Å
234L94.9Very high94.9Very high85 Ų8556.3 Ų56.345%0.44533%0.33SS..EExtended strand (participates in β ladder)trans-157.1143.2-178.7-175.563.8000112.3R236 T270L234-R236 HydrophobicContact CD2-CG 3.83Å; L234-R236 HydrophobicContact CG-CG 4Å; L234-T270 PolarHBondContact N-O 2.96Å; L234-T270 PolarHBondContact O-N 2.78Å
235Y96.2Very high94.5Very high51 Ų5165.8 Ų65.820%0.237%0.371CS..EExtended strand (participates in β ladder)trans-111142.1163.7-71.7-92.2000109.7C224 V232 G249 D250 E268 V269C224-Y235 HydrophobicContact CB-CD1 4.5Å; C224-Y235 HydrophobicContact CB-CE1 4.44Å; C224-Y235 VanDerWaalsContact O-CE1 3.31Å; C224-Y235 WeakPolarHBondContact O-CE1 3.4Å; V232-Y235 HydrophobicContact CB-CE2 4.39Å; V232-Y235 HydrophobicContact CG1-CD2 3.97Å; V232-Y235 HydrophobicContact CG1-CE2 3.55Å; Y235-G249 WeakPolarHBondContact CB-O 3.47Å; Y235-D250 HydrophobicContact CD1-CB 4.36Å; Y235-D250 HydrophobicContact CE1-CB 3.92Å; Y235-D250 HydrophobicContact CE2-CB 4.18Å; Y235-E268 CarbonylContact C-O 3.53Å; Y235-V269 HydrophobicContact CD1-CB 4.46Å; Y235-V269 HydrophobicContact CD1-CG1 4.19Å; Y235-V269 HydrophobicContact CD1-CG2 3.66Å; Y235-V269 HydrophobicContact CE1-CB 4.41Å; Y235-V269 HydrophobicContact CE1-CG1 3.87Å; Y235-V269 HydrophobicContact CE1-CG2 3.63Å
236R95.6Very high94.1Very high103 Ų10372.5 Ų72.539%0.38940%0.397SS..EExtended strand (participates in β ladder)trans-139.7126.1-179.6-75.6167.765.898.13.3109.6L234 M243 E268L234-R236 HydrophobicContact CD2-CG 3.83Å; L234-R236 HydrophobicContact CG-CG 4Å; R236-M243 HydrophobicContact CB-CE 4.03Å; R236-E268 HydrophobicContact CB-CB 4.08Å; R236-E268 VanDerWaalsContact CD-OE2 3.32Å; R236-E268 WeakPolarHBondContact CD-OE2 3.24Å; R236-E268 IonicContact CZ-OE2 2.67Å; R236-E268 PolarHBondContact N-O 2.91Å; R236-E268 IonicContact NE-OE2 3.4Å; R236-E268 PolarHBondContact NE-OE2 3.31Å; R236-E268 PolarHBondContact O-N 3.49Å
237W97.1Very high93.8Very high1 Ų172.9 Ų72.90%0.00440%0.397CS..EExtended strand (participates in β ladder)trans-105.8146.4179.2-67.689000111.7L207 F222 C224 M243 L244 V247 G249 Y252 V265 S266 C267L207-W237 HydrophobicContact CD1-CH2 3.66Å; L207-W237 HydrophobicContact CD1-CZ3 3.72Å; F222-W237 HydrophobicContact CB-CH2 3.58Å; F222-W237 HydrophobicContact CB-CZ3 3.66Å; F222-W237 HydrophobicContact CD1-CZ3 4.4Å; F222-W237 HydrophobicContact CG-CZ3 4.24Å; C224-W237 HydrophobicContact CB-CH2 3.64Å; C224-W237 HydrophobicContact CB-CZ2 3.55Å; W237-M243 WeakPolarHBondContact O-CE 3.32Å; W237-L244 HydrophobicContact CB-CB 4.14Å; W237-L244 HydrophobicContact CB-CD1 4.21Å; W237-L244 PolarHBondContact O-N 2.9Å; W237-V247 HydrophobicContact CB-CB 4.28Å; W237-V247 HydrophobicContact CB-CG1 4.3Å; W237-V247 HydrophobicContact CD2-CG1 4.5Å; W237-V247 HydrophobicContact CG-CB 4.31Å; W237-V247 HydrophobicContact CG-CG1 3.83Å; W237-G249 PolarHBondContact NE1-O 2.84Å; W237-Y252 HydrophobicContact CD2-CG 4.44Å; W237-Y252 HydrophobicContact CE3-CD1 4.08Å; W237-Y252 HydrophobicContact CE3-CG 4.39Å; W237-Y252 HydrophobicContact CZ3-CD1 4.38Å; W237-V265 HydrophobicContact CE3-CG1 3.77Å; W237-V265 HydrophobicContact CZ3-CG1 3.92Å; W237-S266 WeakPolarHBondContact CA-O 3.46Å; W237-C267 HydrophobicContact CD2-CB 4.37Å; W237-C267 HydrophobicContact CE3-CB 4.06Å; W237-C267 HydrophobicContact CH2-CB 4.12Å; W237-C267 HydrophobicContact CZ2-CB 4.39Å; W237-C267 HydrophobicContact CZ3-CB 3.94Å
238A96.2Very high93.3Very high6 Ų670.4 Ų70.45%0.0540%0.399CS..EExtended strand (participates in β ladder)trans-144.7156.7169.700000111.6N242 M243 V265 S266A238-N242 CarbonylContact C-O 3.57Å; A238-N242 WeakPolarHBondContact CA-O 3.41Å; A238-N242 VanDerWaalsContact CB-O 3.25Å; A238-N242 WeakPolarHBondContact CB-O 3.39Å; A238-M243 HydrophobicContact CB-SD 4.07Å; A238-V265 CarbonylContact O-C 3.56Å; A238-V265 WeakPolarHBondContact O-CA 3.45Å; A238-S266 PolarHBondContact N-O 3.43Å; A238-S266 PolarHBondContact O-N 2.76Å; A238-S266 PolarHBondContact O-OG 3.32Å
239K95.5Very high93.1Very high30 Ų3070.6 Ų70.613%0.1340%0.404CS..EExtended strand (participates in β ladder)trans-130.5126.4174.5-177.4-163.6175.6-149.70108.9G241 N242 L244 D257 S259 F260 E263 V265K239-G241 PolarHBondContact O-N 3.11Å; K239-G241 VanDerWaalsContact O-N 3.07Å; K239-N242 PolarHBondContact N-O 2.61Å; K239-N242 WeakPolarHBondContact O-CB 3.4Å; K239-N242 PolarHBondContact O-N 3Å; K239-L244 HydrophobicContact CB-CD1 4.38Å; K239-D257 IonicContact NZ-OD1 2.99Å; K239-S259 PolarHBondContact NZ-OG 2.67Å; K239-F260 HydrophobicContact CD-CD1 4.29Å; K239-F260 HydrophobicContact CD-CE1 3.8Å; K239-F260 HydrophobicContact CD-CE2 4.25Å; K239-F260 HydrophobicContact CD-CZ 3.79Å; K239-F260 HydrophobicContact CG-CE1 4.37Å; K239-E263 WeakPolarHBondContact CE-OE2 3.35Å; K239-E263 HydrophobicContact CG-CB 4.33Å; K239-E263 IonicContact NZ-OE2 2.67Å; K239-E263 PolarHBondContact NZ-OE2 3.04Å; K239-E263 VanDerWaalsContact NZ-OE2 3.15Å; K239-V265 HydrophobicContact CB-CG2 4.36Å; K239-V265 HydrophobicContact CG-CG2 4.12Å
240G92Very high93.1Very high40 Ų4071.8 Ų71.841%0.41241%0.41SS..THydrogen-bonded Turntrans58.223.6-178.500000114P264G240-P264 PolarHBondContact N-O 2.88Å
241G89.9Confident93.2Very high65 Ų6572.8 Ų72.867%0.6742%0.416SS*.THydrogen-bonded Turntrans88.6-9.9-172.800000115.6K239K239-G241 PolarHBondContact O-N 3.11Å; K239-G241 VanDerWaalsContact O-N 3.07Å
242N93.6Very high93.2Very high117 Ų11769 Ų6963%0.62639%0.388SS*.EExtended strand (participates in β ladder)trans-86124.6178.5-66.7-51.7000111.7A238 K239 L244A238-N242 CarbonylContact C-O 3.57Å; A238-N242 WeakPolarHBondContact CA-O 3.41Å; A238-N242 VanDerWaalsContact CB-O 3.25Å; A238-N242 WeakPolarHBondContact CB-O 3.39Å; K239-N242 PolarHBondContact N-O 2.61Å; K239-N242 WeakPolarHBondContact O-CB 3.4Å; K239-N242 PolarHBondContact O-N 3Å; N242-L244 PolarHBondContact O-N 2.87Å
243M93.4Very high93.2Very high86 Ų8671.8 Ų71.842%0.42440%0.399SS..EExtended strand (participates in β ladder)trans-68.9123.4-178.4-65-59.5-43.800112.8R236 W237 A238 K245R236-M243 HydrophobicContact CB-CE 4.03Å; W237-M243 WeakPolarHBondContact O-CE 3.32Å; A238-M243 HydrophobicContact CB-SD 4.07Å; M243-K245 PolarHBondContact O-N 2.86Å
244L94.3Very high93.2Very high46 Ų4669.1 Ų69.124%0.24138%0.379CS..EExtended strand (participates in β ladder)trans-88.290.2176.3-59.7177.4000110W237 K239 N242 E246 V247 Y252W237-L244 HydrophobicContact CB-CB 4.14Å; W237-L244 HydrophobicContact CB-CD1 4.21Å; W237-L244 PolarHBondContact O-N 2.9Å; K239-L244 HydrophobicContact CB-CD1 4.38Å; N242-L244 PolarHBondContact O-N 2.87Å; L244-E246 VanDerWaalsContact C-N 3.31Å; L244-E246 PolarHBondContact O-N 3.24Å; L244-V247 HydrophobicContact CB-CB 4.43Å; L244-V247 HydrophobicContact CB-CG2 4.01Å; L244-V247 PolarHBondContact O-N 3.08Å; L244-Y252 HydrophobicContact CD1-CD1 4.43Å; L244-Y252 HydrophobicContact CD1-CE1 3.72Å; L244-Y252 HydrophobicContact CD1-CE2 4.12Å
245K88.3Confident93.3Very high198 Ų19870.2 Ų70.286%0.86138%0.384SS*.THydrogen-bonded Turntrans-70.4-22.8-174.4-66.4-179.3-179175.30114.9M243 V247M243-K245 PolarHBondContact O-N 2.86Å; K245-V247 VanDerWaalsContact C-N 3.31Å
246E87.8Confident93.2Very high195 Ų19567.9 Ų67.991%0.91138%0.375SS*.THydrogen-bonded Turntrans-82.7-13.2-176.6-64.8173.6-173.300112.4L244L244-E246 VanDerWaalsContact C-N 3.31Å; L244-E246 PolarHBondContact O-N 3.24Å
247V90.3Very high93.2Very high30 Ų3065.9 Ų65.918%0.18237%0.372CS..  trans-99118.2-177.7-171.30000109.1W237 L244 K245 Y252W237-V247 HydrophobicContact CB-CB 4.28Å; W237-V247 HydrophobicContact CB-CG1 4.3Å; W237-V247 HydrophobicContact CD2-CG1 4.5Å; W237-V247 HydrophobicContact CG-CB 4.31Å; W237-V247 HydrophobicContact CG-CG1 3.83Å; L244-V247 HydrophobicContact CB-CB 4.43Å; L244-V247 HydrophobicContact CB-CG2 4.01Å; L244-V247 PolarHBondContact O-N 3.08Å; K245-V247 VanDerWaalsContact C-N 3.31Å; V247-Y252 HydrophobicContact CB-CD2 4.26Å; V247-Y252 HydrophobicContact CG1-CD2 3.72Å; V247-Y252 HydrophobicContact CG1-CG 4.03Å; V247-Y252 HydrophobicContact CG2-CD2 3.48Å; V247-Y252 VanDerWaalsContact CG2-CD2 3.48Å; V247-Y252 HydrophobicContact CG2-CE2 3.62Å; V247-Y252 HydrophobicContact CG2-CG 4.39Å
248S83.5Confident93Very high107 Ų10769.2 Ų69.275%0.74839%0.387SS*.  trans-129.1144.4175.462.90000110.2
249G91.9Very high92.9Very high29 Ų2969.8 Ų69.830%0.29939%0.391SS..SBendtrans97.1-174-173.900000114.1Y235 W237Y235-G249 WeakPolarHBondContact CB-O 3.47Å; W237-G249 PolarHBondContact NE1-O 2.84Å
250D94.8Very high92.9Very high61 Ų6168.7 Ų68.733%0.32639%0.386SS..SBendtrans-86.1-4.2-172.167.7-46.3000114H223 C224 Y235H223-D250 IonicContact CE1-OD2 3.13Å; H223-D250 PolarHBondContact CE1-OD2 3.25Å; H223-D250 IonicContact ND1-OD2 2.75Å; H223-D250 PolarHBondContact ND1-OD2 2.92Å; C224-D250 PolarHBondContact N-O 3.26Å; Y235-D250 HydrophobicContact CD1-CB 4.36Å; Y235-D250 HydrophobicContact CE1-CB 3.92Å; Y235-D250 HydrophobicContact CE2-CB 4.18Å
251T95.9Very high93Very high48 Ų4870.6 Ų70.629%0.29438%0.384SS..EExtended strand (participates in β ladder)trans-126.3141.6179.953.60000112.3F222 H223F222-T251 WeakPolarHBondContact O-CA 3.25Å; H223-T251 HydrophobicContact CB-CG2 4.36Å
252Y95.4Very high93.1Very high23 Ų2372.2 Ų72.29%0.0938%0.381CS..EExtended strand (participates in β ladder)trans-134.2119.6175.7170.5-134.1000109.1F222 W237 L244 V247 V254 V265F222-Y252 HydrophobicContact CB-CD1 4.4Å; F222-Y252 AromaticContact CD2-CD1 3.65Å; F222-Y252 HydrophobicContact CD2-CD1 3.65Å; F222-Y252 HydrophobicContact CD2-CE1 4.19Å; F222-Y252 HydrophobicContact CD2-CG 4.42Å; F222-Y252 HydrophobicContact CE2-CD1 4.14Å; F222-Y252 HydrophobicContact CE2-CE1 4.23Å; F222-Y252 HydrophobicContact CG-CD1 4.12Å; F222-Y252 PolarHBondContact N-O 2.98Å; F222-Y252 PolarHBondContact O-N 3.44Å; W237-Y252 HydrophobicContact CD2-CG 4.44Å; W237-Y252 HydrophobicContact CE3-CD1 4.08Å; W237-Y252 HydrophobicContact CE3-CG 4.39Å; W237-Y252 HydrophobicContact CZ3-CD1 4.38Å; L244-Y252 HydrophobicContact CD1-CD1 4.43Å; L244-Y252 HydrophobicContact CD1-CE1 3.72Å; L244-Y252 HydrophobicContact CD1-CE2 4.12Å; V247-Y252 HydrophobicContact CB-CD2 4.26Å; V247-Y252 HydrophobicContact CG1-CD2 3.72Å; V247-Y252 HydrophobicContact CG1-CG 4.03Å; V247-Y252 HydrophobicContact CG2-CD2 3.48Å; V247-Y252 VanDerWaalsContact CG2-CD2 3.48Å; V247-Y252 HydrophobicContact CG2-CE2 3.62Å; V247-Y252 HydrophobicContact CG2-CG 4.39Å; Y252-V254 HydrophobicContact CD1-CG1 4.47Å; Y252-V254 HydrophobicContact CE1-CB 4.23Å; Y252-V254 HydrophobicContact CE1-CG1 3.79Å; Y252-V254 HydrophobicContact CE2-CB 3.86Å; Y252-V254 HydrophobicContact CE2-CG1 4.33Å; Y252-V254 HydrophobicContact CE2-CG2 4.43Å; Y252-V254 WeakPolarHBondContact OH-CG2 3.34Å; Y252-V265 HydrophobicContact CD1-CG1 4.1Å; Y252-V265 HydrophobicContact CE1-CG1 4.21Å
253E95.4Very high93.2Very high103 Ų10370 Ų7048%0.48137%0.366SS..EExtended strand (participates in β ladder)trans-112.8129.3178.6-70.2178.9-167.800109.5L219 V220 K221L219-E253 HydrophobicContact CD1-CB 4.42Å; V220-E253 WeakPolarHBondContact O-CA 3.16Å; K221-E253 HydrophobicContact CB-CG 4.02Å; K221-E253 HydrophobicContact CD-CG 4.27Å; K221-E253 WeakPolarHBondContact CD-OE1 3.09Å; K221-E253 WeakPolarHBondContact CE-OE1 3.12Å; K221-E253 HydrophobicContact CG-CG 3.82Å; K221-E253 IonicContact NZ-OE1 2.95Å; K221-E253 PolarHBondContact NZ-OE1 2.79Å
254V95.4Very high93.3Very high28 Ų2868 Ų6817%0.1736%0.359CS..EExtended strand (participates in β ladder)trans-152.3147-17566.50000111.7V220 F222 Y252 V256 F260V220-V254 PolarHBondContact N-O 2.5Å; V220-V254 PolarHBondContact O-N 2.95Å; F222-V254 HydrophobicContact CD2-CG1 4.38Å; F222-V254 HydrophobicContact CE2-CG1 3.83Å; Y252-V254 HydrophobicContact CD1-CG1 4.47Å; Y252-V254 HydrophobicContact CE1-CB 4.23Å; Y252-V254 HydrophobicContact CE1-CG1 3.79Å; Y252-V254 HydrophobicContact CE2-CB 3.86Å; Y252-V254 HydrophobicContact CE2-CG1 4.33Å; Y252-V254 HydrophobicContact CE2-CG2 4.43Å; Y252-V254 WeakPolarHBondContact OH-CG2 3.34Å; V254-V256 HydrophobicContact CG1-CG1 4.31Å; V254-F260 HydrophobicContact CG1-CE1 3.87Å; V254-F260 HydrophobicContact CG1-CZ 3.83Å; V254-F260 HydrophobicContact CG2-CZ 3.94Å
255I96.1Very high93.4Very high108 Ų10865.8 Ų65.855%0.55435%0.348SS*.EExtended strand (participates in β ladder)trans-78.3119.6169.3-63.8173.8000107.9G217 N218 L219G217-I255 WeakPolarHBondContact O-CG2 3.34Å; N218-I255 WeakPolarHBondContact O-CA 3.4Å; L219-I255 HydrophobicContact CD1-CG1 4.2Å
256V96Very high93.8Very high2 Ų257.2 Ų57.21%0.01231%0.313CS..PPolyproline II helixtrans-85.4136.6-174.1-65.20000112.7V214 G217 N218 V220 V254 F260 V284V214-V256 HydrophobicContact CG1-CG2 3.86Å; V214-V256 HydrophobicContact CG2-CG2 4.12Å; G217-V256 PolarHBondContact N-O 3.05Å; N218-V256 PolarHBondContact O-N 2.88Å; V220-V256 HydrophobicContact CB-CG1 3.85Å; V220-V256 HydrophobicContact CG2-CB 4.35Å; V220-V256 HydrophobicContact CG2-CG1 3.58Å; V220-V256 HydrophobicContact CG2-CG2 3.78Å; V254-V256 HydrophobicContact CG1-CG1 4.31Å; V256-F260 HydrophobicContact CB-CB 4.44Å; V256-F260 HydrophobicContact CB-CD2 4.02Å; V256-F260 HydrophobicContact CB-CE2 4.48Å; V256-F260 HydrophobicContact CB-CG 4.23Å; V256-F260 HydrophobicContact CG1-CB 4.41Å; V256-F260 HydrophobicContact CG1-CD1 4.21Å; V256-F260 HydrophobicContact CG1-CD2 4.13Å; V256-F260 HydrophobicContact CG1-CE1 4.49Å; V256-F260 HydrophobicContact CG1-CE2 4.42Å; V256-F260 HydrophobicContact CG1-CG 4.02Å; V256-V284 HydrophobicContact CB-CG2 4.06Å; V256-V284 HydrophobicContact CG2-CG1 4.14Å; V256-V284 HydrophobicContact CG2-CG2 3.97Å
257D94.6Very high94.2Very high61 Ų6147.9 Ų47.933%0.32627%0.27SS..PPolyproline II helixtrans-103.5173.4166.265.532.1000110.9K239 S259 F260K239-D257 IonicContact NZ-OD1 2.99Å; D257-S259 PolarHBondContact O-N 3.15Å; D257-S259 VanDerWaalsContact O-N 3.08Å; D257-S259 WeakPolarHBondContact OD1-CA 3.36Å; D257-S259 VanDerWaalsContact OD1-CB 3.29Å; D257-S259 WeakPolarHBondContact OD1-CB 3.4Å; D257-S259 PolarHBondContact OD1-N 2.75Å; D257-S259 PolarHBondContact OD1-OG 3.24Å; D257-F260 PolarHBondContact O-N 2.73Å; D257-F260 WeakPolarHBondContact OD1-CD2 3.43Å
258H92.6Very high94.5Very high70 Ų7048.6 Ų48.632%0.32427%0.271SS..THydrogen-bonded Turntrans-56.2-22.1176.871.5-77.4000114.6E216 F260 F261 F286E216-H258 IonicContact OE1-CG 2.76Å; E216-H258 PolarHBondContact OE1-N 2.92Å; E216-H258 IonicContact OE1-ND1 3.65Å; E216-H258 PolarHBondContact OE1-ND1 2.96Å; H258-F260 VanDerWaalsContact C-N 3.31Å; H258-F260 PolarHBondContact O-N 3.05Å; H258-F261 VanDerWaalsContact O-CB 3.28Å; H258-F261 WeakPolarHBondContact O-CB 3.28Å; H258-F261 PolarHBondContact O-N 3.07Å; H258-F286 HydrophobicContact CB-CB 4.05Å; H258-F286 HydrophobicContact CB-CD1 3.72Å; H258-F286 HydrophobicContact CB-CD2 3.85Å; H258-F286 HydrophobicContact CB-CE1 4.1Å; H258-F286 HydrophobicContact CB-CE2 4.2Å; H258-F286 HydrophobicContact CB-CG 3.6Å; H258-F286 HydrophobicContact CB-CZ 4.33Å
259S94.4Very high95.2Very high19 Ų1943.5 Ų43.513%0.13324%0.235CC..Hα-helixtrans-73.8-21.7-177.572.80000112.6K239 D257 F261 T262 E263K239-S259 PolarHBondContact NZ-OG 2.67Å; D257-S259 PolarHBondContact O-N 3.15Å; D257-S259 VanDerWaalsContact O-N 3.08Å; D257-S259 WeakPolarHBondContact OD1-CA 3.36Å; D257-S259 VanDerWaalsContact OD1-CB 3.29Å; D257-S259 WeakPolarHBondContact OD1-CB 3.4Å; D257-S259 PolarHBondContact OD1-N 2.75Å; D257-S259 PolarHBondContact OD1-OG 3.24Å; S259-F261 PolarHBondContact O-N 3.21Å; S259-T262 PolarHBondContact O-N 3.17Å; S259-T262 VanDerWaalsContact O-N 3.12Å; S259-T262 PolarHBondContact O-OG1 3.12Å; S259-E263 VanDerWaalsContact O-CB 3.31Å; S259-E263 WeakPolarHBondContact O-CB 3.41Å; S259-E263 PolarHBondContact O-N 2.86Å
260F94.9Very high95.4Very high7 Ų743.6 Ų43.63%0.03123%0.23CC..Hα-helixtrans-66.2-13.7171.7-72.7-97.8000113.9F222 K239 V254 V256 D257 H258 V265 V282 V284F222-F260 HydrophobicContact CZ-CD1 4.26Å; F222-F260 HydrophobicContact CZ-CE1 4.46Å; K239-F260 HydrophobicContact CD-CD1 4.29Å; K239-F260 HydrophobicContact CD-CE1 3.8Å; K239-F260 HydrophobicContact CD-CE2 4.25Å; K239-F260 HydrophobicContact CD-CZ 3.79Å; K239-F260 HydrophobicContact CG-CE1 4.37Å; V254-F260 HydrophobicContact CG1-CE1 3.87Å; V254-F260 HydrophobicContact CG1-CZ 3.83Å; V254-F260 HydrophobicContact CG2-CZ 3.94Å; V256-F260 HydrophobicContact CB-CB 4.44Å; V256-F260 HydrophobicContact CB-CD2 4.02Å; V256-F260 HydrophobicContact CB-CE2 4.48Å; V256-F260 HydrophobicContact CB-CG 4.23Å; V256-F260 HydrophobicContact CG1-CB 4.41Å; V256-F260 HydrophobicContact CG1-CD1 4.21Å; V256-F260 HydrophobicContact CG1-CD2 4.13Å; V256-F260 HydrophobicContact CG1-CE1 4.49Å; V256-F260 HydrophobicContact CG1-CE2 4.42Å; V256-F260 HydrophobicContact CG1-CG 4.02Å; D257-F260 PolarHBondContact O-N 2.73Å; D257-F260 WeakPolarHBondContact OD1-CD2 3.43Å; H258-F260 VanDerWaalsContact C-N 3.31Å; H258-F260 PolarHBondContact O-N 3.05Å; F260-V265 HydrophobicContact CD1-CG2 3.68Å; F260-V265 HydrophobicContact CE1-CG2 3.69Å; F260-V282 HydrophobicContact CB-CB 4.09Å; F260-V282 HydrophobicContact CB-CG2 4.05Å; F260-V282 HydrophobicContact CD1-CG2 4.29Å; F260-V282 PolarHBondContact O-N 2.85Å; F260-V284 HydrophobicContact CB-CG2 3.93Å
261F94.3Very high95.5Very high80 Ų8040.9 Ų40.935%0.35122%0.215SC..Hα-helixtrans-70.3-44.2169.7-176.4-106.9000111.1H258 S259 N281 V282 F286 N314H258-F261 VanDerWaalsContact O-CB 3.28Å; H258-F261 WeakPolarHBondContact O-CB 3.28Å; H258-F261 PolarHBondContact O-N 3.07Å; S259-F261 PolarHBondContact O-N 3.21Å; F261-N281 PolarHBondContact O-ND2 3.31Å; F261-V282 WeakPolarHBondContact CA-O 3.44Å; F261-F286 HydrophobicContact CB-CE1 4.06Å; F261-F286 HydrophobicContact CD1-CE1 4.14Å; F261-F286 HydrophobicContact CD1-CZ 4.41Å; F261-F286 HydrophobicContact CG-CE1 4.06Å; F261-N314 HydrophobicContact CD2-CB 4.44Å; F261-N314 HydrophobicContact CE2-CB 4.16Å; F261-N314 VanDerWaalsContact CE2-ND2 3.3Å; F261-N314 WeakPolarHBondContact CE2-ND2 3.21Å; F261-N314 HydrophobicContact CZ-CB 4.32Å
262T92Very high95.5Very high99 Ų9942.9 Ų42.961%0.60723%0.232SC*.Hα-helixtrans-92.5-36.9-17852.10000114S259 P264 N281S259-T262 PolarHBondContact O-N 3.17Å; S259-T262 VanDerWaalsContact O-N 3.12Å; S259-T262 PolarHBondContact O-OG1 3.12Å; T262-P264 WeakPolarHBondContact O-CD 3.37Å; T262-N281 PolarHBondContact O-ND2 2.82Å
263E95.2Very high95.4Very high70 Ų7044.1 Ų44.133%0.32724%0.239SC..SBendtrans-93.1109.9-179.2-61.9-176.2167.100109.9K239 S259K239-E263 WeakPolarHBondContact CE-OE2 3.35Å; K239-E263 HydrophobicContact CG-CB 4.33Å; K239-E263 IonicContact NZ-OE2 2.67Å; K239-E263 PolarHBondContact NZ-OE2 3.04Å; K239-E263 VanDerWaalsContact NZ-OE2 3.15Å; S259-E263 VanDerWaalsContact O-CB 3.31Å; S259-E263 WeakPolarHBondContact O-CB 3.41Å; S259-E263 PolarHBondContact O-N 2.86Å
264P95.8Very high95.4Very high43 Ų4340.5 Ų40.528%0.27923%0.23SC..  trans-69.1146.6177.229-34.4000111G240 T262G240-P264 PolarHBondContact N-O 2.88Å; T262-P264 WeakPolarHBondContact O-CD 3.37Å
265V96.5Very high95.4Very high0 Ų041.6 Ų41.60%024%0.239CC..EExtended strand (participates in β ladder)trans-90.4135.6165.8175.10000108.2F222 W237 A238 K239 Y252 F260 S279 R280F222-V265 HydrophobicContact CD1-CB 4.07Å; F222-V265 HydrophobicContact CD1-CG1 3.87Å; F222-V265 HydrophobicContact CE1-CB 3.49Å; F222-V265 VanDerWaalsContact CE1-CB 3.49Å; F222-V265 HydrophobicContact CE1-CG1 3.8Å; F222-V265 HydrophobicContact CE1-CG2 3.74Å; F222-V265 HydrophobicContact CE2-CG2 4.27Å; F222-V265 HydrophobicContact CG-CG1 4.38Å; F222-V265 HydrophobicContact CZ-CB 3.86Å; F222-V265 HydrophobicContact CZ-CG1 4.2Å; F222-V265 HydrophobicContact CZ-CG2 3.53Å; W237-V265 HydrophobicContact CE3-CG1 3.77Å; W237-V265 HydrophobicContact CZ3-CG1 3.92Å; A238-V265 CarbonylContact O-C 3.56Å; A238-V265 WeakPolarHBondContact O-CA 3.45Å; K239-V265 HydrophobicContact CB-CG2 4.36Å; K239-V265 HydrophobicContact CG-CG2 4.12Å; Y252-V265 HydrophobicContact CD1-CG1 4.1Å; Y252-V265 HydrophobicContact CE1-CG1 4.21Å; F260-V265 HydrophobicContact CD1-CG2 3.68Å; F260-V265 HydrophobicContact CE1-CG2 3.69Å; V265-S279 CarbonylContact O-C 3.58Å; V265-S279 VanDerWaalsContact O-CA 3.29Å; V265-S279 WeakPolarHBondContact O-CA 3.39Å; V265-R280 PolarHBondContact N-O 3.4Å; V265-R280 PolarHBondContact O-N 2.84Å
266S96.7Very high95.5Very high18 Ų1838.5 Ų38.513%0.12623%0.225CC..EExtended strand (participates in β ladder)trans-123.1141.3-179.956.70000112.1W237 A238 N277 V278W237-S266 WeakPolarHBondContact CA-O 3.46Å; A238-S266 PolarHBondContact N-O 3.43Å; A238-S266 PolarHBondContact O-N 2.76Å; A238-S266 PolarHBondContact O-OG 3.32Å; S266-N277 WeakPolarHBondContact CB-OD1 3.01Å; S266-V278 CarbonylContact C-O 3.58Å; S266-V278 VanDerWaalsContact CA-O 3.3Å; S266-V278 WeakPolarHBondContact CA-O 3.49Å
267C96.9Very high95.5Very high0 Ų042.9 Ų42.90%025%0.248CC..EExtended strand (participates in β ladder)trans-116.1116.4172179.50000108.9L207 C224 W237 N277 V278L207-C267 HydrophobicContact CD1-CB 4.38Å; C224-C267 HydrophobicContact CB-CB 3.75Å; C224-C267 WeakPolarHBondContact CB-SG 3.32Å; C224-C267 WeakPolarHBondContact SG-CB 3.23Å; C224-C267 CovalentContact SG-SG 2.03Å; C224-C267 PolarHBondContact SG-SG 3.5Å; W237-C267 HydrophobicContact CD2-CB 4.37Å; W237-C267 HydrophobicContact CE3-CB 4.06Å; W237-C267 HydrophobicContact CH2-CB 4.12Å; W237-C267 HydrophobicContact CZ2-CB 4.39Å; W237-C267 HydrophobicContact CZ3-CB 3.94Å; C267-N277 WeakPolarHBondContact O-CA 3.4Å; C267-N277 PolarHBondContact O-OD1 3.07Å; C267-V278 PolarHBondContact N-O 2.92Å; C267-V278 PolarHBondContact O-N 2.77Å
268E96.4Very high95.6Very high45 Ų4542.2 Ų42.221%0.2125%0.246CC..EExtended strand (participates in β ladder)trans-96.7125.4168.2173.5-176.6-149.800109.1Y235 R236 S275 T276 N277Y235-E268 CarbonylContact C-O 3.53Å; R236-E268 HydrophobicContact CB-CB 4.08Å; R236-E268 VanDerWaalsContact CD-OE2 3.32Å; R236-E268 WeakPolarHBondContact CD-OE2 3.24Å; R236-E268 IonicContact CZ-OE2 2.67Å; R236-E268 PolarHBondContact N-O 2.91Å; R236-E268 IonicContact NE-OE2 3.4Å; R236-E268 PolarHBondContact NE-OE2 3.31Å; R236-E268 PolarHBondContact O-N 3.49Å; E268-S275 VanDerWaalsContact OE1-CB 3.31Å; E268-S275 WeakPolarHBondContact OE1-CB 3.29Å; E268-S275 PolarHBondContact OE1-OG 3.1Å; E268-T276 WeakPolarHBondContact CA-O 3.34Å; E268-N277 HydrophobicContact CB-CB 4.2Å
269V97.6Very high95.8Very high0 Ų042.5 Ų42.50%026%0.256CS..EExtended strand (participates in β ladder)trans-117.8132.9178.5-170.30000109.3P203 V205 C224 A226 V232 Y235 S275 T276P203-V269 HydrophobicContact CB-CB 4.09Å; P203-V269 HydrophobicContact CB-CG1 3.98Å; P203-V269 HydrophobicContact CG-CG1 4.26Å; V205-V269 HydrophobicContact CB-CG2 4.41Å; V205-V269 HydrophobicContact CG1-CG2 3.93Å; V205-V269 HydrophobicContact CG2-CB 3.66Å; V205-V269 HydrophobicContact CG2-CG2 3.53Å; C224-V269 VanDerWaalsContact SG-CG2 3.51Å; A226-V269 HydrophobicContact CB-CB 4.34Å; A226-V269 HydrophobicContact CB-CG1 3.78Å; A226-V269 HydrophobicContact CB-CG2 4.23Å; V232-V269 HydrophobicContact CB-CG1 4.24Å; V232-V269 HydrophobicContact CG1-CG1 3.43Å; V232-V269 VanDerWaalsContact CG1-CG1 3.43Å; V232-V269 HydrophobicContact CG2-CG1 3.74Å; Y235-V269 HydrophobicContact CD1-CB 4.46Å; Y235-V269 HydrophobicContact CD1-CG1 4.19Å; Y235-V269 HydrophobicContact CD1-CG2 3.66Å; Y235-V269 HydrophobicContact CE1-CB 4.41Å; Y235-V269 HydrophobicContact CE1-CG1 3.87Å; Y235-V269 HydrophobicContact CE1-CG2 3.63Å; V269-S275 CarbonylContact O-C 3.52Å; V269-S275 WeakPolarHBondContact O-CA 3.41Å; V269-S275 WeakPolarHBondContact O-CB 3.1Å; V269-T276 PolarHBondContact N-O 2.92Å; V269-T276 PolarHBondContact O-N 2.87Å
270T96.7Very high95.8Very high30 Ų3046.9 Ų46.918%0.18427%0.27CS..EExtended strand (participates in β ladder)trans-118.5143.8-173.5-51.80000112.1S233 L234 S275S233-T270 PolarHBondContact N-O 2.86Å; S233-T270 PolarHBondContact OG-O 3.23Å; L234-T270 PolarHBondContact N-O 2.96Å; L234-T270 PolarHBondContact O-N 2.78Å; T270-S275 WeakPolarHBondContact OG1-CB 3.42Å
271N96.6Very high95.7Very high4 Ų450.2 Ų50.22%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-128.8168.6171.617513000107.7H201 P203 N229 P230 L273 G274H201-N271 PolarHBondContact O-ND2 2.81Å; P203-N271 HydrophobicContact CG-CB 3.75Å; N229-N271 PolarHBondContact O-ND2 3Å; P230-N271 WeakPolarHBondContact CB-OD1 3.19Å; P230-N271 WeakPolarHBondContact CD-ND2 3.31Å; P230-N271 WeakPolarHBondContact CD-OD1 3.31Å; P230-N271 PolarHBondContact O-ND2 3.48Å; P230-N271 VanDerWaalsContact O-ND2 3.08Å; P230-N271 PolarHBondContact O-OD1 2.78Å; P230-N271 VanDerWaalsContact O-OD1 3.07Å; N271-L273 PolarHBondContact O-N 2.94Å; N271-L273 VanDerWaalsContact O-N 3.09Å; N271-G274 PolarHBondContact N-O 2.03Å; N271-G274 PolarHBondContact O-N 3.44Å
272S95.8Very high95.8Very high91 Ų9146.5 Ų46.564%0.63627%0.272SS*.THydrogen-bonded Turntrans-53.5-23.4171.262.30000114.3P230P230-S272 WeakPolarHBondContact CG-OG 3.01Å
273L93.8Very high95.9Very high48 Ų4844.3 Ų44.325%0.25126%0.256SS..THydrogen-bonded Turntrans-82.1-17.1175-68-174.4000115Q200 N271Q200-L273 HydrophobicContact CB-CD1 3.8Å; N271-L273 PolarHBondContact O-N 2.94Å; N271-L273 VanDerWaalsContact O-N 3.09Å
274G95.1Very high96Very high27 Ų2741 Ų4128%0.27824%0.241SC..EExtended strand (participates in β ladder)trans138.5-172.9-173.800000113.1N271N271-G274 PolarHBondContact N-O 2.03Å; N271-G274 PolarHBondContact O-N 3.44Å
275S96.4Very high96Very high52 Ų5242 Ų4236%0.36424%0.239SC..EExtended strand (participates in β ladder)trans-112.9161.6179.867.80000113.5E268 V269 T270E268-S275 VanDerWaalsContact OE1-CB 3.31Å; E268-S275 WeakPolarHBondContact OE1-CB 3.29Å; E268-S275 PolarHBondContact OE1-OG 3.1Å; V269-S275 CarbonylContact O-C 3.52Å; V269-S275 WeakPolarHBondContact O-CA 3.41Å; V269-S275 WeakPolarHBondContact O-CB 3.1Å; T270-S275 WeakPolarHBondContact OG1-CB 3.42Å
276T97.4Very high96Very high42 Ų4242.4 Ų42.426%0.25824%0.241SC..EExtended strand (participates in β ladder)trans-139.3133.4173.3-65.80000108.5P203 V205 E268 V269P203-T276 VanDerWaalsContact O-CB 3.26Å; P203-T276 WeakPolarHBondContact O-CB 3.44Å; P203-T276 WeakPolarHBondContact O-CG2 3.33Å; P203-T276 PolarHBondContact O-OG1 3.43Å; V205-T276 HydrophobicContact CB-CG2 4.47Å; V205-T276 HydrophobicContact CG2-CG2 4Å; E268-T276 WeakPolarHBondContact CA-O 3.34Å; V269-T276 PolarHBondContact N-O 2.92Å; V269-T276 PolarHBondContact O-N 2.87Å
277N96.6Very high96Very high95 Ų9542.5 Ų42.551%0.50825%0.245SC..EExtended strand (participates in β ladder)trans-121.6128.8-172.2-176-5.6000110S266 C267 E268S266-N277 WeakPolarHBondContact CB-OD1 3.01Å; C267-N277 WeakPolarHBondContact O-CA 3.4Å; C267-N277 PolarHBondContact O-OD1 3.07Å; E268-N277 HydrophobicContact CB-CB 4.2Å
278V96.9Very high95.9Very high47 Ų4743.5 Ų43.529%0.28525%0.252SS..EExtended strand (participates in β ladder)trans-126.5135176.5174.80000108.9V205 L207 S266 C267V205-V278 HydrophobicContact CB-CG2 3.83Å; V205-V278 HydrophobicContact CG1-CB 4.12Å; V205-V278 HydrophobicContact CG1-CG2 3.99Å; L207-V278 HydrophobicContact CB-CG1 3.92Å; S266-V278 CarbonylContact C-O 3.58Å; S266-V278 VanDerWaalsContact CA-O 3.3Å; S266-V278 WeakPolarHBondContact CA-O 3.49Å; C267-V278 PolarHBondContact N-O 2.92Å; C267-V278 PolarHBondContact O-N 2.77Å
279S96.4Very high95.8Very high76 Ų7646.1 Ų46.153%0.53126%0.26SS..EExtended strand (participates in β ladder)trans-121151.2-179.763.50000112.6V265V265-S279 CarbonylContact O-C 3.58Å; V265-S279 VanDerWaalsContact O-CA 3.29Å; V265-S279 WeakPolarHBondContact O-CA 3.39Å
280R94.3Very high95.7Very high111 Ų11149.3 Ų49.342%0.41928%0.275SS..EExtended strand (participates in β ladder)trans-152.4136.3-178.7-168159-177.4156.46.8111.8L207 V209 V265L207-R280 HydrophobicContact CD2-CB 3.87Å; L207-R280 HydrophobicContact CG-CB 4.3Å; L207-R280 WeakPolarHBondContact O-CD 3.27Å; L207-R280 PolarHBondContact O-NH1 2.91Å; V209-R280 HydrophobicContact CG2-CG 4.27Å; V265-R280 PolarHBondContact N-O 3.4Å; V265-R280 PolarHBondContact O-N 2.84Å
281N92.5Very high95.5Very high76 Ų7651.1 Ų51.141%0.40629%0.294SS..  trans-81.2159.6170.5-66.375.5000111F261 T262F261-N281 PolarHBondContact O-ND2 3.31Å; T262-N281 PolarHBondContact O-ND2 2.82Å
282V95.4Very high95.4Very high2 Ų252.4 Ų52.41%0.01230%0.304CS..  trans-106.1133173.6-171.10000109.9V209 V214 F222 F260 F261 V284V209-V282 HydrophobicContact CG1-CG2 4.27Å; V214-V282 HydrophobicContact CG1-CG1 3.69Å; F222-V282 HydrophobicContact CE1-CG2 3.87Å; F222-V282 HydrophobicContact CE2-CG2 4.43Å; F222-V282 HydrophobicContact CZ-CG2 3.4Å; F260-V282 HydrophobicContact CB-CB 4.09Å; F260-V282 HydrophobicContact CB-CG2 4.05Å; F260-V282 HydrophobicContact CD1-CG2 4.29Å; F260-V282 PolarHBondContact O-N 2.85Å; F261-V282 WeakPolarHBondContact CA-O 3.44Å; V282-V284 HydrophobicContact CB-CG2 3.73Å; V282-V284 HydrophobicContact CG1-CG2 3.58Å; V282-V284 PolarHBondContact O-N 2.93Å
283D95.4Very high95.3Very high54 Ų5453.6 Ų53.629%0.28930%0.3SS..  trans-76.478.6169.8-168.916.9000110.1P213 V214 N314P213-D283 WeakPolarHBondContact CA-O 3.29Å; P213-D283 HydrophobicContact CB-CB 4.37Å; V214-D283 PolarHBondContact N-O 3.46Å; D283-N314 PolarHBondContact OD1-ND2 2.82Å
284V96.5Very high95.3Very high0 Ų051.7 Ų51.70%029%0.291CS..EExtended strand (participates in β ladder)trans-89124.4178.7-172.20000110V214 E216 V256 F260 V282 F286 N314V214-V284 HydrophobicContact CG1-CG2 4.27Å; V214-V284 CarbonylContact O-C 3.58Å; V214-V284 VanDerWaalsContact O-CA 3.3Å; V214-V284 WeakPolarHBondContact O-CA 3.36Å; E216-V284 HydrophobicContact CB-CG1 4.07Å; V256-V284 HydrophobicContact CB-CG2 4.06Å; V256-V284 HydrophobicContact CG2-CG1 4.14Å; V256-V284 HydrophobicContact CG2-CG2 3.97Å; F260-V284 HydrophobicContact CB-CG2 3.93Å; V282-V284 HydrophobicContact CB-CG2 3.73Å; V282-V284 HydrophobicContact CG1-CG2 3.58Å; V282-V284 PolarHBondContact O-N 2.93Å; V284-F286 WeakPolarHBondContact O-CD1 3.4Å; V284-N314 WeakPolarHBondContact O-CB 3.44Å; V284-N314 PolarHBondContact O-ND2 3.3Å
285Y96.6Very high95.3Very high63 Ų6358 Ų5825%0.24731%0.313CS..EExtended strand (participates in β ladder)trans-88.9121.9174.9-73.79000109.9P213 V214 E216 N314 P315 V358P213-Y285 HydrophobicContact CB-CD1 4.09Å; P213-Y285 HydrophobicContact CB-CE1 3.52Å; P213-Y285 HydrophobicContact CB-CE2 4.06Å; P213-Y285 VanDerWaalsContact CB-CZ 3.5Å; P213-Y285 HydrophobicContact CG-CE1 4.29Å; P213-Y285 HydrophobicContact CG-CE2 4.11Å; V214-Y285 PolarHBondContact O-N 2.71Å; E216-Y285 PolarHBondContact N-O 2.6Å; Y285-N314 CarbonylContact C-O 3.57Å; Y285-N314 WeakPolarHBondContact CA-O 3.43Å; Y285-P315 HydrophobicContact CD1-CG 4.12Å; Y285-P315 HydrophobicContact CD2-CG 4Å; Y285-P315 HydrophobicContact CE1-CG 3.85Å; Y285-P315 HydrophobicContact CE2-CG 3.73Å; Y285-P315 HydrophobicContact CG-CG 4.2Å; Y285-V358 HydrophobicContact CD2-CG2 4.46Å
286F96.2Very high95.3Very high10 Ų1059.1 Ų59.14%0.04432%0.321CS..EExtended strand (participates in β ladder)trans-142.5147.6-178.361.8-87.1000111.2E216 H258 F261 V284 R289 G313 N314E216-F286 HydrophobicContact CB-CB 4.12Å; E216-F286 WeakPolarHBondContact OE2-CB 2.96Å; H258-F286 HydrophobicContact CB-CB 4.05Å; H258-F286 HydrophobicContact CB-CD1 3.72Å; H258-F286 HydrophobicContact CB-CD2 3.85Å; H258-F286 HydrophobicContact CB-CE1 4.1Å; H258-F286 HydrophobicContact CB-CE2 4.2Å; H258-F286 HydrophobicContact CB-CG 3.6Å; H258-F286 HydrophobicContact CB-CZ 4.33Å; F261-F286 HydrophobicContact CB-CE1 4.06Å; F261-F286 HydrophobicContact CD1-CE1 4.14Å; F261-F286 HydrophobicContact CD1-CZ 4.41Å; F261-F286 HydrophobicContact CG-CE1 4.06Å; V284-F286 WeakPolarHBondContact O-CD1 3.4Å; F286-R289 HydrophobicContact CD2-CG 4.44Å; F286-G313 VanDerWaalsContact CE2-CA 3.45Å; F286-N314 HydrophobicContact CD1-CB 3.97Å; F286-N314 HydrophobicContact CE1-CB 3.61Å; F286-N314 HydrophobicContact CZ-CB 4.21Å; F286-N314 PolarHBondContact N-O 2.79Å; F286-N314 PolarHBondContact O-N 3.03Å; F286-N314 VanDerWaalsContact O-O 3.12Å
287G96.1Very high95.2Very high20 Ų2059.5 Ų59.521%0.20632%0.321CS..EExtended strand (participates in β ladder)trans-70.6174.4-178.500000113.6R289G287-R289 PolarHBondContact O-N 2.89Å
288P96.3Very high95Very high21 Ų2160.9 Ų60.914%0.13632%0.324CS..EExtended strand (participates in β ladder)trans-57.6126.4-178.5-23.432.5000113.6W311 T312 A353 V355P288-W311 HydrophobicContact CB-CD2 4.19Å; P288-W311 HydrophobicContact CB-CE3 3.5Å; P288-W311 VanDerWaalsContact CB-CE3 3.5Å; P288-W311 HydrophobicContact CB-CZ3 3.99Å; P288-T312 CarbonylContact C-O 3.45Å; P288-T312 WeakPolarHBondContact CA-O 3.4Å; P288-A353 HydrophobicContact CB-CB 3.75Å; P288-A353 HydrophobicContact CG-CB 3.95Å; P288-V355 HydrophobicContact CG-CG2 3.94Å
289R94Very high94.9Very high99 Ų9959.5 Ų59.537%0.37432%0.316SS..EExtended strand (participates in β ladder)trans-119.6138.8171.4-65.1175.8178.3-83.8-0.4108.8E216 F286 G287 A291 W311 T312E216-R289 IonicContact OE1-CZ 3.88Å; E216-R289 IonicContact OE1-NH2 3.74Å; E216-R289 PolarHBondContact OE1-NH2 2.83Å; E216-R289 IonicContact OE2-CZ 2.73Å; E216-R289 IonicContact OE2-NE 2.77Å; E216-R289 IonicContact OE2-NH2 3.59Å; E216-R289 PolarHBondContact OE2-NH2 3.42Å; F286-R289 HydrophobicContact CD2-CG 4.44Å; G287-R289 PolarHBondContact O-N 2.89Å; R289-A291 PolarHBondContact O-N 3.47Å; R289-W311 CarbonylContact O-C 3.59Å; R289-W311 VanDerWaalsContact O-CA 3.27Å; R289-W311 WeakPolarHBondContact O-CA 3.25Å; R289-T312 PolarHBondContact N-O 3.03Å; R289-T312 PolarHBondContact O-N 3.2Å; R289-T312 PolarHBondContact O-OG1 3.46Å
290M93.9Very high94.7Very high67 Ų6759.5 Ų59.533%0.3331%0.31SS..EExtended strand (participates in β ladder)trans-76.1129180-76-153.8-65.400111.6E293 W311 K363M290-E293 HydrophobicContact CE-CB 3.79Å; M290-E293 HydrophobicContact CE-CG 3.67Å; M290-E293 HydrophobicContact SD-CB 4.28Å; M290-E293 HydrophobicContact SD-CG 4.48Å; M290-W311 HydrophobicContact CB-CE3 4.46Å; M290-W311 HydrophobicContact CG-CD2 3.82Å; M290-W311 HydrophobicContact CG-CE3 3.59Å; M290-W311 HydrophobicContact CG-CH2 3.54Å; M290-W311 HydrophobicContact CG-CZ2 3.76Å; M290-W311 HydrophobicContact CG-CZ3 3.46Å; M290-W311 VanDerWaalsContact CG-CZ3 3.46Å; M290-W311 HydrophobicContact SD-CH2 4.11Å; M290-W311 HydrophobicContact SD-CZ2 3.98Å; M290-K363 HydrophobicContact CE-CB 4.3Å; M290-K363 HydrophobicContact CE-CD 3.91Å; M290-K363 HydrophobicContact CE-CG 3.92Å; M290-K363 HydrophobicContact SD-CB 3.91Å; M290-K363 HydrophobicContact SD-CG 3.99Å
291A93.5Very high94.6Very high69 Ų6958.6 Ų58.657%0.5731%0.313SS*.EExtended strand (participates in β ladder)trans-95.1-31.616900000112R289 A310 T312R289-A291 PolarHBondContact O-N 3.47Å; A291-A310 HydrophobicContact CB-CB 4.17Å; A291-A310 PolarHBondContact N-O 3.49Å; A291-T312 HydrophobicContact CB-CG2 4.15Å
292A93.4Very high94.5Very high30 Ų3056.7 Ų56.725%0.24831%0.311CS..EExtended strand (participates in β ladder)trans-141.4124.4170.700000109.6A310A292-A310 HydrophobicContact CB-CB 3.81Å; A292-A310 PolarHBondContact N-O 3.22Å; A292-A310 VanDerWaalsContact N-O 3.11Å; A292-A310 PolarHBondContact O-N 3.17Å
293E93.8Very high94.5Very high116 Ų11658.6 Ų58.654%0.54233%0.325SS..PPolyproline II helixtrans-86.2129-178.7176.1162.9-15400111.3M290 Q295 K363M290-E293 HydrophobicContact CE-CB 3.79Å; M290-E293 HydrophobicContact CE-CG 3.67Å; M290-E293 HydrophobicContact SD-CB 4.28Å; M290-E293 HydrophobicContact SD-CG 4.48Å; E293-Q295 PolarHBondContact O-N 3.07Å; E293-K363 WeakPolarHBondContact OE1-CE 3.2Å; E293-K363 IonicContact OE1-NZ 3.75Å; E293-K363 PolarHBondContact OE1-NZ 2.83Å
294P94.8Very high94.5Very high9 Ų960.6 Ų60.66%0.05833%0.332CS..PPolyproline II helixtrans-68.8130.3178.627.6-35000112.1N308 C309 W321 K363 V365P294-N308 WeakPolarHBondContact CA-O 3.26Å; P294-N308 WeakPolarHBondContact CB-O 3.48Å; P294-C309 HydrophobicContact CB-CB 4.19Å; P294-C309 HydrophobicContact CG-CB 4.15Å; P294-W321 HydrophobicContact CB-CH2 4.06Å; P294-K363 HydrophobicContact CG-CB 4.26Å; P294-K363 HydrophobicContact CG-CG 3.76Å; P294-V365 HydrophobicContact CB-CB 4.08Å; P294-V365 HydrophobicContact CB-CG1 4.29Å; P294-V365 HydrophobicContact CB-CG2 4.13Å; P294-V365 HydrophobicContact CG-CB 4.31Å
295Q95.1Very high94.4Very high158 Ų15860.6 Ų60.674%0.73833%0.333SS*.PPolyproline II helixtrans-95.6143177.7-63-174.9-4.500111E293 F307 V365E293-Q295 PolarHBondContact O-N 3.07Å; Q295-F307 WeakPolarHBondContact O-CD1 3.31Å; Q295-F307 WeakPolarHBondContact O-CE1 3.35Å; Q295-V365 WeakPolarHBondContact O-CG2 3.49Å
296S95.8Very high94.4Very high77 Ų7761.5 Ų61.554%0.53834%0.341SS..PPolyproline II helixtrans-69.5139.1177-63.70000110.4S366S296-S366 CarbonylContact C-O 3.55Å; S296-S366 VanDerWaalsContact CA-O 3.28Å; S296-S366 WeakPolarHBondContact CA-O 3.3Å; S296-S366 WeakPolarHBondContact CB-O 3.12Å; S296-S366 PolarHBondContact OG-N 3.08Å; S296-S366 VanDerWaalsContact OG-N 3.09Å
297L95.3Very high94.5Very high49 Ų4961.1 Ų61.126%0.25734%0.339SS..EExtended strand (participates in β ladder)trans-115.2142.3-172.6-64.5178000110.8V299 A305 I306 F307 S366 L367 T368L297-V299 HydrophobicContact CB-CG1 4.23Å; L297-A305 HydrophobicContact CD1-CB 4.36Å; L297-I306 WeakPolarHBondContact CD1-O 3.32Å; L297-F307 HydrophobicContact CB-CE1 3.88Å; L297-F307 HydrophobicContact CB-CZ 4.12Å; L297-F307 HydrophobicContact CD1-CD1 3.69Å; L297-F307 HydrophobicContact CD1-CD2 4.47Å; L297-F307 HydrophobicContact CD1-CE1 3.63Å; L297-F307 HydrophobicContact CD1-CE2 4.43Å; L297-F307 HydrophobicContact CD1-CG 4.13Å; L297-F307 HydrophobicContact CD1-CZ 4.02Å; L297-F307 HydrophobicContact CG-CD1 3.91Å; L297-F307 HydrophobicContact CG-CE1 3.54Å; L297-F307 HydrophobicContact CG-CZ 4.17Å; L297-S366 PolarHBondContact N-O 3.38Å; L297-L367 HydrophobicContact CB-CD1 4.08Å; L297-T368 PolarHBondContact O-N 2.84Å
298Q93.3Very high94.5Very high124 Ų12464 Ų6458%0.57935%0.35SS*.EExtended strand (participates in β ladder)trans-119119.8167.8-175.3174.3-4.600107.6T368 N370Q298-T368 VanDerWaalsContact CA-O 3.32Å; Q298-T368 WeakPolarHBondContact CA-O 3.39Å; Q298-T368 HydrophobicContact CG-CG2 4.1Å; Q298-N370 WeakPolarHBondContact CG-OD1 3.34Å; Q298-N370 PolarHBondContact NE2-OD1 3.46Å
299V94.4Very high94.4Very high19 Ų1963 Ų6312%0.11534%0.343CS..EExtended strand (participates in β ladder)trans-135.4155.1-171.2-55.70000111L297 A305 V341 L367 T368 V369 N370L297-V299 HydrophobicContact CB-CG1 4.23Å; V299-A305 HydrophobicContact CG1-CB 4.02Å; V299-A305 HydrophobicContact CG2-CB 4.25Å; V299-V341 HydrophobicContact CG2-CB 4.3Å; V299-V341 HydrophobicContact CG2-CG1 3.91Å; V299-V341 HydrophobicContact CG2-CG2 4.4Å; V299-L367 HydrophobicContact CG1-CD1 4.36Å; V299-L367 HydrophobicContact CG2-CD1 3.86Å; V299-T368 PolarHBondContact N-O 2.82Å; V299-V369 HydrophobicContact CG2-CG2 4.49Å; V299-V369 CarbonylContact O-C 3.56Å; V299-V369 WeakPolarHBondContact O-CA 3Å; V299-N370 PolarHBondContact O-N 2.02Å
300D93.3Very high94.5Very high76 Ų7659 Ų5941%0.40633%0.331SS..EExtended strand (participates in β ladder)trans-84.8148.7179.8-61.5-19.5000111.9G302 S303 N370 F458D300-G302 PolarHBondContact O-N 2.87Å; D300-S303 PolarHBondContact N-OG 2.88Å; D300-S303 VanDerWaalsContact O-CB 3.25Å; D300-S303 WeakPolarHBondContact O-CB 3.41Å; D300-S303 PolarHBondContact O-N 2.85Å; D300-S303 PolarHBondContact O-OG 3.22Å; D300-N370 WeakPolarHBondContact OD1-CB 3.38Å; D300-N370 PolarHBondContact OD1-ND2 2.97Å; D300-F458 HydrophobicContact CB-CE1 4.01Å; D300-F458 HydrophobicContact CB-CZ 4.41Å; D300-F458 WeakPolarHBondContact OD1-CZ 3.3Å
301L91.4Very high94.6Very high92 Ų9257.2 Ų57.248%0.48232%0.321SS..THydrogen-bonded Turntrans-55.6129.2177.5-170.2153.2000111S303 V369 N370L301-S303 VanDerWaalsContact C-N 3.33Å; L301-V369 HydrophobicContact CB-CG1 4.37Å; L301-N370 WeakPolarHBondContact CB-O 3.42Å; L301-N370 PolarHBondContact N-O 3.29Å
302G90.9Very high94.7Very high35 Ų3557.2 Ų57.236%0.36131%0.314SS..THydrogen-bonded Turntrans85.3-6.2-176.400000115.4D300 N340 V341D300-G302 PolarHBondContact O-N 2.87Å; G302-N340 WeakPolarHBondContact CA-OD1 3.43Å; G302-V341 PolarHBondContact N-O 2.62Å
303S94Very high94.8Very high43 Ų4356.6 Ų56.630%0.30131%0.311SS..SBendtrans-78.9-174.117473.10000112.7D300 L301 N340 V341D300-S303 PolarHBondContact N-OG 2.88Å; D300-S303 VanDerWaalsContact O-CB 3.25Å; D300-S303 WeakPolarHBondContact O-CB 3.41Å; D300-S303 PolarHBondContact O-N 2.85Å; D300-S303 PolarHBondContact O-OG 3.22Å; L301-S303 VanDerWaalsContact C-N 3.33Å; S303-N340 WeakPolarHBondContact O-CA 3.42Å; S303-N340 PolarHBondContact O-N 2.71Å; S303-N340 VanDerWaalsContact O-N 3.11Å; S303-V341 WeakPolarHBondContact O-CG2 3.27Å; S303-V341 PolarHBondContact O-N 2.88Å
304E95.5Very high94.9Very high95 Ų9552 Ų5244%0.44429%0.29SS..EExtended strand (participates in β ladder)trans-110.7130.1177.8-175.6174.9-127.400109.9I306 T337 L338 K339E304-I306 HydrophobicContact CG-CD1 4.39Å; E304-I306 HydrophobicContact CG-CG1 4.06Å; E304-T337 HydrophobicContact CG-CG2 3.77Å; E304-T337 WeakPolarHBondContact OE1-CG2 3.49Å; E304-L338 CarbonylContact C-O 3.54Å; E304-L338 WeakPolarHBondContact CA-O 3.35Å; E304-K339 HydrophobicContact CG-CG 4.3Å; E304-K339 WeakPolarHBondContact OE1-CE 3.33Å; E304-K339 WeakPolarHBondContact OE1-CG 3.38Å
305A96Very high94.9Very high1 Ų153.1 Ų53.11%0.00830%0.297CS..EExtended strand (participates in β ladder)trans-107.3129.4173.400000110.3L297 V299 T337 L338 V341 L367L297-A305 HydrophobicContact CD1-CB 4.36Å; V299-A305 HydrophobicContact CG1-CB 4.02Å; V299-A305 HydrophobicContact CG2-CB 4.25Å; A305-T337 CarbonylContact O-C 3.6Å; A305-T337 WeakPolarHBondContact O-CA 3.17Å; A305-L338 HydrophobicContact CB-CB 4.39Å; A305-L338 PolarHBondContact N-O 2.83Å; A305-L338 PolarHBondContact O-N 2.72Å; A305-V341 HydrophobicContact CB-CG2 3.93Å; A305-L367 HydrophobicContact CB-CD1 3.74Å; A305-L367 HydrophobicContact CB-CD2 4.46Å
306I96.7Very high94.8Very high82 Ų8250.5 Ų50.542%0.42130%0.296SS..EExtended strand (participates in β ladder)trans-125.9102.2-177.3-53.9176.4000109.5L297 E304 L335 L336 T337L297-I306 WeakPolarHBondContact CD1-O 3.32Å; E304-I306 HydrophobicContact CG-CD1 4.39Å; E304-I306 HydrophobicContact CG-CG1 4.06Å; I306-L335 HydrophobicContact CG2-CD2 4.3Å; I306-L336 WeakPolarHBondContact CA-O 3.42Å; I306-T337 HydrophobicContact CG1-CG2 4.17Å
307F96.7Very high94.8Very high2 Ų248.7 Ų48.71%0.00928%0.281CS..EExtended strand (participates in β ladder)trans-85.3139.3170.8-64.6-74.6000110.7Q295 L297 W321 L335 L336 L338 Y349 V365 L367Q295-F307 WeakPolarHBondContact O-CD1 3.31Å; Q295-F307 WeakPolarHBondContact O-CE1 3.35Å; L297-F307 HydrophobicContact CB-CE1 3.88Å; L297-F307 HydrophobicContact CB-CZ 4.12Å; L297-F307 HydrophobicContact CD1-CD1 3.69Å; L297-F307 HydrophobicContact CD1-CD2 4.47Å; L297-F307 HydrophobicContact CD1-CE1 3.63Å; L297-F307 HydrophobicContact CD1-CE2 4.43Å; L297-F307 HydrophobicContact CD1-CG 4.13Å; L297-F307 HydrophobicContact CD1-CZ 4.02Å; L297-F307 HydrophobicContact CG-CD1 3.91Å; L297-F307 HydrophobicContact CG-CE1 3.54Å; L297-F307 HydrophobicContact CG-CZ 4.17Å; F307-W321 HydrophobicContact CB-CH2 3.4Å; F307-W321 VanDerWaalsContact CB-CH2 3.4Å; F307-W321 HydrophobicContact CB-CZ2 3.83Å; F307-W321 HydrophobicContact CB-CZ3 4.06Å; F307-W321 HydrophobicContact CG-CH2 4.2Å; F307-W321 HydrophobicContact CG-CZ3 4.46Å; F307-L335 VanDerWaalsContact O-CA 3.32Å; F307-L335 WeakPolarHBondContact O-CA 3.36Å; F307-L336 HydrophobicContact CB-CB 4.35Å; F307-L336 HydrophobicContact CD2-CD2 4.14Å; F307-L336 PolarHBondContact N-O 3.38Å; F307-L336 PolarHBondContact O-N 2.87Å; F307-L338 HydrophobicContact CE2-CD1 4.49Å; F307-Y349 HydrophobicContact CE2-CD2 4.21Å; F307-Y349 HydrophobicContact CE2-CG 4.46Å; F307-V365 HydrophobicContact CD1-CB 4.42Å; F307-V365 HydrophobicContact CD1-CG1 3.78Å; F307-V365 HydrophobicContact CD1-CG2 3.72Å; F307-V365 HydrophobicContact CE1-CB 4.38Å; F307-V365 HydrophobicContact CE1-CG1 3.88Å; F307-V365 HydrophobicContact CE1-CG2 3.56Å; F307-V365 HydrophobicContact CG-CG1 4.2Å; F307-V365 HydrophobicContact CZ-CG1 4.37Å; F307-L367 HydrophobicContact CE2-CB 4.17Å; F307-L367 HydrophobicContact CE2-CD1 4.21Å; F307-L367 HydrophobicContact CZ-CB 3.79Å; F307-L367 HydrophobicContact CZ-CD1 3.89Å; F307-L367 HydrophobicContact CZ-CG 4.37Å
308N96Very high94.8Very high79 Ų7950.4 Ų50.442%0.42229%0.293SS..EExtended strand (participates in β ladder)trans-116.5122.8174.7179.419.4000110.3P294 L335P294-N308 WeakPolarHBondContact CA-O 3.26Å; P294-N308 WeakPolarHBondContact CB-O 3.48Å; N308-L335 HydrophobicContact CB-CD2 3.71Å
309C95.7Very high95Very high0 Ų044.9 Ų44.90%027%0.268CS..  trans-140.4110.3179.7179.40000108.8P294 W311 W321 N334 C351P294-C309 HydrophobicContact CB-CB 4.19Å; P294-C309 HydrophobicContact CG-CB 4.15Å; C309-W311 PolarHBondContact SG-NE1 2.82Å; C309-W321 HydrophobicContact CB-CH2 3.73Å; C309-W321 HydrophobicContact CB-CZ2 3.22Å; C309-N334 PolarHBondContact N-O 2.93Å; C309-N334 VanDerWaalsContact O-CA 3.24Å; C309-N334 WeakPolarHBondContact O-CA 3.29Å; C309-N334 WeakPolarHBondContact O-CB 3.4Å; C309-C351 HydrophobicContact CB-CB 3.71Å; C309-C351 WeakPolarHBondContact CB-SG 3.31Å; C309-C351 WeakPolarHBondContact SG-CB 3.45Å; C309-C351 CovalentContact SG-SG 2.03Å; C309-C351 PolarHBondContact SG-SG 3.15Å
310A95.4Very high95Very high15 Ų1545 Ų4512%0.12427%0.268CS..EExtended strand (participates in β ladder)trans-116133.8-179.400000110.3A291 A292A291-A310 HydrophobicContact CB-CB 4.17Å; A291-A310 PolarHBondContact N-O 3.49Å; A292-A310 HydrophobicContact CB-CB 3.81Å; A292-A310 PolarHBondContact N-O 3.22Å; A292-A310 VanDerWaalsContact N-O 3.11Å; A292-A310 PolarHBondContact O-N 3.17Å
311W96.2Very high95.2Very high30 Ų3041.4 Ų41.411%0.11425%0.249CC..EExtended strand (participates in β ladder)trans-120.6150176.8-60.784000110.7P288 R289 M290 C309 L317 C351 A353 K363P288-W311 HydrophobicContact CB-CD2 4.19Å; P288-W311 HydrophobicContact CB-CE3 3.5Å; P288-W311 VanDerWaalsContact CB-CE3 3.5Å; P288-W311 HydrophobicContact CB-CZ3 3.99Å; R289-W311 CarbonylContact O-C 3.59Å; R289-W311 VanDerWaalsContact O-CA 3.27Å; R289-W311 WeakPolarHBondContact O-CA 3.25Å; M290-W311 HydrophobicContact CB-CE3 4.46Å; M290-W311 HydrophobicContact CG-CD2 3.82Å; M290-W311 HydrophobicContact CG-CE3 3.59Å; M290-W311 HydrophobicContact CG-CH2 3.54Å; M290-W311 HydrophobicContact CG-CZ2 3.76Å; M290-W311 HydrophobicContact CG-CZ3 3.46Å; M290-W311 VanDerWaalsContact CG-CZ3 3.46Å; M290-W311 HydrophobicContact SD-CH2 4.11Å; M290-W311 HydrophobicContact SD-CZ2 3.98Å; C309-W311 PolarHBondContact SG-NE1 2.82Å; W311-L317 HydrophobicContact CB-CD1 4.26Å; W311-L317 HydrophobicContact CB-CD2 3.58Å; W311-C351 PolarHBondContact NE1-SG 2.98Å; W311-A353 HydrophobicContact CB-CB 3.88Å; W311-A353 HydrophobicContact CD2-CB 3.59Å; W311-A353 HydrophobicContact CE3-CB 4.22Å; W311-A353 HydrophobicContact CG-CB 3.42Å; W311-A353 VanDerWaalsContact CG-CB 3.42Å; W311-K363 HydrophobicContact CH2-CB 4.5Å; W311-K363 HydrophobicContact CZ2-CB 4.1Å
312T95.1Very high95.5Very high69 Ų6938.1 Ų38.142%0.42323%0.231SC..EExtended strand (participates in β ladder)trans-112.8154.8163.752.70000110.1P288 R289 A291 L317P288-T312 CarbonylContact C-O 3.45Å; P288-T312 WeakPolarHBondContact CA-O 3.4Å; R289-T312 PolarHBondContact N-O 3.03Å; R289-T312 PolarHBondContact O-N 3.2Å; R289-T312 PolarHBondContact O-OG1 3.46Å; A291-T312 HydrophobicContact CB-CG2 4.15Å; T312-L317 VanDerWaalsContact C-CD2 3.43Å
313G95.3Very high95.6Very high18 Ų1839 Ų3919%0.18623%0.225CC..EExtended strand (participates in β ladder)trans178.2155.4-17800000109.8F286 P315F286-G313 VanDerWaalsContact CE2-CA 3.45Å; G313-P315 CarbonylContact C-O 3.58Å
314N96Very high95.6Very high19 Ų1944.4 Ų44.410%0.10224%0.239CC..EExtended strand (participates in β ladder)trans-139.8129.2174.7-17438.7000108.7F261 D283 V284 Y285 F286F261-N314 HydrophobicContact CD2-CB 4.44Å; F261-N314 HydrophobicContact CE2-CB 4.16Å; F261-N314 VanDerWaalsContact CE2-ND2 3.3Å; F261-N314 WeakPolarHBondContact CE2-ND2 3.21Å; F261-N314 HydrophobicContact CZ-CB 4.32Å; D283-N314 PolarHBondContact OD1-ND2 2.82Å; V284-N314 WeakPolarHBondContact O-CB 3.44Å; V284-N314 PolarHBondContact O-ND2 3.3Å; Y285-N314 CarbonylContact C-O 3.57Å; Y285-N314 WeakPolarHBondContact CA-O 3.43Å; F286-N314 HydrophobicContact CD1-CB 3.97Å; F286-N314 HydrophobicContact CE1-CB 3.61Å; F286-N314 HydrophobicContact CZ-CB 4.21Å; F286-N314 PolarHBondContact N-O 2.79Å; F286-N314 PolarHBondContact O-N 3.03Å; F286-N314 VanDerWaalsContact O-O 3.12Å
315P95.2Very high95.2Very high32 Ų3244.1 Ų44.121%0.20826%0.262CS..SBendcis-57.8172.5-4.8-25.637.4000114.7Y285 G313 L317 V355Y285-P315 HydrophobicContact CD1-CG 4.12Å; Y285-P315 HydrophobicContact CD2-CG 4Å; Y285-P315 HydrophobicContact CE1-CG 3.85Å; Y285-P315 HydrophobicContact CE2-CG 3.73Å; Y285-P315 HydrophobicContact CG-CG 4.2Å; G313-P315 CarbonylContact C-O 3.58Å; P315-L317 PolarHBondContact O-N 3.5Å; P315-V355 WeakPolarHBondContact O-CG1 3.12Å
316S93.3Very high94.8Very high104 Ų10446.3 Ų46.373%0.72728%0.277SS*.PPolyproline II helixtrans-47.9126.5179.5-55.10000112.6
317L95.8Very high94.3Very high39 Ų3946 Ų4620%0.20429%0.294CS..PPolyproline II helixtrans-86.9161.5-17960.580.8000113W311 T312 P315 I319 A353 V354 V355W311-L317 HydrophobicContact CB-CD1 4.26Å; W311-L317 HydrophobicContact CB-CD2 3.58Å; T312-L317 VanDerWaalsContact C-CD2 3.43Å; P315-L317 PolarHBondContact O-N 3.5Å; L317-I319 HydrophobicContact CD1-CD1 3.95Å; L317-I319 HydrophobicContact CD1-CG1 3.55Å; L317-A353 HydrophobicContact CD1-CB 4.38Å; L317-A353 HydrophobicContact CD2-CB 4.48Å; L317-V354 CarbonylContact C-O 3.6Å; L317-V354 VanDerWaalsContact CA-O 3.25Å; L317-V354 WeakPolarHBondContact CA-O 3.11Å; L317-V354 WeakPolarHBondContact CB-O 3.41Å; L317-V355 HydrophobicContact CB-CG2 3.76Å
318T95.7Very high94Very high84 Ų8450.2 Ų50.252%0.51532%0.32SS..EExtended strand (participates in β ladder)trans-112.9132168-55.20000109.5V320 A353 V354T318-V320 HydrophobicContact CG2-CG2 4.43Å; T318-A353 CarbonylContact O-C 3.55Å; T318-A353 VanDerWaalsContact O-CA 3.31Å; T318-A353 WeakPolarHBondContact O-CA 3.39Å; T318-V354 PolarHBondContact N-O 2.66Å; T318-V354 PolarHBondContact O-N 3.33Å
319I95.9Very high93.9Very high9 Ų950.4 Ų50.45%0.04632%0.324CS..EExtended strand (participates in β ladder)trans-98.7143.8174.6-66170.9000109.3L317 N332 N334 R352 A353L317-I319 HydrophobicContact CD1-CD1 3.95Å; L317-I319 HydrophobicContact CD1-CG1 3.55Å; I319-N332 VanDerWaalsContact O-CA 3.29Å; I319-N332 WeakPolarHBondContact O-CA 3.41Å; I319-N334 WeakPolarHBondContact CD1-OD1 3.21Å; I319-R352 CarbonylContact C-O 3.56Å; I319-R352 WeakPolarHBondContact CA-O 3.45Å; I319-A353 HydrophobicContact CG1-CB 4.31Å
320V96.1Very high93.9Very high21 Ų2153.9 Ų53.913%0.12734%0.342CS..EExtended strand (participates in β ladder)trans-141.8120.8178.8-173.60000108.9T318 M322 V329 R352T318-V320 HydrophobicContact CG2-CG2 4.43Å; V320-M322 HydrophobicContact CG1-CE 4.13Å; V320-M322 HydrophobicContact CG1-CG 3.99Å; V320-M322 HydrophobicContact CG1-SD 4.11Å; V320-V329 HydrophobicContact CG1-CB 4.22Å; V320-V329 HydrophobicContact CG1-CG1 3.8Å; V320-V329 HydrophobicContact CG1-CG2 3.59Å; V320-R352 PolarHBondContact N-O 2.93Å; V320-R352 PolarHBondContact O-N 3Å
321W97.2Very high93.9Very high0 Ų054.1 Ų54.10%034%0.342CS..EExtended strand (participates in β ladder)trans-95131.9169.7-77.599.1000111P294 F307 C309 V329 L330 S331 E333 L336 V350 C351 V365P294-W321 HydrophobicContact CB-CH2 4.06Å; F307-W321 HydrophobicContact CB-CH2 3.4Å; F307-W321 VanDerWaalsContact CB-CH2 3.4Å; F307-W321 HydrophobicContact CB-CZ2 3.83Å; F307-W321 HydrophobicContact CB-CZ3 4.06Å; F307-W321 HydrophobicContact CG-CH2 4.2Å; F307-W321 HydrophobicContact CG-CZ3 4.46Å; C309-W321 HydrophobicContact CB-CH2 3.73Å; C309-W321 HydrophobicContact CB-CZ2 3.22Å; W321-V329 WeakPolarHBondContact O-CA 3.17Å; W321-L330 HydrophobicContact CB-CB 4.41Å; W321-L330 PolarHBondContact O-N 3.08Å; W321-S331 PolarHBondContact N-O 3.38Å; W321-E333 VanDerWaalsContact CD1-O 3.25Å; W321-E333 PolarHBondContact NE1-O 3.09Å; W321-E333 VanDerWaalsContact NE1-O 3.11Å; W321-L336 HydrophobicContact CB-CB 4.35Å; W321-L336 HydrophobicContact CB-CD1 4.34Å; W321-L336 HydrophobicContact CB-CD2 4.17Å; W321-L336 HydrophobicContact CD2-CB 3.58Å; W321-L336 HydrophobicContact CD2-CD2 3.93Å; W321-L336 HydrophobicContact CD2-CG 4.34Å; W321-L336 HydrophobicContact CE3-CB 4.08Å; W321-L336 HydrophobicContact CE3-CD2 3.67Å; W321-L336 HydrophobicContact CG-CB 3.74Å; W321-L336 HydrophobicContact CG-CD2 4.2Å; W321-L336 HydrophobicContact CG-CG 4.39Å; W321-L336 HydrophobicContact CZ2-CB 4.12Å; W321-L336 HydrophobicContact CZ3-CD2 4.27Å; W321-V350 WeakPolarHBondContact CA-O 3.38Å; W321-C351 HydrophobicContact CD2-CB 3.99Å; W321-C351 HydrophobicContact CE3-CB 3.81Å; W321-C351 HydrophobicContact CH2-CB 3.75Å; W321-C351 HydrophobicContact CZ2-CB 3.95Å; W321-C351 HydrophobicContact CZ3-CB 3.68Å; W321-V365 HydrophobicContact CH2-CG1 4.24Å; W321-V365 HydrophobicContact CZ3-CG1 3.83Å
322M96.2Very high93.8Very high24 Ų2458.3 Ų58.312%0.11837%0.367CS..EExtended strand (participates in β ladder)trans-138.7149.8176.8-64.9167.4-7000110V320 Y349 V350 R352V320-M322 HydrophobicContact CG1-CE 4.13Å; V320-M322 HydrophobicContact CG1-CG 3.99Å; V320-M322 HydrophobicContact CG1-SD 4.11Å; M322-Y349 WeakPolarHBondContact O-CA 3.37Å; M322-V350 PolarHBondContact N-O 3.06Å; M322-V350 PolarHBondContact O-N 3.32Å; M322-R352 HydrophobicContact CE-CB 4.15Å
323K94.8Very high93.8Very high54 Ų5461 Ų6124%0.23538%0.375CS..EExtended strand (participates in β ladder)trans-76.3136.9165.5-170.3168-179.1156.70108.5G325 S326 L330 E344 D345 A346 Y349K323-G325 PolarHBondContact O-N 3.44Å; K323-S326 WeakPolarHBondContact O-CA 3.46Å; K323-S326 WeakPolarHBondContact O-CB 3.47Å; K323-S326 PolarHBondContact O-N 3.16Å; K323-L330 HydrophobicContact CB-CD1 4.32Å; K323-E344 PolarHBondContact NZ-O 2.74Å; K323-D345 PolarHBondContact NZ-O 2.79Å; K323-A346 WeakPolarHBondContact CE-O 3.32Å; K323-A346 PolarHBondContact NZ-O 2.89Å; K323-Y349 HydrophobicContact CB-CD1 4.24Å; K323-Y349 HydrophobicContact CB-CE1 4.04Å; K323-Y349 HydrophobicContact CD-CE1 4.39Å; K323-Y349 HydrophobicContact CG-CE1 4.21Å
324R93.5Very high93.7Very high155 Ų15563.8 Ų63.859%0.58539%0.386SS*.THydrogen-bonded Turntrans-57.5126.2-177.8-171.7-172.1-178.476.49.4110.1S326 K348 V350 E364R324-S326 VanDerWaalsContact C-N 3.29Å; R324-K348 HydrophobicContact CB-CB 3.82Å; R324-K348 WeakPolarHBondContact CB-O 3.46Å; R324-K348 PolarHBondContact N-O 2.82Å; R324-V350 HydrophobicContact CB-CG2 4.27Å; R324-E364 VanDerWaalsContact CD-OE1 3.25Å; R324-E364 WeakPolarHBondContact CD-OE1 3.47Å; R324-E364 IonicContact CZ-OE1 3.8Å; R324-E364 IonicContact NE-OE1 2.65Å; R324-E364 IonicContact NH1-OE1 3.22Å; R324-E364 PolarHBondContact NH1-OE1 2.69Å
325G87.5Confident93.7Very high89 Ų8966.4 Ų66.492%0.91840%0.399SS*.THydrogen-bonded Turntrans84.1-5.2-175.700000114.9K323K323-G325 PolarHBondContact O-N 3.44Å
326S87.6Confident93.8Very high48 Ų4865 Ų6534%0.33639%0.39SS..  trans-98.7136.4169-176.20000110.6K323 R324 V328K323-S326 WeakPolarHBondContact O-CA 3.46Å; K323-S326 WeakPolarHBondContact O-CB 3.47Å; K323-S326 PolarHBondContact O-N 3.16Å; R324-S326 VanDerWaalsContact C-N 3.29Å; S326-V328 VanDerWaalsContact C-N 3.26Å; S326-V328 WeakPolarHBondContact OG-CB 3.44Å; S326-V328 PolarHBondContact OG-N 3.16Å
327G84.8Confident93.9Very high76 Ų7662.9 Ų62.978%0.78437%0.373SS*.  trans-82.71.3169.600000114
328V91.3Very high93.9Very high90 Ų9062.2 Ų62.255%0.54537%0.369SS..  trans-85.6126.6-175.2-177.20000110.7S326S326-V328 VanDerWaalsContact C-N 3.26Å; S326-V328 WeakPolarHBondContact OG-CB 3.44Å; S326-V328 PolarHBondContact OG-N 3.16Å
329V94.3Very high93.8Very high83 Ų8365.7 Ų65.750%0.50338%0.377SS..EExtended strand (participates in β ladder)trans-75.1126.1171.4-179.20000109.7V320 W321V320-V329 HydrophobicContact CG1-CB 4.22Å; V320-V329 HydrophobicContact CG1-CG1 3.8Å; V320-V329 HydrophobicContact CG1-CG2 3.59Å; W321-V329 WeakPolarHBondContact O-CA 3.17Å
330L94.6Very high93.7Very high73 Ų7370.1 Ų70.138%0.38240%0.401SS..EExtended strand (participates in β ladder)trans-99.1-33.3-178.9-58.8174.5000112.8W321 K323 L336 Y349W321-L330 HydrophobicContact CB-CB 4.41Å; W321-L330 PolarHBondContact O-N 3.08Å; K323-L330 HydrophobicContact CB-CD1 4.32Å; L330-L336 HydrophobicContact CB-CD1 3.67Å; L330-L336 HydrophobicContact CD1-CD1 4.46Å; L330-L336 HydrophobicContact CD1-CD2 4.28Å; L330-Y349 HydrophobicContact CD1-CD1 3.71Å; L330-Y349 HydrophobicContact CD1-CE1 3.48Å; L330-Y349 VanDerWaalsContact CD1-CE1 3.48Å
331S95.3Very high93.7Very high19 Ų1969.1 Ų69.113%0.13340%0.395CS..EExtended strand (participates in β ladder)trans-156.8150.9177.5173.60000109.4W321 E333 L335W321-S331 PolarHBondContact N-O 3.38Å; S331-E333 PolarHBondContact OG-N 3.09Å; S331-E333 VanDerWaalsContact OG-N 3.09Å; S331-L335 PolarHBondContact OG-O 2.98Å
332N94.8Very high93.4Very high118 Ų11875.6 Ų75.663%0.63142%0.419SS*.SBendtrans-113.19.6171.664-60.7000112.7I319I319-N332 VanDerWaalsContact O-CA 3.29Å; I319-N332 WeakPolarHBondContact O-CA 3.41Å
333E94.7Very high92.9Very high126 Ų12677.8 Ų77.859%0.58943%0.429SS*.SBendtrans-102.1169.5179.3-59.6-174.2177.200111.6W321 S331 L335W321-E333 VanDerWaalsContact CD1-O 3.25Å; W321-E333 PolarHBondContact NE1-O 3.09Å; W321-E333 VanDerWaalsContact NE1-O 3.11Å; S331-E333 PolarHBondContact OG-N 3.09Å; S331-E333 VanDerWaalsContact OG-N 3.09Å; E333-L335 PolarHBondContact O-N 2.87Å
334N94.3Very high92.6Very high77 Ų7781.4 Ų81.441%0.41245%0.447SS..SBendtrans-60.1-27.6172.4-64.514.2000112.2C309 I319C309-N334 PolarHBondContact N-O 2.93Å; C309-N334 VanDerWaalsContact O-CA 3.24Å; C309-N334 WeakPolarHBondContact O-CA 3.29Å; C309-N334 WeakPolarHBondContact O-CB 3.4Å; I319-N334 WeakPolarHBondContact CD1-OD1 3.21Å
335L95.7Very high92.5Very high73 Ų7376 Ų7638%0.38243%0.43SS..EExtended strand (participates in β ladder)trans-100.1137.3179.4-59.8179.2000111.1I306 F307 N308 S331 E333I306-L335 HydrophobicContact CG2-CD2 4.3Å; F307-L335 VanDerWaalsContact O-CA 3.32Å; F307-L335 WeakPolarHBondContact O-CA 3.36Å; N308-L335 HydrophobicContact CB-CD2 3.71Å; S331-L335 PolarHBondContact OG-O 2.98Å; E333-L335 PolarHBondContact O-N 2.87Å
336L96.3Very high92.7Very high3 Ų373.3 Ų73.32%0.01640%0.399CS..EExtended strand (participates in β ladder)trans-114113.1163.6170.965.1000108.4I306 F307 W321 L330 L338 Y349I306-L336 WeakPolarHBondContact CA-O 3.42Å; F307-L336 HydrophobicContact CB-CB 4.35Å; F307-L336 HydrophobicContact CD2-CD2 4.14Å; F307-L336 PolarHBondContact N-O 3.38Å; F307-L336 PolarHBondContact O-N 2.87Å; W321-L336 HydrophobicContact CB-CB 4.35Å; W321-L336 HydrophobicContact CB-CD1 4.34Å; W321-L336 HydrophobicContact CB-CD2 4.17Å; W321-L336 HydrophobicContact CD2-CB 3.58Å; W321-L336 HydrophobicContact CD2-CD2 3.93Å; W321-L336 HydrophobicContact CD2-CG 4.34Å; W321-L336 HydrophobicContact CE3-CB 4.08Å; W321-L336 HydrophobicContact CE3-CD2 3.67Å; W321-L336 HydrophobicContact CG-CB 3.74Å; W321-L336 HydrophobicContact CG-CD2 4.2Å; W321-L336 HydrophobicContact CG-CG 4.39Å; W321-L336 HydrophobicContact CZ2-CB 4.12Å; W321-L336 HydrophobicContact CZ3-CD2 4.27Å; L330-L336 HydrophobicContact CB-CD1 3.67Å; L330-L336 HydrophobicContact CD1-CD1 4.46Å; L330-L336 HydrophobicContact CD1-CD2 4.28Å; L336-L338 HydrophobicContact CD1-CD2 4.22Å; L336-L338 HydrophobicContact CG-CG 4.35Å; L336-Y349 HydrophobicContact CD2-CD1 3.66Å; L336-Y349 HydrophobicContact CD2-CE1 4.17Å; L336-Y349 HydrophobicContact CD2-CG 4.33Å
337T96.4Very high92.9Very high59 Ų5972.4 Ų72.436%0.36240%0.397SS..EExtended strand (participates in β ladder)trans-108.2114.3179-60.30000110.3E304 A305 I306 K339E304-T337 HydrophobicContact CG-CG2 3.77Å; E304-T337 WeakPolarHBondContact OE1-CG2 3.49Å; A305-T337 CarbonylContact O-C 3.6Å; A305-T337 WeakPolarHBondContact O-CA 3.17Å; I306-T337 HydrophobicContact CG1-CG2 4.17Å; T337-K339 HydrophobicContact CG2-CG 4.07Å
338L95.6Very high93.4Very high25 Ų2573.4 Ų73.413%0.13138%0.38CS..EExtended strand (participates in β ladder)trans-103116.2173.8-59.8169.8000108.3E304 A305 F307 L336 V341 Y349 L367E304-L338 CarbonylContact C-O 3.54Å; E304-L338 WeakPolarHBondContact CA-O 3.35Å; A305-L338 HydrophobicContact CB-CB 4.39Å; A305-L338 PolarHBondContact N-O 2.83Å; A305-L338 PolarHBondContact O-N 2.72Å; F307-L338 HydrophobicContact CE2-CD1 4.49Å; L336-L338 HydrophobicContact CD1-CD2 4.22Å; L336-L338 HydrophobicContact CG-CG 4.35Å; L338-V341 HydrophobicContact CB-CG2 3.98Å; L338-V341 WeakPolarHBondContact O-CG2 3.4Å; L338-Y349 HydrophobicContact CD1-CE1 3.89Å; L338-Y349 HydrophobicContact CD1-CE2 4.27Å; L338-Y349 WeakPolarHBondContact CD1-OH 3.28Å; L338-L367 HydrophobicContact CD1-CD2 3.77Å
339K94.1Very high93.7Very high158 Ų15869.3 Ų69.369%0.68736%0.355SS*.EExtended strand (participates in β ladder)trans-99140.7-177.8-62.9-171.2177.7-172.60110.8E304 T337E304-K339 HydrophobicContact CG-CG 4.3Å; E304-K339 WeakPolarHBondContact OE1-CE 3.33Å; E304-K339 WeakPolarHBondContact OE1-CG 3.38Å; T337-K339 HydrophobicContact CG2-CG 4.07Å
340N93.6Very high93.8Very high102 Ų10266 Ų6655%0.54534%0.335SS..SBendtrans57.553.4178.7-171.330000111.7G302 S303G302-N340 WeakPolarHBondContact CA-OD1 3.43Å; S303-N340 WeakPolarHBondContact O-CA 3.42Å; S303-N340 PolarHBondContact O-N 2.71Å; S303-N340 VanDerWaalsContact O-N 3.11Å
341V95.1Very high93.9Very high0 Ų062.6 Ų62.60%032%0.316CS..  trans-58.9133.5-171174.70000111.8V299 G302 S303 A305 L338 D345 L367 V369V299-V341 HydrophobicContact CG2-CB 4.3Å; V299-V341 HydrophobicContact CG2-CG1 3.91Å; V299-V341 HydrophobicContact CG2-CG2 4.4Å; G302-V341 PolarHBondContact N-O 2.62Å; S303-V341 WeakPolarHBondContact O-CG2 3.27Å; S303-V341 PolarHBondContact O-N 2.88Å; A305-V341 HydrophobicContact CB-CG2 3.93Å; L338-V341 HydrophobicContact CB-CG2 3.98Å; L338-V341 WeakPolarHBondContact O-CG2 3.4Å; V341-D345 HydrophobicContact CG1-CB 4.11Å; V341-L367 HydrophobicContact CG1-CD2 4.08Å; V341-V369 HydrophobicContact CG1-CB 4.43Å; V341-V369 HydrophobicContact CG1-CG1 4.06Å; V341-V369 HydrophobicContact CG1-CG2 3.46Å; V341-V369 VanDerWaalsContact CG1-CG2 3.46Å
342R91.6Very high93.9Very high136 Ų13666.1 Ų66.151%0.51333%0.327SS..  trans-113166.9-179.1-63.5176.7174.4-171.3-2112.2E344 D345R342-E344 HydrophobicContact CB-CG 3.83Å; R342-E344 WeakPolarHBondContact CD-OE1 3.32Å; R342-E344 IonicContact CZ-OE1 3.49Å; R342-E344 IonicContact NE-OE1 2.69Å; R342-E344 IonicContact NH1-OE1 3.42Å; R342-E344 PolarHBondContact NH1-OE1 2.86Å; R342-E344 PolarHBondContact O-N 3.06Å; R342-D345 PolarHBondContact N-OD2 2.97Å; R342-D345 WeakPolarHBondContact O-CB 3.29Å; R342-D345 PolarHBondContact O-N 2.95Å
343Q86Confident94.1Very high70 Ų7060.5 Ų60.533%0.32730%0.297SS..G310 helixtrans-59.4-30.5175.8-151.46538.600113D345 A346 V369Q343-D345 VanDerWaalsContact C-N 3.3Å; Q343-D345 PolarHBondContact O-N 2.93Å; Q343-A346 VanDerWaalsContact O-CB 3.31Å; Q343-A346 WeakPolarHBondContact O-CB 3.39Å; Q343-A346 PolarHBondContact O-N 2.88Å; Q343-V369 PolarHBondContact NE2-O 3.33Å
344E87.6Confident94.1Very high129 Ų12956.9 Ų56.960%0.60328%0.283SS*.G310 helixtrans-70.9-19.8175.463.2-166.5170.100113.9K323 R342K323-E344 PolarHBondContact NZ-O 2.74Å; R342-E344 HydrophobicContact CB-CG 3.83Å; R342-E344 WeakPolarHBondContact CD-OE1 3.32Å; R342-E344 IonicContact CZ-OE1 3.49Å; R342-E344 IonicContact NE-OE1 2.69Å; R342-E344 IonicContact NH1-OE1 3.42Å; R342-E344 PolarHBondContact NH1-OE1 2.86Å; R342-E344 PolarHBondContact O-N 3.06Å
345D91.4Very high94.3Very high43 Ų4353.2 Ų53.223%0.2326%0.264CS..G310 helixtrans-77.8-21.7174.7-63.3-48.8000112K323 V341 R342 Q343 Y349 L367K323-D345 PolarHBondContact NZ-O 2.79Å; V341-D345 HydrophobicContact CG1-CB 4.11Å; R342-D345 PolarHBondContact N-OD2 2.97Å; R342-D345 WeakPolarHBondContact O-CB 3.29Å; R342-D345 PolarHBondContact O-N 2.95Å; Q343-D345 VanDerWaalsContact C-N 3.3Å; Q343-D345 PolarHBondContact O-N 2.93Å; D345-Y349 WeakPolarHBondContact O-CE2 2.92Å; D345-Y349 PolarHBondContact O-OH 2.93Å; D345-L367 HydrophobicContact CB-CD2 4.27Å
346A90.9Very high94.2Very high32 Ų3253 Ų5326%0.26427%0.266SS..  trans-52.7146.1176.200000112.6K323 Q343 L367 V369K323-A346 WeakPolarHBondContact CE-O 3.32Å; K323-A346 PolarHBondContact NZ-O 2.89Å; Q343-A346 VanDerWaalsContact O-CB 3.31Å; Q343-A346 WeakPolarHBondContact O-CB 3.39Å; Q343-A346 PolarHBondContact O-N 2.88Å; A346-L367 WeakPolarHBondContact CA-O 3.48Å; A346-V369 HydrophobicContact CB-CB 4.31Å; A346-V369 HydrophobicContact CB-CG2 3.9Å
347G92.4Very high94Very high29 Ų2964.5 Ų64.530%0.29931%0.31SS..EExtended strand (participates in β ladder)trans130.7-163.5178.900000114L367G347-L367 PolarHBondContact N-O 3.16Å; G347-L367 PolarHBondContact O-N 2.92Å
348K96.3Very high93.9Very high97 Ų9764 Ų6442%0.42231%0.306SS..EExtended strand (participates in β ladder)trans-93.6135.7-173.5-74.2157.7171-121.40111.4R324 E364 V365R324-K348 HydrophobicContact CB-CB 3.82Å; R324-K348 WeakPolarHBondContact CB-O 3.46Å; R324-K348 PolarHBondContact N-O 2.82Å; K348-E364 HydrophobicContact CB-CG 4.06Å; K348-E364 WeakPolarHBondContact CD-OE2 3.04Å; K348-E364 WeakPolarHBondContact CE-OE2 3.3Å; K348-E364 HydrophobicContact CG-CG 4.18Å; K348-E364 IonicContact NZ-OE2 3.4Å; K348-E364 PolarHBondContact NZ-OE2 3.46Å; K348-V365 CarbonylContact C-O 3.56Å; K348-V365 WeakPolarHBondContact CA-O 3.29Å
349Y96.8Very high93.8Very high4 Ų464.1 Ų64.12%0.01631%0.314CS..EExtended strand (participates in β ladder)trans-117.1143.8175.4-70.6-96.4000109.2F307 M322 K323 L330 L336 L338 D345 E364 V365 L367F307-Y349 HydrophobicContact CE2-CD2 4.21Å; F307-Y349 HydrophobicContact CE2-CG 4.46Å; M322-Y349 WeakPolarHBondContact O-CA 3.37Å; K323-Y349 HydrophobicContact CB-CD1 4.24Å; K323-Y349 HydrophobicContact CB-CE1 4.04Å; K323-Y349 HydrophobicContact CD-CE1 4.39Å; K323-Y349 HydrophobicContact CG-CE1 4.21Å; L330-Y349 HydrophobicContact CD1-CD1 3.71Å; L330-Y349 HydrophobicContact CD1-CE1 3.48Å; L330-Y349 VanDerWaalsContact CD1-CE1 3.48Å; L336-Y349 HydrophobicContact CD2-CD1 3.66Å; L336-Y349 HydrophobicContact CD2-CE1 4.17Å; L336-Y349 HydrophobicContact CD2-CG 4.33Å; L338-Y349 HydrophobicContact CD1-CE1 3.89Å; L338-Y349 HydrophobicContact CD1-CE2 4.27Å; L338-Y349 WeakPolarHBondContact CD1-OH 3.28Å; D345-Y349 WeakPolarHBondContact O-CE2 2.92Å; D345-Y349 PolarHBondContact O-OH 2.93Å; Y349-E364 CarbonylContact O-C 3.53Å; Y349-E364 WeakPolarHBondContact O-CA 3.33Å; Y349-V365 PolarHBondContact N-O 2.86Å; Y349-V365 PolarHBondContact O-N 3.11Å; Y349-L367 HydrophobicContact CD2-CB 4.03Å; Y349-L367 HydrophobicContact CE2-CB 3.72Å; Y349-L367 HydrophobicContact CE2-CD2 4.01Å
350V96.9Very high93.9Very high14 Ų1459.8 Ų59.89%0.08531%0.308CS..EExtended strand (participates in β ladder)trans-118.6121.7-179.4-177.60000108.4W321 M322 R324 E362 K363W321-V350 WeakPolarHBondContact CA-O 3.38Å; M322-V350 PolarHBondContact N-O 3.06Å; M322-V350 PolarHBondContact O-N 3.32Å; R324-V350 HydrophobicContact CB-CG2 4.27Å; V350-E362 HydrophobicContact CG1-CB 3.94Å; V350-K363 WeakPolarHBondContact CA-O 3.27Å
351C96.7Very high94Very high0 Ų055.8 Ų55.80%029%0.29CS..EExtended strand (participates in β ladder)trans-94.4113.4166.5175.20000108.1C309 W311 W321 E362 K363C309-C351 HydrophobicContact CB-CB 3.71Å; C309-C351 WeakPolarHBondContact CB-SG 3.31Å; C309-C351 WeakPolarHBondContact SG-CB 3.45Å; C309-C351 CovalentContact SG-SG 2.03Å; C309-C351 PolarHBondContact SG-SG 3.15Å; W311-C351 PolarHBondContact NE1-SG 2.98Å; W321-C351 HydrophobicContact CD2-CB 3.99Å; W321-C351 HydrophobicContact CE3-CB 3.81Å; W321-C351 HydrophobicContact CH2-CB 3.75Å; W321-C351 HydrophobicContact CZ2-CB 3.95Å; W321-C351 HydrophobicContact CZ3-CB 3.68Å; C351-E362 CarbonylContact O-C 3.5Å; C351-E362 WeakPolarHBondContact O-CA 3.13Å; C351-K363 PolarHBondContact N-O 3.03Å; C351-K363 PolarHBondContact O-N 2.84Å
352R95.6Very high94.1Very high93 Ų9361.8 Ų61.835%0.35132%0.318SS..EExtended strand (participates in β ladder)trans-114.8128.6179.1-173.6176.276.2-168.73.3110.6I319 V320 M322 V354 G361 E362I319-R352 CarbonylContact C-O 3.56Å; I319-R352 WeakPolarHBondContact CA-O 3.45Å; V320-R352 PolarHBondContact N-O 2.93Å; V320-R352 PolarHBondContact O-N 3Å; M322-R352 HydrophobicContact CE-CB 4.15Å; R352-V354 HydrophobicContact CG-CG2 4.45Å; R352-G361 CarbonylContact C-O 3.57Å; R352-G361 WeakPolarHBondContact CA-O 3.18Å; R352-E362 HydrophobicContact CB-CB 4.14Å; R352-E362 HydrophobicContact CG-CB 4.1Å
353A97.5Very high94.3Very high0 Ų058.5 Ų58.50%031%0.308CS..EExtended strand (participates in β ladder)trans-108.3145.4169.900000111P288 W311 L317 T318 I319 A360 G361P288-A353 HydrophobicContact CB-CB 3.75Å; P288-A353 HydrophobicContact CG-CB 3.95Å; W311-A353 HydrophobicContact CB-CB 3.88Å; W311-A353 HydrophobicContact CD2-CB 3.59Å; W311-A353 HydrophobicContact CE3-CB 4.22Å; W311-A353 HydrophobicContact CG-CB 3.42Å; W311-A353 VanDerWaalsContact CG-CB 3.42Å; L317-A353 HydrophobicContact CD1-CB 4.38Å; L317-A353 HydrophobicContact CD2-CB 4.48Å; T318-A353 CarbonylContact O-C 3.55Å; T318-A353 VanDerWaalsContact O-CA 3.31Å; T318-A353 WeakPolarHBondContact O-CA 3.39Å; I319-A353 HydrophobicContact CG1-CB 4.31Å; A353-A360 CarbonylContact O-C 3.58Å; A353-A360 VanDerWaalsContact O-CA 3.28Å; A353-A360 WeakPolarHBondContact O-CA 3.25Å; A353-G361 PolarHBondContact N-O 3.28Å; A353-G361 PolarHBondContact O-N 2.81Å
354V96.4Very high94.7Very high50 Ų5058.1 Ų58.130%0.30331%0.306SS..EExtended strand (participates in β ladder)trans-132.9123.4177.8-174.90000109.7L317 T318 R352 A360L317-V354 CarbonylContact C-O 3.6Å; L317-V354 VanDerWaalsContact CA-O 3.25Å; L317-V354 WeakPolarHBondContact CA-O 3.11Å; L317-V354 WeakPolarHBondContact CB-O 3.41Å; T318-V354 PolarHBondContact N-O 2.66Å; T318-V354 PolarHBondContact O-N 3.33Å; R352-V354 HydrophobicContact CG-CG2 4.45Å; V354-A360 HydrophobicContact CG2-CB 4.05Å
355V97.2Very high95.2Very high1 Ų152 Ų521%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-96.8116.6166.6175.60000108P288 P315 L317 R357 V358 G359P288-V355 HydrophobicContact CG-CG2 3.94Å; P315-V355 WeakPolarHBondContact O-CG1 3.12Å; L317-V355 HydrophobicContact CB-CG2 3.76Å; V355-R357 PolarHBondContact O-N 2.84Å; V355-V358 HydrophobicContact CB-CB 4.12Å; V355-V358 HydrophobicContact CG1-CB 3.59Å; V355-V358 HydrophobicContact CG1-CG1 4.48Å; V355-V358 HydrophobicContact CG1-CG2 3.62Å; V355-V358 PolarHBondContact O-N 2.98Å; V355-V358 VanDerWaalsContact O-N 3.15Å; V355-G359 PolarHBondContact N-O 3.45Å; V355-G359 PolarHBondContact O-N 2.9Å; V355-G359 VanDerWaalsContact O-N 3.16Å
356P94.7Very high95.4Very high67 Ų6751.7 Ų51.744%0.43528%0.279SS..THydrogen-bonded Turntrans-55.3125.6-176.1-27.235.1000113.3V358P356-V358 PolarHBondContact O-N 2.89Å
357R91.3Very high95.6Very high246 Ų24650.3 Ų50.393%0.92827%0.267SS*.THydrogen-bonded Turntrans62.88.5180-54177.7-68.2-169.9-1.2116.1V355V355-R357 PolarHBondContact O-N 2.84Å
358V94.6Very high95.6Very high47 Ų4751.6 Ų51.629%0.28527%0.269SS..THydrogen-bonded Turntrans-115.3-45.6176-171.90000111.7L215 Y285 V355 P356L215-V358 HydrophobicContact CD2-CG1 4.25Å; L215-V358 HydrophobicContact CD2-CG2 4.26Å; Y285-V358 HydrophobicContact CD2-CG2 4.46Å; V355-V358 HydrophobicContact CB-CB 4.12Å; V355-V358 HydrophobicContact CG1-CB 3.59Å; V355-V358 HydrophobicContact CG1-CG1 4.48Å; V355-V358 HydrophobicContact CG1-CG2 3.62Å; V355-V358 PolarHBondContact O-N 2.98Å; V355-V358 VanDerWaalsContact O-N 3.15Å; P356-V358 PolarHBondContact O-N 2.89Å
359G94.2Very high95.5Very high29 Ų2947 Ų4730%0.29925%0.249SC..EExtended strand (participates in β ladder)trans166.4178.3177.500000114.7V355V355-G359 PolarHBondContact N-O 3.45Å; V355-G359 PolarHBondContact O-N 2.9Å; V355-G359 VanDerWaalsContact O-N 3.16Å
360A96.1Very high95.2Very high67 Ų6747.7 Ų47.755%0.55425%0.253SS*.EExtended strand (participates in β ladder)trans-130.8151.6175.400000110.3A353 V354A353-A360 CarbonylContact O-C 3.58Å; A353-A360 VanDerWaalsContact O-CA 3.28Å; A353-A360 WeakPolarHBondContact O-CA 3.25Å; V354-A360 HydrophobicContact CG2-CB 4.05Å
361G95.7Very high94.9Very high17 Ų1747 Ų4718%0.17525%0.249CC..EExtended strand (participates in β ladder)trans-136.4144.8174.500000109.4R352 A353R352-G361 CarbonylContact C-O 3.57Å; R352-G361 WeakPolarHBondContact CA-O 3.18Å; A353-G361 PolarHBondContact N-O 3.28Å; A353-G361 PolarHBondContact O-N 2.81Å
362E95.5Very high94.6Very high127 Ų12749.5 Ų49.559%0.59327%0.265SS*.EExtended strand (participates in β ladder)trans-137150.1177.960.8179.5-149.400112V350 C351 R352V350-E362 HydrophobicContact CG1-CB 3.94Å; C351-E362 CarbonylContact O-C 3.5Å; C351-E362 WeakPolarHBondContact O-CA 3.13Å; R352-E362 HydrophobicContact CB-CB 4.14Å; R352-E362 HydrophobicContact CG-CB 4.1Å
363K96Very high94.5Very high66 Ų6645.2 Ų45.229%0.28725%0.25SC..EExtended strand (participates in β ladder)trans-136.4130.6175.4-173.364.5175.5-162.60110.3M290 E293 P294 W311 V350 C351M290-K363 HydrophobicContact CE-CB 4.3Å; M290-K363 HydrophobicContact CE-CD 3.91Å; M290-K363 HydrophobicContact CE-CG 3.92Å; M290-K363 HydrophobicContact SD-CB 3.91Å; M290-K363 HydrophobicContact SD-CG 3.99Å; E293-K363 WeakPolarHBondContact OE1-CE 3.2Å; E293-K363 IonicContact OE1-NZ 3.75Å; E293-K363 PolarHBondContact OE1-NZ 2.83Å; P294-K363 HydrophobicContact CG-CB 4.26Å; P294-K363 HydrophobicContact CG-CG 3.76Å; W311-K363 HydrophobicContact CH2-CB 4.5Å; W311-K363 HydrophobicContact CZ2-CB 4.1Å; V350-K363 WeakPolarHBondContact CA-O 3.27Å; C351-K363 PolarHBondContact N-O 3.03Å; C351-K363 PolarHBondContact O-N 2.84Å
364E95.9Very high94.1Very high62 Ų6248.5 Ų48.529%0.2927%0.269SS..EExtended strand (participates in β ladder)trans-91.6142.3173.9-176.8173.1-75.100111.4R324 K348 Y349R324-E364 VanDerWaalsContact CD-OE1 3.25Å; R324-E364 WeakPolarHBondContact CD-OE1 3.47Å; R324-E364 IonicContact CZ-OE1 3.8Å; R324-E364 IonicContact NE-OE1 2.65Å; R324-E364 IonicContact NH1-OE1 3.22Å; R324-E364 PolarHBondContact NH1-OE1 2.69Å; K348-E364 HydrophobicContact CB-CG 4.06Å; K348-E364 WeakPolarHBondContact CD-OE2 3.04Å; K348-E364 WeakPolarHBondContact CE-OE2 3.3Å; K348-E364 HydrophobicContact CG-CG 4.18Å; K348-E364 IonicContact NZ-OE2 3.4Å; K348-E364 PolarHBondContact NZ-OE2 3.46Å; Y349-E364 CarbonylContact O-C 3.53Å; Y349-E364 WeakPolarHBondContact O-CA 3.33Å
365V96.8Very high93.8Very high2 Ų246.8 Ų46.81%0.01226%0.258CS..EExtended strand (participates in β ladder)trans-139.5150.7175.869.20000109.4P294 Q295 F307 W321 K348 Y349P294-V365 HydrophobicContact CB-CB 4.08Å; P294-V365 HydrophobicContact CB-CG1 4.29Å; P294-V365 HydrophobicContact CB-CG2 4.13Å; P294-V365 HydrophobicContact CG-CB 4.31Å; Q295-V365 WeakPolarHBondContact O-CG2 3.49Å; F307-V365 HydrophobicContact CD1-CB 4.42Å; F307-V365 HydrophobicContact CD1-CG1 3.78Å; F307-V365 HydrophobicContact CD1-CG2 3.72Å; F307-V365 HydrophobicContact CE1-CB 4.38Å; F307-V365 HydrophobicContact CE1-CG1 3.88Å; F307-V365 HydrophobicContact CE1-CG2 3.56Å; F307-V365 HydrophobicContact CG-CG1 4.2Å; F307-V365 HydrophobicContact CZ-CG1 4.37Å; W321-V365 HydrophobicContact CH2-CG1 4.24Å; W321-V365 HydrophobicContact CZ3-CG1 3.83Å; K348-V365 CarbonylContact C-O 3.56Å; K348-V365 WeakPolarHBondContact CA-O 3.29Å; Y349-V365 PolarHBondContact N-O 2.86Å; Y349-V365 PolarHBondContact O-N 3.11Å
366S96Very high93.3Very high36 Ų3649.4 Ų49.425%0.25228%0.277SS..EExtended strand (participates in β ladder)trans-109.4139.9-179.4-59.30000112.4S296 L297S296-S366 CarbonylContact C-O 3.55Å; S296-S366 VanDerWaalsContact CA-O 3.28Å; S296-S366 WeakPolarHBondContact CA-O 3.3Å; S296-S366 WeakPolarHBondContact CB-O 3.12Å; S296-S366 PolarHBondContact OG-N 3.08Å; S296-S366 VanDerWaalsContact OG-N 3.09Å; L297-S366 PolarHBondContact N-O 3.38Å
367L95.6Very high92.8Very high3 Ų346.9 Ų46.92%0.01626%0.261CS..EExtended strand (participates in β ladder)trans-104.9120.6166.6-173.461.4000109.5L297 V299 A305 F307 L338 V341 D345 A346 G347 Y349 V369L297-L367 HydrophobicContact CB-CD1 4.08Å; V299-L367 HydrophobicContact CG1-CD1 4.36Å; V299-L367 HydrophobicContact CG2-CD1 3.86Å; A305-L367 HydrophobicContact CB-CD1 3.74Å; A305-L367 HydrophobicContact CB-CD2 4.46Å; F307-L367 HydrophobicContact CE2-CB 4.17Å; F307-L367 HydrophobicContact CE2-CD1 4.21Å; F307-L367 HydrophobicContact CZ-CB 3.79Å; F307-L367 HydrophobicContact CZ-CD1 3.89Å; F307-L367 HydrophobicContact CZ-CG 4.37Å; L338-L367 HydrophobicContact CD1-CD2 3.77Å; V341-L367 HydrophobicContact CG1-CD2 4.08Å; D345-L367 HydrophobicContact CB-CD2 4.27Å; A346-L367 WeakPolarHBondContact CA-O 3.48Å; G347-L367 PolarHBondContact N-O 3.16Å; G347-L367 PolarHBondContact O-N 2.92Å; Y349-L367 HydrophobicContact CD2-CB 4.03Å; Y349-L367 HydrophobicContact CE2-CB 3.72Å; Y349-L367 HydrophobicContact CE2-CD2 4.01Å; L367-V369 HydrophobicContact CD2-CG2 4.27Å; L367-V369 HydrophobicContact CG-CG2 4.12Å
368T92.7Very high92.4Very high55 Ų5539.3 Ų39.334%0.33724%0.242SC..EExtended strand (participates in β ladder)trans-106.8129.8170.7-59.50000108.4L297 Q298 V299 T398L297-T368 PolarHBondContact O-N 2.84Å; Q298-T368 VanDerWaalsContact CA-O 3.32Å; Q298-T368 WeakPolarHBondContact CA-O 3.39Å; Q298-T368 HydrophobicContact CG-CG2 4.1Å; V299-T368 PolarHBondContact N-O 2.82Å; T368-T398 HydrophobicContact CG2-CG2 3.58Å
369V93.1Very high91.9Very high1 Ų143 Ų431%0.00626%0.256CS..EExtended strand (participates in β ladder)trans-111.7120.3-178.7-175.40000109.1V299 L301 V341 Q343 A346 L367V299-V369 HydrophobicContact CG2-CG2 4.49Å; V299-V369 CarbonylContact O-C 3.56Å; V299-V369 WeakPolarHBondContact O-CA 3Å; L301-V369 HydrophobicContact CB-CG1 4.37Å; V341-V369 HydrophobicContact CG1-CB 4.43Å; V341-V369 HydrophobicContact CG1-CG1 4.06Å; V341-V369 HydrophobicContact CG1-CG2 3.46Å; V341-V369 VanDerWaalsContact CG1-CG2 3.46Å; Q343-V369 PolarHBondContact NE2-O 3.33Å; A346-V369 HydrophobicContact CB-CB 4.31Å; A346-V369 HydrophobicContact CB-CG2 3.9Å; L367-V369 HydrophobicContact CD2-CG2 4.27Å; L367-V369 HydrophobicContact CG-CG2 4.12Å
370N91.6Very high91.5Very high18 Ų1846 Ų4610%0.09627%0.269CS..EExtended strand (participates in β ladder)trans-77.9131.4171.9-57.7-34.6000109.4Q298 V299 D300 L301 T398 F458Q298-N370 WeakPolarHBondContact CG-OD1 3.34Å; Q298-N370 PolarHBondContact NE2-OD1 3.46Å; V299-N370 PolarHBondContact O-N 2.02Å; D300-N370 WeakPolarHBondContact OD1-CB 3.38Å; D300-N370 PolarHBondContact OD1-ND2 2.97Å; L301-N370 WeakPolarHBondContact CB-O 3.42Å; L301-N370 PolarHBondContact N-O 3.29Å; N370-T398 VanDerWaalsContact CA-O 3.24Å; N370-T398 WeakPolarHBondContact CA-O 3.38Å; N370-F458 HydrophobicContact CB-CD2 4.39Å; N370-F458 HydrophobicContact CB-CE1 4.3Å; N370-F458 HydrophobicContact CB-CE2 3.73Å; N370-F458 HydrophobicContact CB-CZ 3.67Å
371G90.1Very high91.1Very high1 Ų144.1 Ų44.11%0.0125%0.249CC..  trans-164179-178.500000111.1T398 N456G371-T398 PolarHBondContact N-O 2.84Å; G371-N456 PolarHBondContact O-ND2 3.43Å
372P90.9Very high90.7Very high52 Ų5249.2 Ų49.234%0.33827%0.268SS..SBendtrans-59158171.928.2-35.3000110.6
373P91.8Very high90.3Very high3 Ų343.6 Ų43.62%0.01924%0.243CC..  trans-56.4152.7174.5-21.534.8000110.8I395 A454 N456 D461P373-I395 HydrophobicContact CB-CG2 4.09Å; P373-A454 HydrophobicContact CB-CB 3.88Å; P373-A454 HydrophobicContact CG-CB 4.08Å; P373-N456 HydrophobicContact CG-CB 4.19Å; P373-D461 HydrophobicContact CB-CB 4.47Å; P373-D461 WeakPolarHBondContact O-CB 3.41Å
374T89.8Confident89.8Confident68 Ų6843 Ų4342%0.41724%0.243SC..EExtended strand (participates in β ladder)trans-126.5114.8174.1-55.90000108.6R396 D461T374-R396 PolarHBondContact N-O 2.91Å; T374-R396 PolarHBondContact O-N 2.82Å; T374-D461 WeakPolarHBondContact CA-OD2 3.09Å
375I90.9Very high89.4Confident14 Ų1444.6 Ų44.67%0.07225%0.25CS..EExtended strand (participates in β ladder)trans-89.8130.3180-55.2178.4000109F394 I395 C452 A454 D461 E463I375-F394 WeakPolarHBondContact CA-O 3.21Å; I375-I395 HydrophobicContact CG1-CG1 4.13Å; I375-C452 WeakPolarHBondContact CD1-O 3.3Å; I375-A454 HydrophobicContact CD1-CB 4.45Å; I375-D461 HydrophobicContact CD1-CB 4.5Å; I375-D461 WeakPolarHBondContact CD1-O 3.27Å; I375-D461 HydrophobicContact CG1-CB 4.37Å; I375-D461 PolarHBondContact N-OD2 2.86Å; I375-E463 HydrophobicContact CB-CB 3.9Å; I375-E463 HydrophobicContact CD1-CB 4.34Å; I375-E463 HydrophobicContact CG2-CB 3.46Å; I375-E463 VanDerWaalsContact CG2-CB 3.46Å; I375-E463 HydrophobicContact CG2-CG 4.17Å
376S85.9Confident88.7Confident57 Ų5746.5 Ų46.540%0.39927%0.27SS..  trans-123.424.3-172.154.70000112.7F394S376-F394 PolarHBondContact N-O 2.84Å; S376-F394 PolarHBondContact OG-O 2.85Å
377S83.5Confident88.3Confident13 Ų1350.4 Ų50.49%0.09128%0.284CS..  trans-80.4157.6-178.7-1570000112.9Q379 Q381 K392S377-Q379 PolarHBondContact O-N 2.9Å; S377-Q381 PolarHBondContact OG-NE2 3.05Å; S377-K392 PolarHBondContact OG-O 2.87Å
378T83.5Confident88Confident87 Ų8757.2 Ų57.253%0.53431%0.314SS..  trans-74.5125.4173.757.70000110.8T380 Q381T378-T380 PolarHBondContact O-N 2.9Å; T378-T380 PolarHBondContact OG1-O 2.82Å; T378-T380 VanDerWaalsContact OG1-O 3.06Å; T378-Q381 WeakPolarHBondContact OG1-CG 3.47Å
379Q84.9Confident87.8Confident125 Ų12554.7 Ų54.758%0.58430%0.299SS*.SBendtrans-57-21.7177.3-76.2179.22.800114.7S377 E463 R466S377-Q379 PolarHBondContact O-N 2.9Å; Q379-E463 WeakPolarHBondContact CG-OE1 3.39Å; Q379-E463 PolarHBondContact NE2-OE1 2.84Å; Q379-R466 PolarHBondContact O-N 2.82Å
380T85.4Confident87.7Confident93 Ų9358.4 Ų58.457%0.57132%0.316SS*.EExtended strand (participates in β ladder)trans-124.6135.5171.355.50000110.4T378 R466T378-T380 PolarHBondContact O-N 2.9Å; T378-T380 PolarHBondContact OG1-O 2.82Å; T378-T380 VanDerWaalsContact OG1-O 3.06Å; T380-R466 WeakPolarHBondContact CA-O 3.47Å; T380-R466 HydrophobicContact CG2-CB 4.48Å
381Q87.4Confident87.7Confident26 Ų2657.5 Ų57.512%0.12131%0.311CS..EExtended strand (participates in β ladder)trans-130.5142.5175.2-67.4-178.638.900108.9S377 T378 K392 I465 R466 L467 K468S377-Q381 PolarHBondContact OG-NE2 3.05Å; T378-Q381 WeakPolarHBondContact OG1-CG 3.47Å; Q381-K392 PolarHBondContact NE2-O 2.83Å; Q381-I465 HydrophobicContact CG-CG2 4.21Å; Q381-R466 PolarHBondContact N-O 3.1Å; Q381-L467 CarbonylContact O-C 3.58Å; Q381-L467 WeakPolarHBondContact O-CA 3.3Å; Q381-K468 PolarHBondContact O-N 3.15Å
382Q88Confident87.8Confident125 Ų12561.6 Ų61.658%0.58433%0.329SS*.EExtended strand (participates in β ladder)trans-97.7140.6-174-64.3-175.99.100110.5K468 Q470Q382-K468 WeakPolarHBondContact CA-O 3.35Å; Q382-Q470 HydrophobicContact CB-CB 4.08Å; Q382-Q470 HydrophobicContact CB-CG 4.25Å
383A87Confident87.9Confident8 Ų859.1 Ų59.17%0.06631%0.313CS..EExtended strand (participates in β ladder)trans-154.115617000000112.7I441 L467 K468 Q470A383-I441 HydrophobicContact CB-CD1 3.3Å; A383-L467 HydrophobicContact CB-CD1 3.95Å; A383-L467 HydrophobicContact CB-CD2 4.23Å; A383-L467 HydrophobicContact CB-CG 4.25Å; A383-K468 PolarHBondContact N-O 3.02Å; A383-K468 VanDerWaalsContact N-O 3.1Å; A383-Q470 PolarHBondContact O-N 2.88Å
384L86.1Confident88Confident54 Ų5462.9 Ų62.928%0.28333%0.329SS..  trans-83.5136.7-179.3-68.6164.9000111.5E387 I441 Q470L384-E387 HydrophobicContact CB-CB 4.26Å; L384-E387 HydrophobicContact CB-CG 4.24Å; L384-E387 VanDerWaalsContact CD1-OE2 3.3Å; L384-E387 WeakPolarHBondContact CD1-OE2 3.3Å; L384-I441 VanDerWaalsContact O-CD1 3.25Å; L384-I441 WeakPolarHBondContact O-CD1 3.24Å; L384-Q470 HydrophobicContact CD2-CB 4.06Å; L384-Q470 HydrophobicContact CD2-CG 4.4Å; L384-Q470 WeakPolarHBondContact CD2-O 3.35Å; L384-Q470 HydrophobicContact CG-CB 4.28Å
385H86.8Confident88.1Confident96 Ų9659.7 Ų59.744%0.44431%0.309SS..THydrogen-bonded Turntrans-66.4135.3175.3177.7-168.6000110.9E387 I441 P443 F446 E469H385-E387 PolarHBondContact O-N 2.87Å; H385-I441 PolarHBondContact CD2-O 2.87Å; H385-P443 WeakPolarHBondContact NE2-CD 3.5Å; H385-F446 HydrophobicContact CB-CE2 3.95Å; H385-F446 HydrophobicContact CB-CZ 4.14Å; H385-E469 VanDerWaalsContact CB-OE1 3.31Å; H385-E469 WeakPolarHBondContact CB-OE1 3.37Å; H385-E469 IonicContact CG-OE1 2.7Å; H385-E469 IonicContact ND1-OE1 3.98Å; H385-E469 PolarHBondContact ND1-OE1 3.29Å
386G82.6Confident88Confident42 Ų4265 Ų6543%0.43333%0.328SS..THydrogen-bonded Turntrans84.8-14.1178.800000114.7N440 I441G386-N440 WeakPolarHBondContact CA-OD1 3.23Å; G386-N440 PolarHBondContact O-OD1 3Å; G386-I441 PolarHBondContact N-O 3.39Å
387E86.8Confident88.1Confident117 Ų11763 Ų6355%0.54732%0.315SS..SBendtrans-98.3175179.9-62.5-164.4166.200112.8L384 H385 G389 N440 I441L384-E387 HydrophobicContact CB-CB 4.26Å; L384-E387 HydrophobicContact CB-CG 4.24Å; L384-E387 VanDerWaalsContact CD1-OE2 3.3Å; L384-E387 WeakPolarHBondContact CD1-OE2 3.3Å; H385-E387 PolarHBondContact O-N 2.87Å; E387-G389 PolarHBondContact O-N 2.89Å; E387-N440 CarbonylContact O-C 3.44Å; E387-N440 VanDerWaalsContact O-CA 3.31Å; E387-N440 WeakPolarHBondContact O-CA 3.39Å; E387-I441 PolarHBondContact O-N 2.86Å
388K88.5Confident88.3Confident146 Ų14664.9 Ų64.964%0.63533%0.325SS*.  trans-72.9116.4175.5-176.7-176.9178-178.60110T437 M438K388-T437 HydrophobicContact CD-CG2 4.34Å; K388-T437 HydrophobicContact CG-CG2 4.21Å; K388-M438 CarbonylContact C-O 3.42Å; K388-M438 WeakPolarHBondContact CA-O 3.43Å; K388-M438 WeakPolarHBondContact CG-O 3.4Å
389G88.8Confident88.6Confident2 Ų262.3 Ų62.32%0.02131%0.31CS..EExtended strand (participates in β ladder)trans-95.9156.9178.800000113.8E387 T437 M438E387-G389 PolarHBondContact O-N 2.89Å; G389-T437 CarbonylContact O-C 3.54Å; G389-T437 WeakPolarHBondContact O-CA 3.31Å; G389-M438 PolarHBondContact N-O 2.95Å; G389-M438 PolarHBondContact O-N 2.82Å
390Q91.6Very high88.7Confident79 Ų7960.9 Ų60.937%0.36931%0.312SS..EExtended strand (participates in β ladder)trans-138.9138.4168.1-61.3-163.1-40.800111T435 L436 T437Q390-T435 HydrophobicContact CB-CG2 4.02Å; Q390-T435 HydrophobicContact CG-CG2 4.32Å; Q390-L436 CarbonylContact C-O 3.6Å; Q390-L436 WeakPolarHBondContact CA-O 3.39Å; Q390-T437 HydrophobicContact CG-CG2 4.17Å; Q390-T437 WeakPolarHBondContact CG-OG1 3.33Å; Q390-T437 PolarHBondContact NE2-OG1 3.21Å
391I92Very high89.1Confident0 Ų057.6 Ų57.60%029%0.292CS..EExtended strand (participates in β ladder)trans-117.4122.2169.8-47.2-176.2000107.5W406 T435 L436 M438 Y450 I465 L467I391-W406 HydrophobicContact CB-CH2 4.04Å; I391-W406 HydrophobicContact CB-CZ3 4.28Å; I391-W406 HydrophobicContact CG2-CH2 3.67Å; I391-W406 HydrophobicContact CG2-CZ3 3.86Å; I391-T435 CarbonylContact O-C 3.49Å; I391-T435 WeakPolarHBondContact O-CA 3.31Å; I391-L436 HydrophobicContact CB-CB 4.42Å; I391-L436 HydrophobicContact CD1-CD2 4.48Å; I391-L436 PolarHBondContact N-O 3.07Å; I391-L436 PolarHBondContact O-N 3.31Å; I391-M438 HydrophobicContact CD1-CE 4.07Å; I391-M438 HydrophobicContact CD1-SD 4.29Å; I391-M438 HydrophobicContact CG1-CE 3.82Å; I391-M438 HydrophobicContact CG1-SD 4.03Å; I391-Y450 HydrophobicContact CD1-CD1 4.25Å; I391-Y450 HydrophobicContact CD1-CD2 3.44Å; I391-Y450 VanDerWaalsContact CD1-CD2 3.44Å; I391-Y450 HydrophobicContact CD1-CE2 3.74Å; I391-Y450 HydrophobicContact CD1-CG 3.72Å; I391-I465 HydrophobicContact CG2-CB 4.08Å; I391-I465 HydrophobicContact CG2-CD1 4.14Å; I391-I465 HydrophobicContact CG2-CG2 3.4Å; I391-I465 VanDerWaalsContact CG2-CG2 3.4Å; I391-L467 HydrophobicContact CD1-CD1 4.09Å; I391-L467 HydrophobicContact CG1-CD1 3.9Å
392K92.6Very high89.3Confident86 Ų8662.3 Ų62.337%0.37432%0.318SS..EExtended strand (participates in β ladder)trans-101.7143.1-179.8-64.8-176.9179.8179.50110.9S377 Q381 F394 I433 S434 T435S377-K392 PolarHBondContact OG-O 2.87Å; Q381-K392 PolarHBondContact NE2-O 2.83Å; K392-F394 HydrophobicContact CB-CD2 4.49Å; K392-F394 HydrophobicContact CB-CE2 3.82Å; K392-F394 HydrophobicContact CB-CZ 4.21Å; K392-F394 HydrophobicContact CD-CZ 4.38Å; K392-I433 HydrophobicContact CB-CG2 4.45Å; K392-S434 CarbonylContact C-O 3.57Å; K392-T435 HydrophobicContact CG-CG2 3.99Å
393C92.7Very high89.5Confident0 Ų061.5 Ų61.50%031%0.31CS..EExtended strand (participates in β ladder)trans-127.3112.4176.3179.70000108.7W406 I433 S434 C452 I465C393-W406 HydrophobicContact CB-CH2 3.66Å; C393-W406 HydrophobicContact CB-CZ2 3.38Å; C393-I433 WeakPolarHBondContact O-CA 3.23Å; C393-S434 PolarHBondContact N-O 3.33Å; C393-S434 PolarHBondContact O-N 3.46Å; C393-C452 HydrophobicContact CB-CB 3.68Å; C393-C452 WeakPolarHBondContact CB-SG 3.41Å; C393-C452 WeakPolarHBondContact SG-CB 3.45Å; C393-C452 CovalentContact SG-SG 2.03Å; C393-C452 PolarHBondContact SG-SG 2.85Å; C393-I465 HydrophobicContact CB-CD1 4.33Å
394F93Very high89.9Confident82 Ų8262 Ų6236%0.3631%0.311SS..EExtended strand (participates in β ladder)trans-95.2107.2-177.6-62.8-93.1000109.5I375 S376 K392 I433I375-F394 WeakPolarHBondContact CA-O 3.21Å; S376-F394 PolarHBondContact N-O 2.84Å; S376-F394 PolarHBondContact OG-O 2.85Å; K392-F394 HydrophobicContact CB-CD2 4.49Å; K392-F394 HydrophobicContact CB-CE2 3.82Å; K392-F394 HydrophobicContact CB-CZ 4.21Å; K392-F394 HydrophobicContact CD-CZ 4.38Å; F394-I433 HydrophobicContact CD1-CD1 3.85Å; F394-I433 HydrophobicContact CD1-CG1 3.74Å; F394-I433 HydrophobicContact CD1-CG2 4.41Å; F394-I433 HydrophobicContact CE1-CD1 3.6Å; F394-I433 HydrophobicContact CE1-CG1 3.99Å; F394-I433 HydrophobicContact CE1-CG2 4.3Å
395I92.3Very high90.3Very high2 Ų259.5 Ų59.51%0.0130%0.299CS..EExtended strand (participates in β ladder)trans-110.3113.8-171.8-57.2148.5000108.2P373 I375 I404 V432 A454P373-I395 HydrophobicContact CB-CG2 4.09Å; I375-I395 HydrophobicContact CG1-CG1 4.13Å; I395-I404 HydrophobicContact CD1-CD1 3.69Å; I395-I404 HydrophobicContact CD1-CG1 3.99Å; I395-I404 HydrophobicContact CD1-CG2 3.83Å; I395-V432 HydrophobicContact CB-CB 4.48Å; I395-V432 WeakPolarHBondContact CB-O 3.35Å; I395-V432 PolarHBondContact N-O 2.92Å; I395-V432 PolarHBondContact O-N 2.92Å; I395-A454 HydrophobicContact CD1-CB 4.27Å; I395-A454 HydrophobicContact CG1-CB 4.31Å; I395-A454 HydrophobicContact CG2-CB 3.72Å
396R89.8Confident90.7Very high124 Ų12455 Ų5547%0.46828%0.277SS..EExtended strand (participates in β ladder)trans-95.1121.2168.5-62.2-161.6173.4116-5.5108T374 E430T374-R396 PolarHBondContact N-O 2.91Å; T374-R396 PolarHBondContact O-N 2.82Å; R396-E430 WeakPolarHBondContact CG-O 3.49Å; R396-E430 IonicContact CZ-OE2 3.78Å; R396-E430 IonicContact NE-OE2 3.75Å; R396-E430 IonicContact NH2-OE2 3.06Å; R396-E430 PolarHBondContact NH2-OE2 2.81Å
397S87.3Confident91.2Very high17 Ų1754.4 Ų54.412%0.11927%0.267CS..  trans-146.9129.2-175.3-172.90000110.2P399 N456S397-P399 CarbonylContact C-O 3.6Å; S397-P399 WeakPolarHBondContact CB-O 3Å; S397-P399 CarbonylContact O-C 3.02Å; S397-P399 PolarHBondContact OG-O 2.64Å; S397-N456 PolarHBondContact OG-ND2 2.86Å
398T88.5Confident91.5Very high51 Ų5149.5 Ų49.531%0.31324%0.243SC..SBendtrans-135119169.8-51.30000107.9T368 N370 G371T368-T398 HydrophobicContact CG2-CG2 3.58Å; N370-T398 VanDerWaalsContact CA-O 3.24Å; N370-T398 WeakPolarHBondContact CA-O 3.38Å; G371-T398 PolarHBondContact N-O 2.84Å
399P88.3Confident91.4Very high33 Ų3350.1 Ų50.121%0.21425%0.246CC..SBendcis-58.5166-7.828.6-36.6000112.9S397 N456 F458S397-P399 CarbonylContact C-O 3.6Å; S397-P399 WeakPolarHBondContact CB-O 3Å; S397-P399 CarbonylContact O-C 3.02Å; S397-P399 PolarHBondContact OG-O 2.64Å; P399-N456 PolarHBondContact O-ND2 2.86Å; P399-F458 HydrophobicContact CG-CD2 4.15Å; P399-F458 HydrophobicContact CG-CE2 4.06Å
400P88.6Confident91.3Very high95 Ų9559.3 Ų59.362%0.61729%0.289SS*.PPolyproline II helixtrans-51.4153.4174.8-26.335.5000112.5D402P400-D402 PolarHBondContact O-N 2.89Å
401P91.8Very high91.1Very high25 Ų2558.7 Ų58.716%0.16229%0.29CS..PPolyproline II helixtrans-73.5129.9-175.630.4-31.6000111R403 I404 V432 A454 W455P401-R403 VanDerWaalsContact C-N 3.28Å; P401-I404 HydrophobicContact CB-CD1 4.45Å; P401-I404 HydrophobicContact CB-CG1 4.1Å; P401-I404 HydrophobicContact CG-CD1 3.79Å; P401-I404 HydrophobicContact CG-CG1 4Å; P401-V432 HydrophobicContact CG-CG2 4.12Å; P401-A454 HydrophobicContact CB-CB 4.48Å; P401-W455 CarbonylContact C-O 3.5Å; P401-W455 VanDerWaalsContact CA-O 3.24Å; P401-W455 WeakPolarHBondContact CA-O 3.41Å; P401-W455 WeakPolarHBondContact CB-O 3.36Å
402D92.1Very high91.2Very high124 Ų12463 Ų6366%0.66332%0.316SS*.SBendtrans-70.4-28.1176.7-61-54.6000111.7P400 W455 N456 S457P400-D402 PolarHBondContact O-N 2.89Å; D402-W455 PolarHBondContact N-O 2.83Å; D402-N456 VanDerWaalsContact OD2-C 3.3Å; D402-N456 VanDerWaalsContact OD2-CA 3.23Å; D402-N456 WeakPolarHBondContact OD2-CA 3.45Å; D402-S457 PolarHBondContact OD2-N 3.33Å; D402-S457 VanDerWaalsContact OD2-N 3.08Å
403R92.9Very high91.2Very high108 Ų10859.8 Ų59.841%0.40830%0.303SS..EExtended strand (participates in β ladder)trans-149.5142.2-178.2-173.6-176.6-177.7-149.53.9110.5P401 E414 W455P401-R403 VanDerWaalsContact C-N 3.28Å; R403-E414 IonicContact CZ-OE1 3.99Å; R403-E414 IonicContact NE-OE1 3.42Å; R403-E414 PolarHBondContact NE-OE1 3.2Å; R403-E414 IonicContact NH2-OE1 2.83Å; R403-E414 PolarHBondContact NH2-OE1 3.02Å; R403-W455 HydrophobicContact CB-CB 4.31Å; R403-W455 HydrophobicContact CB-CE3 3.94Å; R403-W455 HydrophobicContact CG-CE3 3.8Å; R403-W455 HydrophobicContact CG-CZ3 4.1Å; R403-W455 PolarHBondContact N-O 2.78Å; R403-W455 PolarHBondContact O-N 2.9Å
404I94.9Very high91Very high19 Ų1963.9 Ų63.910%0.09732%0.322CS..EExtended strand (participates in β ladder)trans-132.4135.4169.2-58.8164.9000107.2I395 P401 E414 T425 V432 T453 A454I395-I404 HydrophobicContact CD1-CD1 3.69Å; I395-I404 HydrophobicContact CD1-CG1 3.99Å; I395-I404 HydrophobicContact CD1-CG2 3.83Å; P401-I404 HydrophobicContact CB-CD1 4.45Å; P401-I404 HydrophobicContact CB-CG1 4.1Å; P401-I404 HydrophobicContact CG-CD1 3.79Å; P401-I404 HydrophobicContact CG-CG1 4Å; I404-E414 WeakPolarHBondContact O-CA 3.47Å; I404-T425 HydrophobicContact CD1-CG2 3.95Å; I404-V432 HydrophobicContact CD1-CB 4.47Å; I404-V432 HydrophobicContact CD1-CG1 3.66Å; I404-T453 WeakPolarHBondContact CA-O 3.36Å; I404-A454 HydrophobicContact CG1-CB 4.29Å
405A94.9Very high90.8Very high2 Ų264.3 Ų64.32%0.01734%0.335CS..EExtended strand (participates in β ladder)trans-140.9138.6177.200000111.5V412 E414 T453 W455A405-V412 HydrophobicContact CB-CG1 3.97Å; A405-E414 HydrophobicContact CB-CG 3.92Å; A405-T453 PolarHBondContact N-O 3.34Å; A405-T453 PolarHBondContact O-N 3.06Å; A405-W455 HydrophobicContact CB-CH2 3.89Å; A405-W455 HydrophobicContact CB-CZ3 3.61Å
406W94.9Very high90.7Very high0 Ų066 Ų660%035%0.354CS..EExtended strand (participates in β ladder)trans-92.3132.5163.8-70.687.2000109.1I391 C393 W408 V412 L413 V423 S434 L436 N451 C452 I465I391-W406 HydrophobicContact CB-CH2 4.04Å; I391-W406 HydrophobicContact CB-CZ3 4.28Å; I391-W406 HydrophobicContact CG2-CH2 3.67Å; I391-W406 HydrophobicContact CG2-CZ3 3.86Å; C393-W406 HydrophobicContact CB-CH2 3.66Å; C393-W406 HydrophobicContact CB-CZ2 3.38Å; W406-W408 HydrophobicContact CB-CE3 4.24Å; W406-W408 HydrophobicContact CB-CZ3 3.9Å; W406-V412 CarbonylContact O-C 3.57Å; W406-V412 WeakPolarHBondContact O-CA 3.34Å; W406-L413 PolarHBondContact N-O 2.95Å; W406-L413 PolarHBondContact O-N 3.18Å; W406-V423 HydrophobicContact CB-CG2 4.4Å; W406-V423 HydrophobicContact CG-CG2 4.17Å; W406-S434 PolarHBondContact NE1-OG 3.13Å; W406-L436 HydrophobicContact CB-CD2 4.44Å; W406-L436 HydrophobicContact CD2-CB 3.71Å; W406-L436 HydrophobicContact CD2-CD2 4.13Å; W406-L436 HydrophobicContact CD2-CG 4.45Å; W406-L436 HydrophobicContact CE3-CB 4.04Å; W406-L436 HydrophobicContact CE3-CD2 3.89Å; W406-L436 HydrophobicContact CG-CB 4.09Å; W406-L436 HydrophobicContact CG-CD2 4.38Å; W406-L436 HydrophobicContact CH2-CB 4.3Å; W406-L436 HydrophobicContact CZ2-CB 4.01Å; W406-L436 HydrophobicContact CZ3-CB 4.33Å; W406-L436 HydrophobicContact CZ3-CD2 4.46Å; W406-N451 WeakPolarHBondContact CA-O 3.33Å; W406-C452 HydrophobicContact CD2-CB 4.33Å; W406-C452 HydrophobicContact CE3-CB 4.07Å; W406-C452 HydrophobicContact CH2-CB 4.05Å; W406-C452 HydrophobicContact CZ2-CB 4.28Å; W406-C452 HydrophobicContact CZ3-CB 3.93Å; W406-I465 HydrophobicContact CH2-CD1 3.76Å; W406-I465 HydrophobicContact CZ3-CD1 3.94Å
407S93.8Very high90.6Very high31 Ų3165.2 Ų65.222%0.21736%0.363CS..EExtended strand (participates in β ladder)trans-129.3138.5172.6610000111.6T411 N451S407-T411 WeakPolarHBondContact CA-O 3.29Å; S407-N451 PolarHBondContact N-O 2.87Å; S407-N451 PolarHBondContact O-N 3.36Å
408W93.3Very high90.7Very high13 Ų1367.4 Ų67.45%0.04938%0.378CS..EExtended strand (participates in β ladder)trans-151132.6176.363.898.1000109W406 E410 T411 L413 Y421 L436 T448 I449 Y450W406-W408 HydrophobicContact CB-CE3 4.24Å; W406-W408 HydrophobicContact CB-CZ3 3.9Å; W408-E410 PolarHBondContact O-N 3.24Å; W408-E410 VanDerWaalsContact O-N 3.15Å; W408-T411 PolarHBondContact N-O 2.86Å; W408-T411 PolarHBondContact NE1-OG1 3.38Å; W408-T411 PolarHBondContact O-N 3.35Å; W408-T411 PolarHBondContact O-OG1 2.94Å; W408-L413 HydrophobicContact CH2-CB 3.7Å; W408-L413 HydrophobicContact CH2-CD2 4.08Å; W408-L413 HydrophobicContact CZ3-CB 3.87Å; W408-Y421 AromaticContact CE2-CE2 3.98Å; W408-Y421 HydrophobicContact CH2-CD1 4.49Å; W408-Y421 HydrophobicContact CH2-CD2 4.35Å; W408-Y421 HydrophobicContact CH2-CG 4.06Å; W408-Y421 HydrophobicContact CZ2-CD1 4.04Å; W408-Y421 AromaticContact CZ2-CD2 3.47Å; W408-Y421 HydrophobicContact CZ2-CD2 3.47Å; W408-Y421 VanDerWaalsContact CZ2-CD2 3.47Å; W408-Y421 HydrophobicContact CZ2-CE1 4.39Å; W408-Y421 AromaticContact CZ2-CE2 3.86Å; W408-Y421 HydrophobicContact CZ2-CE2 3.86Å; W408-Y421 AromaticContact CZ2-CG 3.57Å; W408-Y421 HydrophobicContact CZ2-CG 3.57Å; W408-Y421 AromaticContact NE1-CE2 3.66Å; W408-Y421 AromaticContact NE1-CZ 3.68Å; W408-L436 HydrophobicContact CE3-CD2 4.39Å; W408-L436 HydrophobicContact CH2-CD1 4.36Å; W408-L436 HydrophobicContact CZ3-CD1 4.23Å; W408-L436 HydrophobicContact CZ3-CD2 4.42Å; W408-T448 HydrophobicContact CB-CG2 3.8Å; W408-T448 HydrophobicContact CG-CG2 4.29Å; W408-I449 WeakPolarHBondContact CB-O 3.47Å; W408-Y450 HydrophobicContact CB-CD1 3.72Å; W408-Y450 HydrophobicContact CB-CE1 4.03Å; W408-Y450 HydrophobicContact CB-CG 4.48Å; W408-Y450 HydrophobicContact CD2-CD1 4.18Å; W408-Y450 HydrophobicContact CD2-CE1 4.19Å; W408-Y450 HydrophobicContact CE3-CD1 4.35Å; W408-Y450 AromaticContact CG-CD1 3.91Å; W408-Y450 HydrophobicContact CG-CD1 3.91Å; W408-Y450 AromaticContact CG-CE1 3.86Å; W408-Y450 HydrophobicContact CG-CE1 3.86Å
409K86.4Confident90.6Very high160 Ų16068.6 Ų68.670%0.69640%0.401SS*.THydrogen-bonded Turntrans53.4-115.9-173.2-58.6172-176.3165.60110.5T448K409-T448 VanDerWaalsContact CE-OG1 3.23Å; K409-T448 WeakPolarHBondContact CE-OG1 3.41Å; K409-T448 PolarHBondContact NZ-OG1 3.04Å
410E85.4Confident90.7Very high195 Ų19570.3 Ų70.391%0.91140%0.403SS*.THydrogen-bonded Turntrans-103.4-0.7177.9-62.4179.9169.800113.1W408W408-E410 PolarHBondContact O-N 3.24Å; W408-E410 VanDerWaalsContact O-N 3.15Å
411T88.2Confident90.9Very high65 Ų6567 Ų6740%0.39938%0.378SS..EExtended strand (participates in β ladder)trans-98.8138.6-17637.60000112.3S407 W408S407-T411 WeakPolarHBondContact CA-O 3.29Å; W408-T411 PolarHBondContact N-O 2.86Å; W408-T411 PolarHBondContact NE1-OG1 3.38Å; W408-T411 PolarHBondContact O-N 3.35Å; W408-T411 PolarHBondContact O-OG1 2.94Å
412V93Very high91Very high90 Ų9067.4 Ų67.455%0.54538%0.38SS..EExtended strand (participates in β ladder)trans-128.9135.7176.2-174.40000108.8A405 W406A405-V412 HydrophobicContact CB-CG1 3.97Å; W406-V412 CarbonylContact O-C 3.57Å; W406-V412 WeakPolarHBondContact O-CA 3.34Å
413L93.3Very high91.1Very high20 Ų2061.7 Ų61.711%0.10535%0.35CS..EExtended strand (participates in β ladder)trans-141.2122-179.9-175.360000110.6W406 W408 S415 V423W406-L413 PolarHBondContact N-O 2.95Å; W406-L413 PolarHBondContact O-N 3.18Å; W408-L413 HydrophobicContact CH2-CB 3.7Å; W408-L413 HydrophobicContact CH2-CD2 4.08Å; W408-L413 HydrophobicContact CZ3-CB 3.87Å; L413-S415 WeakPolarHBondContact CD1-O 3.19Å; L413-V423 HydrophobicContact CB-CG2 4.27Å; L413-V423 HydrophobicContact CD2-CB 4.3Å; L413-V423 HydrophobicContact CD2-CG2 3.67Å; L413-V423 HydrophobicContact CG-CB 4.22Å; L413-V423 HydrophobicContact CG-CG2 3.76Å
414E89.7Confident91.1Very high85 Ų8562.3 Ų62.340%0.39736%0.357SS..SBendtrans-96.2-41-177.1-59.7-178.1177.500112.3R403 I404 A405 V423R403-E414 IonicContact CZ-OE1 3.99Å; R403-E414 IonicContact NE-OE1 3.42Å; R403-E414 PolarHBondContact NE-OE1 3.2Å; R403-E414 IonicContact NH2-OE1 2.83Å; R403-E414 PolarHBondContact NH2-OE1 3.02Å; I404-E414 WeakPolarHBondContact O-CA 3.47Å; A405-E414 HydrophobicContact CB-CG 3.92Å; E414-V423 WeakPolarHBondContact O-CG1 3.49Å
415S88.6Confident91Very high91 Ų9164.2 Ų64.264%0.63637%0.37SS*.SBendtrans-158.9160.5176.559.50000110.8L413L413-S415 WeakPolarHBondContact CD1-O 3.19Å
416G88.5Confident90.9Very high38 Ų3868.2 Ų68.239%0.39239%0.394SS..EExtended strand (participates in β ladder)trans83-156.9174.800000113.8T422 V423G416-T422 CarbonylContact O-C 3.55Å; G416-T422 WeakPolarHBondContact O-CA 3.3Å; G416-V423 PolarHBondContact N-O 3.15Å; G416-V423 PolarHBondContact O-N 2.75Å
417T89.4Confident90.6Very high107 Ų10774.3 Ų74.366%0.65643%0.427SS*.EExtended strand (participates in β ladder)trans-112.9130-170.6-52.70000111.5Y421 T422T417-Y421 CarbonylContact C-O 3.57Å; T417-Y421 WeakPolarHBondContact CA-O 3.46Å; T417-T422 HydrophobicContact CG2-CG2 3.7Å; T417-T422 WeakPolarHBondContact OG1-CG2 3.1Å
418S88.2Confident90.3Very high64 Ų6475.8 Ų75.845%0.44843%0.434SS..EExtended strand (participates in β ladder)trans-132.3102.5169.3-170.20000110.3R420 Y421S418-R420 PolarHBondContact O-N 3.15Å; S418-R420 VanDerWaalsContact O-N 3.17Å; S418-Y421 PolarHBondContact N-O 3.43Å; S418-Y421 PolarHBondContact O-N 2.8Å
419G87.3Confident89.5Confident76 Ų7685 Ų8578%0.78448%0.478SS*.THydrogen-bonded Turntrans59.6-114.7-176.200000112.6
420R89.3Confident88.9Confident68 Ų6884 Ų8426%0.25748%0.475SS..THydrogen-bonded Turntrans-85.9-3.5178.863.7-163.7-92.6105.8-3.3114.2S418 M438 S439 N440 V442 D445S418-R420 PolarHBondContact O-N 3.15Å; S418-R420 VanDerWaalsContact O-N 3.17Å; R420-M438 WeakPolarHBondContact O-CA 3.33Å; R420-S439 PolarHBondContact O-N 3.05Å; R420-S439 PolarHBondContact O-OG 3.17Å; R420-N440 PolarHBondContact NH1-O 3.47Å; R420-N440 PolarHBondContact NH2-O 2.77Å; R420-V442 VanDerWaalsContact NH2-N 3.19Å; R420-D445 IonicContact CZ-OD2 2.75Å; R420-D445 IonicContact NE-OD2 3.73Å; R420-D445 IonicContact NH2-OD1 3.49Å; R420-D445 IonicContact NH2-OD2 3.79Å; R420-D445 PolarHBondContact NH2-OD2 3.46Å
421Y92.8Very high88.9Confident26 Ų2675.6 Ų75.610%0.10244%0.441CS..EExtended strand (participates in β ladder)trans-109.6140.9-174.8-59.4-80.7000111.3W408 T417 S418 L436 T437 M438 D445 Y450W408-Y421 AromaticContact CE2-CE2 3.98Å; W408-Y421 HydrophobicContact CH2-CD1 4.49Å; W408-Y421 HydrophobicContact CH2-CD2 4.35Å; W408-Y421 HydrophobicContact CH2-CG 4.06Å; W408-Y421 HydrophobicContact CZ2-CD1 4.04Å; W408-Y421 AromaticContact CZ2-CD2 3.47Å; W408-Y421 HydrophobicContact CZ2-CD2 3.47Å; W408-Y421 VanDerWaalsContact CZ2-CD2 3.47Å; W408-Y421 HydrophobicContact CZ2-CE1 4.39Å; W408-Y421 AromaticContact CZ2-CE2 3.86Å; W408-Y421 HydrophobicContact CZ2-CE2 3.86Å; W408-Y421 AromaticContact CZ2-CG 3.57Å; W408-Y421 HydrophobicContact CZ2-CG 3.57Å; W408-Y421 AromaticContact NE1-CE2 3.66Å; W408-Y421 AromaticContact NE1-CZ 3.68Å; T417-Y421 CarbonylContact C-O 3.57Å; T417-Y421 WeakPolarHBondContact CA-O 3.46Å; S418-Y421 PolarHBondContact N-O 3.43Å; S418-Y421 PolarHBondContact O-N 2.8Å; Y421-L436 HydrophobicContact CD1-CD1 4.14Å; Y421-L436 HydrophobicContact CD1-CG 4.49Å; Y421-T437 CarbonylContact C-O 3.55Å; Y421-T437 WeakPolarHBondContact CA-O 3.13Å; Y421-M438 HydrophobicContact CD1-CG 3.73Å; Y421-M438 HydrophobicContact CE1-CG 3.69Å; Y421-D445 PolarHBondContact OH-OD1 3.48Å; Y421-Y450 HydrophobicContact CE1-CE1 4.13Å
422T93.4Very high89Confident33 Ų3373.1 Ų73.120%0.20243%0.426CS..EExtended strand (participates in β ladder)trans-137.1127.7-179.6390000109.1G416 T417 L436 T437G416-T422 CarbonylContact O-C 3.55Å; G416-T422 WeakPolarHBondContact O-CA 3.3Å; T417-T422 HydrophobicContact CG2-CG2 3.7Å; T417-T422 WeakPolarHBondContact OG1-CG2 3.1Å; T422-L436 CarbonylContact O-C 3.55Å; T422-L436 WeakPolarHBondContact O-CA 3.27Å; T422-T437 PolarHBondContact N-O 2.8Å; T422-T437 PolarHBondContact O-N 3.28Å; T422-T437 WeakPolarHBondContact OG1-CB 3.26Å; T422-T437 WeakPolarHBondContact OG1-CG2 3.27Å; T422-T437 PolarHBondContact OG1-O 3.08Å
423V95.6Very high89Confident4 Ų470.6 Ų70.62%0.02441%0.409CS..EExtended strand (participates in β ladder)trans-114.2120.9178.2173.30000109.8W406 L413 E414 G416 T435 L436W406-V423 HydrophobicContact CB-CG2 4.4Å; W406-V423 HydrophobicContact CG-CG2 4.17Å; L413-V423 HydrophobicContact CB-CG2 4.27Å; L413-V423 HydrophobicContact CD2-CB 4.3Å; L413-V423 HydrophobicContact CD2-CG2 3.67Å; L413-V423 HydrophobicContact CG-CB 4.22Å; L413-V423 HydrophobicContact CG-CG2 3.76Å; E414-V423 WeakPolarHBondContact O-CG1 3.49Å; G416-V423 PolarHBondContact N-O 3.15Å; G416-V423 PolarHBondContact O-N 2.75Å; V423-T435 WeakPolarHBondContact CA-O 3.25Å; V423-L436 HydrophobicContact CG2-CB 4.47Å; V423-L436 HydrophobicContact CG2-CD1 3.53Å
424E92.8Very high89.1Confident122 Ų12269.7 Ų69.757%0.5740%0.404SS*.EExtended strand (participates in β ladder)trans-123.7138.9176.7-66.5175.1178.400109S434 T435E424-S434 CarbonylContact O-C 3.58Å; E424-T435 PolarHBondContact N-O 2.92Å; E424-T435 VanDerWaalsContact N-O 3.11Å; E424-T435 PolarHBondContact O-N 2.53Å
425T93.2Very high89.3Confident59 Ų5966.2 Ų66.236%0.36239%0.389SS..EExtended strand (participates in β ladder)trans-125.1130.3-178.5-62.80000109.6I404 V432 I433 S434I404-T425 HydrophobicContact CD1-CG2 3.95Å; T425-V432 HydrophobicContact CG2-CG1 3.26Å; T425-I433 WeakPolarHBondContact CA-O 3.3Å; T425-S434 PolarHBondContact OG1-OG 3.48Å
426V91.8Very high89.6Confident85 Ų8561.9 Ų61.952%0.51536%0.359SS..EExtended strand (participates in β ladder)trans-124.3124.9-176.6-178.30000109I433V426-I433 PolarHBondContact N-O 3.07Å; V426-I433 PolarHBondContact O-N 3.19Å
427N89.7Confident89.8Confident129 Ų12960.2 Ų60.269%0.6934%0.341SS*.EExtended strand (participates in β ladder)trans-79.5137.8172.8-64.2-8.9000109.6
428T86.1Confident90Very high61 Ų6155.1 Ų55.137%0.37431%0.31SS..EExtended strand (participates in β ladder)trans-130.2168178.265.30000110.1E430 G431 I433T428-E430 PolarHBondContact O-N 2.7Å; T428-G431 CarbonylContact C-O 3.57Å; T428-G431 PolarHBondContact N-O 2.84Å; T428-G431 PolarHBondContact O-N 3.3Å; T428-G431 PolarHBondContact OG1-N 3.18Å; T428-G431 PolarHBondContact OG1-O 3.44Å; T428-I433 HydrophobicContact CG2-CD1 3.67Å; T428-I433 HydrophobicContact CG2-CG1 3.99Å
429E77.9Confident90Very high207 Ų20755.8 Ų55.897%0.96732%0.315SS*.THydrogen-bonded Turntrans-64.8-25.1-179.9-62-177.1-179.200113.1
430E73.3Confident90.2Very high138 Ų13855.6 Ų55.665%0.64530%0.296SS*.THydrogen-bonded Turntrans-94.1-5.4178.1-68.8-166.2-155.700114.5R396 T428R396-E430 WeakPolarHBondContact CG-O 3.49Å; R396-E430 IonicContact CZ-OE2 3.78Å; R396-E430 IonicContact NE-OE2 3.75Å; R396-E430 IonicContact NH2-OE2 3.06Å; R396-E430 PolarHBondContact NH2-OE2 2.81Å; T428-E430 PolarHBondContact O-N 2.7Å
431G84.4Confident90.2Very high19 Ų1952.4 Ų52.420%0.19628%0.284CS..EExtended strand (participates in β ladder)trans150.4-143.8-176.300000113.8T428T428-G431 CarbonylContact C-O 3.57Å; T428-G431 PolarHBondContact N-O 2.84Å; T428-G431 PolarHBondContact O-N 3.3Å; T428-G431 PolarHBondContact OG1-N 3.18Å; T428-G431 PolarHBondContact OG1-O 3.44Å
432V91.8Very high90.1Very high14 Ų1453.7 Ų53.79%0.08529%0.294CS..EExtended strand (participates in β ladder)trans-126.2132-177.2-177.50000109.7I395 P401 I404 T425I395-V432 HydrophobicContact CB-CB 4.48Å; I395-V432 WeakPolarHBondContact CB-O 3.35Å; I395-V432 PolarHBondContact N-O 2.92Å; I395-V432 PolarHBondContact O-N 2.92Å; P401-V432 HydrophobicContact CG-CG2 4.12Å; I404-V432 HydrophobicContact CD1-CB 4.47Å; I404-V432 HydrophobicContact CD1-CG1 3.66Å; T425-V432 HydrophobicContact CG2-CG1 3.26Å
433I92.8Very high89.8Confident37 Ų3755.7 Ų55.719%0.1931%0.307CS..EExtended strand (participates in β ladder)trans-109.3110.5175.5-53.3177.5000108.5K392 C393 F394 T425 V426 T428K392-I433 HydrophobicContact CB-CG2 4.45Å; C393-I433 WeakPolarHBondContact O-CA 3.23Å; F394-I433 HydrophobicContact CD1-CD1 3.85Å; F394-I433 HydrophobicContact CD1-CG1 3.74Å; F394-I433 HydrophobicContact CD1-CG2 4.41Å; F394-I433 HydrophobicContact CE1-CD1 3.6Å; F394-I433 HydrophobicContact CE1-CG1 3.99Å; F394-I433 HydrophobicContact CE1-CG2 4.3Å; T425-I433 WeakPolarHBondContact CA-O 3.3Å; V426-I433 PolarHBondContact N-O 3.07Å; V426-I433 PolarHBondContact O-N 3.19Å; T428-I433 HydrophobicContact CG2-CD1 3.67Å; T428-I433 HydrophobicContact CG2-CG1 3.99Å
434S94.8Very high89.5Confident0 Ų057.7 Ų57.70%032%0.324CS..EExtended strand (participates in β ladder)trans-93.9135.2167.4-168.40000109.8K392 C393 W406 E424 T425K392-S434 CarbonylContact C-O 3.57Å; C393-S434 PolarHBondContact N-O 3.33Å; C393-S434 PolarHBondContact O-N 3.46Å; W406-S434 PolarHBondContact NE1-OG 3.13Å; E424-S434 CarbonylContact O-C 3.58Å; T425-S434 PolarHBondContact OG1-OG 3.48Å
435T94.3Very high89.3Confident13 Ų1352 Ų528%0.0830%0.298CS..EExtended strand (participates in β ladder)trans-124.6114.6-177.6-54.30000110.2Q390 I391 K392 V423 E424Q390-T435 HydrophobicContact CB-CG2 4.02Å; Q390-T435 HydrophobicContact CG-CG2 4.32Å; I391-T435 CarbonylContact O-C 3.49Å; I391-T435 WeakPolarHBondContact O-CA 3.31Å; K392-T435 HydrophobicContact CG-CG2 3.99Å; V423-T435 WeakPolarHBondContact CA-O 3.25Å; E424-T435 PolarHBondContact N-O 2.92Å; E424-T435 VanDerWaalsContact N-O 3.11Å; E424-T435 PolarHBondContact O-N 2.53Å
436L93.6Very high89.1Confident0 Ų051 Ų510%029%0.289CS..EExtended strand (participates in β ladder)trans-86.6110.4168179.166.9000108.7Q390 I391 W406 W408 Y421 T422 V423 M438 Y450Q390-L436 CarbonylContact C-O 3.6Å; Q390-L436 WeakPolarHBondContact CA-O 3.39Å; I391-L436 HydrophobicContact CB-CB 4.42Å; I391-L436 HydrophobicContact CD1-CD2 4.48Å; I391-L436 PolarHBondContact N-O 3.07Å; I391-L436 PolarHBondContact O-N 3.31Å; W406-L436 HydrophobicContact CB-CD2 4.44Å; W406-L436 HydrophobicContact CD2-CB 3.71Å; W406-L436 HydrophobicContact CD2-CD2 4.13Å; W406-L436 HydrophobicContact CD2-CG 4.45Å; W406-L436 HydrophobicContact CE3-CB 4.04Å; W406-L436 HydrophobicContact CE3-CD2 3.89Å; W406-L436 HydrophobicContact CG-CB 4.09Å; W406-L436 HydrophobicContact CG-CD2 4.38Å; W406-L436 HydrophobicContact CH2-CB 4.3Å; W406-L436 HydrophobicContact CZ2-CB 4.01Å; W406-L436 HydrophobicContact CZ3-CB 4.33Å; W406-L436 HydrophobicContact CZ3-CD2 4.46Å; W408-L436 HydrophobicContact CE3-CD2 4.39Å; W408-L436 HydrophobicContact CH2-CD1 4.36Å; W408-L436 HydrophobicContact CZ3-CD1 4.23Å; W408-L436 HydrophobicContact CZ3-CD2 4.42Å; Y421-L436 HydrophobicContact CD1-CD1 4.14Å; Y421-L436 HydrophobicContact CD1-CG 4.49Å; T422-L436 CarbonylContact O-C 3.55Å; T422-L436 WeakPolarHBondContact O-CA 3.27Å; V423-L436 HydrophobicContact CG2-CB 4.47Å; V423-L436 HydrophobicContact CG2-CD1 3.53Å; L436-M438 HydrophobicContact CG-SD 4.32Å; L436-Y450 HydrophobicContact CD2-CD1 3.52Å; L436-Y450 HydrophobicContact CD2-CE1 3.91Å; L436-Y450 HydrophobicContact CD2-CG 4.31Å
437T93Very high88.9Confident3 Ų355.2 Ų55.22%0.01830%0.303CS..EExtended strand (participates in β ladder)trans-103.8129.7-179.9-67.60000110.3K388 G389 Q390 Y421 T422K388-T437 HydrophobicContact CD-CG2 4.34Å; K388-T437 HydrophobicContact CG-CG2 4.21Å; G389-T437 CarbonylContact O-C 3.54Å; G389-T437 WeakPolarHBondContact O-CA 3.31Å; Q390-T437 HydrophobicContact CG-CG2 4.17Å; Q390-T437 WeakPolarHBondContact CG-OG1 3.33Å; Q390-T437 PolarHBondContact NE2-OG1 3.21Å; Y421-T437 CarbonylContact C-O 3.55Å; Y421-T437 WeakPolarHBondContact CA-O 3.13Å; T422-T437 PolarHBondContact N-O 2.8Å; T422-T437 PolarHBondContact O-N 3.28Å; T422-T437 WeakPolarHBondContact OG1-CB 3.26Å; T422-T437 WeakPolarHBondContact OG1-CG2 3.27Å; T422-T437 PolarHBondContact OG1-O 3.08Å
438M93.6Very high89Confident0 Ų049.2 Ų49.20%027%0.271CS..EExtended strand (participates in β ladder)trans-106.8126.1177.6-5881.777.100109.5K388 G389 I391 R420 Y421 L436 N440 I441 L467K388-M438 CarbonylContact C-O 3.42Å; K388-M438 WeakPolarHBondContact CA-O 3.43Å; K388-M438 WeakPolarHBondContact CG-O 3.4Å; G389-M438 PolarHBondContact N-O 2.95Å; G389-M438 PolarHBondContact O-N 2.82Å; I391-M438 HydrophobicContact CD1-CE 4.07Å; I391-M438 HydrophobicContact CD1-SD 4.29Å; I391-M438 HydrophobicContact CG1-CE 3.82Å; I391-M438 HydrophobicContact CG1-SD 4.03Å; R420-M438 WeakPolarHBondContact O-CA 3.33Å; Y421-M438 HydrophobicContact CD1-CG 3.73Å; Y421-M438 HydrophobicContact CE1-CG 3.69Å; L436-M438 HydrophobicContact CG-SD 4.32Å; M438-N440 VanDerWaalsContact C-N 3.29Å; M438-N440 PolarHBondContact O-N 2.83Å; M438-I441 HydrophobicContact CB-CG1 4.42Å; M438-I441 HydrophobicContact CE-CD1 4.4Å; M438-I441 HydrophobicContact CE-CG1 4.14Å; M438-L467 HydrophobicContact CE-CD1 4.08Å; M438-L467 HydrophobicContact CE-CD2 3.84Å
439S89.1Confident89.3Confident78 Ų7850.1 Ų50.155%0.54527%0.272SS..SBendtrans-67.5-25.5-173.958.30000114.8R420R420-S439 PolarHBondContact O-N 3.05Å; R420-S439 PolarHBondContact O-OG 3.17Å
440N90.7Very high90Very high72 Ų7240.2 Ų40.239%0.38523%0.226SC..SBendtrans-157.7129.7175168.1-17.9000106.1G386 E387 R420 M438G386-N440 WeakPolarHBondContact CA-OD1 3.23Å; G386-N440 PolarHBondContact O-OD1 3Å; E387-N440 CarbonylContact O-C 3.44Å; E387-N440 VanDerWaalsContact O-CA 3.31Å; E387-N440 WeakPolarHBondContact O-CA 3.39Å; R420-N440 PolarHBondContact NH1-O 3.47Å; R420-N440 PolarHBondContact NH2-O 2.77Å; M438-N440 VanDerWaalsContact C-N 3.29Å; M438-N440 PolarHBondContact O-N 2.83Å
441I90.1Very high91Very high1 Ų136 Ų361%0.00521%0.208CC..  trans-86.7133.8178.2-66.9160.6000111.8A383 L384 H385 G386 E387 M438 D445 F446 L467A383-I441 HydrophobicContact CB-CD1 3.3Å; L384-I441 VanDerWaalsContact O-CD1 3.25Å; L384-I441 WeakPolarHBondContact O-CD1 3.24Å; H385-I441 PolarHBondContact CD2-O 2.87Å; G386-I441 PolarHBondContact N-O 3.39Å; E387-I441 PolarHBondContact O-N 2.86Å; M438-I441 HydrophobicContact CB-CG1 4.42Å; M438-I441 HydrophobicContact CE-CD1 4.4Å; M438-I441 HydrophobicContact CE-CG1 4.14Å; I441-D445 HydrophobicContact CG2-CB 4.18Å; I441-F446 HydrophobicContact CG2-CD2 4.49Å; I441-F446 HydrophobicContact CG2-CE1 3.95Å; I441-F446 HydrophobicContact CG2-CE2 3.78Å; I441-F446 HydrophobicContact CG2-CZ 3.47Å; I441-F446 VanDerWaalsContact CG2-CZ 3.47Å; I441-L467 HydrophobicContact CD1-CD2 4.12Å; I441-L467 HydrophobicContact CG1-CD2 4.32Å; I441-L467 HydrophobicContact CG2-CD2 4.03Å
442V90.8Very high91.5Very high52 Ų5235.1 Ų35.132%0.31520%0.199SC..  trans-111.8162.3172.8-62.10000112R420 A444 D445R420-V442 VanDerWaalsContact NH2-N 3.19Å; V442-A444 HydrophobicContact CG2-CB 4.15Å; V442-A444 PolarHBondContact O-N 2.88Å; V442-D445 PolarHBondContact N-OD2 2.81Å; V442-D445 WeakPolarHBondContact O-CB 3.41Å; V442-D445 PolarHBondContact O-N 2.89Å
443P87.3Confident91.7Very high75 Ų7535 Ų3549%0.48720%0.198SC..THydrogen-bonded Turntrans-56.8-27.9-178.1-28.937.8000115H385 D445H385-P443 WeakPolarHBondContact NE2-CD 3.5Å; P443-D445 VanDerWaalsContact C-N 3.27Å; P443-D445 PolarHBondContact O-N 2.88Å
444A87.7Confident91.8Very high46 Ų4633.2 Ų33.238%0.3819%0.189SC..THydrogen-bonded Turntrans-70.7-18.6176.700000113.9V442 Q447 T448V442-A444 HydrophobicContact CG2-CB 4.15Å; V442-A444 PolarHBondContact O-N 2.88Å; A444-Q447 PolarHBondContact O-N 3.15Å; A444-T448 PolarHBondContact O-N 3.33Å; A444-T448 PolarHBondContact O-OG1 2.88Å
445D89.9Confident91.8Very high4 Ų437 Ų372%0.02120%0.203CC..THydrogen-bonded Turntrans-75.2-36.3178.6-60.6-24.4000110.8R420 Y421 I441 V442 P443 Q447 T448 Y450 L467R420-D445 IonicContact CZ-OD2 2.75Å; R420-D445 IonicContact NE-OD2 3.73Å; R420-D445 IonicContact NH2-OD1 3.49Å; R420-D445 IonicContact NH2-OD2 3.79Å; R420-D445 PolarHBondContact NH2-OD2 3.46Å; Y421-D445 PolarHBondContact OH-OD1 3.48Å; I441-D445 HydrophobicContact CG2-CB 4.18Å; V442-D445 PolarHBondContact N-OD2 2.81Å; V442-D445 WeakPolarHBondContact O-CB 3.41Å; V442-D445 PolarHBondContact O-N 2.89Å; P443-D445 VanDerWaalsContact C-N 3.27Å; P443-D445 PolarHBondContact O-N 2.88Å; D445-Q447 PolarHBondContact O-N 3.38Å; D445-T448 WeakPolarHBondContact O-CB 3.22Å; D445-T448 PolarHBondContact O-N 3.02Å; D445-Y450 WeakPolarHBondContact CB-OH 3.26Å; D445-L467 HydrophobicContact CB-CD2 4.43Å
446F89.6Confident91.7Very high37 Ų3736.9 Ų36.916%0.16220%0.202CC..THydrogen-bonded Turntrans-65.6-20.6173.3-57.4-60.5000113.7H385 I441 L467 E469H385-F446 HydrophobicContact CB-CE2 3.95Å; H385-F446 HydrophobicContact CB-CZ 4.14Å; I441-F446 HydrophobicContact CG2-CD2 4.49Å; I441-F446 HydrophobicContact CG2-CE1 3.95Å; I441-F446 HydrophobicContact CG2-CE2 3.78Å; I441-F446 HydrophobicContact CG2-CZ 3.47Å; I441-F446 VanDerWaalsContact CG2-CZ 3.47Å; F446-L467 WeakPolarHBondContact CA-O 3.31Å; F446-L467 HydrophobicContact CD1-CB 4.06Å; F446-L467 HydrophobicContact CD1-CD2 3.67Å; F446-L467 HydrophobicContact CD1-CG 3.84Å; F446-L467 HydrophobicContact CE1-CD2 3.58Å; F446-L467 HydrophobicContact CE1-CG 3.93Å; F446-E469 HydrophobicContact CD1-CB 4.11Å; F446-E469 VanDerWaalsContact CD1-N 3.34Å; F446-E469 HydrophobicContact CD2-CB 4.2Å; F446-E469 HydrophobicContact CE1-CB 3.87Å; F446-E469 HydrophobicContact CE1-CG 4.4Å; F446-E469 HydrophobicContact CE2-CB 3.96Å; F446-E469 HydrophobicContact CE2-CG 3.97Å; F446-E469 HydrophobicContact CG-CB 4.28Å; F446-E469 HydrophobicContact CZ-CB 3.78Å; F446-E469 HydrophobicContact CZ-CG 3.84Å
447Q87.3Confident91.6Very high173 Ų17341 Ų4181%0.80823%0.232SC*.THydrogen-bonded Turntrans-95.7-5172.8-60.7-177200112.6A444 D445A444-Q447 PolarHBondContact O-N 3.15Å; D445-Q447 PolarHBondContact O-N 3.38Å
448T90.8Very high91.4Very high4 Ų444.8 Ų44.83%0.02525%0.248CC..  trans-88.3136.5-179.3-64.30000110.1W408 K409 A444 D445 Y450W408-T448 HydrophobicContact CB-CG2 3.8Å; W408-T448 HydrophobicContact CG-CG2 4.29Å; K409-T448 VanDerWaalsContact CE-OG1 3.23Å; K409-T448 WeakPolarHBondContact CE-OG1 3.41Å; K409-T448 PolarHBondContact NZ-OG1 3.04Å; A444-T448 PolarHBondContact O-N 3.33Å; A444-T448 PolarHBondContact O-OG1 2.88Å; D445-T448 WeakPolarHBondContact O-CB 3.22Å; D445-T448 PolarHBondContact O-N 3.02Å; T448-Y450 HydrophobicContact CG2-CD1 4.35Å; T448-Y450 HydrophobicContact CG2-CD2 4.38Å; T448-Y450 HydrophobicContact CG2-CE1 3.87Å; T448-Y450 HydrophobicContact CG2-CE2 3.91Å
449I91.9Very high91.3Very high79 Ų7946.3 Ų46.341%0.40526%0.263SS..EExtended strand (participates in β ladder)trans-94.2124.4174.3-59.1178.8000107.4W408 I464W408-I449 WeakPolarHBondContact CB-O 3.47Å; I449-I464 HydrophobicContact CG2-CG2 3.37Å
450Y93.6Very high91.5Very high0 Ų045.7 Ų45.70%026%0.259CS..EExtended strand (participates in β ladder)trans-108.5116.7178.3-59.4-87.3000109I391 W408 Y421 L436 D445 T448 I465I391-Y450 HydrophobicContact CD1-CD1 4.25Å; I391-Y450 HydrophobicContact CD1-CD2 3.44Å; I391-Y450 VanDerWaalsContact CD1-CD2 3.44Å; I391-Y450 HydrophobicContact CD1-CE2 3.74Å; I391-Y450 HydrophobicContact CD1-CG 3.72Å; W408-Y450 HydrophobicContact CB-CD1 3.72Å; W408-Y450 HydrophobicContact CB-CE1 4.03Å; W408-Y450 HydrophobicContact CB-CG 4.48Å; W408-Y450 HydrophobicContact CD2-CD1 4.18Å; W408-Y450 HydrophobicContact CD2-CE1 4.19Å; W408-Y450 HydrophobicContact CE3-CD1 4.35Å; W408-Y450 AromaticContact CG-CD1 3.91Å; W408-Y450 HydrophobicContact CG-CD1 3.91Å; W408-Y450 AromaticContact CG-CE1 3.86Å; W408-Y450 HydrophobicContact CG-CE1 3.86Å; Y421-Y450 HydrophobicContact CE1-CE1 4.13Å; L436-Y450 HydrophobicContact CD2-CD1 3.52Å; L436-Y450 HydrophobicContact CD2-CE1 3.91Å; L436-Y450 HydrophobicContact CD2-CG 4.31Å; D445-Y450 WeakPolarHBondContact CB-OH 3.26Å; T448-Y450 HydrophobicContact CG2-CD1 4.35Å; T448-Y450 HydrophobicContact CG2-CD2 4.38Å; T448-Y450 HydrophobicContact CG2-CE1 3.87Å; T448-Y450 HydrophobicContact CG2-CE2 3.91Å; Y450-I465 PolarHBondContact N-O 2.73Å; Y450-I465 PolarHBondContact O-N 2.83Å
451N94.5Very high91.6Very high49 Ų4944.6 Ų44.626%0.26225%0.253SS..EExtended strand (participates in β ladder)trans-95.8121.8174.9-58.6-23.9000108.1W406 S407 T462W406-N451 WeakPolarHBondContact CA-O 3.33Å; S407-N451 PolarHBondContact N-O 2.87Å; S407-N451 PolarHBondContact O-N 3.36Å; N451-T462 HydrophobicContact CB-CG2 3.94Å
452C94.8Very high91.8Very high0 Ų047.4 Ų47.40%027%0.27CS..EExtended strand (participates in β ladder)trans-95.1117.5165.9175.70000107.8I375 C393 W406 T462 E463 I465I375-C452 WeakPolarHBondContact CD1-O 3.3Å; C393-C452 HydrophobicContact CB-CB 3.68Å; C393-C452 WeakPolarHBondContact CB-SG 3.41Å; C393-C452 WeakPolarHBondContact SG-CB 3.45Å; C393-C452 CovalentContact SG-SG 2.03Å; C393-C452 PolarHBondContact SG-SG 2.85Å; W406-C452 HydrophobicContact CD2-CB 4.33Å; W406-C452 HydrophobicContact CE3-CB 4.07Å; W406-C452 HydrophobicContact CH2-CB 4.05Å; W406-C452 HydrophobicContact CZ2-CB 4.28Å; W406-C452 HydrophobicContact CZ3-CB 3.93Å; C452-T462 VanDerWaalsContact O-CA 3.31Å; C452-T462 WeakPolarHBondContact O-CA 3.48Å; C452-E463 PolarHBondContact N-O 3.14Å; C452-E463 PolarHBondContact O-N 2.85Å; C452-I465 HydrophobicContact CB-CD1 4.3Å
453T94.9Very high91.9Very high12 Ų1246.7 Ų46.77%0.07426%0.263CS..EExtended strand (participates in β ladder)trans-116134.4176.2-54.70000110.2I404 A405 W455 D461 T462I404-T453 WeakPolarHBondContact CA-O 3.36Å; A405-T453 PolarHBondContact N-O 3.34Å; A405-T453 PolarHBondContact O-N 3.06Å; T453-W455 HydrophobicContact CG2-CD2 3.9Å; T453-W455 HydrophobicContact CG2-CE3 3.93Å; T453-W455 HydrophobicContact CG2-CH2 3.32Å; T453-W455 HydrophobicContact CG2-CZ2 3.25Å; T453-W455 HydrophobicContact CG2-CZ3 3.66Å; T453-W455 WeakPolarHBondContact O-CZ3 3.42Å; T453-D461 WeakPolarHBondContact CA-O 3.35Å; T453-D461 WeakPolarHBondContact CG2-O 3.47Å; T453-T462 WeakPolarHBondContact CB-OG1 3.39Å; T453-T462 WeakPolarHBondContact CG2-OG1 3.47Å; T453-T462 VanDerWaalsContact OG1-CG2 3.27Å; T453-T462 WeakPolarHBondContact OG1-CG2 3.34Å; T453-T462 PolarHBondContact OG1-OG1 3.4Å
454A95.3Very high92.2Very high0 Ų047 Ų470%026%0.26CS..EExtended strand (participates in β ladder)trans-120.8144.3172.200000110.1P373 I375 I395 P401 I404 S460 D461P373-A454 HydrophobicContact CB-CB 3.88Å; P373-A454 HydrophobicContact CG-CB 4.08Å; I375-A454 HydrophobicContact CD1-CB 4.45Å; I395-A454 HydrophobicContact CD1-CB 4.27Å; I395-A454 HydrophobicContact CG1-CB 4.31Å; I395-A454 HydrophobicContact CG2-CB 3.72Å; P401-A454 HydrophobicContact CB-CB 4.48Å; I404-A454 HydrophobicContact CG1-CB 4.29Å; A454-S460 WeakPolarHBondContact O-CA 3.46Å; A454-S460 WeakPolarHBondContact O-CB 3.11Å; A454-D461 PolarHBondContact N-O 3.42Å; A454-D461 PolarHBondContact O-N 2.79Å
455W94.3Very high92.5Very high78 Ų7844.8 Ų44.830%0.29524%0.242SC..EExtended strand (participates in β ladder)trans-125.4145.2177.4-62.8-101.8000110.5P401 D402 R403 A405 T453 G459P401-W455 CarbonylContact C-O 3.5Å; P401-W455 VanDerWaalsContact CA-O 3.24Å; P401-W455 WeakPolarHBondContact CA-O 3.41Å; P401-W455 WeakPolarHBondContact CB-O 3.36Å; D402-W455 PolarHBondContact N-O 2.83Å; R403-W455 HydrophobicContact CB-CB 4.31Å; R403-W455 HydrophobicContact CB-CE3 3.94Å; R403-W455 HydrophobicContact CG-CE3 3.8Å; R403-W455 HydrophobicContact CG-CZ3 4.1Å; R403-W455 PolarHBondContact N-O 2.78Å; R403-W455 PolarHBondContact O-N 2.9Å; A405-W455 HydrophobicContact CB-CH2 3.89Å; A405-W455 HydrophobicContact CB-CZ3 3.61Å; T453-W455 HydrophobicContact CG2-CD2 3.9Å; T453-W455 HydrophobicContact CG2-CE3 3.93Å; T453-W455 HydrophobicContact CG2-CH2 3.32Å; T453-W455 HydrophobicContact CG2-CZ2 3.25Å; T453-W455 HydrophobicContact CG2-CZ3 3.66Å; T453-W455 WeakPolarHBondContact O-CZ3 3.42Å; W455-G459 WeakPolarHBondContact CA-O 3.42Å
456N93.5Very high92.6Very high11 Ų1151.4 Ų51.46%0.05927%0.267CS..EExtended strand (participates in β ladder)trans-140.4-176.9162.575.93.2000110.4G371 P373 S397 P399 D402 F458 G459G371-N456 PolarHBondContact O-ND2 3.43Å; P373-N456 HydrophobicContact CG-CB 4.19Å; S397-N456 PolarHBondContact OG-ND2 2.86Å; P399-N456 PolarHBondContact O-ND2 2.86Å; D402-N456 VanDerWaalsContact OD2-C 3.3Å; D402-N456 VanDerWaalsContact OD2-CA 3.23Å; D402-N456 WeakPolarHBondContact OD2-CA 3.45Å; N456-F458 PolarHBondContact O-N 2.85Å; N456-F458 WeakPolarHBondContact OD1-CA 3.42Å; N456-F458 WeakPolarHBondContact OD1-CB 3.41Å; N456-F458 PolarHBondContact OD1-N 2.84Å; N456-G459 PolarHBondContact N-O 3.42Å; N456-G459 PolarHBondContact O-N 2.83Å; N456-G459 VanDerWaalsContact O-N 3.11Å; N456-G459 VanDerWaalsContact O-O 3.09Å; N456-G459 PolarHBondContact OD1-N 2.69Å
457S90.9Very high92.6Very high88 Ų8849.9 Ų49.962%0.61526%0.26SS*.THydrogen-bonded Turntrans-56.2-15.9178.463.70000116.2D402D402-S457 PolarHBondContact OD2-N 3.33Å; D402-S457 VanDerWaalsContact OD2-N 3.08Å
458F88.9Confident92.7Very high82 Ų8247.2 Ų47.236%0.3625%0.246SC..THydrogen-bonded Turntrans-102.7-11.3-179.3-68.7-91.9000113.7D300 N370 P399 N456D300-F458 HydrophobicContact CB-CE1 4.01Å; D300-F458 HydrophobicContact CB-CZ 4.41Å; D300-F458 WeakPolarHBondContact OD1-CZ 3.3Å; N370-F458 HydrophobicContact CB-CD2 4.39Å; N370-F458 HydrophobicContact CB-CE1 4.3Å; N370-F458 HydrophobicContact CB-CE2 3.73Å; N370-F458 HydrophobicContact CB-CZ 3.67Å; P399-F458 HydrophobicContact CG-CD2 4.15Å; P399-F458 HydrophobicContact CG-CE2 4.06Å; N456-F458 PolarHBondContact O-N 2.85Å; N456-F458 WeakPolarHBondContact OD1-CA 3.42Å; N456-F458 WeakPolarHBondContact OD1-CB 3.41Å; N456-F458 PolarHBondContact OD1-N 2.84Å
459G90.9Very high92.5Very high31 Ų3151.6 Ų51.632%0.3227%0.266SS..EExtended strand (participates in β ladder)trans148.9-151.2177.900000113.4W455 N456W455-G459 WeakPolarHBondContact CA-O 3.42Å; N456-G459 PolarHBondContact N-O 3.42Å; N456-G459 PolarHBondContact O-N 2.83Å; N456-G459 VanDerWaalsContact O-N 3.11Å; N456-G459 VanDerWaalsContact O-O 3.09Å; N456-G459 PolarHBondContact OD1-N 2.69Å
460S93.6Very high92Very high66 Ų6651.7 Ų51.746%0.46227%0.265SS..EExtended strand (participates in β ladder)trans-147.5147.6-176.963.80000112.2A454A454-S460 WeakPolarHBondContact O-CA 3.46Å; A454-S460 WeakPolarHBondContact O-CB 3.11Å
461D93.7Very high91.1Very high49 Ų4959.4 Ų59.426%0.26230%0.301SS..EExtended strand (participates in β ladder)trans-128148.8173.8-175.327.8000110.3P373 T374 I375 T453 A454P373-D461 HydrophobicContact CB-CB 4.47Å; P373-D461 WeakPolarHBondContact O-CB 3.41Å; T374-D461 WeakPolarHBondContact CA-OD2 3.09Å; I375-D461 HydrophobicContact CD1-CB 4.5Å; I375-D461 WeakPolarHBondContact CD1-O 3.27Å; I375-D461 HydrophobicContact CG1-CB 4.37Å; I375-D461 PolarHBondContact N-OD2 2.86Å; T453-D461 WeakPolarHBondContact CA-O 3.35Å; T453-D461 WeakPolarHBondContact CG2-O 3.47Å; A454-D461 PolarHBondContact N-O 3.42Å; A454-D461 PolarHBondContact O-N 2.79Å
462T93.6Very high89.7Confident59 Ų5961.4 Ų61.436%0.36232%0.319SS..EExtended strand (participates in β ladder)trans-140115-174.9-60.30000111.1N451 C452 T453N451-T462 HydrophobicContact CB-CG2 3.94Å; C452-T462 VanDerWaalsContact O-CA 3.31Å; C452-T462 WeakPolarHBondContact O-CA 3.48Å; T453-T462 WeakPolarHBondContact CB-OG1 3.39Å; T453-T462 WeakPolarHBondContact CG2-OG1 3.47Å; T453-T462 VanDerWaalsContact OG1-CG2 3.27Å; T453-T462 WeakPolarHBondContact OG1-CG2 3.34Å; T453-T462 PolarHBondContact OG1-OG1 3.4Å
463E93.9Very high88.2Confident37 Ų3767 Ų6717%0.17335%0.348CS..EExtended strand (participates in β ladder)trans-101.5138.7174.2-167.657.8-149.700111.1I375 Q379 C452 I465I375-E463 HydrophobicContact CB-CB 3.9Å; I375-E463 HydrophobicContact CD1-CB 4.34Å; I375-E463 HydrophobicContact CG2-CB 3.46Å; I375-E463 VanDerWaalsContact CG2-CB 3.46Å; I375-E463 HydrophobicContact CG2-CG 4.17Å; Q379-E463 WeakPolarHBondContact CG-OE1 3.39Å; Q379-E463 PolarHBondContact NE2-OE1 2.84Å; C452-E463 PolarHBondContact N-O 3.14Å; C452-E463 PolarHBondContact O-N 2.85Å; E463-I465 HydrophobicContact CG-CG1 4.41Å
464I93.1Very high87Confident81 Ų8170.1 Ų70.142%0.41537%0.369SS..EExtended strand (participates in β ladder)trans-96.4111.4-178.8-57.6-178.3000108.9I449I449-I464 HydrophobicContact CG2-CG2 3.37Å
465I93.4Very high85.5Confident0 Ų075.2 Ų75.20%040%0.399CS..EExtended strand (participates in β ladder)trans-110.7132.6-177.7-52.6167.3000110.1Q381 I391 C393 W406 Y450 C452 E463Q381-I465 HydrophobicContact CG-CG2 4.21Å; I391-I465 HydrophobicContact CG2-CB 4.08Å; I391-I465 HydrophobicContact CG2-CD1 4.14Å; I391-I465 HydrophobicContact CG2-CG2 3.4Å; I391-I465 VanDerWaalsContact CG2-CG2 3.4Å; C393-I465 HydrophobicContact CB-CD1 4.33Å; W406-I465 HydrophobicContact CH2-CD1 3.76Å; W406-I465 HydrophobicContact CZ3-CD1 3.94Å; Y450-I465 PolarHBondContact N-O 2.73Å; Y450-I465 PolarHBondContact O-N 2.83Å; C452-I465 HydrophobicContact CB-CD1 4.3Å; E463-I465 HydrophobicContact CG-CG1 4.41Å
466R91.5Very high84Confident143 Ų14375 Ų7554%0.5442%0.415SS..EExtended strand (participates in β ladder)trans-117.2136.8178.7-62.9-179.6-178.31721.5110.6Q379 T380 Q381Q379-R466 PolarHBondContact O-N 2.82Å; T380-R466 WeakPolarHBondContact CA-O 3.47Å; T380-R466 HydrophobicContact CG2-CB 4.48Å; Q381-R466 PolarHBondContact N-O 3.1Å
467L90.8Very high82.8Confident6 Ų677.5 Ų77.53%0.03143%0.43CS..EExtended strand (participates in β ladder)trans-86.4126.8174.1-156.877.4000109.2Q381 A383 I391 M438 I441 D445 F446Q381-L467 CarbonylContact O-C 3.58Å; Q381-L467 WeakPolarHBondContact O-CA 3.3Å; A383-L467 HydrophobicContact CB-CD1 3.95Å; A383-L467 HydrophobicContact CB-CD2 4.23Å; A383-L467 HydrophobicContact CB-CG 4.25Å; I391-L467 HydrophobicContact CD1-CD1 4.09Å; I391-L467 HydrophobicContact CG1-CD1 3.9Å; M438-L467 HydrophobicContact CE-CD1 4.08Å; M438-L467 HydrophobicContact CE-CD2 3.84Å; I441-L467 HydrophobicContact CD1-CD2 4.12Å; I441-L467 HydrophobicContact CG1-CD2 4.32Å; I441-L467 HydrophobicContact CG2-CD2 4.03Å; D445-L467 HydrophobicContact CB-CD2 4.43Å; F446-L467 WeakPolarHBondContact CA-O 3.31Å; F446-L467 HydrophobicContact CD1-CB 4.06Å; F446-L467 HydrophobicContact CD1-CD2 3.67Å; F446-L467 HydrophobicContact CD1-CG 3.84Å; F446-L467 HydrophobicContact CE1-CD2 3.58Å; F446-L467 HydrophobicContact CE1-CG 3.93Å
468K88.9Confident81.6Confident116 Ų11678.1 Ų78.150%0.50443%0.425SS..EExtended strand (participates in β ladder)trans-105.1136.8170.2-170.3-177.6174.9-170.20109Q381 Q382 A383 Q470Q381-K468 PolarHBondContact O-N 3.15Å; Q382-K468 WeakPolarHBondContact CA-O 3.35Å; A383-K468 PolarHBondContact N-O 3.02Å; A383-K468 VanDerWaalsContact N-O 3.1Å; K468-Q470 PolarHBondContact O-N 2.88Å
469E86.9Confident80.6Confident97 Ų9778.9 Ų78.945%0.45343%0.432SS..EExtended strand (participates in β ladder)trans-60.2122.8171.2-169.6166-158.300109.1H385 F446 E471H385-E469 VanDerWaalsContact CB-OE1 3.31Å; H385-E469 WeakPolarHBondContact CB-OE1 3.37Å; H385-E469 IonicContact CG-OE1 2.7Å; H385-E469 IonicContact ND1-OE1 3.98Å; H385-E469 PolarHBondContact ND1-OE1 3.29Å; F446-E469 HydrophobicContact CD1-CB 4.11Å; F446-E469 VanDerWaalsContact CD1-N 3.34Å; F446-E469 HydrophobicContact CD2-CB 4.2Å; F446-E469 HydrophobicContact CE1-CB 3.87Å; F446-E469 HydrophobicContact CE1-CG 4.4Å; F446-E469 HydrophobicContact CE2-CB 3.96Å; F446-E469 HydrophobicContact CE2-CG 3.97Å; F446-E469 HydrophobicContact CG-CB 4.28Å; F446-E469 HydrophobicContact CZ-CB 3.78Å; F446-E469 HydrophobicContact CZ-CG 3.84Å; E469-E471 PolarHBondContact O-N 2.82Å
470Q81.8Confident79.7Confident80 Ų8079.3 Ų79.337%0.37444%0.437SS..  trans-76.5113.9175.3-170.7169.9-4.400107.7Q382 A383 L384 K468 S472Q382-Q470 HydrophobicContact CB-CB 4.08Å; Q382-Q470 HydrophobicContact CB-CG 4.25Å; A383-Q470 PolarHBondContact O-N 2.88Å; L384-Q470 HydrophobicContact CD2-CB 4.06Å; L384-Q470 HydrophobicContact CD2-CG 4.4Å; L384-Q470 WeakPolarHBondContact CD2-O 3.35Å; L384-Q470 HydrophobicContact CG-CB 4.28Å; K468-Q470 PolarHBondContact O-N 2.88Å; Q470-S472 PolarHBondContact O-N 2.87Å
471E74.4Confident79Confident162 Ų16281.8 Ų81.876%0.75744%0.444SS*.  trans-62109.4172.7-71.1173.4-150.300108.3E469 L473E469-E471 PolarHBondContact O-N 2.82Å; E471-L473 PolarHBondContact O-N 2.9Å
472S64.9Low78Confident92 Ų9282.3 Ų82.364%0.64345%0.454SS*.  trans-58.4113.317156.80000107.9Q470Q470-S472 PolarHBondContact O-N 2.87Å
473L63.2Low77.4Confident117 Ų11783.3 Ų83.361%0.61346%0.46SS*.  trans-52126.4177.2-78.4170.6000108.4E471 V475 I478E471-L473 PolarHBondContact O-N 2.9Å; L473-V475 PolarHBondContact O-N 2.73Å; L473-I478 HydrophobicContact CB-CD1 4.36Å; L473-I478 HydrophobicContact CB-CG1 4.33Å
474P69.9Low76.7Confident78 Ų7883.4 Ų83.451%0.50647%0.472SS..  trans-54.5135.3-178.1-23.931.1000109.1A476 V477 I478P474-A476 PolarHBondContact O-N 3.32Å; P474-V477 HydrophobicContact CB-CG2 4.13Å; P474-V477 HydrophobicContact CG-CG2 4.1Å; P474-V477 WeakPolarHBondContact O-CA 3.48Å; P474-V477 WeakPolarHBondContact O-CB 3Å; P474-V477 PolarHBondContact O-N 3.23Å; P474-I478 PolarHBondContact O-N 3.42Å
475V63.8Low76.1Confident106 Ų10682.6 Ų82.664%0.64248%0.477SS*.Hα-helixtrans-55.1-29.6179.8-178.70000110.7L473 V477 I478 I479L473-V475 PolarHBondContact O-N 2.73Å; V475-V477 VanDerWaalsContact C-N 3.34Å; V475-V477 PolarHBondContact O-N 2.92Å; V475-I478 PolarHBondContact O-N 3.36Å; V475-I479 HydrophobicContact CG1-CD1 3.78Å; V475-I479 HydrophobicContact CG1-CG1 4.24Å; V475-I479 WeakPolarHBondContact O-CB 3.05Å; V475-I479 VanDerWaalsContact O-CG1 3.27Å; V475-I479 WeakPolarHBondContact O-CG1 3.21Å; V475-I479 PolarHBondContact O-N 2.92Å
476A62.1Low75.5Confident75 Ų7589 Ų8962%0.6251%0.505SS*.Hα-helixtrans-59.9-31.8170.600000115.2P474 G480P474-A476 PolarHBondContact O-N 3.32Å; A476-G480 WeakPolarHBondContact O-CA 3.23Å; A476-G480 PolarHBondContact O-N 2.03Å
477V68.2Low75.2Confident63 Ų6386 Ų8638%0.38250%0.502SS..Hα-helixtrans-75.9-41.5175.5177.60000110.6P474 V475 G480 I481P474-V477 HydrophobicContact CB-CG2 4.13Å; P474-V477 HydrophobicContact CG-CG2 4.1Å; P474-V477 WeakPolarHBondContact O-CA 3.48Å; P474-V477 WeakPolarHBondContact O-CB 3Å; P474-V477 PolarHBondContact O-N 3.23Å; V475-V477 VanDerWaalsContact C-N 3.34Å; V475-V477 PolarHBondContact O-N 2.92Å; V477-G480 PolarHBondContact O-N 2.88Å; V477-I481 HydrophobicContact CG1-CD1 3.98Å; V477-I481 VanDerWaalsContact O-CG1 3.32Å; V477-I481 WeakPolarHBondContact O-CG1 3.39Å; V477-I481 PolarHBondContact O-N 3.44Å
478I65.2Low74.7Confident100 Ų10088.4 Ų88.451%0.51352%0.523SS..Hα-helixtrans-65.3-45176.5-57.5176.3000110.1L473 P474 V475 G480 I481 A482L473-I478 HydrophobicContact CB-CD1 4.36Å; L473-I478 HydrophobicContact CB-CG1 4.33Å; P474-I478 PolarHBondContact O-N 3.42Å; V475-I478 PolarHBondContact O-N 3.36Å; I478-G480 VanDerWaalsContact C-N 3.35Å; I478-I481 PolarHBondContact O-N 2.94Å; I478-A482 WeakPolarHBondContact O-CB 3.14Å; I478-A482 PolarHBondContact O-N 3.11Å
479I69.3Low74.5Confident98 Ų9889 Ų8950%0.50353%0.526SS..Hα-helixtrans-62.3-42.1171.6-67.5171.5000110.5V475 I481 A482 V483V475-I479 HydrophobicContact CG1-CD1 3.78Å; V475-I479 HydrophobicContact CG1-CG1 4.24Å; V475-I479 WeakPolarHBondContact O-CB 3.05Å; V475-I479 VanDerWaalsContact O-CG1 3.27Å; V475-I479 WeakPolarHBondContact O-CG1 3.21Å; V475-I479 PolarHBondContact O-N 2.92Å; I479-I481 PolarHBondContact O-N 3.36Å; I479-A482 PolarHBondContact O-N 3.01Å; I479-V483 HydrophobicContact CG2-CG2 3.93Å; I479-V483 VanDerWaalsContact O-CB 3.3Å; I479-V483 WeakPolarHBondContact O-CB 3.22Å; I479-V483 VanDerWaalsContact O-CG2 3.25Å; I479-V483 WeakPolarHBondContact O-CG2 3.29Å; I479-V483 PolarHBondContact O-N 2.83Å
480G72.6Confident74.3Confident40 Ų4088.8 Ų88.841%0.41253%0.527SS..Hα-helixtrans-62.2-40.1178.700000113.5A476 V477 I478 G484A476-G480 WeakPolarHBondContact O-CA 3.23Å; A476-G480 PolarHBondContact O-N 2.03Å; V477-G480 PolarHBondContact O-N 2.88Å; I478-G480 VanDerWaalsContact C-N 3.35Å; G480-G484 WeakPolarHBondContact O-CA 3.47Å; G480-G484 PolarHBondContact O-N 2.95Å
481I77Confident74.4Confident119 Ų11989.1 Ų89.161%0.6153%0.534SS*.Hα-helixtrans-68.8-43.6174.3-67.6166.5000110.5V477 I478 I479 G484 A485V477-I481 HydrophobicContact CG1-CD1 3.98Å; V477-I481 VanDerWaalsContact O-CG1 3.32Å; V477-I481 WeakPolarHBondContact O-CG1 3.39Å; V477-I481 PolarHBondContact O-N 3.44Å; I478-I481 PolarHBondContact O-N 2.94Å; I479-I481 PolarHBondContact O-N 3.36Å; I481-G484 PolarHBondContact O-N 2.99Å; I481-A485 VanDerWaalsContact O-CB 3.28Å; I481-A485 WeakPolarHBondContact O-CB 3.47Å; I481-A485 PolarHBondContact O-N 3.13Å
482A74.5Confident74.8Confident59 Ų5986 Ų8649%0.48852%0.522SS..Hα-helixtrans-64.8-45178.200000112.5I478 I479 A485 F486I478-A482 WeakPolarHBondContact O-CB 3.14Å; I478-A482 PolarHBondContact O-N 3.11Å; I479-A482 PolarHBondContact O-N 3.01Å; A482-A485 PolarHBondContact O-N 3.17Å; A482-F486 WeakPolarHBondContact O-CB 3.36Å; A482-F486 PolarHBondContact O-N 2.75Å
483V80.1Confident75.6Confident80 Ų8086 Ų8649%0.48551%0.513SS..Hα-helixtrans-68-40.6175.9173.10000110.7I479 F486 V487I479-V483 HydrophobicContact CG2-CG2 3.93Å; I479-V483 VanDerWaalsContact O-CB 3.3Å; I479-V483 WeakPolarHBondContact O-CB 3.22Å; I479-V483 VanDerWaalsContact O-CG2 3.25Å; I479-V483 WeakPolarHBondContact O-CG2 3.29Å; I479-V483 PolarHBondContact O-N 2.83Å; V483-F486 PolarHBondContact O-N 3.4Å; V483-V487 HydrophobicContact CG1-CG2 4.33Å; V483-V487 WeakPolarHBondContact O-CB 3.41Å; V483-V487 VanDerWaalsContact O-CG2 3.31Å; V483-V487 WeakPolarHBondContact O-CG2 3.49Å; V483-V487 PolarHBondContact O-N 2.82Å
484G79.6Confident76.4Confident40 Ų4082.3 Ų82.341%0.41250%0.503SS..Hα-helixtrans-61.1-44.7174.400000112.5G480 I481 V487 A488G480-G484 WeakPolarHBondContact O-CA 3.47Å; G480-G484 PolarHBondContact O-N 2.95Å; I481-G484 PolarHBondContact O-N 2.99Å; G484-V487 PolarHBondContact O-N 2.82Å; G484-A488 VanDerWaalsContact O-CB 3.28Å; G484-A488 WeakPolarHBondContact O-CB 3.41Å; G484-A488 PolarHBondContact O-N 3.08Å
485A79.8Confident76.9Confident63 Ų6382.5 Ų82.552%0.52150%0.503SS..Hα-helixtrans-64.2-40.1174.100000112I481 A482 A488 F489I481-A485 VanDerWaalsContact O-CB 3.28Å; I481-A485 WeakPolarHBondContact O-CB 3.47Å; I481-A485 PolarHBondContact O-N 3.13Å; A482-A485 PolarHBondContact O-N 3.17Å; A485-A488 PolarHBondContact O-N 2.76Å; A485-F489 WeakPolarHBondContact O-CB 3.44Å; A485-F489 PolarHBondContact O-N 2.71Å
486F81.1Confident77.6Confident134 Ų13481.4 Ų81.459%0.58849%0.493SS*.Hα-helixtrans-66.5-42.5176.9-171.2-105.1000112.5A482 V483 F489 I490A482-F486 WeakPolarHBondContact O-CB 3.36Å; A482-F486 PolarHBondContact O-N 2.75Å; V483-F486 PolarHBondContact O-N 3.4Å; F486-F489 PolarHBondContact O-N 3Å; F486-I490 HydrophobicContact CD1-CD1 3.85Å; F486-I490 HydrophobicContact CE1-CD1 3.45Å; F486-I490 VanDerWaalsContact CE1-CD1 3.45Å; F486-I490 HydrophobicContact CE1-CG1 4.47Å; F486-I490 HydrophobicContact CZ-CD1 3.96Å; F486-I490 WeakPolarHBondContact O-CG1 3.48Å; F486-I490 PolarHBondContact O-N 2.77Å
487V84.4Confident78Confident80 Ų8080.8 Ų80.849%0.48548%0.484SS..Hα-helixtrans-65.4-42.9173.8171.20000110.8V483 G484 F489 I490 V491V483-V487 HydrophobicContact CG1-CG2 4.33Å; V483-V487 WeakPolarHBondContact O-CB 3.41Å; V483-V487 VanDerWaalsContact O-CG2 3.31Å; V483-V487 WeakPolarHBondContact O-CG2 3.49Å; V483-V487 PolarHBondContact O-N 2.82Å; G484-V487 PolarHBondContact O-N 2.82Å; V487-F489 VanDerWaalsContact C-N 3.31Å; V487-F489 PolarHBondContact O-N 2.84Å; V487-I490 PolarHBondContact O-N 2.85Å; V487-V491 HydrophobicContact CG1-CG2 4.46Å; V487-V491 WeakPolarHBondContact O-CG2 3.47Å; V487-V491 PolarHBondContact O-N 3.05Å
488A81.7Confident78.2Confident58 Ų5880.4 Ų80.448%0.47949%0.488SS..Hα-helixtrans-61.1-39.7174.600000112G484 A485 V491 L492G484-A488 VanDerWaalsContact O-CB 3.28Å; G484-A488 WeakPolarHBondContact O-CB 3.41Å; G484-A488 PolarHBondContact O-N 3.08Å; A485-A488 PolarHBondContact O-N 2.76Å; A488-V491 PolarHBondContact O-N 3.04Å; A488-L492 WeakPolarHBondContact O-CB 3.42Å; A488-L492 PolarHBondContact O-N 2.97Å
489F83.6Confident78.6Confident127 Ų12782.4 Ų82.456%0.55749%0.493SS*.Hα-helixtrans-65.2-41.7174.9-168.8-96.3000112.1A485 F486 V487 L492 M493A485-F489 WeakPolarHBondContact O-CB 3.44Å; A485-F489 PolarHBondContact O-N 2.71Å; F486-F489 PolarHBondContact O-N 3Å; V487-F489 VanDerWaalsContact C-N 3.31Å; V487-F489 PolarHBondContact O-N 2.84Å; F489-L492 PolarHBondContact O-N 2.9Å; F489-M493 HydrophobicContact CD1-CG 4.17Å; F489-M493 HydrophobicContact CE1-CG 3.91Å; F489-M493 HydrophobicContact CZ-CG 4.34Å; F489-M493 WeakPolarHBondContact O-CB 3.23Å; F489-M493 WeakPolarHBondContact O-CG 3.38Å; F489-M493 PolarHBondContact O-N 3.49Å
490I83.2Confident78.4Confident94 Ų9481.5 Ų81.548%0.48249%0.494SS..Hα-helixtrans-64.2-41.7173.7-72.8174.4000111.4F486 V487 M493 G494F486-I490 HydrophobicContact CD1-CD1 3.85Å; F486-I490 HydrophobicContact CE1-CD1 3.45Å; F486-I490 VanDerWaalsContact CE1-CD1 3.45Å; F486-I490 HydrophobicContact CE1-CG1 4.47Å; F486-I490 HydrophobicContact CZ-CD1 3.96Å; F486-I490 WeakPolarHBondContact O-CG1 3.48Å; F486-I490 PolarHBondContact O-N 2.77Å; V487-I490 PolarHBondContact O-N 2.85Å; I490-M493 PolarHBondContact O-N 2.83Å; I490-G494 PolarHBondContact O-N 2.8Å
491V83.8Confident78Confident86 Ų8683.5 Ų83.552%0.52150%0.501SS..Hα-helixtrans-64.8-40.4175.6171.60000111V487 A488 G494 T495V487-V491 HydrophobicContact CG1-CG2 4.46Å; V487-V491 WeakPolarHBondContact O-CG2 3.47Å; V487-V491 PolarHBondContact O-N 3.05Å; A488-V491 PolarHBondContact O-N 3.04Å; V491-G494 PolarHBondContact O-N 3Å; V491-T495 HydrophobicContact CG1-CG2 4.48Å; V491-T495 WeakPolarHBondContact O-CG2 3.43Å; V491-T495 PolarHBondContact O-N 3.17Å; V491-T495 PolarHBondContact O-OG1 2.9Å
492L83.1Confident77.3Confident96 Ų9681 Ų8150%0.50349%0.491SS..Hα-helixtrans-62.8-46.2174.9-165.7100.8000111.6A488 F489 G494 T495 I496A488-L492 WeakPolarHBondContact O-CB 3.42Å; A488-L492 PolarHBondContact O-N 2.97Å; F489-L492 PolarHBondContact O-N 2.9Å; L492-G494 VanDerWaalsContact C-N 3.29Å; L492-G494 PolarHBondContact O-N 2.78Å; L492-T495 PolarHBondContact O-N 2.95Å; L492-T495 PolarHBondContact O-OG1 2.73Å; L492-I496 HydrophobicContact CD2-CD1 3.97Å; L492-I496 HydrophobicContact CG-CD1 4.05Å; L492-I496 WeakPolarHBondContact O-CB 3.39Å; L492-I496 WeakPolarHBondContact O-CD1 3.39Å; L492-I496 WeakPolarHBondContact O-CG1 3.48Å; L492-I496 PolarHBondContact O-N 2.98Å
493M81.9Confident76.4Confident93 Ų9386.4 Ų86.446%0.45850%0.499SS..Hα-helixtrans-64.4-34.9175.2-70.7-62.1-69.300111.9F489 I490 S497F489-M493 HydrophobicContact CD1-CG 4.17Å; F489-M493 HydrophobicContact CE1-CG 3.91Å; F489-M493 HydrophobicContact CZ-CG 4.34Å; F489-M493 WeakPolarHBondContact O-CB 3.23Å; F489-M493 WeakPolarHBondContact O-CG 3.38Å; F489-M493 PolarHBondContact O-N 3.49Å; I490-M493 PolarHBondContact O-N 2.83Å; M493-S497 VanDerWaalsContact O-CB 3.28Å; M493-S497 WeakPolarHBondContact O-CB 3.49Å; M493-S497 PolarHBondContact O-N 2.88Å; M493-S497 PolarHBondContact O-OG 2.78Å
494G79.6Confident75.3Confident39 Ų3986.7 Ų86.740%0.40251%0.505SS..Hα-helixtrans-66.5-44.117400000113.4I490 V491 L492 S497 A498I490-G494 PolarHBondContact O-N 2.8Å; V491-G494 PolarHBondContact O-N 3Å; L492-G494 VanDerWaalsContact C-N 3.29Å; L492-G494 PolarHBondContact O-N 2.78Å; G494-S497 PolarHBondContact O-N 2.73Å; G494-A498 WeakPolarHBondContact O-CB 3.27Å; G494-A498 PolarHBondContact O-N 3.02Å
495T80.3Confident74.1Confident82 Ų8292.8 Ų92.850%0.50352%0.523SS..Hα-helixtrans-69.7-38.6176.755.60000111.9V491 L492 S497 A498 F499V491-T495 HydrophobicContact CG1-CG2 4.48Å; V491-T495 WeakPolarHBondContact O-CG2 3.43Å; V491-T495 PolarHBondContact O-N 3.17Å; V491-T495 PolarHBondContact O-OG1 2.9Å; L492-T495 PolarHBondContact O-N 2.95Å; L492-T495 PolarHBondContact O-OG1 2.73Å; T495-S497 VanDerWaalsContact C-N 3.34Å; T495-S497 PolarHBondContact O-N 3.48Å; T495-A498 PolarHBondContact O-N 2.9Å; T495-F499 WeakPolarHBondContact O-CB 3.09Å; T495-F499 PolarHBondContact O-N 2.81Å
496I78.9Confident72.8Confident83 Ų8399.1 Ų99.143%0.42653%0.533SS..Hα-helixtrans-60.2-44.5171.2-68.7165000110.4L492 F499 C500L492-I496 HydrophobicContact CD2-CD1 3.97Å; L492-I496 HydrophobicContact CG-CD1 4.05Å; L492-I496 WeakPolarHBondContact O-CB 3.39Å; L492-I496 WeakPolarHBondContact O-CD1 3.39Å; L492-I496 WeakPolarHBondContact O-CG1 3.48Å; L492-I496 PolarHBondContact O-N 2.98Å; I496-F499 PolarHBondContact O-N 2.93Å; I496-C500 PolarHBondContact O-N 3.32Å; I496-C500 PolarHBondContact O-SG 2.82Å
497S71Confident71.4Confident63 Ų6399 Ų9944%0.44154%0.539SS..Hα-helixtrans-64.3-41.3177.7-60.70000112.3M493 G494 T495 C500 C501M493-S497 VanDerWaalsContact O-CB 3.28Å; M493-S497 WeakPolarHBondContact O-CB 3.49Å; M493-S497 PolarHBondContact O-N 2.88Å; M493-S497 PolarHBondContact O-OG 2.78Å; G494-S497 PolarHBondContact O-N 2.73Å; T495-S497 VanDerWaalsContact C-N 3.34Å; T495-S497 PolarHBondContact O-N 3.48Å; S497-C500 PolarHBondContact O-N 2.97Å; S497-C501 WeakPolarHBondContact O-CB 3.37Å; S497-C501 PolarHBondContact O-N 3.43Å; S497-C501 PolarHBondContact O-SG 2.83Å
498A71.8Confident69.8Low55 Ų55102.8 Ų102.846%0.45556%0.555SS.*Hα-helixtrans-66.1-36.8174.700000112.5G494 T495 C501 T502G494-A498 WeakPolarHBondContact O-CB 3.27Å; G494-A498 PolarHBondContact O-N 3.02Å; T495-A498 PolarHBondContact O-N 2.9Å; A498-C501 PolarHBondContact O-N 3.43Å; A498-T502 WeakPolarHBondContact O-CB 3.07Å; A498-T502 WeakPolarHBondContact O-CG2 3.37Å; A498-T502 PolarHBondContact O-N 3.44Å; A498-T502 PolarHBondContact O-OG1 2.87Å
499F72.3Confident67.9Low141 Ų141109.8 Ų109.862%0.61858%0.575SS**Hα-helixtrans-65.9-41.3174.2-166.2-100.4000111.7T495 I496 T502 R503T495-F499 WeakPolarHBondContact O-CB 3.09Å; T495-F499 PolarHBondContact O-N 2.81Å; I496-F499 PolarHBondContact O-N 2.93Å; F499-T502 WeakPolarHBondContact CA-OG1 3.49Å; F499-T502 PolarHBondContact O-OG1 2.84Å; F499-T502 VanDerWaalsContact O-OG1 3.09Å; F499-R503 WeakPolarHBondContact O-CB 3.4Å; F499-R503 PolarHBondContact O-N 2.86Å
500C66.9Low65.7Low79 Ų79107.7 Ų107.753%0.53459%0.589SS.*Hα-helixtrans-64.1-42.7172.3-72.80000112.5I496 S497 R503 S504I496-C500 PolarHBondContact O-N 3.32Å; I496-C500 PolarHBondContact O-SG 2.82Å; S497-C500 PolarHBondContact O-N 2.97Å; C500-R503 PolarHBondContact O-N 3.11Å; C500-S504 PolarHBondContact O-N 3.14Å
501C62.7Low63.6Low82 Ų82110 Ų11055%0.55461%0.607SS**Hα-helixtrans-66.4-41178.2-68.20000112.7S497 A498 R503 S504 Q505S497-C501 WeakPolarHBondContact O-CB 3.37Å; S497-C501 PolarHBondContact O-N 3.43Å; S497-C501 PolarHBondContact O-SG 2.83Å; A498-C501 PolarHBondContact O-N 3.43Å; C501-R503 VanDerWaalsContact C-N 3.35Å; C501-S504 WeakPolarHBondContact O-CB 3.32Å; C501-S504 PolarHBondContact O-N 3.3Å; C501-Q505 PolarHBondContact O-N 3.12Å; C501-Q505 VanDerWaalsContact O-N 3.1Å
502T62.8Low61.4Low66 Ų66112.5 Ų112.541%0.40562%0.623SS.*Hα-helixtrans-70.3-29.1175.9510000112.8A498 F499 R506A498-T502 WeakPolarHBondContact O-CB 3.07Å; A498-T502 WeakPolarHBondContact O-CG2 3.37Å; A498-T502 PolarHBondContact O-N 3.44Å; A498-T502 PolarHBondContact O-OG1 2.87Å; F499-T502 WeakPolarHBondContact CA-OG1 3.49Å; F499-T502 PolarHBondContact O-OG1 2.84Å; F499-T502 VanDerWaalsContact O-OG1 3.09Å; T502-R506 WeakPolarHBondContact O-CG 3.44Å; T502-R506 PolarHBondContact O-N 3.25Å
503R56.8Low59.2Low173 Ų173112.9 Ų112.965%0.65363%0.633SS**Hα-helixtrans-71.1-34.2169.8-173.5173176.4168.3-1.5112.7F499 C500 C501 R506 N507F499-R503 WeakPolarHBondContact O-CB 3.4Å; F499-R503 PolarHBondContact O-N 2.86Å; C500-R503 PolarHBondContact O-N 3.11Å; C501-R503 VanDerWaalsContact C-N 3.35Å; R503-R506 PolarHBondContact O-N 2.84Å; R503-N507 PolarHBondContact O-ND2 3.1Å; R503-N507 VanDerWaalsContact O-ND2 3.13Å
504S56.2Low57Low87 Ų87113.6 Ų113.661%0.60865%0.654SS**Hα-helixtrans-64.8-47.9174.7-1720000111.8C500 C501 R506 N507C500-S504 PolarHBondContact O-N 3.14Å; C501-S504 WeakPolarHBondContact O-CB 3.32Å; C501-S504 PolarHBondContact O-N 3.3Å; S504-R506 PolarHBondContact O-N 2.98Å; S504-N507 PolarHBondContact O-N 2.84Å; S504-N507 VanDerWaalsContact O-N 3.14Å
505Q53.8Low55.2Low168 Ų168119 Ų11979%0.78567%0.666SS**Hα-helixtrans-65.3-20.9178.1-72.9-167.8-12.500114.6C501 N507C501-Q505 PolarHBondContact O-N 3.12Å; C501-Q505 VanDerWaalsContact O-N 3.1Å; Q505-N507 VanDerWaalsContact C-N 3.31Å; Q505-N507 PolarHBondContact O-N 3.37Å
506R53.5Low53Low196 Ų196123.4 Ų123.474%0.7469%0.687SS**G310 helixtrans-78-9.4175.8-75.6174.4176.6152.5-0.4114.2T502 R503 S504T502-R506 WeakPolarHBondContact O-CG 3.44Å; T502-R506 PolarHBondContact O-N 3.25Å; R503-R506 PolarHBondContact O-N 2.84Å; S504-R506 PolarHBondContact O-N 2.98Å
507N50.7Low50.8Low131 Ų131125.1 Ų125.170%0.70170%0.697SS**G310 helixtrans-90.35.8-177.7-90.8-89.1000115.3R503 S504 Q505R503-N507 PolarHBondContact O-ND2 3.1Å; R503-N507 VanDerWaalsContact O-ND2 3.13Å; S504-N507 PolarHBondContact O-N 2.84Å; S504-N507 VanDerWaalsContact O-N 3.14Å; Q505-N507 VanDerWaalsContact C-N 3.31Å; Q505-N507 PolarHBondContact O-N 3.37Å
508L50.8Low49.3Very low159 Ų159128.6 Ų128.683%0.83271%0.709SS**G310 helixtrans-102.87.7-176.1-127.383.9000116.4
509K41.4Very low47.3Very low205 Ų205137.7 Ų137.789%0.89173%0.732SS**SBendtrans-144.7110.3172.3-75.1-172.6177177.60111.9
510G38.1Very low45.5Very low83 Ų83135.5 Ų135.586%0.85673%0.73SS**  trans133.665.5165.400000116
511V39.7Very low43.8Very low142 Ų142141.4 Ų141.486%0.86175%0.749SS**  trans-99.3113166.41740000109.3
512V36.8Very low42.7Very low140 Ų140143.1 Ų143.185%0.84875%0.752SS**  trans-146.2109.8154.1-178.80000110.9
513S37.4Very low41.1Very low103 Ų103146.9 Ų146.972%0.7277%0.774SS**  trans33.6119.9143.6-162.30000121.9
514A35.5Very low40.3Very low109 Ų109146 Ų14690%0.90178%0.777SS**  -142.4132.6119.100000109.7
515K41.3Very low39Very low152 Ų152151.6 Ų151.666%0.66179%0.791SS**  trans-111.5141-173.9176.9-174.9178.4-169.50109.2D517K515-D517 WeakPolarHBondContact CE-OD2 3.46Å; K515-D517 IonicContact NZ-OD2 3.18Å; K515-D517 PolarHBondContact NZ-OD2 2.94Å
516N34.6Very low38.1Very low174 Ų174149.6 Ų149.693%0.9379%0.786SS**  trans-139.7140.6152.5-95.9-24.9000109.5
517D32.4Very low37.4Very low119 Ų119147.5 Ų147.564%0.63678%0.784SS**  trans-106.9160.3-158.4-141.7-29.3000112.6K515K515-D517 WeakPolarHBondContact CE-OD2 3.46Å; K515-D517 IonicContact NZ-OD2 3.18Å; K515-D517 PolarHBondContact NZ-OD2 2.94Å
518I40Very low36.6Very low137 Ų137147.4 Ų147.470%0.70378%0.783SS**  trans-90.1151.2-173.7-64161.6000110.1V520I518-V520 HydrophobicContact CG2-CG2 3.67Å
519R29.5Very low35.7Very low246 Ų246143.7 Ų143.793%0.92878%0.775SS**  trans-128.8138.1149.1-171.2169-77.9-1172.5110.6
520V35.7Very low35.3Very low95 Ų95138.8 Ų138.858%0.57677%0.773SS**  trans-110.1148.1-168.2-178.70000109I518 I522I518-V520 HydrophobicContact CG2-CG2 3.67Å; V520-I522 HydrophobicContact CG1-CD1 3.98Å; V520-I522 HydrophobicContact CG1-CG1 3.72Å
521E29.7Very low34.9Very low202 Ų202146 Ų14694%0.94478%0.775SS**  trans-145.5146.4142.7-136.5161-150.100111.3
522I40.2Very low34.3Very low119 Ų119147.2 Ų147.261%0.6177%0.771SS**  trans-125.8137.2-165-59.7150.1000108.2V520V520-I522 HydrophobicContact CG1-CD1 3.98Å; V520-I522 HydrophobicContact CG1-CG1 3.72Å
523V30.1Very low34Very low145 Ų145146 Ų14688%0.87976%0.76SS**  trans-148.6135142.1171.40000109.4
524H38.2Very low33.7Very low153 Ų153148.6 Ų148.671%0.70876%0.76SS**  trans-80.3160.8174.7-60.727.3000111.9
525K30.6Very low33.5Very low205 Ų205150.6 Ų150.689%0.89175%0.751SS**  -167.3146.4117.4-158.4157.5-178.5174.20113.2
526D33.8Very low33Very low127 Ų127150.4 Ų150.468%0.67975%0.752SS**  trans-89.2164.9-168.6-56.3-89000117.7
527H40.2Very low32.6Very low151 Ų151149 Ų14970%0.69975%0.745SS**  98.1124.9125.4-10537.1000122.7
528N33.4Very low32.5Very low129 Ų129147.9 Ų147.969%0.6975%0.746SS**  trans72.9151.7137.2-70.92.9000121.9
529A32Very low32Very low81 Ų81149.5 Ų149.567%0.66975%0.753SS**  cis-174.9161.1-22.200000110.7
530A31.7Very low31.8Very low102 Ų102146.4 Ų146.484%0.84375%0.746SS**  trans66.615416600000116.2
531R29.5Very low31.3Very low236 Ų236150.1 Ų150.189%0.89176%0.757SS**  cis-160.5163.732.8-166.8172.8-178.1147.40.1112.8
532E28.9Very low31.2Very low166 Ų166147.9 Ų147.978%0.77675%0.751SS**  trans-67.8176.9172-54.9140.8138.100112.3
533N29Very low30.7Very low116 Ų116150.8 Ų150.862%0.6276%0.764SS**  cis-167.3167.523.2-14517.1000112
534E32.1Very low30.6Very low156 Ų156150.7 Ų150.773%0.72976%0.763SS**  trans53.8152.5147.3-74.6161.316600121.9
535E30.5Very low30Very low152 Ų152150 Ų15071%0.7176%0.761SS**  cis-161.5161.1-15.1-131.5-161.8143.500112.2
536H31.1Very low29.9Very low147 Ų147150.7 Ų150.768%0.68176%0.757SS**  trans30.1122.5155.9-84.598.5000124.3
537N27.2Very low29.6Very low146 Ų146147.7 Ų147.778%0.78176%0.756SS**  -178.814697-107.8-46.2000119.1
538S30.2Very low28.8Very low95 Ų95149.4 Ų149.466%0.66477%0.765SS**  trans47.1104.7150.568.60000124.5
539M27.9Very low28.5Very low171 Ų171152.4 Ų152.484%0.84277%0.772SS**  63.192.8110.6-153.4-160.6-46.800121.6
540K25.6Very low28.4Very low180 Ų180155.6 Ų155.678%0.78377%0.773SS**  176.9138.7107-98.1-172.6-178.4179.30112.6
541Q25.4Very low28.3Very low174 Ų174159 Ų15981%0.81377%0.771SS**  trans59102.1147.3-170.3171.13.200118.8
542L27.7Very low28.4Very low155 Ų155155.8 Ų155.881%0.81277%0.767SS**  trans-175.7141.4136.4-101.8156.5000113
543M29.1Very low28.8Very low180 Ų180152.7 Ų152.789%0.88776%0.763SS**  trans42.9138.5152.9-75.7166.7123.800123.2
544V27.8Very low29.2Very low142 Ų142152.4 Ų152.486%0.86177%0.765SS**  trans-86.4151.5-180167.10000112.3
545E26.2Very low29.5Very low140 Ų140153 Ų15365%0.65477%0.773SS**  trans-25.7139165.8-92.3-173.1106.800119.8
546R28.4Very low29.9Very low218 Ų218155.1 Ų155.182%0.82378%0.78SS**  60.7116.1117.2-154179.3-160.2151.90.6117.2
547G26.9Very low30.3Very low64 Ų64156.1 Ų156.166%0.6679%0.785SS**  104.79852.800000110.3
548E25.3Very low31Very low188 Ų188156.5 Ų156.588%0.87979%0.786SS**  trans46.3114156.6-59.4-176142.400120.6
549F27.1Very low31.5Very low192 Ų192160.6 Ų160.684%0.84280%0.795SS**  trans-147.2124.7142.2-120.3-84.2000112.1
550Q28.3Very low32.2Very low147 Ų147158.1 Ų158.169%0.68779%0.789SS**  trans8.6116.1168.6-64.3173.3-78.900120.8
551Q29.7Very low32.9Very low173 Ų173156.4 Ų156.481%0.80879%0.787SS**  trans-99.194.8159.7-17485.60.500109.7
552E31.8Very low33.7Very low170 Ų170155.9 Ų155.979%0.79479%0.785SS**  trans-129.279178.3-168.8174.5-155.700111.2
553S38.3Very low34.4Very low100 Ų100157.2 Ų157.270%0.69979%0.787SS**  trans-159.7-917265.40000117.3L555S553-L555 PolarHBondContact O-N 2.71Å
554V36.6Very low35Very low110 Ų110157.2 Ų157.267%0.66779%0.785SS**SBendtrans-101.843.1-169-160.10000113.3
555L39.1Very low35.6Very low168 Ų168159.1 Ų159.188%0.8878%0.784SS**SBendtrans-140.838.3172.9-144.492.1000113.7S553S553-L555 PolarHBondContact O-N 2.71Å
556K38.3Very low36.1Very low198 Ų198162 Ų16286%0.86180%0.795SS**SBendtrans-138.115.1174.9-105.8-174.1179.7-177.30115.7
557Q38.5Very low36.6Very low167 Ų167160 Ų16078%0.7880%0.795SS**SBendtrans-131.526.9-178.6-157152.9-13.500113.3
558L43Very low37.1Very low154 Ų154168 Ų16881%0.80681%0.807SS**SBendtrans-108.8-2.2172.3-105.678.9000114.2
559E41.3Very low37.9Very low182 Ų182168 Ų16885%0.8581%0.806SS**SBendtrans-99.64.4179.7-92.6178.5153.800114.3
560V42.3Very low38.5Very low119 Ų119166.4 Ų166.472%0.72180%0.802SS**SBendtrans-114.21.9-175.5-173.80000112.9
561L39.6Very low39Very low143 Ų143167.1 Ų167.175%0.74981%0.808SS**SBendtrans-119.525.5179.2-68.9175.6000113.2
562Q42.6Very low39.2Very low164 Ų164167 Ų16777%0.76681%0.805SS**SBendtrans-122.24.8178.7-126175.47.900114.9
563E42.5Very low39.3Very low182 Ų182166.2 Ų166.285%0.8581%0.806SS**SBendtrans-108.7-15.1176.1-70.7-166.6133.100114.9
564E41.8Very low39.4Very low181 Ų181166.4 Ų166.485%0.84681%0.805SS**G310 helixtrans-88.5-5.3177.2-74-167.7141.700114.8K566E564-K566 VanDerWaalsContact C-N 3.29Å; E564-K566 PolarHBondContact O-N 2.7Å
565E40.1Very low39.2Very low181 Ų181167.3 Ų167.385%0.84681%0.811SS**G310 helixtrans-85.812.9-178.6-112.8-174174.800114.8
566K36.8Very low39Very low201 Ų201166.5 Ų166.587%0.87481%0.807SS**G310 helixtrans-125.35.4-174.7-87.8-175.1177.9173.40117.7E564E564-K566 VanDerWaalsContact C-N 3.29Å; E564-K566 PolarHBondContact O-N 2.7Å
567E39Very low38.7Very low176 Ų176160.1 Ų160.182%0.82280%0.798SS**SBendtrans-127.541-178.7-150176.7-168.100115.6
568Y37.5Very low38.5Very low233 Ų233162.1 Ų162.191%0.91480%0.8SS**SBendtrans-13732.7165.5-97-74.5000114.5
569Q41.3Very low37.9Very low186 Ų186165.7 Ų165.787%0.86980%0.804SS**SBendtrans-121.527.5-178.6-139.2174.332.500115.2
570H39.7Very low37.4Very low160 Ų160161.8 Ų161.874%0.74180%0.798SS**  trans-159.165.7166.8-143.6-92.1000117.2
571I38.4Very low36.8Very low161 Ų161162.5 Ų162.583%0.82680%0.802SS**  trans-120.9126.7159.3-64.2-177.2000109.6
572K33.8Very low36.3Very low172 Ų172162 Ų16275%0.74880%0.8SS**  trans-78.9145.4-178.3-76.2178172.3178.10111.7P574K572-P574 WeakPolarHBondContact O-CD 3.36Å
573D34.5Very low35.7Very low153 Ų153160.8 Ų160.882%0.81880%0.804SS**  trans-48.5130.4167.6-179.311.9000113.7
574P39.9Very low35Very low104 Ų104160.9 Ų160.968%0.67580%0.802SS**  trans-130.8131157.135-17.6000113.8K572K572-P574 WeakPolarHBondContact O-CD 3.36Å
575T33.1Very low34.6Very low128 Ų128161.8 Ų161.879%0.78580%0.803SS**  trans97.280.1149.2-21.70000118.5
576N34.4Very low34Very low151 Ų151161.6 Ų161.681%0.80780%0.802SS**  trans-32.2126.6140.5-165.711.4000113.6
577G31.8Very low33.7Very low65 Ų65160.8 Ų160.867%0.6780%0.801SS**  trans-156.493.8-176.100000114.5
578Y34.2Very low33.2Very low209 Ų209161.5 Ų161.582%0.8280%0.804SS**  trans-68132.1175-104.7-108.3000112.6
579Y31.9Very low32.6Very low228 Ų228156 Ų15689%0.89479%0.794SS**  trans-139.4116.9152.6-79-76.1000112.1
580S29.3Very low32.3Very low101 Ų101153.1 Ų153.171%0.70679%0.792SS**  trans-87.7132.5169.253.80000110.6
581V30.7Very low31.7Very low134 Ų134151.5 Ų151.581%0.81279%0.794SS**  trans-103.6103.1171.8-176.40000109.8
582N29.8Very low31.2Very low133 Ų133152.5 Ų152.571%0.71180%0.797SS**  trans-75.6128.6165.8-83.3-10.4000109.6F584N582-F584 PolarHBondContact O-N 3.24Å
583T29.1Very low31Very low138 Ų138150.7 Ų150.785%0.84780%0.801SS**  trans-82.796.5170.853.70000110.7
584F28.4Very low30.7Very low183 Ų183146.6 Ų146.680%0.80380%0.795SS**  trans-91.6127.9161-100.8-95.9000109.9N582N582-F584 PolarHBondContact O-N 3.24Å
585K32.4Very low30.1Very low200 Ų200150.1 Ų150.187%0.8781%0.808SS**  trans-94123.9166.5-97.6-179.6172177.60108
586E28.5Very low30Very low177 Ų177152.4 Ų152.483%0.82781%0.81SS**  trans-127.3150.4159.5-80.3-163.8147.900111.5
587H30.2Very low29.8Very low185 Ų185152 Ų15286%0.85681%0.813SS**  trans-87135.2-176.9-76-99000110.7
588H28.4Very low29.7Very low191 Ų191153.1 Ų153.188%0.88482%0.815SS**  trans-101.4106162-82.6-60.2000111.3
589T25.1Very low29.5Very low116 Ų116151.8 Ų151.871%0.71282%0.817SS**  trans-81.1138.4152.243.90000109.5
590P34.7Very low29.4Very low126 Ų126146.4 Ų146.482%0.81881%0.807SS**  trans-87.2137.6172.933.6-31.6000111.4
591T26.7Very low29.4Very low127 Ų127152.7 Ų152.778%0.77982%0.816SS**  trans-136.5121.3167-52.60000109
592M29.4Very low29.3Very low181 Ų181153.8 Ų153.889%0.89282%0.817SS**  trans-117.6117.9171.5-82.5-78.5-78.400109.2
593T28.6Very low29.3Very low135 Ų135153.3 Ų153.383%0.82882%0.824SS**  trans-81140.6160.449.20000108.8
594G28Very low29.4Very low67 Ų67152.1 Ų152.169%0.69182%0.817SS**  cis164.3152.9-3.100000108.3
595N27.7Very low29.4Very low177 Ų177150.2 Ų150.295%0.94782%0.815SS**  trans-158.7146.4162.7-119.1-14.1000110.9
596Q30.8Very low29.4Very low177 Ų177147 Ų14783%0.82781%0.812SS**  trans-88.6147-172.9-61.7171.8-3.900111.7
597T29.2Very low29.5Very low142 Ų142141.6 Ų141.687%0.87180%0.804SS**  178.3153.1118.126.80000113
598A31.1Very low29.5Very low88 Ų88139.5 Ų139.573%0.72780%0.804SS**  trans66.596.1154.200000121.2
599E29.2Very low29.7Very low182 Ų182139 Ų13985%0.8581%0.807SS**  65.3121.9112.7-74.6-165.1148.500124.3
600V29.7Very low29.9Very low114 Ų114137.4 Ų137.469%0.69181%0.813SS**  101.4129.1124.2166.90000121.4
601R29.4Very low29.7Very low234 Ų234140.7 Ų140.788%0.88382%0.815SS**  trans93.1103.4154.4-97.9165.5-175.3168.41.9121.6
602N29.6Very low29.7Very low156 Ų156142.8 Ų142.883%0.83482%0.816SS**  trans-53.4155.2148.1-65.6-25.5000112.7
603S28.9Very low29.6Very low123 Ų123145.6 Ų145.686%0.8682%0.817SS**  -154.9134.6120.8-153.40000112.6
604T30.6Very low29.6Very low114 Ų114145.5 Ų145.570%0.69982%0.815SS**  trans-98.5150.3172.746.40000110.5
605N30.3Very low30.3Very low143 Ų143147.5 Ų147.577%0.76582%0.816SS**  trans-176.9137.8132.2-98.5-10.3000116.1
606T31.3Very low30.7Very low131 Ų131145.2 Ų145.280%0.80481%0.809SS**  trans14.4148136.963.30000120.8
607G30.4Very low30.7Very low64 Ų64139.8 Ų139.866%0.6680%0.8SS**  cis158.5166.72.100000113
608T30.5Very low30.8Very low141 Ų141141.3 Ų141.387%0.86580%0.799SS**  trans62.611816047.70000124.1
609L32.9Very low30.8Very low182 Ų182141.4 Ų141.495%0.95380%0.795SS**  49.8129128.9-114.978.6000123.1
610G29.4Very low30.9Very low81 Ų81141.2 Ų141.284%0.83579%0.791SS**  trans168.1125.3156.900000118.2
611K30.6Very low31Very low196 Ų196140.8 Ų140.885%0.85279%0.79SS**  trans-76.9139.3-174.9-69.8171.7173.3174.30116.4
612Q26.9Very low30.9Very low171 Ų171136.2 Ų136.280%0.79978%0.782SS**  61.4107.2124-161.8-176.725.700122.1
613R27.3Very low30.9Very low240 Ų240135.8 Ų135.891%0.90678%0.779SS**  -179.5154.4119.9-102.4176.6180164.50.9115.2
614V27.1Very low31Very low133 Ų133140.1 Ų140.181%0.80678%0.778SS**  trans-82.6176.1174.8-143.70000108.9
615P42.8Very low30.9Very low108 Ų108138.6 Ų138.670%0.70177%0.772SS**  cis-138.6-160.418.436.5-9.1000114.2
616T36.3Very low30.9Very low129 Ų129137.6 Ų137.679%0.79177%0.771SS**  cis-159.915010.1-25.10000112.9
617G32.2Very low30.8Very low63 Ų63139.9 Ų139.965%0.64978%0.777SS**  trans90.7145.7136.800000118.8
618M31.5Very low30.7Very low174 Ų174140.5 Ų140.586%0.85778%0.784SS**  cis-144.7131.9-3-68-175-173.200107.9
619S30.1Very low30.7Very low90 Ų90138.8 Ų138.863%0.62978%0.784SS**  75.3144.273.1108.50000113.6
620F30.9Very low30.5Very low178 Ų178133.9 Ų133.978%0.78178%0.777SS**  cis-164.6137.212.7-125.9-41.5000112.6
621T32.2Very low30.9Very low106 Ų106136.2 Ų136.265%0.6578%0.778SS**  trans62.3162.3143.637.70000121.7
622N28.1Very low30.8Very low137 Ų137134.7 Ų134.773%0.73378%0.779SS**  cis-146.3165.210.8-133.4-30.6000114.7
623I29.6Very low31.1Very low148 Ų148137.9 Ų137.976%0.75978%0.784SS**  trans-126141.2176.3-64.1167.6000109.1
624Y29.6Very low31.1Very low213 Ų213134.2 Ų134.284%0.83578%0.781SS**  trans-157.3112.3147.6-100.1-78.1000106.8
625S29.4Very low31.2Very low83 Ų83138.6 Ų138.658%0.5879%0.785SS**  72136.8100.475.90000114.8
626T30.5Very low30.4Very low122 Ų122140.7 Ų140.775%0.74879%0.79SS**  cis-171165.55.68.30000110.3
627L29Very low30.1Very low178 Ų178144.8 Ų144.893%0.93279%0.792SS**  trans75124.5161.3-67.3153000118.9
628G26.9Very low30Very low77 Ų77145.1 Ų145.179%0.79480%0.796SS**  trans155.874.3168.200000116.5
629A30.6Very low30Very low106 Ų106145.3 Ų145.388%0.87680%0.795SS**  trans9.8119.8162.900000122.3
630G30.1Very low30.1Very low78 Ų78152.7 Ų152.780%0.80481%0.809SS**  trans87.8131.4133.400000120.2
631P37.7Very low29.9Very low130 Ų130153 Ų15384%0.84481%0.811SS**  trans-120.8139.6157.235.7-24.8000113.6
632N28.9Very low29.7Very low165 Ų165154.7 Ų154.788%0.88282%0.82SS**  trans-63.1152.2170.6-71.8-41000112.6
633R31.5Very low29.8Very low238 Ų238156 Ų15690%0.89883%0.827SS**  trans-145.3131.2149.6-138.6172.9-172.2171.31.9112.4
634L27.9Very low29.7Very low162 Ų162152.1 Ų152.185%0.84882%0.822SS**  trans-56.9149.5174.5-95.657.9000112
635Y28.9Very low29.6Very low226 Ų226151.6 Ų151.689%0.88683%0.83SS**  trans-109.7133.7154.2-86.9-82.6000110.3
636D26.2Very low29.4Very low151 Ų151151.2 Ų151.281%0.80784%0.84SS**  trans-91.6153.3172.2-179.818.1000109.3
637Y30.1Very low29.2Very low215 Ų215150.6 Ų150.684%0.84384%0.84SS**  trans-140.589.1179.7-124.1-76.9000111.7
638G30.9Very low29.3Very low71 Ų71147 Ų14773%0.73283%0.829SS**  trans-84.3123.9168.100000111.7
639Q30.8Very low29.4Very low178 Ų178148.1 Ų148.183%0.83283%0.826SS**  trans-84.8143.7168.6-71.4-172.6-12.900111.5
640R31.3Very low29.4Very low244 Ų244150.4 Ų150.492%0.92182%0.821SS**  trans-130.3135162.8-83.1-172.3173.2-177-1.4110.2
641F27.8Very low29.2Very low186 Ų186156 Ų15682%0.81683%0.827SS**  trans-74.8147.4168.3-82.6-101.9000111.4
642V28.2Very low28.8Very low140 Ų140157 Ų15785%0.84882%0.824SS**  trans-138.9117154.5177.40000108.7
643L30Very low28.7Very low166 Ų166155.6 Ų155.687%0.86983%0.826SS**  trans-83.4148.7157-60.1160.4000106.5
644G27.1Very low28.6Very low65 Ų65153.2 Ų153.267%0.6783%0.825SS**  cis137.7138.910.700000108.5
645M26.9Very low28.7Very low202 Ų202157.3 Ų157.3100%0.99583%0.829SS**  trans-178.2137.2164.4-72.2-144.9-176.300104.3
646G27Very low28.6Very low76 Ų76154.3 Ų154.378%0.78482%0.823SS**  cis140.2146.928.700000104.7
647S25.9Very low28.6Very low108 Ų108155.2 Ų155.276%0.75582%0.82SS**  cis-161.11619.556.80000111.2
648S29.8Very low28.5Very low102 Ų102152.7 Ų152.771%0.71382%0.816SS**  trans25.3146.4140.162.40000121.9
649S29.5Very low28.5Very low102 Ų102161.1 Ų161.171%0.71383%0.826SS**  cis-176.5152.43.139.30000111.9
650I30.7Very low28.2Very low153 Ų153156.7 Ų156.779%0.78583%0.827SS**  trans22.9127.3142.4-63.2161.5000119.1
651E26.8Very low28.1Very low197 Ų197149.8 Ų149.892%0.92182%0.817SS**  -147.8148.7129.2-135.9170.7-155.500112.2
652L29.6Very low28.1Very low150 Ų150148.9 Ų148.979%0.78582%0.819SS**  trans-105.4147.2-177.5-89152.8000110.3
653C25.6Very low28.1Very low136 Ų136146.9 Ų146.992%0.91981%0.812SS**  trans-152.3122.7152.9-99.90000111.4
654E30.3Very low28Very low187 Ų187146 Ų14687%0.87481%0.808SS**  trans-81.7150.9168-62.3173120.700111
655R29.5Very low27.9Very low248 Ų248148.9 Ų148.994%0.93682%0.818SS**  trans-165.3123.2136.6-121173.2176152.90.5113.6
656E27.6Very low28.1Very low164 Ų164144.8 Ų144.877%0.76681%0.809SS**  trans-74.7144.1154.4-60.2-179.6123.600109.9
657F25.6Very low28.2Very low169 Ų169146.7 Ų146.774%0.74181%0.81SS**  176.3147.1107.5-123-112.2000114.3
658Q27.5Very low28.3Very low162 Ų162150.5 Ų150.576%0.75781%0.814SS**  trans73.8116.1149.3-100.5170.419.600124.6
659R30.3Very low28.3Very low249 Ų249153.4 Ų153.494%0.9482%0.819SS**  trans-3.4133.1139.6-67.5177.5167.6120.8-1.1118.8
660G26Very low28.1Very low84 Ų84154.3 Ų154.387%0.86682%0.816SS**  trans-148136.9149.800000109.9
661S28Very low28Very low100 Ų100153.2 Ų153.270%0.69982%0.817SS**  trans-118165.5-178.360.30000111.4
662L29.3Very low28.1Very low166 Ų166151.2 Ų151.287%0.86981%0.808SS**  trans72.8149.1170.6-55.8160.7000113
663S28.2Very low27.9Very low99 Ų99150.2 Ų150.269%0.69281%0.812SS**  cis-158.9175.40.338.10000110.3
664D26.5Very low27.9Very low148 Ų148150.5 Ų150.579%0.79180%0.804SS**  trans-33.1146.5166.7-52.5-66.8000116.3
665S26.4Very low28Very low125 Ų125147 Ų14787%0.87480%0.801SS**  -171.8139.4114.4-80.60000113.1
666S29.5Very low27.9Very low116 Ų116140.6 Ų140.681%0.81179%0.794SS**  trans-80.7146.9171.654.50000113
667S29.7Very low28Very low116 Ų116140.7 Ų140.781%0.81180%0.798SS**  trans-162.7131.9136.557.10000113.3
668F27.3Very low28.1Very low188 Ų188138.3 Ų138.383%0.82580%0.802SS**  trans-37.6148.7158.1-93.1-120.1000114.2
669I29.7Very low28.2Very low162 Ų162136.3 Ų136.383%0.83181%0.806SS**  -143.9144.1120.2-102.6160.3000108.8
670D25.6Very low28.2Very low122 Ų122135.1 Ų135.165%0.65280%0.803SS**  trans-98.1133.7-174.7-169.82.8000109.8
671T29.1Very low28.2Very low130 Ų130137 Ų13780%0.79880%0.803SS**  trans-142.386168.946.80000110.7
672Q27.9Very low28.3Very low154 Ų154141 Ų14172%0.7281%0.807SS**  trans-75.8124.7166.9-170.5177.810.100110.1
673C26.3Very low29.2Very low130 Ų130138.1 Ų138.188%0.87880%0.799SS**  trans-128.5101.1165.7-880000109.7
674D26.5Very low29.2Very low141 Ų141141.6 Ų141.675%0.75481%0.81SS**  trans-71.3141.2165.6-102.2-48.5000110.8
675S30.4Very low29.4Very low115 Ų115137.5 Ų137.580%0.80480%0.802SS**  trans-152.392.2154.463.60000110.9
676S28.9Very low29.4Very low112 Ų112142.5 Ų142.578%0.78380%0.803SS**  trans-77.5128.1168.157.40000111.1
677I28.6Very low29.4Very low167 Ų167142.7 Ų142.786%0.85680%0.8SS**  trans-125.9122.3158.5-69.2-179.2000108.8
678S29Very low29.4Very low118 Ų118143.7 Ų143.783%0.82579%0.792SS**  trans-113.4133.617057.80000109.5
679S28.6Very low29.4Very low121 Ų121144.8 Ų144.885%0.84680%0.796SS**  trans-142.6138.6160.459.70000111.5
680Y29.8Very low29.5Very low224 Ų224142.5 Ų142.588%0.87879%0.786SS**  trans-94.6142.8-170.5-133.3-111.1000110.2
681S26.3Very low29.7Very low122 Ų122146.5 Ų146.585%0.85380%0.797SS**  trans-155.9148.3148.263.10000112.6
682K29.8Very low29.8Very low184 Ų184147.7 Ų147.780%0.880%0.799SS**  trans-165.8170.5-174.3-112.5-163.3179.3-175.10105.6
683P49.9Very low30Very low106 Ų106145.7 Ų145.769%0.68880%0.802SS**  cis-130.3-178.3-48.638.7-22.2000111.4
684D26.8Very low30.2Very low173 Ų173149.2 Ų149.293%0.92580%0.802SS**  trans-178.7151.6152.2-92.4-28.8000107.4
685G30.7Very low30.4Very low61 Ų61147.2 Ų147.263%0.62981%0.805SS**  cis161.4133-7.200000111.2
686Y27.5Very low30.3Very low230 Ų230147.3 Ų147.390%0.90281%0.806SS**  trans70.1147171.4-88.7-121.2000118.7
687V29.2Very low30.3Very low121 Ų121146.9 Ų146.973%0.73381%0.809SS**  cis-154.3170.1-13.698.30000112.7
688Q30.2Very low30.4Very low137 Ų137144.3 Ų144.364%0.6481%0.806SS**  trans-82.9158.7-172.5-165.6147.6-20.900116
689F26.3Very low30.5Very low211 Ų211144.6 Ų144.693%0.92581%0.808SS**  trans-160.1135.9136.5-117.1-73.2000113.2
690D32.5Very low30.7Very low114 Ų114144 Ų14461%0.6180%0.804SS**  trans-89.7153.5-178.5-56.8-75.2000113.9
691K29.8Very low30.7Very low206 Ų206139 Ų13990%0.89680%0.802SS**  178.9128.8108.9-103.9176.3175.9173.30115.8
692D31.8Very low31.1Very low154 Ų154141.9 Ų141.982%0.82480%0.801SS**  trans-77.3154.8157.5-78.2-52.8000112.6
693S31Very low31.1Very low112 Ų112144.2 Ų144.278%0.78381%0.807SS**  -173.3112.5127.2-82.20000114.2
694K31.1Very low30.1Very low205 Ų205142.9 Ų142.989%0.89180%0.8SS**  22.2128.8126.5-71.9175.4172.6173.50119.2
695A29.3Very low30.5Very low99 Ų99143.3 Ų143.382%0.81880%0.796SS**  -176.1138.598.900000114
696S29.3Very low30.5Very low117 Ų117145.6 Ų145.682%0.81880%0.802SS**  trans-49.8150.1165.948.60000117.1
697A29.7Very low30.8Very low103 Ų103139.9 Ų139.985%0.85180%0.796SS**  -171.8150113.100000113.7
698S30.3Very low30.8Very low113 Ų113139.7 Ų139.779%0.7980%0.8SS**  trans-81.6154174.251.50000113.9
699S29.8Very low31.1Very low123 Ų123141.5 Ų141.586%0.8681%0.809SS**  -168.2149.4126.850.30000113
700S32.8Very low31.4Very low109 Ų109138.3 Ų138.376%0.76280%0.801SS**  trans-98.2158.1172.454.10000110.9
701S30.4Very low31.4Very low120 Ų120138.6 Ų138.684%0.83981%0.812SS**  -174147.6129.928.60000112.5
702H34Very low31.6Very low181 Ų181135.8 Ų135.884%0.83881%0.807SS**  trans-71.1158.4168.4-67-107.1000111.3
703Y30.3Very low31.6Very low233 Ų233135.6 Ų135.691%0.91481%0.805SS**  -152.9167.9123.8-118.2-81.3000111.1
704S30.1Very low31.7Very low78 Ų78135.7 Ų135.755%0.54580%0.801SS.*  trans-129.9168.2-153.7500000113.7
705Q34.8Very low32Very low183 Ų183137.5 Ų137.586%0.85580%0.802SS**  trans68.7156.4159.1-75.2170.94.100116.3
706S30.2Very low32.8Very low108 Ų108138.1 Ų138.176%0.75580%0.798SS**  cis-159.5168.5-4.137.10000112.1
707S33.2Very low32.9Very low110 Ų110141.3 Ų141.377%0.76981%0.805SS**  trans-55.6149.3174.953.20000119.7
708S30.8Very low33.2Very low117 Ų117144 Ų14482%0.81880%0.8SS**  trans-173.8126.713044.90000107.9
709Q35.6Very low33.3Very low175 Ų175147.4 Ų147.482%0.81880%0.801SS**  cis80.3123.150-122-17022.400116.3
710N32.8Very low33.3Very low144 Ų144152.3 Ų152.377%0.7780%0.8SS**  trans70.1132.5167.7-55.5-13.1000117
711S32.6Very low33.3Very low120 Ų120155.4 Ų155.484%0.83981%0.805SS**  -159.2158.156.649.70000115.8
712D32.7Very low33.5Very low147 Ų147158 Ų15879%0.78680%0.804SS**  trans-72.3156.1172.9-66.4-74.5000114.7
713L33.3Very low33.9Very low151 Ų151155.1 Ų155.179%0.79180%0.799SS**  160.7109.2111.5-94.3133.9000114.4
714T32.4Very low34Very low114 Ų114152.7 Ų152.770%0.69980%0.796SS**  trans34.5119.8134.767.70000122.2
715R37Very low34.4Very low242 Ų242158.9 Ų158.991%0.91383%0.83SS**  159.1160.7103.5-98.8-151.4168.3173.8-1.8112.3
716P46.8Very low34.4Very low112 Ų112157.7 Ų157.773%0.72783%0.828SS**  trans-104.5164.4-154.639.9-35.9000114.9
717L31.6Very low34.6Very low184 Ų184160.3 Ų160.396%0.96383%0.832SS**  trans-122.8146.5159.6-87.8169.2000111.7
718Q35.2Very low34.7Very low160 Ų160163.1 Ų163.175%0.74884%0.836SS**  trans-111.1152.8-167.2-142.5-173.71700110.1
719K32.8Very low34.9Very low184 Ų184165.8 Ų165.880%0.884%0.837SS**  trans69.6154.6171.3-57.5168.2175.2170.10113.6
720R30.1Very low34.9Very low226 Ų226165.3 Ų165.385%0.85384%0.838SS**  cis-150.4155.717.6-161.9-179.6-179.9152.3-2.5111.1
721M33.4Very low35Very low175 Ų175166.7 Ų166.786%0.86284%0.842SS**  trans-53.9141.9159.5-68162.1149.800111.4
722Q33.7Very low35.2Very low175 Ų175170 Ų17082%0.81884%0.843SS**  -160.2142.2115.7-116.7167.8-30.100113.5
723T41.7Very low35.4Very low119 Ų119171.8 Ų171.873%0.7385%0.847SS**  trans-53.6149.9168.646.90000113.6
724H32.8Very low35.6Very low183 Ų183173.5 Ų173.585%0.84785%0.852SS**  trans-154.4130.8147.1-113-72.6000113
725V39.7Very low35.9Very low208 Ų208178.9 Ų178.9100%1.26187%0.866SS**  trans64.20164.4-163.20000116.8

Retrieved 725 of 725 residues in 235 ms (Link to these results)

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