A0A024QZT0_HUMAN Loading...

Non-selective voltage-gated ion channel VDAC2

Catalyzes the scrambling of phospholipids across the outer mitochondrial membrane; the mechanism is unrelated to channel activity and is capable of translocating both anionic and zwitterionic phospholipids.

AlphaFold DB (P45880), UniProt , Accession A0A024QZT0, Species HUMAN (Homo sapiens, Human), Gene VDAC2, Length 294 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
1M35.2Very low38Very low243 Ų243142 Ų142100%1.19783%0.828SS**  0105.60-89.4171.216600107.4T3M1-T3 PolarHBondContact O-N 3.04Å
2A33.8Very low39.7Very low105 Ų105139.2 Ų139.287%0.86880%0.804SS**PPolyproline II helixtrans-68.5120.4176.900000108.4H4A2-H4 PolarHBondContact O-N 2.91Å
3T34.8Very low43.1Very low138 Ų138135 Ų13585%0.84779%0.786SS**PPolyproline II helixtrans-62117.7176.2400000109.1M1 G5M1-T3 PolarHBondContact O-N 3.04Å; T3-G5 PolarHBondContact O-N 3.38Å
4H36.4Very low46.6Very low186 Ų186131.5 Ų131.586%0.86176%0.761SS**PPolyproline II helixtrans-48121.7170.5-100.6-64.3000109.5A2 Q6A2-H4 PolarHBondContact O-N 2.91Å; H4-Q6 PolarHBondContact O-N 3.01Å
5G34Very low49.8Very low65 Ų65123.1 Ų123.167%0.6771%0.713SS**  trans-56.2113.2171.500000109.1T3 T7T3-G5 PolarHBondContact O-N 3.38Å; G5-T7 VanDerWaalsContact C-N 3.26Å; G5-T7 PolarHBondContact O-N 2.97Å
6Q34.5Very low52.6Low188 Ų188117.8 Ų117.888%0.87968%0.684SS**  trans-61.499.6158-78.4179.2-26.700105.7H4 C8H4-Q6 PolarHBondContact O-N 3.01Å; Q6-C8 PolarHBondContact O-N 3.22Å
7T35.1Very low55.2Low135 Ų135112.7 Ų112.783%0.82866%0.657SS**  trans-56.797.3157.542.10000105.3G5 A9G5-T7 VanDerWaalsContact C-N 3.26Å; G5-T7 PolarHBondContact O-N 2.97Å; T7-A9 VanDerWaalsContact C-N 3.27Å; T7-A9 PolarHBondContact O-N 2.69Å
8C31.9Very low57.5Low117 Ų117107.7 Ų107.779%0.79163%0.625SS**  trans-57.997.8173.5-1700000105.9Q6 R10Q6-C8 PolarHBondContact O-N 3.22Å; C8-R10 PolarHBondContact O-N 3.03Å
9A42.1Very low59.5Low87 Ų87105.3 Ų105.372%0.71962%0.619SS**  trans-54.1109.8174.200000105.8T7T7-A9 VanDerWaalsContact C-N 3.27Å; T7-A9 PolarHBondContact O-N 2.69Å
10R49Very low61.3Low177 Ų177103.4 Ų103.467%0.66861%0.606SS**  trans-53132.8178.9-84.7179.1167.5178.8-2.7107C8 M12C8-R10 PolarHBondContact O-N 3.03Å; R10-M12 PolarHBondContact O-N 2.97Å; R10-M12 VanDerWaalsContact O-N 3.09Å
11P50.9Low62.9Low121 Ų12198.8 Ų98.879%0.78658%0.579SS**  trans-52.2122.4-172.2-20.626.7000110C13P11-C13 VanDerWaalsContact C-N 3.31Å; P11-C13 PolarHBondContact O-N 3.01Å
12M59Low65.7Low108 Ų10887.6 Ų87.653%0.53253%0.526SS..  trans-66.694.4175.7-69.2-165.3-70.700107.9R10 E132 C133R10-M12 PolarHBondContact O-N 2.97Å; R10-M12 VanDerWaalsContact O-N 3.09Å; M12-E132 HydrophobicContact CB-CB 4.05Å; M12-E132 HydrophobicContact CB-CG 4.41Å; M12-E132 WeakPolarHBondContact CE-OE2 3.14Å; M12-C133 VanDerWaalsContact SD-SG 3.64Å
13C83.1Confident68.7Low85 Ų8586.3 Ų86.357%0.57450%0.501SS*.PPolyproline II helixtrans-79.4146.9-175.7-1680000110.2P11 P15 C133P11-C13 VanDerWaalsContact C-N 3.31Å; P11-C13 PolarHBondContact O-N 3.01Å; C13-P15 WeakPolarHBondContact O-CD 3.17Å; C13-C133 PolarHBondContact O-N 3.28Å
14I92.1Very high71.5Confident86 Ų8680.8 Ų80.844%0.44147%0.469SS..PPolyproline II helixtrans-65.9119.5168.3-60.4175.5000107.5K130I14-K130 HydrophobicContact CG2-CB 3.78Å; I14-K130 HydrophobicContact CG2-CD 4.34Å; I14-K130 HydrophobicContact CG2-CG 4.21Å
15P94.7Very high74.4Confident6 Ų672 Ų724%0.03943%0.429CS..PPolyproline II helixtrans-67.6155.1179.526.3-30.7000111.3C13 N135 V154 L161C13-P15 WeakPolarHBondContact O-CD 3.17Å; P15-N135 HydrophobicContact CG-CB 3.89Å; P15-N135 WeakPolarHBondContact O-CB 3.22Å; P15-N135 PolarHBondContact O-ND2 2.87Å; P15-V154 HydrophobicContact CB-CB 4.46Å; P15-V154 HydrophobicContact CB-CG1 3.87Å; P15-V154 HydrophobicContact CG-CG1 4.47Å; P15-L161 HydrophobicContact CB-CD2 3.87Å
16P95.3Very high77.3Confident38 Ų3874.2 Ų74.225%0.24742%0.417CS..PPolyproline II helixtrans-62.6163.8174.629.5-36.4000111.3D20 L21 N135 L161P16-D20 HydrophobicContact CB-CB 3.82Å; P16-L21 HydrophobicContact CG-CD2 3.81Å; P16-N135 PolarHBondContact O-ND2 3.19Å; P16-L161 HydrophobicContact CG-CD1 4.2Å
17S96.1Very high80.3Confident31 Ų3167 Ų6722%0.21739%0.385CS..PPolyproline II helixtrans-64.2159.9168.476.80000109.8A19 D20 L21 N135S17-A19 PolarHBondContact O-N 3.23Å; S17-A19 PolarHBondContact OG-N 3.11Å; S17-D20 PolarHBondContact O-N 3.1Å; S17-D20 PolarHBondContact OG-N 3.43Å; S17-D20 PolarHBondContact OG-OD2 3.18Å; S17-L21 PolarHBondContact O-N 3.31Å; S17-N135 PolarHBondContact N-ND2 2.92Å; S17-N135 VanDerWaalsContact N-ND2 3.19Å
18Y96.7Very high83.2Confident22 Ų2261.3 Ų61.39%0.08635%0.349CS..G310 helixtrans-55.6-40.3175.7-174-82.5000111.5D20 L21 V154 Q165 N179 A181Y18-D20 PolarHBondContact O-N 3.35Å; Y18-L21 HydrophobicContact CD2-CD1 3.92Å; Y18-L21 HydrophobicContact CE2-CD1 4.24Å; Y18-L21 HydrophobicContact CG-CD1 4.32Å; Y18-L21 WeakPolarHBondContact O-CB 3.25Å; Y18-L21 PolarHBondContact O-N 3.46Å; Y18-L21 VanDerWaalsContact O-N 3.16Å; Y18-V154 HydrophobicContact CD2-CG2 4.42Å; Y18-Q165 HydrophobicContact CD1-CB 3.54Å; Y18-Q165 HydrophobicContact CD1-CG 4.16Å; Y18-Q165 HydrophobicContact CD2-CB 3.85Å; Y18-Q165 HydrophobicContact CE1-CB 3.51Å; Y18-Q165 HydrophobicContact CE1-CG 4.27Å; Y18-Q165 HydrophobicContact CE2-CB 3.81Å; Y18-Q165 HydrophobicContact CG-CB 3.73Å; Y18-N179 HydrophobicContact CE1-CB 4.38Å; Y18-N179 WeakPolarHBondContact OH-CB 3.48Å; Y18-A181 HydrophobicContact CE2-CB 3.9Å
19A95Very high86.3Confident62 Ų6257 Ų5751%0.51232%0.317SS..G310 helixtrans-65.8-17.8178.600000113.7S17 R26S17-A19 PolarHBondContact O-N 3.23Å; S17-A19 PolarHBondContact OG-N 3.11Å; A19-R26 PolarHBondContact O-NH1 3.18Å; A19-R26 PolarHBondContact O-NH2 2.9Å
20D95.7Very high88.9Confident67 Ų6757.8 Ų57.836%0.35831%0.309SS..G310 helixtrans-100.1-0.8178.6-65.6-45.8000113P16 S17 Y18 G22 K23P16-D20 HydrophobicContact CB-CB 3.82Å; S17-D20 PolarHBondContact O-N 3.1Å; S17-D20 PolarHBondContact OG-N 3.43Å; S17-D20 PolarHBondContact OG-OD2 3.18Å; Y18-D20 PolarHBondContact O-N 3.35Å; D20-G22 PolarHBondContact O-N 2.95Å; D20-K23 HydrophobicContact CB-CB 4.44Å; D20-K23 HydrophobicContact CB-CD 4.2Å; D20-K23 WeakPolarHBondContact O-CB 3.41Å; D20-K23 PolarHBondContact O-N 2.83Å; D20-K23 VanDerWaalsContact O-N 3.1Å; D20-K23 WeakPolarHBondContact OD1-CD 3.49Å
21L95.2Very high91.1Very high7 Ų755.2 Ų55.24%0.03730%0.303CS..THydrogen-bonded Turntrans-61.4138.2169.6-65.6172.8000109.9P16 S17 Y18 K23 R26 V154 L161 A181 H192P16-L21 HydrophobicContact CG-CD2 3.81Å; S17-L21 PolarHBondContact O-N 3.31Å; Y18-L21 HydrophobicContact CD2-CD1 3.92Å; Y18-L21 HydrophobicContact CE2-CD1 4.24Å; Y18-L21 HydrophobicContact CG-CD1 4.32Å; Y18-L21 WeakPolarHBondContact O-CB 3.25Å; Y18-L21 PolarHBondContact O-N 3.46Å; Y18-L21 VanDerWaalsContact O-N 3.16Å; L21-K23 PolarHBondContact O-N 2.62Å; L21-K23 VanDerWaalsContact O-N 3.08Å; L21-R26 PolarHBondContact O-NH2 3.03Å; L21-V154 HydrophobicContact CD1-CG2 4.11Å; L21-V154 HydrophobicContact CD2-CG1 4.15Å; L21-L161 HydrophobicContact CD2-CB 4.21Å; L21-L161 HydrophobicContact CD2-CD1 3.92Å; L21-A181 HydrophobicContact CD1-CB 3.65Å; L21-H192 VanDerWaalsContact CB-CE1 3.46Å; L21-H192 WeakPolarHBondContact CB-CE1 3.24Å
22G94.4Very high93.1Very high9 Ų950.3 Ų50.39%0.09327%0.274CS..THydrogen-bonded Turntrans62.713-174.300000114.9D20 A24 A25 R26D20-G22 PolarHBondContact O-N 2.95Å; G22-A24 VanDerWaalsContact C-N 3.31Å; G22-A24 PolarHBondContact O-N 2.77Å; G22-A25 PolarHBondContact O-N 2.8Å; G22-R26 PolarHBondContact O-N 2.75Å; G22-R26 VanDerWaalsContact O-N 3.08Å
23K95.9Very high94.9Very high78 Ų7846.6 Ų46.634%0.33926%0.255SS..Hα-helixtrans-61.9-35.9-176.6-179.6174-175.9-61.80113.1D20 L21 A25 R26 D27D20-K23 HydrophobicContact CB-CB 4.44Å; D20-K23 HydrophobicContact CB-CD 4.2Å; D20-K23 WeakPolarHBondContact O-CB 3.41Å; D20-K23 PolarHBondContact O-N 2.83Å; D20-K23 VanDerWaalsContact O-N 3.1Å; D20-K23 WeakPolarHBondContact OD1-CD 3.49Å; L21-K23 PolarHBondContact O-N 2.62Å; L21-K23 VanDerWaalsContact O-N 3.08Å; K23-A25 PolarHBondContact O-N 2.82Å; K23-R26 PolarHBondContact O-N 2.83Å; K23-D27 IonicContact NZ-OD1 2.69Å; K23-D27 IonicContact NZ-OD2 2.79Å; K23-D27 PolarHBondContact NZ-OD2 2.85Å; K23-D27 VanDerWaalsContact O-CB 3.26Å; K23-D27 WeakPolarHBondContact O-CB 3.48Å; K23-D27 VanDerWaalsContact O-CG 3.25Å; K23-D27 PolarHBondContact O-N 3.2Å
24A94.9Very high95.4Very high21 Ų2143.5 Ų43.517%0.17424%0.238CC..Hα-helixtrans-59.7-48.9178.100000111.7G22 D27 I28 Y206G22-A24 VanDerWaalsContact C-N 3.31Å; G22-A24 PolarHBondContact O-N 2.77Å; A24-D27 PolarHBondContact O-N 3.39Å; A24-I28 PolarHBondContact O-N 2.81Å; A24-Y206 HydrophobicContact CB-CD1 3.89Å; A24-Y206 HydrophobicContact CB-CD2 4.08Å; A24-Y206 HydrophobicContact CB-CE1 4.36Å; A24-Y206 HydrophobicContact CB-CG 3.73Å
25A96Very high95.6Very high3 Ų341.4 Ų41.43%0.02523%0.225CC..Hα-helixtrans-59.9-50.1175.200000111.4G22 K23 D27 I28 F29 S216G22-A25 PolarHBondContact O-N 2.8Å; K23-A25 PolarHBondContact O-N 2.82Å; A25-D27 VanDerWaalsContact C-N 3.28Å; A25-D27 PolarHBondContact O-N 3.29Å; A25-I28 PolarHBondContact O-N 3.41Å; A25-I28 VanDerWaalsContact O-N 3.17Å; A25-F29 WeakPolarHBondContact O-CD2 3.28Å; A25-F29 PolarHBondContact O-N 2.89Å; A25-S216 VanDerWaalsContact CA-OG 3.26Å; A25-S216 WeakPolarHBondContact CA-OG 3.13Å; A25-S216 WeakPolarHBondContact CB-OG 3.27Å; A25-S216 PolarHBondContact O-OG 2.77Å
26R96.2Very high95.6Very high110 Ų11041.1 Ų41.142%0.41522%0.224SC..Hα-helixtrans-59.1-37.5177.9-73.2-174.3-68.7150.8-1.9112.8A19 L21 G22 K23 I28 F29 N30A19-R26 PolarHBondContact O-NH1 3.18Å; A19-R26 PolarHBondContact O-NH2 2.9Å; L21-R26 PolarHBondContact O-NH2 3.03Å; G22-R26 PolarHBondContact O-N 2.75Å; G22-R26 VanDerWaalsContact O-N 3.08Å; K23-R26 PolarHBondContact O-N 2.83Å; R26-I28 VanDerWaalsContact C-N 3.31Å; R26-I28 PolarHBondContact O-N 2.85Å; R26-F29 PolarHBondContact O-N 2.83Å; R26-N30 WeakPolarHBondContact O-CB 3.4Å; R26-N30 PolarHBondContact O-N 2.87Å; R26-N30 VanDerWaalsContact O-N 3.08Å; R26-N30 PolarHBondContact O-ND2 3.05Å
27D96.9Very high95.6Very high37 Ų3742.1 Ų42.120%0.19823%0.226CC..Hα-helixtrans-62.7-38.5179.8-84.1-5.6000110.9K23 A24 A25 F29 N30 K31K23-D27 IonicContact NZ-OD1 2.69Å; K23-D27 IonicContact NZ-OD2 2.79Å; K23-D27 PolarHBondContact NZ-OD2 2.85Å; K23-D27 VanDerWaalsContact O-CB 3.26Å; K23-D27 WeakPolarHBondContact O-CB 3.48Å; K23-D27 VanDerWaalsContact O-CG 3.25Å; K23-D27 PolarHBondContact O-N 3.2Å; A24-D27 PolarHBondContact O-N 3.39Å; A25-D27 VanDerWaalsContact C-N 3.28Å; A25-D27 PolarHBondContact O-N 3.29Å; D27-F29 VanDerWaalsContact C-N 3.31Å; D27-F29 PolarHBondContact O-N 2.8Å; D27-N30 PolarHBondContact O-N 2.79Å; D27-K31 HydrophobicContact CB-CD 3.94Å; D27-K31 HydrophobicContact CB-CG 4.37Å; D27-K31 VanDerWaalsContact CG-NZ 3.35Å; D27-K31 VanDerWaalsContact O-CB 3.29Å; D27-K31 WeakPolarHBondContact O-CB 3.31Å; D27-K31 PolarHBondContact O-N 3.23Å; D27-K31 WeakPolarHBondContact OD1-CE 3.38Å; D27-K31 IonicContact OD1-NZ 2.71Å; D27-K31 VanDerWaalsContact OD2-CE 3.3Å; D27-K31 WeakPolarHBondContact OD2-CE 3.29Å; D27-K31 IonicContact OD2-NZ 2.68Å; D27-K31 PolarHBondContact OD2-NZ 3.34Å
28I97Very high95.7Very high15 Ų1544.1 Ų44.18%0.07724%0.237CC..Hα-helixtrans-65.8-32.5175.7-55.9-55.1000112.1A24 A25 R26 F33 Y206 D214 A233 K235A24-I28 PolarHBondContact O-N 2.81Å; A25-I28 PolarHBondContact O-N 3.41Å; A25-I28 VanDerWaalsContact O-N 3.17Å; R26-I28 VanDerWaalsContact C-N 3.31Å; R26-I28 PolarHBondContact O-N 2.85Å; I28-F33 WeakPolarHBondContact O-CE2 3.31Å; I28-Y206 HydrophobicContact CD1-CD2 4.49Å; I28-Y206 HydrophobicContact CD1-CE2 4.15Å; I28-Y206 HydrophobicContact CG1-CD2 3.87Å; I28-Y206 HydrophobicContact CG1-CE2 4.03Å; I28-D214 HydrophobicContact CD1-CB 3.73Å; I28-D214 HydrophobicContact CG1-CB 4.44Å; I28-A233 HydrophobicContact CG2-CB 3.76Å; I28-K235 HydrophobicContact CD1-CB 4.2Å
29F96.9Very high95.7Very high28 Ų2846.6 Ų46.612%0.12325%0.248CC..Hα-helixtrans-79.1-20.6176.3-81.8-85.9000114.2A25 R26 D27 F33 S216 N218 G231 A233 K247A25-F29 WeakPolarHBondContact O-CD2 3.28Å; A25-F29 PolarHBondContact O-N 2.89Å; R26-F29 PolarHBondContact O-N 2.83Å; D27-F29 VanDerWaalsContact C-N 3.31Å; D27-F29 PolarHBondContact O-N 2.8Å; F29-F33 VanDerWaalsContact O-CD2 3.25Å; F29-F33 WeakPolarHBondContact O-CD2 3.49Å; F29-S216 WeakPolarHBondContact CE2-OG 3.28Å; F29-N218 HydrophobicContact CD2-CB 4.44Å; F29-N218 HydrophobicContact CE2-CB 3.78Å; F29-N218 HydrophobicContact CZ-CB 3.95Å; F29-G231 VanDerWaalsContact CZ-C 3.49Å; F29-G231 WeakPolarHBondContact CZ-O 3.36Å; F29-A233 HydrophobicContact CD1-CB 3.67Å; F29-A233 HydrophobicContact CD2-CB 3.92Å; F29-A233 HydrophobicContact CE1-CB 3.56Å; F29-A233 HydrophobicContact CE2-CB 3.83Å; F29-A233 HydrophobicContact CG-CB 3.84Å; F29-A233 HydrophobicContact CZ-CB 3.64Å; F29-K247 HydrophobicContact CD1-CB 4.32Å; F29-K247 HydrophobicContact CD1-CD 4.2Å; F29-K247 HydrophobicContact CE1-CB 4.46Å; F29-K247 WeakPolarHBondContact O-CD 3.41Å; F29-K247 PolarHBondContact O-NZ 2.82Å
30N96.1Very high95.9Very high103 Ų10347.4 Ų47.455%0.55124%0.244SC*.Hα-helixtrans-115.2-41.3-168.6-68.5-51.8000113.8R26 D27 F33R26-N30 WeakPolarHBondContact O-CB 3.4Å; R26-N30 PolarHBondContact O-N 2.87Å; R26-N30 VanDerWaalsContact O-N 3.08Å; R26-N30 PolarHBondContact O-ND2 3.05Å; D27-N30 PolarHBondContact O-N 2.79Å; N30-F33 PolarHBondContact O-N 2.87Å
31K95.2Very high95.9Very high123 Ų12345.2 Ų45.254%0.53523%0.232SC..THydrogen-bonded Turntrans-72.3142.7-179.7-66.1-179.4173.9168.80110.1D27 F33D27-K31 HydrophobicContact CB-CD 3.94Å; D27-K31 HydrophobicContact CB-CG 4.37Å; D27-K31 VanDerWaalsContact CG-NZ 3.35Å; D27-K31 VanDerWaalsContact O-CB 3.29Å; D27-K31 WeakPolarHBondContact O-CB 3.31Å; D27-K31 PolarHBondContact O-N 3.23Å; D27-K31 WeakPolarHBondContact OD1-CE 3.38Å; D27-K31 IonicContact OD1-NZ 2.71Å; D27-K31 VanDerWaalsContact OD2-CE 3.3Å; D27-K31 WeakPolarHBondContact OD2-CE 3.29Å; D27-K31 IonicContact OD2-NZ 2.68Å; D27-K31 PolarHBondContact OD2-NZ 3.34Å; K31-F33 VanDerWaalsContact C-N 3.28Å; K31-F33 WeakPolarHBondContact O-CD2 3.32Å
32G93.6Very high96.1Very high18 Ų1846.9 Ų46.919%0.18624%0.242CC..THydrogen-bonded Turntrans82.12.3-176.500000114.3
33F95.6Very high96.3Very high30 Ų3051.5 Ų51.513%0.13226%0.26CS..  trans-122.6123.8178.9-54.6-66.7000110.8I28 F29 N30 K31 F35 K247I28-F33 WeakPolarHBondContact O-CE2 3.31Å; F29-F33 VanDerWaalsContact O-CD2 3.25Å; F29-F33 WeakPolarHBondContact O-CD2 3.49Å; N30-F33 PolarHBondContact O-N 2.87Å; K31-F33 VanDerWaalsContact C-N 3.28Å; K31-F33 WeakPolarHBondContact O-CD2 3.32Å; F33-F35 HydrophobicContact CB-CE1 4Å; F33-F35 HydrophobicContact CB-CE2 3.97Å; F33-F35 HydrophobicContact CB-CZ 3.69Å; F33-F35 AromaticContact CD1-CE1 3.6Å; F33-F35 HydrophobicContact CD1-CE1 3.6Å; F33-F35 HydrophobicContact CD1-CE2 4.28Å; F33-F35 AromaticContact CD1-CZ 3.28Å; F33-F35 HydrophobicContact CD1-CZ 3.28Å; F33-F35 HydrophobicContact CE1-CZ 4.09Å; F33-F35 HydrophobicContact CG-CE1 4.19Å; F33-F35 HydrophobicContact CG-CE2 4.27Å; F33-F35 AromaticContact CG-CZ 3.68Å; F33-F35 HydrophobicContact CG-CZ 3.68Å; F33-K247 HydrophobicContact CD2-CD 4.05Å; F33-K247 HydrophobicContact CE1-CD 4.46Å; F33-K247 HydrophobicContact CE1-CG 4.21Å; F33-K247 HydrophobicContact CE2-CD 3.74Å; F33-K247 HydrophobicContact CE2-CG 4.12Å; F33-K247 HydrophobicContact CZ-CB 4.21Å; F33-K247 HydrophobicContact CZ-CD 3.96Å; F33-K247 HydrophobicContact CZ-CG 3.81Å
34G94.3Very high96.3Very high20 Ų2050.5 Ų50.521%0.20626%0.26CS..  trans-13646.4178.100000111.3G36 L37 S271 G287G34-G36 PolarHBondContact O-N 2.79Å; G34-L37 WeakPolarHBondContact O-CB 3.43Å; G34-L37 PolarHBondContact O-N 2.76Å; G34-L37 VanDerWaalsContact O-N 3.09Å; G34-S271 PolarHBondContact N-OG 3.4Å; G34-G287 WeakPolarHBondContact O-CA 3.47Å
35F95.1Very high96.4Very high41 Ų4155.4 Ų55.418%0.1828%0.278CS..THydrogen-bonded Turntrans-58.8126-169.3-50.7-46.1000112.8F33 L37 A272 L273 K285F33-F35 HydrophobicContact CB-CE1 4Å; F33-F35 HydrophobicContact CB-CE2 3.97Å; F33-F35 HydrophobicContact CB-CZ 3.69Å; F33-F35 AromaticContact CD1-CE1 3.6Å; F33-F35 HydrophobicContact CD1-CE1 3.6Å; F33-F35 HydrophobicContact CD1-CE2 4.28Å; F33-F35 AromaticContact CD1-CZ 3.28Å; F33-F35 HydrophobicContact CD1-CZ 3.28Å; F33-F35 HydrophobicContact CE1-CZ 4.09Å; F33-F35 HydrophobicContact CG-CE1 4.19Å; F33-F35 HydrophobicContact CG-CE2 4.27Å; F33-F35 AromaticContact CG-CZ 3.68Å; F33-F35 HydrophobicContact CG-CZ 3.68Å; F35-L37 PolarHBondContact O-N 2.8Å; F35-A272 VanDerWaalsContact CE1-C 3.44Å; F35-A272 WeakPolarHBondContact CE1-O 3.26Å; F35-L273 HydrophobicContact CB-CB 4.06Å; F35-L273 HydrophobicContact CD1-CB 3.78Å; F35-L273 HydrophobicContact CD2-CB 3.85Å; F35-L273 HydrophobicContact CD2-CD1 4.05Å; F35-L273 HydrophobicContact CD2-CD2 4.01Å; F35-L273 HydrophobicContact CD2-CG 4.2Å; F35-L273 HydrophobicContact CE1-CB 4.11Å; F35-L273 HydrophobicContact CE2-CB 4.16Å; F35-L273 HydrophobicContact CE2-CD1 3.74Å; F35-L273 HydrophobicContact CE2-CG 4.37Å; F35-L273 HydrophobicContact CG-CB 3.65Å; F35-L273 HydrophobicContact CG-CD2 4.4Å; F35-L273 HydrophobicContact CG-CG 4.47Å; F35-L273 HydrophobicContact CZ-CB 4.28Å; F35-L273 HydrophobicContact CZ-CD1 4.14Å; F35-K285 HydrophobicContact CB-CB 4.04Å; F35-K285 HydrophobicContact CB-CD 4.48Å
36G95.1Very high96.2Very high1 Ų157 Ų571%0.0129%0.289CS..THydrogen-bonded Turntrans72.318.3178.900000113.6G34 T60 V286G34-G36 PolarHBondContact O-N 2.79Å; G36-T60 WeakPolarHBondContact CA-OG1 3.41Å; G36-T60 PolarHBondContact O-N 2.85Å; G36-T60 PolarHBondContact O-OG1 2.86Å; G36-T60 VanDerWaalsContact O-OG1 3.11Å; G36-V286 VanDerWaalsContact CA-O 3.29Å; G36-V286 WeakPolarHBondContact CA-O 3.3Å; G36-V286 PolarHBondContact N-O 2.82Å
37L96.2Very high95.9Very high58 Ų5858.9 Ų58.930%0.30432%0.317SS..EExtended strand (participates in β ladder)trans-125.6132.9178.4-62.7174.6000110.3G34 F35 S58 N59 G287 L288G34-L37 WeakPolarHBondContact O-CB 3.43Å; G34-L37 PolarHBondContact O-N 2.76Å; G34-L37 VanDerWaalsContact O-N 3.09Å; F35-L37 PolarHBondContact O-N 2.8Å; L37-S58 WeakPolarHBondContact CA-O 3.38Å; L37-N59 HydrophobicContact CD2-CB 4.11Å; L37-G287 CarbonylContact O-C 3.6Å; L37-G287 VanDerWaalsContact O-CA 3.26Å; L37-G287 WeakPolarHBondContact O-CA 3.42Å; L37-L288 PolarHBondContact O-N 3.43Å
38V97.4Very high95.5Very high73 Ų7361.5 Ų61.544%0.44234%0.339SS..EExtended strand (participates in β ladder)trans-99.7111.6159.5-178.90000107.1S57 S58 T60 L288V38-S57 CarbonylContact O-C 3.55Å; V38-S57 VanDerWaalsContact O-CA 3.3Å; V38-S57 WeakPolarHBondContact O-CA 3.35Å; V38-S58 PolarHBondContact N-O 3.22Å; V38-S58 PolarHBondContact O-N 2.98Å; V38-T60 HydrophobicContact CG2-CG2 4.2Å; V38-L288 CarbonylContact C-O 3.53Å; V38-L288 VanDerWaalsContact CA-O 3.26Å; V38-L288 WeakPolarHBondContact CA-O 3.35Å; V38-L288 HydrophobicContact CG1-CD2 4.13Å
39K97.4Very high95.2Very high74 Ų7462 Ų6232%0.32235%0.347SS..EExtended strand (participates in β ladder)trans-119.4139.5-171.9-165.7-178.6-172.7-138.80111.4D41 G56 L288 A289 L290K39-D41 WeakPolarHBondContact CD-OD2 3.39Å; K39-D41 VanDerWaalsContact CE-OD1 3.23Å; K39-D41 WeakPolarHBondContact CE-OD1 3.15Å; K39-D41 WeakPolarHBondContact CE-OD2 3.45Å; K39-D41 IonicContact NZ-OD1 3.06Å; K39-D41 PolarHBondContact NZ-OD1 2.89Å; K39-D41 IonicContact NZ-OD2 2.88Å; K39-D41 PolarHBondContact NZ-OD2 3.39Å; K39-G56 CarbonylContact C-O 3.51Å; K39-G56 WeakPolarHBondContact CA-O 3.47Å; K39-L288 PolarHBondContact N-O 2.83Å; K39-A289 HydrophobicContact CB-CB 4.04Å; K39-A289 CarbonylContact O-C 3.56Å; K39-A289 VanDerWaalsContact O-CA 3.28Å; K39-A289 WeakPolarHBondContact O-CA 3.47Å; K39-L290 PolarHBondContact O-N 3.37Å
40L97.9Very high95.1Very high79 Ų7961.9 Ų61.941%0.41435%0.349SS..EExtended strand (participates in β ladder)trans-126.7121.6169.6176.363.5000108.1V42 S55 G56 L290 L292L40-V42 HydrophobicContact CD1-CG2 4.02Å; L40-V42 HydrophobicContact CD2-CG2 4.3Å; L40-V42 HydrophobicContact CG-CG2 3.94Å; L40-S55 CarbonylContact O-C 3.58Å; L40-S55 VanDerWaalsContact O-CA 3.31Å; L40-S55 WeakPolarHBondContact O-CA 3.07Å; L40-G56 PolarHBondContact N-O 2.87Å; L40-G56 PolarHBondContact O-N 3.49Å; L40-L290 CarbonylContact C-O 3.57Å; L40-L290 WeakPolarHBondContact CA-O 3.36Å; L40-L290 HydrophobicContact CD1-CB 3.98Å; L40-L290 HydrophobicContact CD1-CD2 3.94Å; L40-L290 HydrophobicContact CD1-CG 4.06Å; L40-L292 HydrophobicContact CD1-CD1 4.16Å; L40-L292 HydrophobicContact CD1-CG 4.42Å
41D97.8Very high95.2Very high22 Ų2259.4 Ų59.412%0.11833%0.334CS..EExtended strand (participates in β ladder)trans-115.2127.5171.5-64.9-75.2000108.3K39 S55 L290 E291 L292K39-D41 WeakPolarHBondContact CD-OD2 3.39Å; K39-D41 VanDerWaalsContact CE-OD1 3.23Å; K39-D41 WeakPolarHBondContact CE-OD1 3.15Å; K39-D41 WeakPolarHBondContact CE-OD2 3.45Å; K39-D41 IonicContact NZ-OD1 3.06Å; K39-D41 PolarHBondContact NZ-OD1 2.89Å; K39-D41 IonicContact NZ-OD2 2.88Å; K39-D41 PolarHBondContact NZ-OD2 3.39Å; D41-S55 VanDerWaalsContact OD1-CB 3.22Å; D41-S55 WeakPolarHBondContact OD1-CB 3.34Å; D41-L290 PolarHBondContact N-O 2.77Å; D41-E291 HydrophobicContact CB-CG 4.34Å; D41-E291 CarbonylContact O-C 3.53Å; D41-E291 WeakPolarHBondContact O-CA 3.3Å; D41-L292 PolarHBondContact O-N 3.43Å
42V98.2Very high95.3Very high41 Ų4157.1 Ų57.125%0.24832%0.324CS..EExtended strand (participates in β ladder)trans-126.8117.5178.1-173.50000108.6L40 T44 S53 T54 L292L40-V42 HydrophobicContact CD1-CG2 4.02Å; L40-V42 HydrophobicContact CD2-CG2 4.3Å; L40-V42 HydrophobicContact CG-CG2 3.94Å; V42-T44 HydrophobicContact CG1-CG2 4.18Å; V42-S53 CarbonylContact O-C 3.56Å; V42-S53 WeakPolarHBondContact O-CA 3.35Å; V42-T54 PolarHBondContact N-O 3.21Å; V42-T54 PolarHBondContact O-N 2.93Å; V42-L292 CarbonylContact C-O 3.47Å; V42-L292 WeakPolarHBondContact CA-O 3.44Å; V42-L292 HydrophobicContact CG1-CB 4.33Å; V42-L292 HydrophobicContact CG2-CB 4.31Å; V42-L292 HydrophobicContact CG2-CD1 4.13Å
43K97.8Very high95.5Very high106 Ų10657.7 Ų57.746%0.46133%0.325SS..EExtended strand (participates in β ladder)trans-112.5129.1174.2-66.7178.8-177.5173.70109.2F52 L292 E293 A294K43-F52 CarbonylContact C-O 3.55Å; K43-F52 VanDerWaalsContact CA-O 3.3Å; K43-F52 WeakPolarHBondContact CA-O 3.31Å; K43-L292 PolarHBondContact N-O 2.86Å; K43-E293 HydrophobicContact CB-CG 4.26Å; K43-E293 CarbonylContact O-C 3.51Å; K43-E293 VanDerWaalsContact O-CA 3.29Å; K43-E293 WeakPolarHBondContact O-CA 3.28Å; K43-A294 PolarHBondContact O-N 3.15Å
44T97.1Very high95.6Very high57 Ų5759.5 Ų59.535%0.3534%0.339SS..EExtended strand (participates in β ladder)trans-131.6151.1174.763.70000110.8V42 E51 F52 A294V42-T44 HydrophobicContact CG1-CG2 4.18Å; T44-E51 CarbonylContact O-C 3.58Å; T44-E51 WeakPolarHBondContact O-CA 3.37Å; T44-F52 PolarHBondContact N-O 2.81Å; T44-F52 PolarHBondContact O-N 2.87Å; T44-A294 CarbonylContact C-O 3.48Å; T44-A294 VanDerWaalsContact CA-O 3.23Å; T44-A294 WeakPolarHBondContact CA-O 3.34Å; T44-A294 HydrophobicContact CG2-CB 4.41Å
45K95.9Very high95.7Very high125 Ų12559.7 Ų59.754%0.54334%0.337SS..EExtended strand (participates in β ladder)trans-122.5121.6171.4-169171.4-179.8171.30110.9E51 A294K45-E51 HydrophobicContact CD-CG 4.17Å; K45-E51 HydrophobicContact CG-CG 4.13Å; K45-A294 PolarHBondContact N-O 3.2Å
46S93.2Very high95.8Very high36 Ų3658.9 Ų58.925%0.25234%0.34SS..  trans-66.7157.5173.869.80000111.3S48 G49 V50S46-S48 PolarHBondContact O-N 2.91Å; S46-S48 VanDerWaalsContact O-N 3.15Å; S46-S48 PolarHBondContact OG-OG 3.41Å; S46-G49 PolarHBondContact O-N 3.02Å; S46-G49 PolarHBondContact OG-N 3.46Å; S46-V50 PolarHBondContact N-O 3.07Å; S46-V50 WeakPolarHBondContact OG-CB 3.29Å; S46-V50 PolarHBondContact OG-N 3.35Å; S46-V50 PolarHBondContact OG-O 3.08Å
47C89Confident95.8Very high150 Ų15060 Ų60100%1.01435%0.348SS*.THydrogen-bonded Turntrans-58.5-27.9173.4-570000112.8G49C47-G49 PolarHBondContact O-N 2.95Å
48S88.3Confident95.8Very high92 Ų9259.2 Ų59.264%0.64335%0.347SS*.THydrogen-bonded Turntrans-76.1-4.7175.168.20000114.3S46S46-S48 PolarHBondContact O-N 2.91Å; S46-S48 VanDerWaalsContact O-N 3.15Å; S46-S48 PolarHBondContact OG-OG 3.41Å
49G90.5Very high95.7Very high25 Ų2557.9 Ų57.926%0.25834%0.338SS..SBendtrans92.5-3.8178.400000115.5S46 C47 E51S46-G49 PolarHBondContact O-N 3.02Å; S46-G49 PolarHBondContact OG-N 3.46Å; C47-G49 PolarHBondContact O-N 2.95Å; G49-E51 PolarHBondContact O-N 3.18Å
50V95.6Very high95.3Very high26 Ų2658 Ų5816%0.15834%0.344CS..  trans-65.8125.6171.8-1740000109.5S46 F52 T71 Y73S46-V50 PolarHBondContact N-O 3.07Å; S46-V50 WeakPolarHBondContact OG-CB 3.29Å; S46-V50 PolarHBondContact OG-N 3.35Å; S46-V50 PolarHBondContact OG-O 3.08Å; V50-F52 HydrophobicContact CB-CE2 4.06Å; V50-F52 HydrophobicContact CB-CZ 4.26Å; V50-F52 HydrophobicContact CG1-CD2 4.37Å; V50-F52 HydrophobicContact CG1-CE1 4.11Å; V50-F52 HydrophobicContact CG1-CE2 3.73Å; V50-F52 HydrophobicContact CG1-CZ 3.59Å; V50-T71 HydrophobicContact CG1-CG2 3.57Å; V50-Y73 HydrophobicContact CG2-CD2 3.75Å; V50-Y73 HydrophobicContact CG2-CE2 4.42Å
51E97.3Very high94.9Very high50 Ų5058.7 Ų58.723%0.23435%0.349CS..EExtended strand (participates in β ladder)trans-96.9128.1177.4-66.4167.5-165.700109.1T44 K45 G49 T71 K72 K74T44-E51 CarbonylContact O-C 3.58Å; T44-E51 WeakPolarHBondContact O-CA 3.37Å; K45-E51 HydrophobicContact CD-CG 4.17Å; K45-E51 HydrophobicContact CG-CG 4.13Å; G49-E51 PolarHBondContact O-N 3.18Å; E51-T71 CarbonylContact O-C 3.57Å; E51-T71 WeakPolarHBondContact O-CA 3.48Å; E51-K72 HydrophobicContact CB-CB 4.21Å; E51-K72 PolarHBondContact N-O 2.83Å; E51-K72 PolarHBondContact O-N 2.97Å; E51-K74 IonicContact OE1-NZ 2.65Å; E51-K74 PolarHBondContact OE1-NZ 2.91Å; E51-K74 IonicContact OE2-NZ 2.87Å; E51-K74 PolarHBondContact OE2-NZ 2.8Å
52F97.7Very high94.6Very high76 Ų7662.5 Ų62.533%0.33337%0.373SS..EExtended strand (participates in β ladder)trans-112.8136.1173.1-58.5-88.8000109.1K43 T44 V50 E70 T71K43-F52 CarbonylContact C-O 3.55Å; K43-F52 VanDerWaalsContact CA-O 3.3Å; K43-F52 WeakPolarHBondContact CA-O 3.31Å; T44-F52 PolarHBondContact N-O 2.81Å; T44-F52 PolarHBondContact O-N 2.87Å; V50-F52 HydrophobicContact CB-CE2 4.06Å; V50-F52 HydrophobicContact CB-CZ 4.26Å; V50-F52 HydrophobicContact CG1-CD2 4.37Å; V50-F52 HydrophobicContact CG1-CE1 4.11Å; V50-F52 HydrophobicContact CG1-CE2 3.73Å; V50-F52 HydrophobicContact CG1-CZ 3.59Å; F52-E70 CarbonylContact C-O 3.49Å; F52-E70 WeakPolarHBondContact CA-O 3.16Å; F52-T71 HydrophobicContact CD1-CG2 3.9Å; F52-T71 HydrophobicContact CE1-CG2 3.6Å; F52-T71 HydrophobicContact CZ-CG2 4.32Å
53S97.8Very high94.2Very high29 Ų2963 Ų6320%0.20339%0.387CS..EExtended strand (participates in β ladder)trans-132.2104.1175.8177.30000109V42 E70V42-S53 CarbonylContact O-C 3.56Å; V42-S53 WeakPolarHBondContact O-CA 3.35Å; S53-E70 PolarHBondContact N-O 2.94Å; S53-E70 PolarHBondContact O-N 2.82Å
54T97.7Very high94Very high68 Ų6863.6 Ų63.642%0.41739%0.389SS..EExtended strand (participates in β ladder)trans-101.4126.3175.9-53.90000108.7V42 T68 L69V42-T54 PolarHBondContact N-O 3.21Å; V42-T54 PolarHBondContact O-N 2.93Å; T54-T68 CarbonylContact C-O 3.53Å; T54-T68 VanDerWaalsContact CA-O 3.32Å; T54-T68 WeakPolarHBondContact CA-O 3.43Å; T54-L69 WeakPolarHBondContact OG1-CD1 3.46Å
55S97.1Very high93.8Very high24 Ų2465.5 Ų65.517%0.16840%0.401CS..EExtended strand (participates in β ladder)trans-125.6145.7173.186.60000111L40 D41 G67 T68L40-S55 CarbonylContact O-C 3.58Å; L40-S55 VanDerWaalsContact O-CA 3.31Å; L40-S55 WeakPolarHBondContact O-CA 3.07Å; D41-S55 VanDerWaalsContact OD1-CB 3.22Å; D41-S55 WeakPolarHBondContact OD1-CB 3.34Å; S55-G67 CarbonylContact O-C 3.54Å; S55-G67 VanDerWaalsContact O-CA 3.25Å; S55-G67 WeakPolarHBondContact O-CA 3.3Å; S55-T68 PolarHBondContact N-O 2.76Å; S55-T68 PolarHBondContact O-N 2.87Å; S55-T68 PolarHBondContact OG-OG1 2.87Å
56G96.9Very high93.8Very high25 Ų2561.7 Ų61.726%0.25839%0.388SS..EExtended strand (participates in β ladder)trans-137.8138.717300000109.7K39 L40 T66K39-G56 CarbonylContact C-O 3.51Å; K39-G56 WeakPolarHBondContact CA-O 3.47Å; L40-G56 PolarHBondContact N-O 2.87Å; L40-G56 PolarHBondContact O-N 3.49Å; G56-T66 CarbonylContact C-O 3.52Å; G56-T66 WeakPolarHBondContact CA-O 3.46Å
57S95.6Very high93.9Very high25 Ų2560.8 Ų60.818%0.17538%0.384CS..EExtended strand (participates in β ladder)trans-138.5135.1173.559.20000111.2V38 V65 T66V38-S57 CarbonylContact O-C 3.55Å; V38-S57 VanDerWaalsContact O-CA 3.3Å; V38-S57 WeakPolarHBondContact O-CA 3.35Å; S57-V65 WeakPolarHBondContact O-CA 3.48Å; S57-T66 PolarHBondContact N-O 3.01Å; S57-T66 PolarHBondContact O-N 2.68Å; S57-T66 PolarHBondContact OG-OG1 2.81Å
58S95.8Very high94.3Very high40 Ų4056.5 Ų56.528%0.2835%0.353SS..EExtended strand (participates in β ladder)trans-107.4125.3169.2-176.80000109.4L37 V38L37-S58 WeakPolarHBondContact CA-O 3.38Å; V38-S58 PolarHBondContact N-O 3.22Å; V38-S58 PolarHBondContact O-N 2.98Å
59N94.1Very high94.8Very high46 Ų4655.3 Ų55.325%0.24634%0.34CS..EExtended strand (participates in β ladder)trans-83.8119.8173.6-179.7-72.3000109.9L37 D61 T62 G63 K64L37-N59 HydrophobicContact CD2-CB 4.11Å; N59-D61 VanDerWaalsContact C-N 3.27Å; N59-D61 PolarHBondContact O-N 2.76Å; N59-D61 WeakPolarHBondContact OD1-CB 3.47Å; N59-D61 PolarHBondContact OD1-N 2.77Å; N59-T62 WeakPolarHBondContact CB-OG1 3.42Å; N59-T62 VanDerWaalsContact CG-OG1 3.26Å; N59-T62 PolarHBondContact OD1-N 2.87Å; N59-T62 PolarHBondContact OD1-OG1 2.82Å; N59-G63 VanDerWaalsContact O-CA 3.25Å; N59-G63 WeakPolarHBondContact O-CA 3.17Å; N59-G63 PolarHBondContact O-N 2.81Å; N59-K64 PolarHBondContact N-O 3.38Å
60T90.4Very high95.1Very high75 Ų7556.3 Ų56.346%0.4634%0.338SS..THydrogen-bonded Turntrans-70.5-23.5-173.757.30000113.5G36 V38G36-T60 WeakPolarHBondContact CA-OG1 3.41Å; G36-T60 PolarHBondContact O-N 2.85Å; G36-T60 PolarHBondContact O-OG1 2.86Å; G36-T60 VanDerWaalsContact O-OG1 3.11Å; V38-T60 HydrophobicContact CG2-CG2 4.2Å
61D89.1Confident95.2Very high94 Ų9457 Ų5750%0.50334%0.342SS..THydrogen-bonded Turntrans-82.8-37.3-177.8-57.2-22.3000111.5N59 K285N59-D61 VanDerWaalsContact C-N 3.27Å; N59-D61 PolarHBondContact O-N 2.76Å; N59-D61 WeakPolarHBondContact OD1-CB 3.47Å; N59-D61 PolarHBondContact OD1-N 2.77Å; D61-K285 WeakPolarHBondContact OD2-CE 3.37Å; D61-K285 IonicContact OD2-NZ 2.8Å; D61-K285 PolarHBondContact OD2-NZ 3.39Å
62T91.4Very high95.3Very high103 Ų10356.9 Ų56.963%0.63234%0.341SS*.THydrogen-bonded Turntrans-106.9-14.6-173.559.80000113.7N59 K64N59-T62 WeakPolarHBondContact CB-OG1 3.42Å; N59-T62 VanDerWaalsContact CG-OG1 3.26Å; N59-T62 PolarHBondContact OD1-N 2.87Å; N59-T62 PolarHBondContact OD1-OG1 2.82Å; T62-K64 PolarHBondContact O-N 2.81Å; T62-K64 VanDerWaalsContact O-N 3.17Å; T62-K64 WeakPolarHBondContact OG1-CB 3.18Å; T62-K64 PolarHBondContact OG1-N 2.83Å
63G90.3Very high95.2Very high52 Ų5257.9 Ų57.954%0.53634%0.343SS..  trans68.12.2-169.700000114N59 V65N59-G63 VanDerWaalsContact O-CA 3.25Å; N59-G63 WeakPolarHBondContact O-CA 3.17Å; N59-G63 PolarHBondContact O-N 2.81Å; G63-V65 PolarHBondContact O-N 3.46Å
64K92.5Very high95Very high118 Ų11860.8 Ų60.851%0.51335%0.352SS..  trans-67.6125.9-179.2-172.3177179.8-1790109.7N59 T62 T66N59-K64 PolarHBondContact N-O 3.38Å; T62-K64 PolarHBondContact O-N 2.81Å; T62-K64 VanDerWaalsContact O-N 3.17Å; T62-K64 WeakPolarHBondContact OG1-CB 3.18Å; T62-K64 PolarHBondContact OG1-N 2.83Å; K64-T66 HydrophobicContact CG-CG2 4.45Å
65V94.2Very high94.7Very high97 Ų9762.9 Ų62.959%0.58835%0.352SS*.EExtended strand (participates in β ladder)trans-105.6132.9174.4-176.50000109.2S57 G63S57-V65 WeakPolarHBondContact O-CA 3.48Å; G63-V65 PolarHBondContact O-N 3.46Å
66T94.6Very high94.1Very high45 Ų4566.7 Ų66.728%0.27638%0.377SS..EExtended strand (participates in β ladder)trans-127.7140.7174.853.80000109.7G56 S57 K64 T88G56-T66 CarbonylContact C-O 3.52Å; G56-T66 WeakPolarHBondContact CA-O 3.46Å; S57-T66 PolarHBondContact N-O 3.01Å; S57-T66 PolarHBondContact O-N 2.68Å; S57-T66 PolarHBondContact OG-OG1 2.81Å; K64-T66 HydrophobicContact CG-CG2 4.45Å; T66-T88 WeakPolarHBondContact CA-OG1 3.25Å
67G96.6Very high93.7Very high17 Ų1772.5 Ų72.518%0.17540%0.398CS..EExtended strand (participates in β ladder)trans-131.4150176.500000111.6S55 N87 T88S55-G67 CarbonylContact O-C 3.54Å; S55-G67 VanDerWaalsContact O-CA 3.25Å; S55-G67 WeakPolarHBondContact O-CA 3.3Å; G67-N87 CarbonylContact O-C 3.55Å; G67-N87 VanDerWaalsContact O-CA 3.22Å; G67-N87 WeakPolarHBondContact O-CA 3.16Å; G67-N87 WeakPolarHBondContact O-CB 3.29Å; G67-T88 VanDerWaalsContact N-CG2 3.32Å; G67-T88 PolarHBondContact N-OG1 2.79Å; G67-T88 PolarHBondContact O-N 2.85Å
68T97.2Very high93.4Very high60 Ų6076.8 Ų76.837%0.36841%0.411SS..EExtended strand (participates in β ladder)trans-136.4140.9175.168.30000110.1T54 S55 W86 N87T54-T68 CarbonylContact C-O 3.53Å; T54-T68 VanDerWaalsContact CA-O 3.32Å; T54-T68 WeakPolarHBondContact CA-O 3.43Å; S55-T68 PolarHBondContact N-O 2.76Å; S55-T68 PolarHBondContact O-N 2.87Å; S55-T68 PolarHBondContact OG-OG1 2.87Å; T68-W86 CarbonylContact C-O 3.54Å; T68-W86 WeakPolarHBondContact CA-O 3.1Å; T68-N87 HydrophobicContact CG2-CB 4.12Å
69L97.7Very high93.1Very high67 Ų6775.7 Ų75.735%0.35141%0.406SS..EExtended strand (participates in β ladder)trans-120121166.9174.463.7000107.7T54 K85 W86T54-L69 WeakPolarHBondContact OG1-CD1 3.46Å; L69-K85 CarbonylContact O-C 3.45Å; L69-K85 WeakPolarHBondContact O-CA 3.31Å; L69-W86 PolarHBondContact N-O 2.8Å; L69-W86 PolarHBondContact O-N 2.77Å
70E98Very high93.2Very high46 Ų4675 Ų7522%0.21540%0.402CS..EExtended strand (participates in β ladder)trans-113.3128.4171.4175.6175.5135.300109F52 S53 K72 T83 E84 K85F52-E70 CarbonylContact C-O 3.49Å; F52-E70 WeakPolarHBondContact CA-O 3.16Å; S53-E70 PolarHBondContact N-O 2.94Å; S53-E70 PolarHBondContact O-N 2.82Å; E70-K72 WeakPolarHBondContact OE1-CE 3.36Å; E70-K72 IonicContact OE1-NZ 3.32Å; E70-K72 PolarHBondContact OE1-NZ 2.89Å; E70-T83 HydrophobicContact CG-CG2 3.56Å; E70-E84 CarbonylContact C-O 3.57Å; E70-E84 VanDerWaalsContact CA-O 3.31Å; E70-E84 WeakPolarHBondContact CA-O 3.34Å; E70-K85 HydrophobicContact CB-CG 4.15Å; E70-K85 HydrophobicContact CG-CG 3.95Å; E70-K85 WeakPolarHBondContact OE2-CE 3.28Å
71T97.7Very high93.5Very high41 Ų4172.7 Ų72.725%0.25239%0.388SS..EExtended strand (participates in β ladder)trans-115.1123.9171.8-55.20000108.1V50 E51 F52 T83 E84V50-T71 HydrophobicContact CG1-CG2 3.57Å; E51-T71 CarbonylContact O-C 3.57Å; E51-T71 WeakPolarHBondContact O-CA 3.48Å; F52-T71 HydrophobicContact CD1-CG2 3.9Å; F52-T71 HydrophobicContact CE1-CG2 3.6Å; F52-T71 HydrophobicContact CZ-CG2 4.32Å; T71-T83 CarbonylContact O-C 3.48Å; T71-T83 VanDerWaalsContact O-CA 3.3Å; T71-T83 WeakPolarHBondContact O-CA 3.27Å; T71-E84 PolarHBondContact N-O 2.74Å; T71-E84 PolarHBondContact O-N 2.71Å
72K97.7Very high93.9Very high47 Ų4771.8 Ų71.820%0.20438%0.379CS..EExtended strand (participates in β ladder)trans-121123.4-179.8-178.6176.2-64.1120.10110E51 E70 T81 F82 T83E51-K72 HydrophobicContact CB-CB 4.21Å; E51-K72 PolarHBondContact N-O 2.83Å; E51-K72 PolarHBondContact O-N 2.97Å; E70-K72 WeakPolarHBondContact OE1-CE 3.36Å; E70-K72 IonicContact OE1-NZ 3.32Å; E70-K72 PolarHBondContact OE1-NZ 2.89Å; K72-T81 HydrophobicContact CD-CG2 4Å; K72-T81 HydrophobicContact CG-CG2 3.76Å; K72-F82 CarbonylContact C-O 3.59Å; K72-F82 WeakPolarHBondContact CA-O 3.47Å; K72-T83 HydrophobicContact CB-CG2 4.38Å
73Y96.2Very high94.2Very high97 Ų9766.9 Ų66.938%0.3835%0.35SS..EExtended strand (participates in β ladder)trans-118.2123.3174.8177.7-114.6000109.7V50 W75 T81 F82V50-Y73 HydrophobicContact CG2-CD2 3.75Å; V50-Y73 HydrophobicContact CG2-CE2 4.42Å; Y73-W75 HydrophobicContact CE1-CB 4.17Å; Y73-T81 WeakPolarHBondContact O-CA 3.42Å; Y73-F82 HydrophobicContact CD1-CD2 4.17Å; Y73-F82 PolarHBondContact N-O 3.07Å; Y73-F82 PolarHBondContact O-N 3.21Å
74K93.5Very high94.5Very high90 Ų9068.6 Ų68.639%0.39134%0.343SS..EExtended strand (participates in β ladder)trans-105117.1178.8-68.2171.7-175.9154.10109E51 C76 T81E51-K74 IonicContact OE1-NZ 2.65Å; E51-K74 PolarHBondContact OE1-NZ 2.91Å; E51-K74 IonicContact OE2-NZ 2.87Å; E51-K74 PolarHBondContact OE2-NZ 2.8Å; K74-C76 PolarHBondContact O-N 2.9Å; K74-T81 HydrophobicContact CG-CG2 4.02Å
75W91Very high94.7Very high112 Ų11266.7 Ų66.742%0.42434%0.335SS..EExtended strand (participates in β ladder)trans-96.977.6169.6-163.4-5.8000108.8Y73 E77 Y78 G79 L80 F82Y73-W75 HydrophobicContact CE1-CB 4.17Å; W75-E77 PolarHBondContact O-N 2.65Å; W75-Y78 AromaticContact CD1-CD2 3.75Å; W75-Y78 AromaticContact CD2-CD2 3.82Å; W75-Y78 HydrophobicContact CD2-CD2 3.82Å; W75-Y78 HydrophobicContact CD2-CE2 4.36Å; W75-Y78 AromaticContact CE2-CD2 3.4Å; W75-Y78 VanDerWaalsContact CE2-CD2 3.4Å; W75-Y78 AromaticContact CE2-CE2 3.5Å; W75-Y78 VanDerWaalsContact CE2-CE2 3.5Å; W75-Y78 HydrophobicContact CG-CD2 4.04Å; W75-Y78 HydrophobicContact CH2-CE2 4.4Å; W75-Y78 AromaticContact CZ2-CD2 3.84Å; W75-Y78 HydrophobicContact CZ2-CD2 3.84Å; W75-Y78 AromaticContact CZ2-CE2 3.53Å; W75-Y78 HydrophobicContact CZ2-CE2 3.53Å; W75-Y78 AromaticContact NE1-CD2 3.34Å; W75-Y78 VanDerWaalsContact NE1-CD2 3.34Å; W75-Y78 AromaticContact NE1-CE2 3.47Å; W75-Y78 PolarHBondContact O-N 3.19Å; W75-Y78 VanDerWaalsContact O-N 3.11Å; W75-G79 PolarHBondContact O-N 3.09Å; W75-L80 HydrophobicContact CB-CB 4.11Å; W75-L80 PolarHBondContact N-O 2.92Å; W75-L80 PolarHBondContact O-N 2.81Å; W75-F82 HydrophobicContact CE3-CE2 4.35Å
76C86.1Confident94.9Very high103 Ų10368.3 Ų68.370%0.69633%0.331SS*.G310 helixtrans-57.2-33.9-169.1-61.80000114K74 Y78 G79K74-C76 PolarHBondContact O-N 2.9Å; C76-Y78 PolarHBondContact O-N 2.85Å; C76-G79 PolarHBondContact O-N 2.9Å; C76-G79 VanDerWaalsContact O-N 3.1Å
77E86.9Confident94.9Very high147 Ų14768.5 Ų68.569%0.68733%0.33SS*.G310 helixtrans-56.5-34.3179-172.4180-179.200112.8W75W75-E77 PolarHBondContact O-N 2.65Å
78Y89.9Confident94.7Very high116 Ų11671.3 Ų71.346%0.45534%0.344SS..G310 helixtrans-10913179.6-61.7-85.8000112.6W75 C76 L80 Q101W75-Y78 AromaticContact CD1-CD2 3.75Å; W75-Y78 AromaticContact CD2-CD2 3.82Å; W75-Y78 HydrophobicContact CD2-CD2 3.82Å; W75-Y78 HydrophobicContact CD2-CE2 4.36Å; W75-Y78 AromaticContact CE2-CD2 3.4Å; W75-Y78 VanDerWaalsContact CE2-CD2 3.4Å; W75-Y78 AromaticContact CE2-CE2 3.5Å; W75-Y78 VanDerWaalsContact CE2-CE2 3.5Å; W75-Y78 HydrophobicContact CG-CD2 4.04Å; W75-Y78 HydrophobicContact CH2-CE2 4.4Å; W75-Y78 AromaticContact CZ2-CD2 3.84Å; W75-Y78 HydrophobicContact CZ2-CD2 3.84Å; W75-Y78 AromaticContact CZ2-CE2 3.53Å; W75-Y78 HydrophobicContact CZ2-CE2 3.53Å; W75-Y78 AromaticContact NE1-CD2 3.34Å; W75-Y78 VanDerWaalsContact NE1-CD2 3.34Å; W75-Y78 AromaticContact NE1-CE2 3.47Å; W75-Y78 PolarHBondContact O-N 3.19Å; W75-Y78 VanDerWaalsContact O-N 3.11Å; C76-Y78 PolarHBondContact O-N 2.85Å; Y78-L80 PolarHBondContact O-N 2.82Å; Y78-Q101 WeakPolarHBondContact O-CG 3.1Å
79G90.5Very high94.3Very high16 Ų1672.9 Ų72.917%0.16535%0.35CS..THydrogen-bonded Turntrans56.222-175.900000114.2W75 C76 I98 E99W75-G79 PolarHBondContact O-N 3.09Å; C76-G79 PolarHBondContact O-N 2.9Å; C76-G79 VanDerWaalsContact O-N 3.1Å; G79-I98 WeakPolarHBondContact O-CA 3.18Å; G79-E99 PolarHBondContact O-N 2.81Å
80L95Very high94Very high32 Ų3272.7 Ų72.717%0.16835%0.35CS..EExtended strand (participates in β ladder)trans-94135.3-174-87.3168.6000110.4W75 Y78 F82 I96 A97 I98W75-L80 HydrophobicContact CB-CB 4.11Å; W75-L80 PolarHBondContact N-O 2.92Å; W75-L80 PolarHBondContact O-N 2.81Å; Y78-L80 PolarHBondContact O-N 2.82Å; L80-F82 HydrophobicContact CB-CE2 4.03Å; L80-F82 HydrophobicContact CD1-CE2 4.38Å; L80-F82 HydrophobicContact CD1-CZ 4.35Å; L80-F82 HydrophobicContact CD2-CZ 4.32Å; L80-I96 HydrophobicContact CD2-CG2 4.21Å; L80-A97 CarbonylContact C-O 3.58Å; L80-A97 WeakPolarHBondContact CA-O 3.25Å; L80-I98 HydrophobicContact CD2-CD1 4.08Å; L80-I98 HydrophobicContact CD2-CG1 3.31Å; L80-I98 HydrophobicContact CG-CG1 4.18Å
81T96.8Very high93.8Very high27 Ų2772.1 Ų72.117%0.16635%0.349CS..EExtended strand (participates in β ladder)trans-127.3122.8170.6-57.50000109.5K72 Y73 K74 I96 A97K72-T81 HydrophobicContact CD-CG2 4Å; K72-T81 HydrophobicContact CG-CG2 3.76Å; Y73-T81 WeakPolarHBondContact O-CA 3.42Å; K74-T81 HydrophobicContact CG-CG2 4.02Å; T81-I96 WeakPolarHBondContact O-CA 3.25Å; T81-A97 PolarHBondContact N-O 2.94Å; T81-A97 PolarHBondContact O-N 2.78Å
82F97.3Very high93.7Very high74 Ų7473.4 Ų73.433%0.32535%0.354SS..EExtended strand (participates in β ladder)trans-103.1126.3172.9-62.5-88000108.4K72 Y73 W75 L80 E95 I96K72-F82 CarbonylContact C-O 3.59Å; K72-F82 WeakPolarHBondContact CA-O 3.47Å; Y73-F82 HydrophobicContact CD1-CD2 4.17Å; Y73-F82 PolarHBondContact N-O 3.07Å; Y73-F82 PolarHBondContact O-N 3.21Å; W75-F82 HydrophobicContact CE3-CE2 4.35Å; L80-F82 HydrophobicContact CB-CE2 4.03Å; L80-F82 HydrophobicContact CD1-CE2 4.38Å; L80-F82 HydrophobicContact CD1-CZ 4.35Å; L80-F82 HydrophobicContact CD2-CZ 4.32Å; F82-E95 CarbonylContact C-O 3.6Å; F82-I96 HydrophobicContact CD1-CD1 4.4Å; F82-I96 HydrophobicContact CD1-CG1 3.96Å; F82-I96 HydrophobicContact CD1-CG2 4.26Å; F82-I96 HydrophobicContact CE1-CD1 4.21Å; F82-I96 HydrophobicContact CE1-CG1 4.14Å; F82-I96 HydrophobicContact CE1-CG2 3.93Å
83T97.9Very high93.6Very high1 Ų171.7 Ų71.71%0.00635%0.35CS..EExtended strand (participates in β ladder)trans-128.4121.5176.6-50.50000109.8E70 T71 K72 K85 T94 E95E70-T83 HydrophobicContact CG-CG2 3.56Å; T71-T83 CarbonylContact O-C 3.48Å; T71-T83 VanDerWaalsContact O-CA 3.3Å; T71-T83 WeakPolarHBondContact O-CA 3.27Å; K72-T83 HydrophobicContact CB-CG2 4.38Å; T83-K85 VanDerWaalsContact CG2-CE 3.49Å; T83-K85 HydrophobicContact CG2-CG 4.17Å; T83-T94 CarbonylContact O-C 3.59Å; T83-T94 WeakPolarHBondContact O-CA 3.45Å; T83-E95 PolarHBondContact N-O 3.34Å; T83-E95 PolarHBondContact O-N 2.69Å
84E97.8Very high93.7Very high87 Ų8769.1 Ų69.141%0.40734%0.344SS..EExtended strand (participates in β ladder)trans-108.7130174.9-76.5-67.2160.900109E70 T71 G93 T94E70-E84 CarbonylContact C-O 3.57Å; E70-E84 VanDerWaalsContact CA-O 3.31Å; E70-E84 WeakPolarHBondContact CA-O 3.34Å; T71-E84 PolarHBondContact N-O 2.74Å; T71-E84 PolarHBondContact O-N 2.71Å; E84-G93 CarbonylContact C-O 3.57Å; E84-G93 WeakPolarHBondContact CA-O 3.38Å; E84-T94 WeakPolarHBondContact OE1-CB 3.35Å; E84-T94 WeakPolarHBondContact OE1-CG2 3.39Å; E84-T94 PolarHBondContact OE1-OG1 2.81Å; E84-T94 PolarHBondContact OE2-OG1 2.79Å; E84-T94 VanDerWaalsContact OE2-OG1 3.07Å
85K97.3Very high93.9Very high79 Ų7966.9 Ų66.934%0.34334%0.335SS..EExtended strand (participates in β ladder)trans-126.2129.2-177.6-61.1177.2-162.9163.20109L69 E70 T83 L92 G93 E95L69-K85 CarbonylContact O-C 3.45Å; L69-K85 WeakPolarHBondContact O-CA 3.31Å; E70-K85 HydrophobicContact CB-CG 4.15Å; E70-K85 HydrophobicContact CG-CG 3.95Å; E70-K85 WeakPolarHBondContact OE2-CE 3.28Å; T83-K85 VanDerWaalsContact CG2-CE 3.49Å; T83-K85 HydrophobicContact CG2-CG 4.17Å; K85-L92 CarbonylContact O-C 3.47Å; K85-L92 WeakPolarHBondContact O-CA 3.27Å; K85-G93 PolarHBondContact N-O 3.15Å; K85-G93 PolarHBondContact O-N 3.02Å; K85-E95 IonicContact NZ-OE2 3.81Å; K85-E95 PolarHBondContact NZ-OE2 3.26Å
86W96.7Very high94.2Very high131 Ų13164.2 Ų64.250%0.49633%0.329SS..EExtended strand (participates in β ladder)trans-130141.1172.1-172.232.4000110.1T68 L69 L92T68-W86 CarbonylContact C-O 3.54Å; T68-W86 WeakPolarHBondContact CA-O 3.1Å; L69-W86 PolarHBondContact N-O 2.8Å; L69-W86 PolarHBondContact O-N 2.77Å; W86-L92 HydrophobicContact CB-CD2 4.03Å; W86-L92 VanDerWaalsContact CD1-CD2 3.47Å; W86-L92 HydrophobicContact CD2-CD2 4.37Å; W86-L92 HydrophobicContact CG-CD2 3.72Å
87N94.5Very high94.7Very high48 Ų4859.4 Ų59.426%0.25730%0.297SS..EExtended strand (participates in β ladder)trans-129.6167.5179.268.523.3000112.4G67 T68 D89 N90 T91G67-N87 CarbonylContact O-C 3.55Å; G67-N87 VanDerWaalsContact O-CA 3.22Å; G67-N87 WeakPolarHBondContact O-CA 3.16Å; G67-N87 WeakPolarHBondContact O-CB 3.29Å; T68-N87 HydrophobicContact CG2-CB 4.12Å; N87-D89 PolarHBondContact O-N 2.84Å; N87-D89 PolarHBondContact OD1-N 2.77Å; N87-N90 WeakPolarHBondContact O-CA 3.46Å; N87-N90 PolarHBondContact O-N 2.85Å; N87-N90 PolarHBondContact OD1-N 3.42Å; N87-T91 PolarHBondContact N-O 2.83Å; N87-T91 WeakPolarHBondContact OD1-CB 3.27Å; N87-T91 PolarHBondContact OD1-N 2.79Å
88T93.6Very high95.2Very high77 Ų7755.3 Ų55.347%0.47228%0.279SS..THydrogen-bonded Turntrans-65.4-15.5-179.548.70000114.3T66 G67 N90T66-T88 WeakPolarHBondContact CA-OG1 3.25Å; G67-T88 VanDerWaalsContact N-CG2 3.32Å; G67-T88 PolarHBondContact N-OG1 2.79Å; G67-T88 PolarHBondContact O-N 2.85Å; T88-N90 PolarHBondContact O-N 3.32Å
89D89Confident95.4Very high93 Ų9353 Ų5350%0.49727%0.272SS..THydrogen-bonded Turntrans-80.89.1170.1-64.1-30.5000111.8N87 T91N87-D89 PolarHBondContact O-N 2.84Å; N87-D89 PolarHBondContact OD1-N 2.77Å; D89-T91 PolarHBondContact O-N 3.16Å
90N91.2Very high95.5Very high63 Ų6356 Ų5634%0.33729%0.285SS..  trans58.923.7-175.8-64.8-68.4000114.3N87 T88 P116N87-N90 WeakPolarHBondContact O-CA 3.46Å; N87-N90 PolarHBondContact O-N 2.85Å; N87-N90 PolarHBondContact OD1-N 3.42Å; T88-N90 PolarHBondContact O-N 3.32Å; N90-P116 WeakPolarHBondContact O-CD 3.45Å
91T93.4Very high95.1Very high34 Ų3459.5 Ų59.521%0.20930%0.3CS..  trans-85.1123.8174.3-58.90000109.8N87 D89 S115N87-T91 PolarHBondContact N-O 2.83Å; N87-T91 WeakPolarHBondContact OD1-CB 3.27Å; N87-T91 PolarHBondContact OD1-N 2.79Å; D89-T91 PolarHBondContact O-N 3.16Å; T91-S115 PolarHBondContact OG1-OG 3.05Å
92L96.1Very high94.7Very high67 Ų6763.9 Ų63.935%0.35132%0.321SS..EExtended strand (participates in β ladder)trans-95.4135.5174-64.2162.7000108.5K85 W86 T113 F114 P116K85-L92 CarbonylContact O-C 3.47Å; K85-L92 WeakPolarHBondContact O-CA 3.27Å; W86-L92 HydrophobicContact CB-CD2 4.03Å; W86-L92 VanDerWaalsContact CD1-CD2 3.47Å; W86-L92 HydrophobicContact CD2-CD2 4.37Å; W86-L92 HydrophobicContact CG-CD2 3.72Å; L92-T113 CarbonylContact O-C 3.56Å; L92-T113 VanDerWaalsContact O-CA 3.25Å; L92-T113 WeakPolarHBondContact O-CA 3.41Å; L92-F114 HydrophobicContact CD1-CD1 4.36Å; L92-F114 PolarHBondContact N-O 3.47Å; L92-F114 PolarHBondContact O-N 3.36Å; L92-P116 HydrophobicContact CD1-CG 4.27Å
93G96.1Very high94.3Very high12 Ų1262.8 Ų62.812%0.12432%0.322CS..EExtended strand (participates in β ladder)trans-133.8123.2178.400000111E84 K85 T112E84-G93 CarbonylContact C-O 3.57Å; E84-G93 WeakPolarHBondContact CA-O 3.38Å; K85-G93 PolarHBondContact N-O 3.15Å; K85-G93 PolarHBondContact O-N 3.02Å; G93-T112 CarbonylContact C-O 3.52Å; G93-T112 VanDerWaalsContact CA-O 3.25Å; G93-T112 WeakPolarHBondContact CA-O 3.44Å
94T97.4Very high94Very high42 Ų4269 Ų6926%0.25835%0.351SS..EExtended strand (participates in β ladder)trans-112.9126176.8-55.80000108.6T83 E84 I96 D111 T112T83-T94 CarbonylContact O-C 3.59Å; T83-T94 WeakPolarHBondContact O-CA 3.45Å; E84-T94 WeakPolarHBondContact OE1-CB 3.35Å; E84-T94 WeakPolarHBondContact OE1-CG2 3.39Å; E84-T94 PolarHBondContact OE1-OG1 2.81Å; E84-T94 PolarHBondContact OE2-OG1 2.79Å; E84-T94 VanDerWaalsContact OE2-OG1 3.07Å; T94-I96 HydrophobicContact CG2-CG1 4.31Å; T94-D111 CarbonylContact O-C 3.56Å; T94-D111 WeakPolarHBondContact O-CA 3.46Å; T94-T112 PolarHBondContact N-O 3.3Å; T94-T112 PolarHBondContact O-N 3.49Å; T94-T112 PolarHBondContact O-OG1 2.95Å
95E97.5Very high93.7Very high43 Ų4365.5 Ų65.520%0.20134%0.338CS..EExtended strand (participates in β ladder)trans-121.9122.4178.7163.3176.5161.600108.7F82 T83 K85 T109 F110 D111F82-E95 CarbonylContact C-O 3.6Å; T83-E95 PolarHBondContact N-O 3.34Å; T83-E95 PolarHBondContact O-N 2.69Å; K85-E95 IonicContact NZ-OE2 3.81Å; K85-E95 PolarHBondContact NZ-OE2 3.26Å; E95-T109 HydrophobicContact CG-CG2 3.73Å; E95-F110 WeakPolarHBondContact CA-O 3.5Å; E95-D111 WeakPolarHBondContact CB-OD1 3.46Å; E95-D111 WeakPolarHBondContact CG-OD1 3.36Å
96I97.3Very high93.6Very high57 Ų5763.5 Ų63.529%0.29233%0.331SS..EExtended strand (participates in β ladder)trans-116.5118.2175-54.5175.6000107.4L80 T81 F82 T94 T109 F110L80-I96 HydrophobicContact CD2-CG2 4.21Å; T81-I96 WeakPolarHBondContact O-CA 3.25Å; F82-I96 HydrophobicContact CD1-CD1 4.4Å; F82-I96 HydrophobicContact CD1-CG1 3.96Å; F82-I96 HydrophobicContact CD1-CG2 4.26Å; F82-I96 HydrophobicContact CE1-CD1 4.21Å; F82-I96 HydrophobicContact CE1-CG1 4.14Å; F82-I96 HydrophobicContact CE1-CG2 3.93Å; T94-I96 HydrophobicContact CG2-CG1 4.31Å; I96-T109 CarbonylContact O-C 3.49Å; I96-T109 WeakPolarHBondContact O-CA 3.31Å; I96-F110 PolarHBondContact N-O 3.23Å; I96-F110 PolarHBondContact O-N 2.68Å
97A97.3Very high93.7Very high2 Ų260 Ų602%0.01732%0.32CS..EExtended strand (participates in β ladder)trans-118.5136.4178.600000111.6L80 T81 L108 T109L80-A97 CarbonylContact C-O 3.58Å; L80-A97 WeakPolarHBondContact CA-O 3.25Å; T81-A97 PolarHBondContact N-O 2.94Å; T81-A97 PolarHBondContact O-N 2.78Å; A97-L108 CarbonylContact C-O 3.51Å; A97-L108 VanDerWaalsContact CA-O 3.29Å; A97-L108 WeakPolarHBondContact CA-O 3.45Å; A97-T109 HydrophobicContact CB-CG2 4.29Å
98I96.2Very high93.8Very high60 Ų6060.6 Ų60.631%0.30832%0.323SS..EExtended strand (participates in β ladder)trans-116.4124.7170.3-62.1163.4000107.2G79 L80 Q101 K107 L108G79-I98 WeakPolarHBondContact O-CA 3.18Å; L80-I98 HydrophobicContact CD2-CD1 4.08Å; L80-I98 HydrophobicContact CD2-CG1 3.31Å; L80-I98 HydrophobicContact CG-CG1 4.18Å; I98-Q101 HydrophobicContact CG2-CB 3.84Å; I98-Q101 HydrophobicContact CG2-CG 3.89Å; I98-K107 CarbonylContact O-C 3.49Å; I98-K107 WeakPolarHBondContact O-CA 3.5Å; I98-L108 PolarHBondContact N-O 3.18Å; I98-L108 PolarHBondContact O-N 2.8Å
99E95Very high94Very high67 Ų6757.5 Ų57.531%0.31330%0.304SS..EExtended strand (participates in β ladder)trans-126.2136.1-178-168.6159.8-167.400110.6G79 Q101 K107G79-E99 PolarHBondContact O-N 2.81Å; E99-Q101 PolarHBondContact O-N 2.9Å; E99-K107 HydrophobicContact CB-CB 4.46Å; E99-K107 HydrophobicContact CB-CG 4.22Å; E99-K107 HydrophobicContact CG-CB 4.13Å; E99-K107 HydrophobicContact CG-CD 4.49Å; E99-K107 HydrophobicContact CG-CG 4.25Å; E99-K107 IonicContact OE2-NZ 3.6Å; E99-K107 PolarHBondContact OE2-NZ 2.82Å
100D91.5Very high94.4Very high81 Ų8157.9 Ų57.943%0.43330%0.301SS..SBendtrans60.47.4173.7-63.5-31.9000117.1G105 L106D100-G105 WeakPolarHBondContact OD1-CA 3.47Å; D100-G105 PolarHBondContact OD1-N 3.13Å; D100-L106 PolarHBondContact N-O 2.81Å
101Q88.2Confident94.6Very high104 Ų10455.6 Ų55.649%0.48629%0.289SS..SBendtrans-84.4-43.6180-63.5-54.8-53.400114Y78 I98 E99Y78-Q101 WeakPolarHBondContact O-CG 3.1Å; I98-Q101 HydrophobicContact CG2-CB 3.84Å; I98-Q101 HydrophobicContact CG2-CG 3.89Å; E99-Q101 PolarHBondContact O-N 2.9Å
102I87.7Confident94.6Very high120 Ų12056.1 Ų56.162%0.61529%0.292SS*.SBendtrans-81.4-41.5-177.5-61.7167.9000110L106 L108I102-L106 HydrophobicContact CB-CD2 4.2Å; I102-L106 HydrophobicContact CG2-CD2 4.2Å; I102-L108 HydrophobicContact CD1-CD1 3.57Å
103C89.3Confident94.5Very high51 Ų5155.8 Ų55.835%0.34529%0.293SS..SBendtrans-154.9138.5176.1-178.30000108.2G105 L106C103-G105 PolarHBondContact O-N 2.95Å; C103-L106 HydrophobicContact CB-CB 4.07Å; C103-L106 HydrophobicContact CB-CD2 4.36Å; C103-L106 VanDerWaalsContact O-CB 3.25Å; C103-L106 WeakPolarHBondContact O-CB 3.46Å; C103-L106 PolarHBondContact O-N 2.88Å
104Q90.9Very high94.4Very high130 Ų13058.9 Ų58.961%0.60730%0.303SS*.THydrogen-bonded Turntrans-60.8132.2175.5179.4-168.828.900110.5L106 Y129 R131Q104-L106 VanDerWaalsContact C-N 3.31Å; Q104-Y129 WeakPolarHBondContact O-CE2 3.37Å; Q104-R131 VanDerWaalsContact O-CZ 3.24Å; Q104-R131 PolarHBondContact O-NE 3.19Å; Q104-R131 PolarHBondContact O-NH2 2.93Å
105G91.6Very high94.1Very high14 Ų1458 Ų5814%0.14430%0.298CS..THydrogen-bonded Turntrans87.4-10.4-17400000114.2D100 C103 Y129 K130D100-G105 WeakPolarHBondContact OD1-CA 3.47Å; D100-G105 PolarHBondContact OD1-N 3.13Å; C103-G105 PolarHBondContact O-N 2.95Å; G105-Y129 CarbonylContact O-C 3.59Å; G105-Y129 WeakPolarHBondContact O-CA 3.49Å; G105-K130 VanDerWaalsContact CA-O 3.31Å; G105-K130 WeakPolarHBondContact CA-O 2.9Å; G105-K130 PolarHBondContact O-N 2.78Å
106L96Very high93.7Very high37 Ų3758.9 Ų58.919%0.19431%0.308CS..EExtended strand (participates in β ladder)trans-89.1127.8179.5-176.266.2000110.6D100 I102 C103 Q104 L108 S128 Y129D100-L106 PolarHBondContact N-O 2.81Å; I102-L106 HydrophobicContact CB-CD2 4.2Å; I102-L106 HydrophobicContact CG2-CD2 4.2Å; C103-L106 HydrophobicContact CB-CB 4.07Å; C103-L106 HydrophobicContact CB-CD2 4.36Å; C103-L106 VanDerWaalsContact O-CB 3.25Å; C103-L106 WeakPolarHBondContact O-CB 3.46Å; C103-L106 PolarHBondContact O-N 2.88Å; Q104-L106 VanDerWaalsContact C-N 3.31Å; L106-L108 HydrophobicContact CD1-CD2 4.17Å; L106-L108 HydrophobicContact CD2-CD2 4.5Å; L106-L108 HydrophobicContact CD2-CG 4.37Å; L106-L108 HydrophobicContact CG-CD2 4.37Å; L106-L108 HydrophobicContact CG-CG 4.32Å; L106-S128 CarbonylContact C-O 3.55Å; L106-S128 WeakPolarHBondContact CA-O 3.06Å; L106-Y129 HydrophobicContact CB-CD2 4.11Å; L106-Y129 HydrophobicContact CD1-CD2 4.46Å
107K97.2Very high93.3Very high59 Ų5961.9 Ų61.926%0.25733%0.325SS..EExtended strand (participates in β ladder)trans-121.1123.2169.9-175.1178.9-171.1128.60109.4I98 E99 S127 S128I98-K107 CarbonylContact O-C 3.49Å; I98-K107 WeakPolarHBondContact O-CA 3.5Å; E99-K107 HydrophobicContact CB-CB 4.46Å; E99-K107 HydrophobicContact CB-CG 4.22Å; E99-K107 HydrophobicContact CG-CB 4.13Å; E99-K107 HydrophobicContact CG-CD 4.49Å; E99-K107 HydrophobicContact CG-CG 4.25Å; E99-K107 IonicContact OE2-NZ 3.6Å; E99-K107 PolarHBondContact OE2-NZ 2.82Å; K107-S127 CarbonylContact O-C 3.52Å; K107-S127 WeakPolarHBondContact O-CA 3.31Å; K107-S128 PolarHBondContact N-O 2.8Å; K107-S128 PolarHBondContact O-N 2.86Å
108L97.4Very high92.9Very high60 Ų6066.9 Ų66.931%0.31436%0.355SS..EExtended strand (participates in β ladder)trans-109.7131171.4-61.9-179000108.6A97 I98 I102 L106 K126A97-L108 CarbonylContact C-O 3.51Å; A97-L108 VanDerWaalsContact CA-O 3.29Å; A97-L108 WeakPolarHBondContact CA-O 3.45Å; I98-L108 PolarHBondContact N-O 3.18Å; I98-L108 PolarHBondContact O-N 2.8Å; I102-L108 HydrophobicContact CD1-CD1 3.57Å; L106-L108 HydrophobicContact CD1-CD2 4.17Å; L106-L108 HydrophobicContact CD2-CD2 4.5Å; L106-L108 HydrophobicContact CD2-CG 4.37Å; L106-L108 HydrophobicContact CG-CD2 4.37Å; L106-L108 HydrophobicContact CG-CG 4.32Å; L108-K126 CarbonylContact C-O 3.6Å; L108-K126 WeakPolarHBondContact CA-O 3.2Å
109T97.4Very high92.4Very high12 Ų1266 Ų667%0.07436%0.361CS..EExtended strand (participates in β ladder)trans-128.7131.6178.6-58.50000109.9E95 I96 A97 D111 I125 K126E95-T109 HydrophobicContact CG-CG2 3.73Å; I96-T109 CarbonylContact O-C 3.49Å; I96-T109 WeakPolarHBondContact O-CA 3.31Å; A97-T109 HydrophobicContact CB-CG2 4.29Å; T109-D111 VanDerWaalsContact CG2-OD1 3.28Å; T109-D111 WeakPolarHBondContact CG2-OD1 3.3Å; T109-I125 CarbonylContact O-C 3.58Å; T109-I125 WeakPolarHBondContact O-CA 3.2Å; T109-K126 PolarHBondContact N-O 2.71Å; T109-K126 PolarHBondContact O-N 2.83Å
110F96.8Very high92.1Very high100 Ų10068.3 Ų68.344%0.43937%0.37SS..EExtended strand (participates in β ladder)trans-110.2111.3170.8-177.6-112.1000108.7E95 I96 T112 I125E95-F110 WeakPolarHBondContact CA-O 3.5Å; I96-F110 PolarHBondContact N-O 3.23Å; I96-F110 PolarHBondContact O-N 2.68Å; F110-T112 HydrophobicContact CD1-CG2 4.03Å; F110-T112 HydrophobicContact CE1-CG2 3.29Å; F110-T112 HydrophobicContact CE2-CG2 4.29Å; F110-T112 HydrophobicContact CZ-CG2 3.44Å; F110-T112 VanDerWaalsContact CZ-CG2 3.44Å; F110-I125 HydrophobicContact CD2-CG1 3.89Å; F110-I125 HydrophobicContact CE2-CG1 4.31Å
111D95.5Very high92Very high16 Ų1670.4 Ų70.49%0.08638%0.375CS..EExtended strand (participates in β ladder)trans-106.3134.1177.7-62-40.7000109.8T94 E95 T109 G123 K124 K126T94-D111 CarbonylContact O-C 3.56Å; T94-D111 WeakPolarHBondContact O-CA 3.46Å; E95-D111 WeakPolarHBondContact CB-OD1 3.46Å; E95-D111 WeakPolarHBondContact CG-OD1 3.36Å; T109-D111 VanDerWaalsContact CG2-OD1 3.28Å; T109-D111 WeakPolarHBondContact CG2-OD1 3.3Å; D111-G123 CarbonylContact O-C 3.55Å; D111-G123 VanDerWaalsContact O-CA 3.31Å; D111-G123 WeakPolarHBondContact O-CA 3.36Å; D111-K124 HydrophobicContact CB-CB 4.19Å; D111-K124 PolarHBondContact N-O 2.84Å; D111-K124 PolarHBondContact O-N 3.3Å; D111-K126 WeakPolarHBondContact OD2-CD 3.43Å; D111-K126 WeakPolarHBondContact OD2-CE 3.34Å; D111-K126 IonicContact OD2-NZ 3.94Å; D111-K126 PolarHBondContact OD2-NZ 2.77Å
112T94.8Very high92.1Very high45 Ų4567 Ų6728%0.27636%0.363SS..EExtended strand (participates in β ladder)trans-129.4145171.159.20000109.6G93 T94 F110 S122G93-T112 CarbonylContact C-O 3.52Å; G93-T112 VanDerWaalsContact CA-O 3.25Å; G93-T112 WeakPolarHBondContact CA-O 3.44Å; T94-T112 PolarHBondContact N-O 3.3Å; T94-T112 PolarHBondContact O-N 3.49Å; T94-T112 PolarHBondContact O-OG1 2.95Å; F110-T112 HydrophobicContact CD1-CG2 4.03Å; F110-T112 HydrophobicContact CE1-CG2 3.29Å; F110-T112 HydrophobicContact CE2-CG2 4.29Å; F110-T112 HydrophobicContact CZ-CG2 3.44Å; F110-T112 VanDerWaalsContact CZ-CG2 3.44Å; T112-S122 WeakPolarHBondContact CA-O 3.38Å
113T93.3Very high92.3Very high59 Ų5962 Ų6236%0.36234%0.34SS..EExtended strand (participates in β ladder)trans-130.9144.1170.462.70000110.8L92 K121 S122L92-T113 CarbonylContact O-C 3.56Å; L92-T113 VanDerWaalsContact O-CA 3.25Å; L92-T113 WeakPolarHBondContact O-CA 3.41Å; T113-K121 WeakPolarHBondContact O-CA 2.9Å; T113-S122 PolarHBondContact N-O 3.27Å; T113-S122 PolarHBondContact O-N 2.87Å; T113-S122 PolarHBondContact OG1-OG 2.9Å
114F93.1Very high92.6Very high78 Ų7862.9 Ų62.934%0.34234%0.338SS..EExtended strand (participates in β ladder)trans-137.4125.5178.7176.5-125.3000109.9L92 P116 K121L92-F114 HydrophobicContact CD1-CD1 4.36Å; L92-F114 PolarHBondContact N-O 3.47Å; L92-F114 PolarHBondContact O-N 3.36Å; F114-P116 HydrophobicContact CD1-CG 4.03Å; F114-P116 HydrophobicContact CE1-CB 4.07Å; F114-P116 HydrophobicContact CE1-CG 3.75Å; F114-P116 HydrophobicContact CZ-CB 4.32Å; F114-P116 HydrophobicContact CZ-CG 4.42Å; F114-K121 HydrophobicContact CD2-CD 4.3Å; F114-K121 HydrophobicContact CD2-CG 3.56Å; F114-K121 HydrophobicContact CE2-CG 4.17Å; F114-K121 HydrophobicContact CG-CG 4.5Å
115S92.3Very high92.9Very high23 Ų2360.2 Ų60.216%0.16133%0.328CS..EExtended strand (participates in β ladder)trans-107.7102173.1-59.20000108.8T91 N117 T118 G119 K120T91-S115 PolarHBondContact OG1-OG 3.05Å; S115-N117 PolarHBondContact O-N 2.86Å; S115-T118 WeakPolarHBondContact CB-OG1 3.28Å; S115-T118 PolarHBondContact O-N 3.28Å; S115-T118 PolarHBondContact O-OG1 3.5Å; S115-G119 WeakPolarHBondContact O-CA 3.47Å; S115-G119 PolarHBondContact O-N 3.32Å; S115-K120 PolarHBondContact N-O 3Å
116P89.9Confident93.1Very high61 Ų6162.9 Ų62.940%0.39634%0.335SS..THydrogen-bonded Turntrans-57.3-36.7-176.7-23.834.6000113.2N90 L92 F114 T118 G119N90-P116 WeakPolarHBondContact O-CD 3.45Å; L92-P116 HydrophobicContact CD1-CG 4.27Å; F114-P116 HydrophobicContact CD1-CG 4.03Å; F114-P116 HydrophobicContact CE1-CB 4.07Å; F114-P116 HydrophobicContact CE1-CG 3.75Å; F114-P116 HydrophobicContact CZ-CB 4.32Å; F114-P116 HydrophobicContact CZ-CG 4.42Å; P116-T118 VanDerWaalsContact C-N 3.29Å; P116-T118 PolarHBondContact O-N 3.49Å; P116-G119 PolarHBondContact O-N 3.22Å
117N88.7Confident93.2Very high121 Ų12162.8 Ų62.865%0.64734%0.338SS*.THydrogen-bonded Turntrans-64.7-30.1-177.3-66.8-22.5000113.7S115S115-N117 PolarHBondContact O-N 2.86Å
118T87.8Confident93.2Very high106 Ų10661.3 Ų61.365%0.6534%0.335SS*.THydrogen-bonded Turntrans-111.8-10.3-178.760.50000112.6S115 P116 K120S115-T118 WeakPolarHBondContact CB-OG1 3.28Å; S115-T118 PolarHBondContact O-N 3.28Å; S115-T118 PolarHBondContact O-OG1 3.5Å; P116-T118 VanDerWaalsContact C-N 3.29Å; P116-T118 PolarHBondContact O-N 3.49Å; T118-K120 PolarHBondContact O-N 2.88Å; T118-K120 WeakPolarHBondContact OG1-CB 3.36Å; T118-K120 PolarHBondContact OG1-N 3.22Å
119G86.3Confident93.2Very high42 Ų4261.8 Ų61.843%0.43333%0.333SS..THydrogen-bonded Turntrans67.91.6-169.200000114.1S115 P116 K121S115-G119 WeakPolarHBondContact O-CA 3.47Å; S115-G119 PolarHBondContact O-N 3.32Å; P116-G119 PolarHBondContact O-N 3.22Å; G119-K121 PolarHBondContact O-N 2.67Å
120K87.7Confident93.1Very high115 Ų11565 Ų6550%0.535%0.346SS..EExtended strand (participates in β ladder)trans-64.1129.9-177.5-173174.8-179.5175.60109.9S115 T118S115-K120 PolarHBondContact N-O 3Å; T118-K120 PolarHBondContact O-N 2.88Å; T118-K120 WeakPolarHBondContact OG1-CB 3.36Å; T118-K120 PolarHBondContact OG1-N 3.22Å
121K89.9Confident92.9Very high126 Ų12664.2 Ų64.255%0.54834%0.34SS..EExtended strand (participates in β ladder)trans-121.1142.2174.1-67.5174.9-175.9-177.80108.8T113 F114 G119T113-K121 WeakPolarHBondContact O-CA 2.9Å; F114-K121 HydrophobicContact CD2-CD 4.3Å; F114-K121 HydrophobicContact CD2-CG 3.56Å; F114-K121 HydrophobicContact CE2-CG 4.17Å; F114-K121 HydrophobicContact CG-CG 4.5Å; G119-K121 PolarHBondContact O-N 2.67Å
122S90.3Very high92.7Very high32 Ų3269.1 Ų69.122%0.22436%0.362CS..EExtended strand (participates in β ladder)trans-141.8151.9166.567.30000110.2T112 T113T112-S122 WeakPolarHBondContact CA-O 3.38Å; T113-S122 PolarHBondContact N-O 3.27Å; T113-S122 PolarHBondContact O-N 2.87Å; T113-S122 PolarHBondContact OG1-OG 2.9Å
123G92.8Very high92.6Very high14 Ų1468.4 Ų68.414%0.14436%0.359CS..EExtended strand (participates in β ladder)trans-128.7147.2176.200000109.9D111 F142D111-G123 CarbonylContact O-C 3.55Å; D111-G123 VanDerWaalsContact O-CA 3.31Å; D111-G123 WeakPolarHBondContact O-CA 3.36Å; G123-F142 PolarHBondContact N-O 2.85Å; G123-F142 WeakPolarHBondContact O-CA 3.31Å; G123-F142 WeakPolarHBondContact O-CB 3.45Å; G123-F142 PolarHBondContact O-N 2.82Å
124K95.1Very high92.8Very high70 Ų7067.5 Ų67.530%0.30435%0.352SS..EExtended strand (participates in β ladder)trans-136.7133.5173.5-50.7178167.5-120.50109D111 V140 D141D111-K124 HydrophobicContact CB-CB 4.19Å; D111-K124 PolarHBondContact N-O 2.84Å; D111-K124 PolarHBondContact O-N 3.3Å; K124-V140 VanDerWaalsContact CA-O 3.32Å; K124-V140 WeakPolarHBondContact CA-O 3.35Å; K124-D141 WeakPolarHBondContact CD-OD1 3.2Å; K124-D141 VanDerWaalsContact CE-OD1 3.29Å; K124-D141 WeakPolarHBondContact CE-OD1 3.38Å; K124-D141 WeakPolarHBondContact CG-OD1 3.38Å; K124-D141 IonicContact NZ-OD1 2.73Å; K124-D141 PolarHBondContact NZ-OD1 3.49Å; K124-D141 IonicContact NZ-OD2 2.67Å; K124-D141 PolarHBondContact NZ-OD2 3.48Å
125I96.4Very high93Very high75 Ų7564.1 Ų64.139%0.38534%0.337SS..EExtended strand (participates in β ladder)trans-107.2123.2169.4-64170.6000106.8T109 F110 D139 V140 F142T109-I125 CarbonylContact O-C 3.58Å; T109-I125 WeakPolarHBondContact O-CA 3.2Å; F110-I125 HydrophobicContact CD2-CG1 3.89Å; F110-I125 HydrophobicContact CE2-CG1 4.31Å; I125-D139 CarbonylContact O-C 3.52Å; I125-D139 VanDerWaalsContact O-CA 3.29Å; I125-D139 WeakPolarHBondContact O-CA 3.26Å; I125-V140 PolarHBondContact N-O 3.3Å; I125-V140 PolarHBondContact O-N 3.2Å; I125-F142 HydrophobicContact CB-CE2 4.34Å; I125-F142 HydrophobicContact CD1-CE2 3.61Å; I125-F142 HydrophobicContact CD1-CZ 4.01Å; I125-F142 HydrophobicContact CG1-CE2 3.83Å
126K96.9Very high93.2Very high69 Ų6966 Ų6630%0.335%0.345SS..EExtended strand (participates in β ladder)trans-115.1138.2177-55.1176.6174.7154.30109.7L108 T109 D111 D139L108-K126 CarbonylContact C-O 3.6Å; L108-K126 WeakPolarHBondContact CA-O 3.2Å; T109-K126 PolarHBondContact N-O 2.71Å; T109-K126 PolarHBondContact O-N 2.83Å; D111-K126 WeakPolarHBondContact OD2-CD 3.43Å; D111-K126 WeakPolarHBondContact OD2-CE 3.34Å; D111-K126 IonicContact OD2-NZ 3.94Å; D111-K126 PolarHBondContact OD2-NZ 2.77Å; K126-D139 WeakPolarHBondContact CA-OD1 3.27Å; K126-D139 VanDerWaalsContact CB-OD1 3.25Å; K126-D139 WeakPolarHBondContact CB-OD1 3.3Å; K126-D139 HydrophobicContact CG-CB 4.14Å
127S97.1Very high93.6Very high36 Ų3663.8 Ų63.825%0.25233%0.333SS..EExtended strand (participates in β ladder)trans-129.7127173.662.80000109K107 G137 C138K107-S127 CarbonylContact O-C 3.52Å; K107-S127 WeakPolarHBondContact O-CA 3.31Å; S127-G137 CarbonylContact O-C 3.56Å; S127-G137 VanDerWaalsContact O-CA 3.26Å; S127-G137 WeakPolarHBondContact O-CA 3.32Å; S127-C138 PolarHBondContact N-O 3.08Å; S127-C138 PolarHBondContact O-N 2.69Å; S127-C138 WeakPolarHBondContact OG-CB 3.35Å; S127-C138 PolarHBondContact OG-O 3.16Å
128S97.2Very high94Very high28 Ų2860.5 Ų60.520%0.19632%0.319CS..EExtended strand (participates in β ladder)trans-126.9130.8177.81720000108.3L106 K107 L136L106-S128 CarbonylContact C-O 3.55Å; L106-S128 WeakPolarHBondContact CA-O 3.06Å; K107-S128 PolarHBondContact N-O 2.8Å; K107-S128 PolarHBondContact O-N 2.86Å; S128-L136 CarbonylContact C-O 3.59Å; S128-L136 VanDerWaalsContact CA-O 3.3Å; S128-L136 WeakPolarHBondContact CA-O 3.36Å
129Y97Very high94.4Very high70 Ų7057.9 Ų57.928%0.27530%0.301SS..EExtended strand (participates in β ladder)trans-125.7121.4176.3-179.3-111.6000110.7Q104 G105 L106 R131 N135 L136Q104-Y129 WeakPolarHBondContact O-CE2 3.37Å; G105-Y129 CarbonylContact O-C 3.59Å; G105-Y129 WeakPolarHBondContact O-CA 3.49Å; L106-Y129 HydrophobicContact CB-CD2 4.11Å; L106-Y129 HydrophobicContact CD1-CD2 4.46Å; Y129-R131 HydrophobicContact CE1-CB 4.43Å; Y129-R131 HydrophobicContact CE1-CG 3.61Å; Y129-R131 HydrophobicContact CE2-CG 4.1Å; Y129-R131 WeakPolarHBondContact OH-CG 3.44Å; Y129-R131 PolarHBondContact OH-NE 3Å; Y129-N135 CarbonylContact O-C 3.5Å; Y129-N135 WeakPolarHBondContact O-CA 3.34Å; Y129-L136 HydrophobicContact CD1-CD1 4.36Å; Y129-L136 PolarHBondContact N-O 2.89Å; Y129-L136 PolarHBondContact O-N 2.78Å
130K95.6Very high94.8Very high79 Ų7957.6 Ų57.634%0.34329%0.291SS..EExtended strand (participates in β ladder)trans-120.8125.7-174.4-67.3178.2-173.2171.30110.8I14 G105I14-K130 HydrophobicContact CG2-CB 3.78Å; I14-K130 HydrophobicContact CG2-CD 4.34Å; I14-K130 HydrophobicContact CG2-CG 4.21Å; G105-K130 VanDerWaalsContact CA-O 3.31Å; G105-K130 WeakPolarHBondContact CA-O 2.9Å; G105-K130 PolarHBondContact O-N 2.78Å
131R93.1Very high95Very high83 Ų8353.8 Ų53.831%0.31328%0.276SS..EExtended strand (participates in β ladder)trans-140.5174171.5-75.5-64.5-172.7169.4-2.6110Q104 Y129 C133 I134Q104-R131 VanDerWaalsContact O-CZ 3.24Å; Q104-R131 PolarHBondContact O-NE 3.19Å; Q104-R131 PolarHBondContact O-NH2 2.93Å; Y129-R131 HydrophobicContact CE1-CB 4.43Å; Y129-R131 HydrophobicContact CE1-CG 3.61Å; Y129-R131 HydrophobicContact CE2-CG 4.1Å; Y129-R131 WeakPolarHBondContact OH-CG 3.44Å; Y129-R131 PolarHBondContact OH-NE 3Å; R131-C133 PolarHBondContact O-N 2.89Å; R131-I134 HydrophobicContact CB-CG2 3.82Å; R131-I134 PolarHBondContact N-O 3Å; R131-I134 PolarHBondContact O-N 2.82Å
132E92.4Very high94.8Very high119 Ų11952.4 Ų52.456%0.55627%0.27SS*.THydrogen-bonded Turntrans-50.9131167.8-62.1-175.2171.800109.2M12 I134M12-E132 HydrophobicContact CB-CB 4.05Å; M12-E132 HydrophobicContact CB-CG 4.41Å; M12-E132 WeakPolarHBondContact CE-OE2 3.14Å; E132-I134 PolarHBondContact O-N 2.86Å
133C92.6Very high94Very high31 Ų3154.7 Ų54.721%0.20928%0.28CS..THydrogen-bonded Turntrans66.4-5.6179.4-53.50000117.1M12 C13 R131 F155 G156M12-C133 VanDerWaalsContact SD-SG 3.64Å; C13-C133 PolarHBondContact O-N 3.28Å; R131-C133 PolarHBondContact O-N 2.89Å; C133-F155 CarbonylContact O-C 3.57Å; C133-F155 VanDerWaalsContact O-CA 3.28Å; C133-F155 WeakPolarHBondContact O-CA 3.02Å; C133-G156 VanDerWaalsContact CA-O 3.27Å; C133-G156 WeakPolarHBondContact CA-O 3.36Å; C133-G156 WeakPolarHBondContact CB-O 3.47Å; C133-G156 PolarHBondContact O-N 2.8Å; C133-G156 PolarHBondContact SG-O 2.89Å; C133-G156 VanDerWaalsContact SG-O 3.41Å
134I95.8Very high93Very high40 Ų4062.5 Ų62.521%0.20531%0.31CS..EExtended strand (participates in β ladder)trans-143138.8-177.3-163.6175.7000114R131 E132 L136 V154 F155R131-I134 HydrophobicContact CB-CG2 3.82Å; R131-I134 PolarHBondContact N-O 3Å; R131-I134 PolarHBondContact O-N 2.82Å; E132-I134 PolarHBondContact O-N 2.86Å; I134-L136 HydrophobicContact CD1-CD1 4Å; I134-L136 HydrophobicContact CD1-CD2 3.77Å; I134-L136 HydrophobicContact CD1-CG 3.87Å; I134-L136 HydrophobicContact CG1-CD2 3.89Å; I134-L136 HydrophobicContact CG1-CG 3.96Å; I134-V154 CarbonylContact C-O 3.59Å; I134-V154 WeakPolarHBondContact CA-O 3.42Å; I134-F155 HydrophobicContact CB-CD1 4.48Å; I134-F155 HydrophobicContact CD1-CD1 4.16Å; I134-F155 HydrophobicContact CD1-CE1 3.49Å; I134-F155 VanDerWaalsContact CD1-CE1 3.49Å; I134-F155 HydrophobicContact CD1-CZ 4.09Å; I134-F155 HydrophobicContact CG1-CD1 4.04Å; I134-F155 HydrophobicContact CG1-CE1 3.84Å; I134-F155 HydrophobicContact CG1-CZ 4.49Å
135N97.7Very high92Very high6 Ų662.9 Ų62.93%0.03233%0.326CS..EExtended strand (participates in β ladder)trans-136.6112172.4-173.2-25.8000109.2P15 P16 S17 Y129 A153 V154P15-N135 HydrophobicContact CG-CB 3.89Å; P15-N135 WeakPolarHBondContact O-CB 3.22Å; P15-N135 PolarHBondContact O-ND2 2.87Å; P16-N135 PolarHBondContact O-ND2 3.19Å; S17-N135 PolarHBondContact N-ND2 2.92Å; S17-N135 VanDerWaalsContact N-ND2 3.19Å; Y129-N135 CarbonylContact O-C 3.5Å; Y129-N135 WeakPolarHBondContact O-CA 3.34Å; N135-A153 CarbonylContact O-C 3.54Å; N135-A153 WeakPolarHBondContact O-CA 3.36Å; N135-V154 HydrophobicContact CB-CB 4.43Å; N135-V154 PolarHBondContact N-O 2.78Å; N135-V154 PolarHBondContact O-N 2.84Å
136L97.8Very high91.2Very high64 Ų6460.4 Ų60.434%0.33532%0.319SS..EExtended strand (participates in β ladder)trans-107.7143.3-178.9-58179.1000109.8S128 Y129 I134 S152 A153S128-L136 CarbonylContact C-O 3.59Å; S128-L136 VanDerWaalsContact CA-O 3.3Å; S128-L136 WeakPolarHBondContact CA-O 3.36Å; Y129-L136 HydrophobicContact CD1-CD1 4.36Å; Y129-L136 PolarHBondContact N-O 2.89Å; Y129-L136 PolarHBondContact O-N 2.78Å; I134-L136 HydrophobicContact CD1-CD1 4Å; I134-L136 HydrophobicContact CD1-CD2 3.77Å; I134-L136 HydrophobicContact CD1-CG 3.87Å; I134-L136 HydrophobicContact CG1-CD2 3.89Å; I134-L136 HydrophobicContact CG1-CG 3.96Å; L136-S152 CarbonylContact C-O 3.53Å; L136-S152 WeakPolarHBondContact CA-O 3.42Å; L136-A153 HydrophobicContact CD2-CB 3.55Å
137G97.4Very high90.9Very high13 Ų1359.3 Ų59.313%0.13432%0.319CS..EExtended strand (participates in β ladder)trans-136.7136.1172.200000110.8S127 G151 S152S127-G137 CarbonylContact O-C 3.56Å; S127-G137 VanDerWaalsContact O-CA 3.26Å; S127-G137 WeakPolarHBondContact O-CA 3.32Å; G137-G151 CarbonylContact O-C 3.57Å; G137-S152 PolarHBondContact N-O 2.79Å; G137-S152 PolarHBondContact O-N 2.98Å
138C97.4Very high90.7Very high53 Ų5358.7 Ų58.736%0.35832%0.316SS..EExtended strand (participates in β ladder)trans-138.1115.8170.3-1770000109.1S127 H150S127-C138 PolarHBondContact N-O 3.08Å; S127-C138 PolarHBondContact O-N 2.69Å; S127-C138 WeakPolarHBondContact OG-CB 3.35Å; S127-C138 PolarHBondContact OG-O 3.16Å; C138-H150 CarbonylContact C-O 3.55Å; C138-H150 VanDerWaalsContact CA-O 3.28Å; C138-H150 WeakPolarHBondContact CA-O 3.39Å
139D95.7Very high90.6Very high51 Ų5160.6 Ų60.627%0.27332%0.323SS..EExtended strand (participates in β ladder)trans-116.8135.6180-55.8-15.3000109.6I125 K126 I149 H150I125-D139 CarbonylContact O-C 3.52Å; I125-D139 VanDerWaalsContact O-CA 3.29Å; I125-D139 WeakPolarHBondContact O-CA 3.26Å; K126-D139 WeakPolarHBondContact CA-OD1 3.27Å; K126-D139 VanDerWaalsContact CB-OD1 3.25Å; K126-D139 WeakPolarHBondContact CB-OD1 3.3Å; K126-D139 HydrophobicContact CG-CB 4.14Å; D139-I149 CarbonylContact O-C 3.57Å; D139-I149 WeakPolarHBondContact O-CA 3.36Å; D139-H150 HydrophobicContact CB-CB 4.19Å; D139-H150 PolarHBondContact N-O 3.18Å; D139-H150 PolarHBondContact O-N 3.19Å
140V95.5Very high90.6Very high36 Ų3659.3 Ų59.322%0.21832%0.32CS..EExtended strand (participates in β ladder)trans-116.5109174.8-1750000108.1K124 I125 F142 P147 A148 I149K124-V140 VanDerWaalsContact CA-O 3.32Å; K124-V140 WeakPolarHBondContact CA-O 3.35Å; I125-V140 PolarHBondContact N-O 3.3Å; I125-V140 PolarHBondContact O-N 3.2Å; V140-F142 HydrophobicContact CB-CE2 4.11Å; V140-F142 HydrophobicContact CB-CZ 4.3Å; V140-F142 HydrophobicContact CG1-CD2 4.32Å; V140-F142 HydrophobicContact CG1-CE1 4.03Å; V140-F142 HydrophobicContact CG1-CE2 3.74Å; V140-F142 HydrophobicContact CG1-CZ 3.59Å; V140-P147 HydrophobicContact CG1-CB 4.25Å; V140-A148 WeakPolarHBondContact CA-O 3.23Å; V140-I149 HydrophobicContact CG2-CG1 4.47Å
141D90.6Very high90.7Very high35 Ų3556.1 Ų56.119%0.18731%0.31CS..EExtended strand (participates in β ladder)trans-87.3115.7174.9-80.3-5.1000109.1K124 D143 P147 A148 H150K124-D141 WeakPolarHBondContact CD-OD1 3.2Å; K124-D141 VanDerWaalsContact CE-OD1 3.29Å; K124-D141 WeakPolarHBondContact CE-OD1 3.38Å; K124-D141 WeakPolarHBondContact CG-OD1 3.38Å; K124-D141 IonicContact NZ-OD1 2.73Å; K124-D141 PolarHBondContact NZ-OD1 3.49Å; K124-D141 IonicContact NZ-OD2 2.67Å; K124-D141 PolarHBondContact NZ-OD2 3.48Å; D141-D143 PolarHBondContact O-N 2.8Å; D141-P147 CarbonylContact O-C 3.54Å; D141-P147 WeakPolarHBondContact O-CA 3.18Å; D141-A148 HydrophobicContact CB-CB 4.35Å; D141-A148 PolarHBondContact N-O 3.37Å; D141-A148 PolarHBondContact O-N 2.9Å; D141-H150 IonicContact OD2-CD2 3.22Å; D141-H150 IonicContact OD2-NE2 2.76Å; D141-H150 PolarHBondContact OD2-NE2 2.8Å
142F86.3Confident90.9Very high97 Ų9753.7 Ų53.743%0.42531%0.305SS..EExtended strand (participates in β ladder)trans-92.298.5173.3-60.3-88000109.5G123 I125 V140 P147G123-F142 PolarHBondContact N-O 2.85Å; G123-F142 WeakPolarHBondContact O-CA 3.31Å; G123-F142 WeakPolarHBondContact O-CB 3.45Å; G123-F142 PolarHBondContact O-N 2.82Å; I125-F142 HydrophobicContact CB-CE2 4.34Å; I125-F142 HydrophobicContact CD1-CE2 3.61Å; I125-F142 HydrophobicContact CD1-CZ 4.01Å; I125-F142 HydrophobicContact CG1-CE2 3.83Å; V140-F142 HydrophobicContact CB-CE2 4.11Å; V140-F142 HydrophobicContact CB-CZ 4.3Å; V140-F142 HydrophobicContact CG1-CD2 4.32Å; V140-F142 HydrophobicContact CG1-CE1 4.03Å; V140-F142 HydrophobicContact CG1-CE2 3.74Å; V140-F142 HydrophobicContact CG1-CZ 3.59Å; F142-P147 HydrophobicContact CD1-CB 4.36Å
143D74.5Confident91.2Very high80 Ų8049 Ų4943%0.42829%0.287SS..  trans-107.2157.2166.4-160.9-1.7000110.1D141 A145 G146D141-D143 PolarHBondContact O-N 2.8Å; D143-A145 PolarHBondContact O-N 2.97Å; D143-G146 PolarHBondContact O-N 3.31Å; D143-G146 VanDerWaalsContact O-N 3.07Å
144F70.6Confident91.5Very high177 Ų17747.5 Ų47.578%0.77628%0.277SS*.THydrogen-bonded Turntrans-61.3-25.3177.7-82.3-85.8000112.9G146F144-G146 PolarHBondContact O-N 3.1Å
145A74.1Confident91.5Very high78 Ų7851.1 Ų51.165%0.64529%0.291SS*.THydrogen-bonded Turntrans-74.3-7.5177.400000113.9D143 A171D143-A145 PolarHBondContact O-N 2.97Å; A145-A171 WeakPolarHBondContact O-CB 3.28Å
146G80Confident91.4Very high24 Ų2451.3 Ų51.325%0.24730%0.295CS..  trans116.7147.2-176.100000111.7D143 F144D143-G146 PolarHBondContact O-N 3.31Å; D143-G146 VanDerWaalsContact O-N 3.07Å; F144-G146 PolarHBondContact O-N 3.1Å
147P90Very high91.2Very high46 Ų4655.2 Ų55.230%0.29931%0.306SS..  trans-68.7142.1-172.523.2-30.2000112.6V140 D141 F142 S170V140-P147 HydrophobicContact CG1-CB 4.25Å; D141-P147 CarbonylContact O-C 3.54Å; D141-P147 WeakPolarHBondContact O-CA 3.18Å; F142-P147 HydrophobicContact CD1-CB 4.36Å; P147-S170 WeakPolarHBondContact CD-OG 3.12Å; P147-S170 VanDerWaalsContact CG-OG 3.27Å; P147-S170 WeakPolarHBondContact CG-OG 3.5Å; P147-S170 VanDerWaalsContact O-CB 3.31Å; P147-S170 WeakPolarHBondContact O-CB 3.43Å; P147-S170 PolarHBondContact O-N 2.89Å; P147-S170 PolarHBondContact O-OG 3.29Å
148A93.1Very high90.9Very high23 Ų2360 Ų6019%0.1933%0.325CS..EExtended strand (participates in β ladder)trans-106.1130.216900000109.4V140 D141 T167 F168V140-A148 WeakPolarHBondContact CA-O 3.23Å; D141-A148 HydrophobicContact CB-CB 4.35Å; D141-A148 PolarHBondContact N-O 3.37Å; D141-A148 PolarHBondContact O-N 2.9Å; A148-T167 HydrophobicContact CB-CG2 4.48Å; A148-F168 WeakPolarHBondContact CA-O 3.5Å
149I95.7Very high90.6Very high67 Ų6758.8 Ų58.834%0.34432%0.321SS..EExtended strand (participates in β ladder)trans-104.7120.4178.7-55.6173.8000107.8D139 V140 T167 F168D139-I149 CarbonylContact O-C 3.57Å; D139-I149 WeakPolarHBondContact O-CA 3.36Å; V140-I149 HydrophobicContact CG2-CG1 4.47Å; I149-T167 CarbonylContact O-C 3.47Å; I149-T167 VanDerWaalsContact O-CA 3.3Å; I149-T167 WeakPolarHBondContact O-CA 3.26Å; I149-F168 HydrophobicContact CB-CB 4.5Å; I149-F168 PolarHBondContact N-O 3.08Å; I149-F168 PolarHBondContact O-N 3.36Å
150H96.4Very high90.6Very high43 Ų4363.2 Ų63.220%0.19933%0.334CS..EExtended strand (participates in β ladder)trans-107.3117.2177.8-49.6-79.7000109C138 D139 D141 M166 T167C138-H150 CarbonylContact C-O 3.55Å; C138-H150 VanDerWaalsContact CA-O 3.28Å; C138-H150 WeakPolarHBondContact CA-O 3.39Å; D139-H150 HydrophobicContact CB-CB 4.19Å; D139-H150 PolarHBondContact N-O 3.18Å; D139-H150 PolarHBondContact O-N 3.19Å; D141-H150 IonicContact OD2-CD2 3.22Å; D141-H150 IonicContact OD2-NE2 2.76Å; D141-H150 PolarHBondContact OD2-NE2 2.8Å; H150-M166 WeakPolarHBondContact CA-O 3.37Å; H150-T167 WeakPolarHBondContact CE1-CG2 3.26Å; H150-T167 WeakPolarHBondContact ND1-CG2 3.29Å; H150-T167 PolarHBondContact ND1-OG1 3.35Å
151G97.8Very high90.7Very high13 Ų1362.8 Ų62.813%0.13433%0.331CS..EExtended strand (participates in β ladder)trans-106.6141.9174.600000110.4G137 Q165 M166G137-G151 CarbonylContact O-C 3.57Å; G151-Q165 CarbonylContact O-C 3.59Å; G151-Q165 WeakPolarHBondContact O-CA 3.46Å; G151-M166 PolarHBondContact N-O 3.48Å; G151-M166 PolarHBondContact O-N 2.74Å
152S98.2Very high91Very high31 Ų3163.4 Ų63.422%0.21734%0.341CS..EExtended strand (participates in β ladder)trans-144.6145169.963.20000111.2L136 G137 Y164L136-S152 CarbonylContact C-O 3.53Å; L136-S152 WeakPolarHBondContact CA-O 3.42Å; G137-S152 PolarHBondContact N-O 2.79Å; G137-S152 PolarHBondContact O-N 2.98Å; S152-Y164 CarbonylContact C-O 3.52Å; S152-Y164 VanDerWaalsContact CA-O 3.27Å; S152-Y164 WeakPolarHBondContact CA-O 3.09Å
153A98.2Very high91.6Very high20 Ų2059.1 Ų59.117%0.16532%0.324CS..EExtended strand (participates in β ladder)trans-143136.1175.800000109N135 L136 F155 G163 Y164N135-A153 CarbonylContact O-C 3.54Å; N135-A153 WeakPolarHBondContact O-CA 3.36Å; L136-A153 HydrophobicContact CD2-CB 3.55Å; A153-F155 HydrophobicContact CB-CE2 4.17Å; A153-G163 CarbonylContact O-C 3.59Å; A153-G163 VanDerWaalsContact O-CA 3.31Å; A153-G163 WeakPolarHBondContact O-CA 3.35Å; A153-Y164 PolarHBondContact N-O 2.82Å; A153-Y164 PolarHBondContact O-N 2.68Å
154V98.2Very high92.7Very high0 Ų058.2 Ų58.20%032%0.315CS..EExtended strand (participates in β ladder)trans-130.1125.4172.6-174.80000108.6P15 Y18 L21 I134 N135 L161 A162P15-V154 HydrophobicContact CB-CB 4.46Å; P15-V154 HydrophobicContact CB-CG1 3.87Å; P15-V154 HydrophobicContact CG-CG1 4.47Å; Y18-V154 HydrophobicContact CD2-CG2 4.42Å; L21-V154 HydrophobicContact CD1-CG2 4.11Å; L21-V154 HydrophobicContact CD2-CG1 4.15Å; I134-V154 CarbonylContact C-O 3.59Å; I134-V154 WeakPolarHBondContact CA-O 3.42Å; N135-V154 HydrophobicContact CB-CB 4.43Å; N135-V154 PolarHBondContact N-O 2.78Å; N135-V154 PolarHBondContact O-N 2.84Å; V154-L161 HydrophobicContact CG1-CD2 4.49Å; V154-A162 CarbonylContact C-O 3.51Å; V154-A162 WeakPolarHBondContact CA-O 3.38Å
155F97Very high94Very high116 Ų11651.7 Ų51.751%0.50929%0.287SS..EExtended strand (participates in β ladder)trans-103.6138.2172.2-61.4-86.6000109.2C133 I134 A153 L161 A162C133-F155 CarbonylContact O-C 3.57Å; C133-F155 VanDerWaalsContact O-CA 3.28Å; C133-F155 WeakPolarHBondContact O-CA 3.02Å; I134-F155 HydrophobicContact CB-CD1 4.48Å; I134-F155 HydrophobicContact CD1-CD1 4.16Å; I134-F155 HydrophobicContact CD1-CE1 3.49Å; I134-F155 VanDerWaalsContact CD1-CE1 3.49Å; I134-F155 HydrophobicContact CD1-CZ 4.09Å; I134-F155 HydrophobicContact CG1-CD1 4.04Å; I134-F155 HydrophobicContact CG1-CE1 3.84Å; I134-F155 HydrophobicContact CG1-CZ 4.49Å; A153-F155 HydrophobicContact CB-CE2 4.17Å; F155-L161 CarbonylContact O-C 3.57Å; F155-L161 VanDerWaalsContact O-CA 3.31Å; F155-L161 WeakPolarHBondContact O-CA 3.32Å; F155-A162 PolarHBondContact N-O 2.82Å; F155-A162 PolarHBondContact O-N 2.79Å
156G95.8Very high95.1Very high10 Ų1051.5 Ų51.510%0.10327%0.273CS..EExtended strand (participates in β ladder)trans-127.9130.8177.600000111.5C133 W160C133-G156 VanDerWaalsContact CA-O 3.27Å; C133-G156 WeakPolarHBondContact CA-O 3.36Å; C133-G156 WeakPolarHBondContact CB-O 3.47Å; C133-G156 PolarHBondContact O-N 2.8Å; C133-G156 PolarHBondContact SG-O 2.89Å; C133-G156 VanDerWaalsContact SG-O 3.41Å; G156-W160 CarbonylContact C-O 3.59Å; G156-W160 VanDerWaalsContact CA-O 3.27Å; G156-W160 WeakPolarHBondContact CA-O 3.47Å
157Y93.6Very high95.9Very high146 Ų14650.7 Ų50.757%0.57326%0.263SS*.EExtended strand (participates in β ladder)trans-151124.4176.4-173.5-95.8000110.4G159 W160Y157-G159 PolarHBondContact O-N 2.96Å; Y157-W160 PolarHBondContact N-O 2.97Å; Y157-W160 WeakPolarHBondContact O-CA 3.22Å; Y157-W160 WeakPolarHBondContact O-CB 3.34Å; Y157-W160 PolarHBondContact O-N 3.25Å
158E90.6Very high96.2Very high115 Ų11552.1 Ų52.154%0.53727%0.265SS..THydrogen-bonded Turntrans47.837.3178.3-68.8-177.2-168.500115.1W160E158-W160 VanDerWaalsContact C-N 3.3Å; E158-W160 PolarHBondContact O-N 2.97Å
159G91.4Very high96.2Very high27 Ų2752 Ų5228%0.27826%0.262SS..THydrogen-bonded Turntrans89.4-18.1-178.900000114.3Y157 Y184 R185Y157-G159 PolarHBondContact O-N 2.96Å; G159-Y184 CarbonylContact O-C 3.51Å; G159-Y184 WeakPolarHBondContact O-CA 3.45Å; G159-R185 WeakPolarHBondContact CA-O 3.42Å; G159-R185 PolarHBondContact O-N 2.88Å
160W95.7Very high95.9Very high144 Ų14450.6 Ų50.655%0.54526%0.258SS..EExtended strand (participates in β ladder)trans-70.9142168.9-66.293.9000110.9G156 Y157 E158 V182 Y184G156-W160 CarbonylContact C-O 3.59Å; G156-W160 VanDerWaalsContact CA-O 3.27Å; G156-W160 WeakPolarHBondContact CA-O 3.47Å; Y157-W160 PolarHBondContact N-O 2.97Å; Y157-W160 WeakPolarHBondContact O-CA 3.22Å; Y157-W160 WeakPolarHBondContact O-CB 3.34Å; Y157-W160 PolarHBondContact O-N 3.25Å; E158-W160 VanDerWaalsContact C-N 3.3Å; E158-W160 PolarHBondContact O-N 2.97Å; W160-V182 HydrophobicContact CE3-CG1 4.5Å; W160-Y184 HydrophobicContact CB-CD2 4.46Å; W160-Y184 AromaticContact CD1-CD2 3.88Å; W160-Y184 AromaticContact CD1-CE2 3.78Å; W160-Y184 AromaticContact CD2-CD2 3.53Å; W160-Y184 HydrophobicContact CD2-CD2 3.53Å; W160-Y184 HydrophobicContact CD2-CE2 4.13Å; W160-Y184 HydrophobicContact CD2-CG 4.42Å; W160-Y184 AromaticContact CE2-CD2 3.59Å; W160-Y184 AromaticContact CE2-CE2 3.8Å; W160-Y184 HydrophobicContact CE3-CD2 4Å; W160-Y184 AromaticContact CG-CD2 3.75Å; W160-Y184 HydrophobicContact CG-CD2 3.75Å; W160-Y184 HydrophobicContact CG-CE2 4.12Å; W160-Y184 HydrophobicContact CZ2-CD2 4.13Å; W160-Y184 HydrophobicContact CZ2-CE2 4.39Å; W160-Y184 HydrophobicContact CZ3-CD2 4.49Å; W160-Y184 AromaticContact NE1-CD2 3.79Å; W160-Y184 AromaticContact NE1-CE2 3.57Å
161L96.8Very high95.6Very high27 Ų2751.6 Ų51.614%0.14127%0.273CS..EExtended strand (participates in β ladder)trans-129.4127.7176.8-62.9172.7000108.6P15 P16 L21 V154 F155 V182 G183P15-L161 HydrophobicContact CB-CD2 3.87Å; P16-L161 HydrophobicContact CG-CD1 4.2Å; L21-L161 HydrophobicContact CD2-CB 4.21Å; L21-L161 HydrophobicContact CD2-CD1 3.92Å; V154-L161 HydrophobicContact CG1-CD2 4.49Å; F155-L161 CarbonylContact O-C 3.57Å; F155-L161 VanDerWaalsContact O-CA 3.31Å; F155-L161 WeakPolarHBondContact O-CA 3.32Å; L161-V182 CarbonylContact O-C 3.57Å; L161-V182 WeakPolarHBondContact O-CA 3.41Å; L161-G183 PolarHBondContact N-O 2.86Å; L161-G183 PolarHBondContact O-N 2.82Å
162A97.7Very high95.2Very high48 Ų4857.1 Ų57.140%0.39729%0.293SS..EExtended strand (participates in β ladder)trans-122.7118.8172.600000108.7V154 F155V154-A162 CarbonylContact C-O 3.51Å; V154-A162 WeakPolarHBondContact CA-O 3.38Å; F155-A162 PolarHBondContact N-O 2.82Å; F155-A162 PolarHBondContact O-N 2.79Å
163G98.1Very high94.8Very high7 Ų760.1 Ų60.17%0.07231%0.314CS..EExtended strand (participates in β ladder)trans-117.9142.2-176.600000111.9A153 A181A153-G163 CarbonylContact O-C 3.59Å; A153-G163 VanDerWaalsContact O-CA 3.31Å; A153-G163 WeakPolarHBondContact O-CA 3.35Å; G163-A181 PolarHBondContact N-O 3.37Å; G163-A181 PolarHBondContact O-N 3.06Å
164Y98.3Very high94.6Very high61 Ų6164.4 Ų64.424%0.23933%0.33CS..EExtended strand (participates in β ladder)trans-131.9136.5168.8-179-119.1000109.8S152 A153 M166 N178 N179 F180S152-Y164 CarbonylContact C-O 3.52Å; S152-Y164 VanDerWaalsContact CA-O 3.27Å; S152-Y164 WeakPolarHBondContact CA-O 3.09Å; A153-Y164 PolarHBondContact N-O 2.82Å; A153-Y164 PolarHBondContact O-N 2.68Å; Y164-M166 HydrophobicContact CD1-CE 4.09Å; Y164-M166 HydrophobicContact CE1-CB 3.85Å; Y164-M166 HydrophobicContact CE1-CE 3.56Å; Y164-M166 HydrophobicContact CE1-CG 4.3Å; Y164-M166 HydrophobicContact CE1-SD 4.09Å; Y164-N178 PolarHBondContact OH-ND2 2.84Å; Y164-N179 WeakPolarHBondContact CA-O 3.44Å; Y164-N179 WeakPolarHBondContact CD2-O 3.49Å; Y164-F180 AromaticContact CD2-CD1 3.61Å; Y164-F180 HydrophobicContact CD2-CD1 3.61Å; Y164-F180 AromaticContact CD2-CE1 3.42Å; Y164-F180 HydrophobicContact CD2-CE1 3.42Å; Y164-F180 VanDerWaalsContact CD2-CE1 3.42Å; Y164-F180 HydrophobicContact CD2-CG 4.26Å; Y164-F180 AromaticContact CD2-CZ 3.95Å; Y164-F180 HydrophobicContact CD2-CZ 3.95Å; Y164-F180 HydrophobicContact CE2-CD1 4.16Å; Y164-F180 AromaticContact CE2-CE1 3.6Å; Y164-F180 HydrophobicContact CE2-CE1 3.6Å; Y164-F180 HydrophobicContact CE2-CE2 4.21Å; Y164-F180 AromaticContact CE2-CZ 3.63Å; Y164-F180 HydrophobicContact CE2-CZ 3.63Å; Y164-F180 HydrophobicContact CG-CE1 4.43Å
165Q97.9Very high94.4Very high39 Ų3968.2 Ų68.218%0.18235%0.349CS..EExtended strand (participates in β ladder)trans-131.9135.2173.2174.2-17776.300109.5Y18 G151 N179Y18-Q165 HydrophobicContact CD1-CB 3.54Å; Y18-Q165 HydrophobicContact CD1-CG 4.16Å; Y18-Q165 HydrophobicContact CD2-CB 3.85Å; Y18-Q165 HydrophobicContact CE1-CB 3.51Å; Y18-Q165 HydrophobicContact CE1-CG 4.27Å; Y18-Q165 HydrophobicContact CE2-CB 3.81Å; Y18-Q165 HydrophobicContact CG-CB 3.73Å; G151-Q165 CarbonylContact O-C 3.59Å; G151-Q165 WeakPolarHBondContact O-CA 3.46Å; Q165-N179 HydrophobicContact CB-CB 4.31Å; Q165-N179 PolarHBondContact N-O 2.67Å; Q165-N179 PolarHBondContact O-N 3.42Å; Q165-N179 PolarHBondContact OE1-ND2 2.91Å; Q165-N179 VanDerWaalsContact OE1-ND2 3.13Å
166M97.4Very high94.2Very high74 Ų7465.5 Ų65.537%0.36534%0.343SS..EExtended strand (participates in β ladder)trans-132.8153.9179.478.6177.6106.700111H150 G151 Y164 L175 R177H150-M166 WeakPolarHBondContact CA-O 3.37Å; G151-M166 PolarHBondContact N-O 3.48Å; G151-M166 PolarHBondContact O-N 2.74Å; Y164-M166 HydrophobicContact CD1-CE 4.09Å; Y164-M166 HydrophobicContact CE1-CB 3.85Å; Y164-M166 HydrophobicContact CE1-CE 3.56Å; Y164-M166 HydrophobicContact CE1-CG 4.3Å; Y164-M166 HydrophobicContact CE1-SD 4.09Å; M166-L175 HydrophobicContact CB-CD1 4.02Å; M166-L175 HydrophobicContact CG-CD1 4.49Å; M166-R177 CarbonylContact C-O 3.53Å; M166-R177 VanDerWaalsContact CA-O 3.26Å; M166-R177 WeakPolarHBondContact CA-O 3.34Å
167T96.7Very high94.2Very high7 Ų770.4 Ų70.44%0.04336%0.358CS..EExtended strand (participates in β ladder)trans-135.2127.7168-59.90000109.5A148 I149 H150 L175 T176 R177A148-T167 HydrophobicContact CB-CG2 4.48Å; I149-T167 CarbonylContact O-C 3.47Å; I149-T167 VanDerWaalsContact O-CA 3.3Å; I149-T167 WeakPolarHBondContact O-CA 3.26Å; H150-T167 WeakPolarHBondContact CE1-CG2 3.26Å; H150-T167 WeakPolarHBondContact ND1-CG2 3.29Å; H150-T167 PolarHBondContact ND1-OG1 3.35Å; T167-L175 CarbonylContact O-C 3.53Å; T167-L175 WeakPolarHBondContact O-CA 3.38Å; T167-L175 WeakPolarHBondContact O-CD1 3.07Å; T167-T176 WeakPolarHBondContact CG2-OG1 3.26Å; T167-T176 PolarHBondContact O-N 2.91Å; T167-T176 PolarHBondContact O-OG1 2.73Å; T167-R177 PolarHBondContact N-O 3.06Å; T167-R177 PolarHBondContact O-N 2.56Å
168F95.3Very high94.3Very high76 Ų7665.7 Ų65.733%0.33334%0.342SS..EExtended strand (participates in β ladder)trans-110.5121.1175.8-177.1-101000109.8A148 I149 L175A148-F168 WeakPolarHBondContact CA-O 3.5Å; I149-F168 HydrophobicContact CB-CB 4.5Å; I149-F168 PolarHBondContact N-O 3.08Å; I149-F168 PolarHBondContact O-N 3.36Å; F168-L175 HydrophobicContact CB-CD1 4.46Å
169D92.9Very high94.7Very high22 Ų2260.5 Ų60.512%0.11832%0.319CS..EExtended strand (participates in β ladder)trans-91.3109.7173.6178.3-27.1000108A171 K172 S173 K174 T176D169-A171 WeakPolarHBondContact OD1-CB 3.23Å; D169-A171 PolarHBondContact OD1-N 3.3Å; D169-A171 VanDerWaalsContact OD1-N 3.08Å; D169-K172 HydrophobicContact CB-CB 4.3Å; D169-K172 PolarHBondContact O-N 3.34Å; D169-K172 PolarHBondContact OD1-N 3.5Å; D169-K172 WeakPolarHBondContact OD2-CD 3.34Å; D169-K172 WeakPolarHBondContact OD2-CG 3.25Å; D169-K172 IonicContact OD2-NZ 2.85Å; D169-K172 PolarHBondContact OD2-NZ 3.34Å; D169-S173 WeakPolarHBondContact O-CA 3.2Å; D169-S173 PolarHBondContact O-N 2.81Å; D169-K174 PolarHBondContact N-O 3.48Å; D169-K174 PolarHBondContact O-N 3.08Å; D169-T176 HydrophobicContact CB-CG2 3.53Å
170S90.3Very high95Very high37 Ų3764.5 Ų64.526%0.25933%0.328SS..THydrogen-bonded Turntrans-68.1-34.2-175.864.80000113P147 K172 S173P147-S170 WeakPolarHBondContact CD-OG 3.12Å; P147-S170 VanDerWaalsContact CG-OG 3.27Å; P147-S170 WeakPolarHBondContact CG-OG 3.5Å; P147-S170 VanDerWaalsContact O-CB 3.31Å; P147-S170 WeakPolarHBondContact O-CB 3.43Å; P147-S170 PolarHBondContact O-N 2.89Å; P147-S170 PolarHBondContact O-OG 3.29Å; S170-K172 VanDerWaalsContact C-N 3.32Å; S170-K172 PolarHBondContact O-N 2.86Å; S170-S173 PolarHBondContact O-N 2.78Å; S170-S173 PolarHBondContact O-OG 3.13Å
171A89Confident95.1Very high64 Ų6457.9 Ų57.953%0.52930%0.304SS..THydrogen-bonded Turntrans-66.6-37.2178.700000111.5A145 D169A145-A171 WeakPolarHBondContact O-CB 3.28Å; D169-A171 WeakPolarHBondContact OD1-CB 3.23Å; D169-A171 PolarHBondContact OD1-N 3.3Å; D169-A171 VanDerWaalsContact OD1-N 3.08Å
172K89.8Confident95.2Very high128 Ų12860 Ų6056%0.55732%0.318SS*.THydrogen-bonded Turntrans-88.9-5.8175.6-60.8-170.9-171.392.70113.5D169 S170 K174D169-K172 HydrophobicContact CB-CB 4.3Å; D169-K172 PolarHBondContact O-N 3.34Å; D169-K172 PolarHBondContact OD1-N 3.5Å; D169-K172 WeakPolarHBondContact OD2-CD 3.34Å; D169-K172 WeakPolarHBondContact OD2-CG 3.25Å; D169-K172 IonicContact OD2-NZ 2.85Å; D169-K172 PolarHBondContact OD2-NZ 3.34Å; S170-K172 VanDerWaalsContact C-N 3.32Å; S170-K172 PolarHBondContact O-N 2.86Å; K172-K174 HydrophobicContact CB-CB 4.48Å; K172-K174 HydrophobicContact CB-CD 3.98Å; K172-K174 HydrophobicContact CB-CG 3.8Å; K172-K174 HydrophobicContact CD-CD 4.23Å; K172-K174 PolarHBondContact O-N 2.8Å; K172-K174 VanDerWaalsContact O-N 3.15Å
173S90.9Very high95.1Very high94 Ų9458 Ų5866%0.65730%0.301SS*.THydrogen-bonded Turntrans46.141-172.9-66.50000112.8D169 S170D169-S173 WeakPolarHBondContact O-CA 3.2Å; D169-S173 PolarHBondContact O-N 2.81Å; S170-S173 PolarHBondContact O-N 2.78Å; S170-S173 PolarHBondContact O-OG 3.13Å
174K93.8Very high95Very high111 Ų11160.2 Ų60.248%0.48331%0.308SS..EExtended strand (participates in β ladder)trans-139.1151.9-174.683.4-177.7-170.21770112.6D169 K172 T176D169-K174 PolarHBondContact N-O 3.48Å; D169-K174 PolarHBondContact O-N 3.08Å; K172-K174 HydrophobicContact CB-CB 4.48Å; K172-K174 HydrophobicContact CB-CD 3.98Å; K172-K174 HydrophobicContact CB-CG 3.8Å; K172-K174 HydrophobicContact CD-CD 4.23Å; K172-K174 PolarHBondContact O-N 2.8Å; K172-K174 VanDerWaalsContact O-N 3.15Å; K174-T176 HydrophobicContact CD-CG2 4.47Å; K174-T176 HydrophobicContact CG-CG2 3.92Å; K174-T176 PolarHBondContact O-N 2.63Å
175L93.1Very high94.7Very high79 Ų7963.7 Ų63.741%0.41432%0.321SS..EExtended strand (participates in β ladder)trans-73.1123.3166.5-159.974.3000109.4M166 T167 F168 R177 N178M166-L175 HydrophobicContact CB-CD1 4.02Å; M166-L175 HydrophobicContact CG-CD1 4.49Å; T167-L175 CarbonylContact O-C 3.53Å; T167-L175 WeakPolarHBondContact O-CA 3.38Å; T167-L175 WeakPolarHBondContact O-CD1 3.07Å; F168-L175 HydrophobicContact CB-CD1 4.46Å; L175-R177 WeakPolarHBondContact CG-O 3.33Å; L175-N178 HydrophobicContact CD2-CB 3.74Å; L175-N178 VanDerWaalsContact CD2-ND2 3.28Å; L175-N178 WeakPolarHBondContact CD2-ND2 3.3Å
176T93.8Very high94.3Very high60 Ų6063.4 Ų63.437%0.36832%0.322SS..EExtended strand (participates in β ladder)trans-107.2-14.4-17952.70000113.4T167 D169 K174T167-T176 WeakPolarHBondContact CG2-OG1 3.26Å; T167-T176 PolarHBondContact O-N 2.91Å; T167-T176 PolarHBondContact O-OG1 2.73Å; D169-T176 HydrophobicContact CB-CG2 3.53Å; K174-T176 HydrophobicContact CD-CG2 4.47Å; K174-T176 HydrophobicContact CG-CG2 3.92Å; K174-T176 PolarHBondContact O-N 2.63Å
177R95.3Very high93.7Very high113 Ų11364 Ų6443%0.42635%0.347SS..EExtended strand (participates in β ladder)trans-143.3135.1174.9-167.8-179.8-63.6-154.51.1110.3M166 T167 L175 N179 D197M166-R177 CarbonylContact C-O 3.53Å; M166-R177 VanDerWaalsContact CA-O 3.26Å; M166-R177 WeakPolarHBondContact CA-O 3.34Å; T167-R177 PolarHBondContact N-O 3.06Å; T167-R177 PolarHBondContact O-N 2.56Å; L175-R177 WeakPolarHBondContact CG-O 3.33Å; R177-N179 WeakPolarHBondContact CD-ND2 3.25Å; R177-N179 WeakPolarHBondContact CG-ND2 3.19Å; R177-D197 VanDerWaalsContact CA-OD1 3.27Å; R177-D197 WeakPolarHBondContact CA-OD1 3.26Å
178N96.6Very high93.4Very high46 Ų4667.5 Ų67.525%0.24637%0.365CS..EExtended strand (participates in β ladder)trans-145.6102.5176.5-170-64000109.4Y164 L175 F180 D197Y164-N178 PolarHBondContact OH-ND2 2.84Å; L175-N178 HydrophobicContact CD2-CB 3.74Å; L175-N178 VanDerWaalsContact CD2-ND2 3.28Å; L175-N178 WeakPolarHBondContact CD2-ND2 3.3Å; N178-F180 WeakPolarHBondContact OD1-CE2 3.34Å; N178-F180 WeakPolarHBondContact OD1-CZ 3.23Å; N178-D197 PolarHBondContact N-OD1 2.86Å; N178-D197 WeakPolarHBondContact O-CA 3.42Å; N178-D197 PolarHBondContact O-N 2.91Å
179N98.1Very high93.3Very high7 Ų767.3 Ų67.34%0.03736%0.364CS..EExtended strand (participates in β ladder)trans-124.2136.6-173.4-55.7-23000110.9Y18 Y164 Q165 R177 V195 N196 D197Y18-N179 HydrophobicContact CE1-CB 4.38Å; Y18-N179 WeakPolarHBondContact OH-CB 3.48Å; Y164-N179 WeakPolarHBondContact CA-O 3.44Å; Y164-N179 WeakPolarHBondContact CD2-O 3.49Å; Q165-N179 HydrophobicContact CB-CB 4.31Å; Q165-N179 PolarHBondContact N-O 2.67Å; Q165-N179 PolarHBondContact O-N 3.42Å; Q165-N179 PolarHBondContact OE1-ND2 2.91Å; Q165-N179 VanDerWaalsContact OE1-ND2 3.13Å; R177-N179 WeakPolarHBondContact CD-ND2 3.25Å; R177-N179 WeakPolarHBondContact CG-ND2 3.19Å; N179-V195 CarbonylContact C-O 3.54Å; N179-V195 VanDerWaalsContact CA-O 3.31Å; N179-V195 WeakPolarHBondContact CA-O 3.38Å; N179-N196 WeakPolarHBondContact OD1-CA 3.36Å; N179-N196 WeakPolarHBondContact OD1-CB 3.22Å; N179-D197 PolarHBondContact OD1-N 2.8Å
180F97.9Very high93.4Very high111 Ų11168.5 Ų68.549%0.48737%0.369SS..EExtended strand (participates in β ladder)trans-116145.3174.5-61-87.1000109.8Y164 N178 N194 V195Y164-F180 AromaticContact CD2-CD1 3.61Å; Y164-F180 HydrophobicContact CD2-CD1 3.61Å; Y164-F180 AromaticContact CD2-CE1 3.42Å; Y164-F180 HydrophobicContact CD2-CE1 3.42Å; Y164-F180 VanDerWaalsContact CD2-CE1 3.42Å; Y164-F180 HydrophobicContact CD2-CG 4.26Å; Y164-F180 AromaticContact CD2-CZ 3.95Å; Y164-F180 HydrophobicContact CD2-CZ 3.95Å; Y164-F180 HydrophobicContact CE2-CD1 4.16Å; Y164-F180 AromaticContact CE2-CE1 3.6Å; Y164-F180 HydrophobicContact CE2-CE1 3.6Å; Y164-F180 HydrophobicContact CE2-CE2 4.21Å; Y164-F180 AromaticContact CE2-CZ 3.63Å; Y164-F180 HydrophobicContact CE2-CZ 3.63Å; Y164-F180 HydrophobicContact CG-CE1 4.43Å; N178-F180 WeakPolarHBondContact OD1-CE2 3.34Å; N178-F180 WeakPolarHBondContact OD1-CZ 3.23Å; F180-N194 CarbonylContact O-C 3.6Å; F180-N194 WeakPolarHBondContact O-CA 3.31Å; F180-N194 WeakPolarHBondContact O-CB 3.1Å; F180-V195 PolarHBondContact N-O 2.77Å; F180-V195 PolarHBondContact O-N 2.88Å
181A97.9Very high93.7Very high4 Ų470.2 Ų70.23%0.03338%0.375CS..EExtended strand (participates in β ladder)trans-139.4139173.600000110.7Y18 L21 G163 T193 N194Y18-A181 HydrophobicContact CE2-CB 3.9Å; L21-A181 HydrophobicContact CD1-CB 3.65Å; G163-A181 PolarHBondContact N-O 3.37Å; G163-A181 PolarHBondContact O-N 3.06Å; A181-T193 CarbonylContact C-O 3.55Å; A181-T193 VanDerWaalsContact CA-O 3.26Å; A181-T193 WeakPolarHBondContact CA-O 3.43Å; A181-N194 HydrophobicContact CB-CB 4.18Å
182V97.6Very high94.1Very high73 Ų7368.4 Ų68.444%0.44236%0.356SS..EExtended strand (participates in β ladder)trans-126.6131.2169-178.60000107.8W160 L161 T193W160-V182 HydrophobicContact CE3-CG1 4.5Å; L161-V182 CarbonylContact O-C 3.57Å; L161-V182 WeakPolarHBondContact O-CA 3.41Å; V182-T193 PolarHBondContact N-O 2.82Å; V182-T193 PolarHBondContact O-N 2.78Å; V182-T193 VanDerWaalsContact O-O 3.07Å; V182-T193 PolarHBondContact O-OG1 2.86Å
183G96.6Very high94.5Very high4 Ų465 Ų654%0.04135%0.346CS..EExtended strand (participates in β ladder)trans-134.2162.8176.700000111.8L161 L191L161-G183 PolarHBondContact N-O 2.86Å; L161-G183 PolarHBondContact O-N 2.82Å; G183-L191 CarbonylContact C-O 3.56Å; G183-L191 WeakPolarHBondContact CA-O 3.3Å
184Y95.7Very high94.8Very high54 Ų5462.1 Ų62.121%0.21232%0.323CS..EExtended strand (participates in β ladder)trans-138.3131.4171.3-174.4-109.9000108.8G159 W160 T186 F189 Q190 L191G159-Y184 CarbonylContact O-C 3.51Å; G159-Y184 WeakPolarHBondContact O-CA 3.45Å; W160-Y184 HydrophobicContact CB-CD2 4.46Å; W160-Y184 AromaticContact CD1-CD2 3.88Å; W160-Y184 AromaticContact CD1-CE2 3.78Å; W160-Y184 AromaticContact CD2-CD2 3.53Å; W160-Y184 HydrophobicContact CD2-CD2 3.53Å; W160-Y184 HydrophobicContact CD2-CE2 4.13Å; W160-Y184 HydrophobicContact CD2-CG 4.42Å; W160-Y184 AromaticContact CE2-CD2 3.59Å; W160-Y184 AromaticContact CE2-CE2 3.8Å; W160-Y184 HydrophobicContact CE3-CD2 4Å; W160-Y184 AromaticContact CG-CD2 3.75Å; W160-Y184 HydrophobicContact CG-CD2 3.75Å; W160-Y184 HydrophobicContact CG-CE2 4.12Å; W160-Y184 HydrophobicContact CZ2-CD2 4.13Å; W160-Y184 HydrophobicContact CZ2-CE2 4.39Å; W160-Y184 HydrophobicContact CZ3-CD2 4.49Å; W160-Y184 AromaticContact NE1-CD2 3.79Å; W160-Y184 AromaticContact NE1-CE2 3.57Å; Y184-T186 HydrophobicContact CD1-CG2 4.05Å; Y184-T186 HydrophobicContact CE1-CG2 3.36Å; Y184-F189 AromaticContact CD1-CE2 3.96Å; Y184-F189 HydrophobicContact CD1-CE2 3.96Å; Y184-F189 HydrophobicContact CD1-CZ 4.02Å; Y184-F189 HydrophobicContact CE1-CE2 4.41Å; Y184-F189 AromaticContact CE1-CZ 4Å; Y184-F189 HydrophobicContact CE1-CZ 4Å; Y184-Q190 CarbonylContact O-C 3.56Å; Y184-Q190 WeakPolarHBondContact O-CA 3.26Å; Y184-L191 PolarHBondContact N-O 2.78Å; Y184-L191 PolarHBondContact O-N 2.77Å
185R92.4Very high94.9Very high134 Ų13458.9 Ų58.951%0.50631%0.312SS..EExtended strand (participates in β ladder)trans-126.9126.9-176.3172.9170.2-177.2-160.71110.3G159 Q190G159-R185 WeakPolarHBondContact CA-O 3.42Å; G159-R185 PolarHBondContact O-N 2.88Å; R185-Q190 HydrophobicContact CB-CG 4.14Å; R185-Q190 HydrophobicContact CG-CG 3.86Å
186T89.7Confident95.1Very high33 Ų3356.6 Ų56.620%0.20230%0.301CS..  trans-113.2-168168.664.90000109.8Y184 D188 F189Y184-T186 HydrophobicContact CD1-CG2 4.05Å; Y184-T186 HydrophobicContact CE1-CG2 3.36Å; T186-D188 VanDerWaalsContact C-N 3.35Å; T186-D188 WeakPolarHBondContact CB-OD1 3.46Å; T186-D188 PolarHBondContact OG1-N 3.24Å; T186-D188 PolarHBondContact OG1-OD1 2.91Å; T186-F189 HydrophobicContact CG2-CD1 4.19Å; T186-F189 HydrophobicContact CG2-CE1 3.56Å; T186-F189 HydrophobicContact CG2-CE2 4.36Å; T186-F189 HydrophobicContact CG2-CZ 3.66Å; T186-F189 PolarHBondContact N-O 3.41Å; T186-F189 WeakPolarHBondContact OG1-CD1 3.48Å; T186-F189 WeakPolarHBondContact OG1-CE1 3.42Å; T186-F189 PolarHBondContact OG1-N 2.75Å; T186-F189 VanDerWaalsContact OG1-N 3.08Å; T186-F189 PolarHBondContact OG1-O 3.13Å; T186-F189 VanDerWaalsContact OG1-O 3.13Å
187G84.3Confident95.1Very high86 Ų8657.7 Ų57.789%0.88730%0.304SS*.SBendtrans-72.7-27.617500000113.6
188D89.8Confident95Very high82 Ų8254.6 Ų54.644%0.43931%0.307SS..SBendtrans-117.1-23.6-168.661.1-33.4000114T186 K208T186-D188 VanDerWaalsContact C-N 3.35Å; T186-D188 WeakPolarHBondContact CB-OD1 3.46Å; T186-D188 PolarHBondContact OG1-N 3.24Å; T186-D188 PolarHBondContact OG1-OD1 2.91Å; D188-K208 PolarHBondContact O-N 3.25Å
189F94Very high94.8Very high71 Ų7155.5 Ų55.531%0.31132%0.315SS..EExtended strand (participates in β ladder)trans-140.3161.2176.976.6-91.4000113.4Y184 T186 Y206 Q207Y184-F189 AromaticContact CD1-CE2 3.96Å; Y184-F189 HydrophobicContact CD1-CE2 3.96Å; Y184-F189 HydrophobicContact CD1-CZ 4.02Å; Y184-F189 HydrophobicContact CE1-CE2 4.41Å; Y184-F189 AromaticContact CE1-CZ 4Å; Y184-F189 HydrophobicContact CE1-CZ 4Å; T186-F189 HydrophobicContact CG2-CD1 4.19Å; T186-F189 HydrophobicContact CG2-CE1 3.56Å; T186-F189 HydrophobicContact CG2-CE2 4.36Å; T186-F189 HydrophobicContact CG2-CZ 3.66Å; T186-F189 PolarHBondContact N-O 3.41Å; T186-F189 WeakPolarHBondContact OG1-CD1 3.48Å; T186-F189 WeakPolarHBondContact OG1-CE1 3.42Å; T186-F189 PolarHBondContact OG1-N 2.75Å; T186-F189 VanDerWaalsContact OG1-N 3.08Å; T186-F189 PolarHBondContact OG1-O 3.13Å; T186-F189 VanDerWaalsContact OG1-O 3.13Å; F189-Y206 CarbonylContact C-O 3.55Å; F189-Y206 WeakPolarHBondContact CA-O 3.4Å; F189-Y206 WeakPolarHBondContact CB-O 3.34Å; F189-Q207 HydrophobicContact CB-CB 4.36Å; F189-Q207 HydrophobicContact CB-CG 4.39Å
190Q95.5Very high94.7Very high47 Ų4759.1 Ų59.122%0.2233%0.332CS..EExtended strand (participates in β ladder)trans-136.5124.2174.3-63.9176.636.900109.4Y184 R185 I205 Y206Y184-Q190 CarbonylContact O-C 3.56Å; Y184-Q190 WeakPolarHBondContact O-CA 3.26Å; R185-Q190 HydrophobicContact CB-CG 4.14Å; R185-Q190 HydrophobicContact CG-CG 3.86Å; Q190-I205 CarbonylContact O-C 3.57Å; Q190-I205 WeakPolarHBondContact O-CA 3.25Å; Q190-Y206 HydrophobicContact CB-CD1 4.25Å; Q190-Y206 HydrophobicContact CG-CD1 4.14Å; Q190-Y206 PolarHBondContact N-O 3.35Å; Q190-Y206 PolarHBondContact O-N 3.32Å
191L96.8Very high94.6Very high73 Ų7357.8 Ų57.838%0.38233%0.326SS..EExtended strand (participates in β ladder)trans-99.4135.5167.5-177.570.2000108.2G183 Y184 I205G183-L191 CarbonylContact C-O 3.56Å; G183-L191 WeakPolarHBondContact CA-O 3.3Å; Y184-L191 PolarHBondContact N-O 2.78Å; Y184-L191 PolarHBondContact O-N 2.77Å; L191-I205 HydrophobicContact CD1-CD1 4.37Å; L191-I205 HydrophobicContact CD1-CG1 3.73Å
192H97.2Very high94.5Very high26 Ų2658.3 Ų58.312%0.1233%0.331CS..EExtended strand (participates in β ladder)trans-140.3127.6172.9170.566.8000109.7L21 G203 S204L21-H192 VanDerWaalsContact CB-CE1 3.46Å; L21-H192 WeakPolarHBondContact CB-CE1 3.24Å; H192-G203 CarbonylContact O-C 3.56Å; H192-G203 WeakPolarHBondContact O-CA 3.43Å; H192-S204 PolarHBondContact N-O 2.89Å; H192-S204 PolarHBondContact O-N 3.09Å; H192-S204 PolarHBondContact O-OG 2.79Å
193T97.7Very high94.5Very high57 Ų5755.8 Ų55.835%0.3532%0.32SS..EExtended strand (participates in β ladder)trans-126145.8175.559.70000109A181 V182 G202A181-T193 CarbonylContact C-O 3.55Å; A181-T193 VanDerWaalsContact CA-O 3.26Å; A181-T193 WeakPolarHBondContact CA-O 3.43Å; V182-T193 PolarHBondContact N-O 2.82Å; V182-T193 PolarHBondContact O-N 2.78Å; V182-T193 VanDerWaalsContact O-O 3.07Å; V182-T193 PolarHBondContact O-OG1 2.86Å; T193-G202 CarbonylContact C-O 3.47Å; T193-G202 VanDerWaalsContact CA-O 3.25Å; T193-G202 WeakPolarHBondContact CA-O 3.48Å
194N97.2Very high94.6Very high33 Ų3356 Ų5618%0.17632%0.321CS..EExtended strand (participates in β ladder)trans-146.7154.1179.269.8-60.7000111.7F180 A181 N196 F201 G202F180-N194 CarbonylContact O-C 3.6Å; F180-N194 WeakPolarHBondContact O-CA 3.31Å; F180-N194 WeakPolarHBondContact O-CB 3.1Å; A181-N194 HydrophobicContact CB-CB 4.18Å; N194-N196 PolarHBondContact ND2-ND2 3.26Å; N194-N196 PolarHBondContact ND2-OD1 2.86Å; N194-F201 WeakPolarHBondContact O-CA 3.47Å; N194-G202 PolarHBondContact N-O 3.17Å; N194-G202 PolarHBondContact O-N 3.44Å; N194-G202 VanDerWaalsContact OD1-CA 3.23Å; N194-G202 WeakPolarHBondContact OD1-CA 3.11Å; N194-G202 PolarHBondContact OD1-O 2.78Å
195V97.1Very high94.6Very high43 Ų4357 Ų5726%0.26133%0.329SS..EExtended strand (participates in β ladder)trans-127.9116.2171.9-175.70000107N179 F180 E200 F201N179-V195 CarbonylContact C-O 3.54Å; N179-V195 VanDerWaalsContact CA-O 3.31Å; N179-V195 WeakPolarHBondContact CA-O 3.38Å; F180-V195 PolarHBondContact N-O 2.77Å; F180-V195 PolarHBondContact O-N 2.88Å; V195-E200 CarbonylContact C-O 3.53Å; V195-E200 VanDerWaalsContact CA-O 3.28Å; V195-E200 WeakPolarHBondContact CA-O 3.25Å; V195-F201 HydrophobicContact CB-CD1 4.46Å; V195-F201 HydrophobicContact CB-CE1 4.48Å; V195-F201 HydrophobicContact CG1-CD1 4.08Å; V195-F201 HydrophobicContact CG1-CE1 3.74Å; V195-F201 HydrophobicContact CG1-CZ 4.07Å; V195-F201 HydrophobicContact CG2-CD1 3.73Å; V195-F201 HydrophobicContact CG2-CE1 3.91Å
196N95.9Very high94.9Very high31 Ų3152.4 Ų52.417%0.16631%0.312CS..EExtended strand (participates in β ladder)trans-102.6125.1175.5-49.7-32.2000109.8N179 N194 G198 T199 E200N179-N196 WeakPolarHBondContact OD1-CA 3.36Å; N179-N196 WeakPolarHBondContact OD1-CB 3.22Å; N194-N196 PolarHBondContact ND2-ND2 3.26Å; N194-N196 PolarHBondContact ND2-OD1 2.86Å; N196-G198 PolarHBondContact O-N 3.08Å; N196-T199 PolarHBondContact O-N 3.27Å; N196-E200 HydrophobicContact CB-CB 4.11Å; N196-E200 PolarHBondContact N-O 3.18Å; N196-E200 PolarHBondContact ND2-OE2 3.43Å; N196-E200 PolarHBondContact O-N 2.75Å
197D94.6Very high95.3Very high83 Ų8355 Ų5544%0.44432%0.322SS..THydrogen-bonded Turntrans53.120.1175.5-58.9-45.4000114.7R177 N178 N179 T199R177-D197 VanDerWaalsContact CA-OD1 3.27Å; R177-D197 WeakPolarHBondContact CA-OD1 3.26Å; N178-D197 PolarHBondContact N-OD1 2.86Å; N178-D197 WeakPolarHBondContact O-CA 3.42Å; N178-D197 PolarHBondContact O-N 2.91Å; N179-D197 PolarHBondContact OD1-N 2.8Å; D197-T199 PolarHBondContact O-N 2.79Å
198G91.9Very high95.8Very high48 Ų4855.2 Ų55.250%0.49530%0.298SS..THydrogen-bonded Turntrans68.92.9-173.800000114.8N196 F201N196-G198 PolarHBondContact O-N 3.08Å; G198-F201 WeakPolarHBondContact O-CE2 3.44Å; G198-F201 WeakPolarHBondContact O-CZ 3.4Å
199T93.4Very high96.1Very high65 Ų6555 Ų5540%0.39930%0.3SS..THydrogen-bonded Turntrans-115.9-28.6-174.754.50000113.7N196 D197 T222 S223N196-T199 PolarHBondContact O-N 3.27Å; D197-T199 PolarHBondContact O-N 2.79Å; T199-T222 CarbonylContact O-C 3.5Å; T199-T222 WeakPolarHBondContact O-CA 3.45Å; T199-S223 WeakPolarHBondContact O-CB 3.48Å; T199-S223 PolarHBondContact O-N 2.9Å
200E95Very high96Very high84 Ų8454.5 Ų54.539%0.39331%0.305SS..EExtended strand (participates in β ladder)trans-111125.2177.2-53.3-174.6151.900110.5V195 N196 T222V195-E200 CarbonylContact C-O 3.53Å; V195-E200 VanDerWaalsContact CA-O 3.28Å; V195-E200 WeakPolarHBondContact CA-O 3.25Å; N196-E200 HydrophobicContact CB-CB 4.11Å; N196-E200 PolarHBondContact N-O 3.18Å; N196-E200 PolarHBondContact ND2-OE2 3.43Å; N196-E200 PolarHBondContact O-N 2.75Å; E200-T222 HydrophobicContact CG-CG2 4.29Å
201F96.6Very high95.9Very high82 Ų8260.2 Ų60.236%0.3633%0.332SS..EExtended strand (participates in β ladder)trans-114.6125.7-179.4-61.6-101.2000107.6N194 V195 G198 A220 W221N194-F201 WeakPolarHBondContact O-CA 3.47Å; V195-F201 HydrophobicContact CB-CD1 4.46Å; V195-F201 HydrophobicContact CB-CE1 4.48Å; V195-F201 HydrophobicContact CG1-CD1 4.08Å; V195-F201 HydrophobicContact CG1-CE1 3.74Å; V195-F201 HydrophobicContact CG1-CZ 4.07Å; V195-F201 HydrophobicContact CG2-CD1 3.73Å; V195-F201 HydrophobicContact CG2-CE1 3.91Å; G198-F201 WeakPolarHBondContact O-CE2 3.44Å; G198-F201 WeakPolarHBondContact O-CZ 3.4Å; F201-A220 CarbonylContact O-C 3.52Å; F201-A220 VanDerWaalsContact O-CA 3.25Å; F201-A220 WeakPolarHBondContact O-CA 3.46Å; F201-W221 HydrophobicContact CB-CE3 4.12Å; F201-W221 AromaticContact CD2-CE3 3.32Å; F201-W221 HydrophobicContact CD2-CE3 3.32Å; F201-W221 AromaticContact CD2-CZ3 3.35Å; F201-W221 HydrophobicContact CD2-CZ3 3.35Å; F201-W221 AromaticContact CE2-CE3 3.98Å; F201-W221 HydrophobicContact CE2-CE3 3.98Å; F201-W221 AromaticContact CE2-CZ3 3.49Å; F201-W221 HydrophobicContact CE2-CZ3 3.49Å; F201-W221 VanDerWaalsContact CE2-CZ3 3.49Å; F201-W221 AromaticContact CG-CE3 3.92Å; F201-W221 HydrophobicContact CG-CE3 3.92Å; F201-W221 HydrophobicContact CG-CZ3 4.19Å; F201-W221 HydrophobicContact CZ-CZ3 4.4Å; F201-W221 PolarHBondContact N-O 3.4Å; F201-W221 PolarHBondContact O-N 2.85Å
202G96.6Very high95.8Very high15 Ų1560.4 Ų60.416%0.15533%0.333CS..EExtended strand (participates in β ladder)trans-126.9149.3-178.800000111.8T193 N194 L219T193-G202 CarbonylContact C-O 3.47Å; T193-G202 VanDerWaalsContact CA-O 3.25Å; T193-G202 WeakPolarHBondContact CA-O 3.48Å; N194-G202 PolarHBondContact N-O 3.17Å; N194-G202 PolarHBondContact O-N 3.44Å; N194-G202 VanDerWaalsContact OD1-CA 3.23Å; N194-G202 WeakPolarHBondContact OD1-CA 3.11Å; N194-G202 PolarHBondContact OD1-O 2.78Å; G202-L219 CarbonylContact C-O 3.55Å; G202-L219 WeakPolarHBondContact CA-O 3.29Å
203G97.1Very high95.8Very high20 Ų2061.3 Ų61.321%0.20634%0.338CS..EExtended strand (participates in β ladder)trans-147.5131.5176.300000109.4H192 N218 L219H192-G203 CarbonylContact O-C 3.56Å; H192-G203 WeakPolarHBondContact O-CA 3.43Å; G203-N218 PolarHBondContact O-OD1 3.49Å; G203-L219 PolarHBondContact N-O 2.82Å; G203-L219 PolarHBondContact O-N 3.49Å; G203-L219 VanDerWaalsContact O-O 3.04Å
204S97.4Very high95.8Very high8 Ų860 Ų606%0.05633%0.329CS..EExtended strand (participates in β ladder)trans-139.1144.2177.659.60000110.7H192 V217H192-S204 PolarHBondContact N-O 2.89Å; H192-S204 PolarHBondContact O-N 3.09Å; H192-S204 PolarHBondContact O-OG 2.79Å; S204-V217 CarbonylContact C-O 3.57Å; S204-V217 VanDerWaalsContact CA-O 3.24Å; S204-V217 WeakPolarHBondContact CA-O 3.44Å
205I97.5Very high95.8Very high76 Ų7660.1 Ų60.139%0.3933%0.331SS..EExtended strand (participates in β ladder)trans-122.6131.5175.5-59.3171.2000106.3Q190 L191 S216 V217Q190-I205 CarbonylContact O-C 3.57Å; Q190-I205 WeakPolarHBondContact O-CA 3.25Å; L191-I205 HydrophobicContact CD1-CD1 4.37Å; L191-I205 HydrophobicContact CD1-CG1 3.73Å; I205-S216 CarbonylContact O-C 3.52Å; I205-S216 WeakPolarHBondContact O-CA 3.22Å; I205-S216 WeakPolarHBondContact O-CB 3.36Å; I205-S216 PolarHBondContact O-OG 3.22Å; I205-V217 PolarHBondContact N-O 2.91Å; I205-V217 PolarHBondContact O-N 2.81Å
206Y97.7Very high95.9Very high38 Ų3858.1 Ų58.115%0.14932%0.319CS..EExtended strand (participates in β ladder)trans-115.1136.8163.7161.7-93000107.7A24 I28 F189 Q190 K208 D214 T215A24-Y206 HydrophobicContact CB-CD1 3.89Å; A24-Y206 HydrophobicContact CB-CD2 4.08Å; A24-Y206 HydrophobicContact CB-CE1 4.36Å; A24-Y206 HydrophobicContact CB-CG 3.73Å; I28-Y206 HydrophobicContact CD1-CD2 4.49Å; I28-Y206 HydrophobicContact CD1-CE2 4.15Å; I28-Y206 HydrophobicContact CG1-CD2 3.87Å; I28-Y206 HydrophobicContact CG1-CE2 4.03Å; F189-Y206 CarbonylContact C-O 3.55Å; F189-Y206 WeakPolarHBondContact CA-O 3.4Å; F189-Y206 WeakPolarHBondContact CB-O 3.34Å; Q190-Y206 HydrophobicContact CB-CD1 4.25Å; Q190-Y206 HydrophobicContact CG-CD1 4.14Å; Q190-Y206 PolarHBondContact N-O 3.35Å; Q190-Y206 PolarHBondContact O-N 3.32Å; Y206-K208 HydrophobicContact CE1-CB 4.5Å; Y206-D214 HydrophobicContact CE2-CB 3.98Å; Y206-D214 WeakPolarHBondContact CE2-OD1 3.3Å; Y206-D214 VanDerWaalsContact CZ-OD1 3.29Å; Y206-D214 PolarHBondContact OH-OD1 3.38Å; Y206-T215 WeakPolarHBondContact CA-O 3.39Å
207Q97.3Very high96Very high88 Ų8859.1 Ų59.141%0.41133%0.326SS..EExtended strand (participates in β ladder)trans-141.6124.6177.2-177.5-179.910.400109.6F189 V209 T215F189-Q207 HydrophobicContact CB-CB 4.36Å; F189-Q207 HydrophobicContact CB-CG 4.39Å; Q207-V209 HydrophobicContact CG-CG2 4.18Å; Q207-V209 PolarHBondContact O-N 2.91Å; Q207-T215 PolarHBondContact N-O 2.83Å; Q207-T215 PolarHBondContact O-N 3.46Å; Q207-T215 PolarHBondContact O-OG1 2.84Å
208K96.2Very high96.1Very high89 Ų8958.2 Ų58.239%0.38732%0.321SS..EExtended strand (participates in β ladder)trans-82.899.6165.6-172.9173.7-174.5-174.60107.8D188 Y206 C210D188-K208 PolarHBondContact O-N 3.25Å; Y206-K208 HydrophobicContact CE1-CB 4.5Å; K208-C210 VanDerWaalsContact CE-O 3.3Å; K208-C210 WeakPolarHBondContact CE-O 3.46Å; K208-C210 VanDerWaalsContact CG-O 3.22Å; K208-C210 WeakPolarHBondContact CG-O 3.36Å
209V94.9Very high96.3Very high78 Ų7860.1 Ų60.147%0.47332%0.32SS..  trans-73.9-41-174.3-179.70000110.6Q207 L213 T215Q207-V209 HydrophobicContact CG-CG2 4.18Å; Q207-V209 PolarHBondContact O-N 2.91Å; V209-L213 HydrophobicContact CB-CB 4.4Å; V209-L213 HydrophobicContact CB-CD2 4.15Å; V209-L213 HydrophobicContact CB-CG 4.24Å; V209-L213 HydrophobicContact CG1-CD2 4.27Å; V209-L213 HydrophobicContact CG2-CD2 4.47Å; V209-L213 PolarHBondContact N-O 2.9Å; V209-T215 HydrophobicContact CG2-CG2 3.71Å
210C92.9Very high96.4Very high61 Ų6158.2 Ų58.241%0.41231%0.31SS..SBendtrans-148.4-174.3170.666.70000109.9K208 D212 L213K208-C210 VanDerWaalsContact CE-O 3.3Å; K208-C210 WeakPolarHBondContact CE-O 3.46Å; K208-C210 VanDerWaalsContact CG-O 3.22Å; K208-C210 WeakPolarHBondContact CG-O 3.36Å; C210-D212 PolarHBondContact O-N 3.38Å; C210-L213 PolarHBondContact N-O 3.33Å; C210-L213 PolarHBondContact O-N 2.91Å; C210-L213 VanDerWaalsContact SG-CB 3.51Å; C210-L213 PolarHBondContact SG-N 2.85Å; C210-L213 VanDerWaalsContact SG-N 3.4Å
211E92.5Very high96.4Very high167 Ų16758.4 Ų58.478%0.7831%0.308SS*.SBendtrans-58.9-32.9179.6-66.7-168.1160.700113.1
212D95.9Very high96.3Very high76 Ų7655.5 Ų55.541%0.40630%0.296SS..SBendtrans-102.5-12.4-174.4-58.2-46.7000114.1C210 Y236 Q237C210-D212 PolarHBondContact O-N 3.38Å; D212-Y236 HydrophobicContact CB-CD2 4.49Å; D212-Y236 HydrophobicContact CB-CE2 4.07Å; D212-Y236 CarbonylContact O-C 3.48Å; D212-Y236 VanDerWaalsContact O-CA 3.29Å; D212-Y236 WeakPolarHBondContact O-CA 3.25Å; D212-Q237 HydrophobicContact CB-CB 4.14Å; D212-Q237 PolarHBondContact O-N 2.77Å
213L97.1Very high95.9Very high46 Ų4657.3 Ų57.324%0.24131%0.307CS..EExtended strand (participates in β ladder)trans-123113.9-174.1-177.562.1000112.3V209 C210 T215 A234 Y236V209-L213 HydrophobicContact CB-CB 4.4Å; V209-L213 HydrophobicContact CB-CD2 4.15Å; V209-L213 HydrophobicContact CB-CG 4.24Å; V209-L213 HydrophobicContact CG1-CD2 4.27Å; V209-L213 HydrophobicContact CG2-CD2 4.47Å; V209-L213 PolarHBondContact N-O 2.9Å; C210-L213 PolarHBondContact N-O 3.33Å; C210-L213 PolarHBondContact O-N 2.91Å; C210-L213 VanDerWaalsContact SG-CB 3.51Å; C210-L213 PolarHBondContact SG-N 2.85Å; C210-L213 VanDerWaalsContact SG-N 3.4Å; L213-T215 HydrophobicContact CD1-CG2 4.3Å; L213-T215 HydrophobicContact CD2-CG2 4.46Å; L213-T215 HydrophobicContact CG-CG2 4.15Å; L213-A234 HydrophobicContact CD1-CB 4.35Å; L213-Y236 HydrophobicContact CB-CD2 4.06Å; L213-Y236 HydrophobicContact CD1-CD2 4.04Å
214D97.2Very high95.5Very high30 Ų3059.8 Ų59.816%0.1633%0.332CS..EExtended strand (participates in β ladder)trans-103.3139.1167.5-68-65000110.2I28 Y206 A234 K235I28-D214 HydrophobicContact CD1-CB 3.73Å; I28-D214 HydrophobicContact CG1-CB 4.44Å; Y206-D214 HydrophobicContact CE2-CB 3.98Å; Y206-D214 WeakPolarHBondContact CE2-OD1 3.3Å; Y206-D214 VanDerWaalsContact CZ-OD1 3.29Å; Y206-D214 PolarHBondContact OH-OD1 3.38Å; D214-A234 CarbonylContact O-C 3.54Å; D214-A234 VanDerWaalsContact O-CA 3.27Å; D214-A234 WeakPolarHBondContact O-CA 3.24Å; D214-K235 HydrophobicContact CB-CB 4.44Å; D214-K235 PolarHBondContact N-O 2.83Å; D214-K235 PolarHBondContact O-N 2.9Å
215T97.8Very high95Very high34 Ų3464 Ų6421%0.20936%0.358CS..EExtended strand (participates in β ladder)trans-129.5153.2176.562.70000110.8Y206 Q207 V209 L213 A233 A234Y206-T215 WeakPolarHBondContact CA-O 3.39Å; Q207-T215 PolarHBondContact N-O 2.83Å; Q207-T215 PolarHBondContact O-N 3.46Å; Q207-T215 PolarHBondContact O-OG1 2.84Å; V209-T215 HydrophobicContact CG2-CG2 3.71Å; L213-T215 HydrophobicContact CD1-CG2 4.3Å; L213-T215 HydrophobicContact CD2-CG2 4.46Å; L213-T215 HydrophobicContact CG-CG2 4.15Å; T215-A233 CarbonylContact C-O 3.57Å; T215-A233 WeakPolarHBondContact CA-O 3.45Å; T215-A234 HydrophobicContact CG2-CB 4.29Å
216S97.7Very high94.3Very high2 Ų266.1 Ų66.11%0.01437%0.37CS..EExtended strand (participates in β ladder)trans-147.3141.3174.5-172.50000112.1A25 F29 I205 I232 A233A25-S216 VanDerWaalsContact CA-OG 3.26Å; A25-S216 WeakPolarHBondContact CA-OG 3.13Å; A25-S216 WeakPolarHBondContact CB-OG 3.27Å; A25-S216 PolarHBondContact O-OG 2.77Å; F29-S216 WeakPolarHBondContact CE2-OG 3.28Å; I205-S216 CarbonylContact O-C 3.52Å; I205-S216 WeakPolarHBondContact O-CA 3.22Å; I205-S216 WeakPolarHBondContact O-CB 3.36Å; I205-S216 PolarHBondContact O-OG 3.22Å; S216-I232 CarbonylContact O-C 3.48Å; S216-I232 WeakPolarHBondContact O-CA 3.42Å; S216-A233 PolarHBondContact N-O 2.9Å; S216-A233 PolarHBondContact O-N 2.88Å
217V97.9Very high93.8Very high51 Ų5166.6 Ų66.631%0.30938%0.378SS..EExtended strand (participates in β ladder)trans-118.8138.4171.7-177.90000107.8S204 I205 F230 G231 I232S204-V217 CarbonylContact C-O 3.57Å; S204-V217 VanDerWaalsContact CA-O 3.24Å; S204-V217 WeakPolarHBondContact CA-O 3.44Å; I205-V217 PolarHBondContact N-O 2.91Å; I205-V217 PolarHBondContact O-N 2.81Å; V217-F230 HydrophobicContact CG1-CD2 4.4Å; V217-F230 HydrophobicContact CG1-CE2 3.55Å; V217-F230 HydrophobicContact CG1-CZ 4.06Å; V217-G231 WeakPolarHBondContact CA-O 3.19Å; V217-I232 HydrophobicContact CG2-CG1 4.43Å
218N96.8Very high93.6Very high64 Ų6465.8 Ų65.834%0.34238%0.379SS..EExtended strand (participates in β ladder)trans-130.6133175.1-169.539.6000110.2F29 G203 F230 G231F29-N218 HydrophobicContact CD2-CB 4.44Å; F29-N218 HydrophobicContact CE2-CB 3.78Å; F29-N218 HydrophobicContact CZ-CB 3.95Å; G203-N218 PolarHBondContact O-OD1 3.49Å; N218-F230 CarbonylContact O-C 3.6Å; N218-F230 WeakPolarHBondContact O-CA 3.44Å; N218-G231 PolarHBondContact N-O 3.1Å; N218-G231 PolarHBondContact O-N 3.25Å
219L96.5Very high93.5Very high89 Ų8967.5 Ų67.547%0.46638%0.384SS..EExtended strand (participates in β ladder)trans-130.5130176.8-175.174.1000108G202 G203 T228 R229 F230G202-L219 CarbonylContact C-O 3.55Å; G202-L219 WeakPolarHBondContact CA-O 3.29Å; G203-L219 PolarHBondContact N-O 2.82Å; G203-L219 PolarHBondContact O-N 3.49Å; G203-L219 VanDerWaalsContact O-O 3.04Å; L219-T228 HydrophobicContact CD1-CG2 4.06Å; L219-R229 CarbonylContact C-O 3.57Å; L219-R229 WeakPolarHBondContact CA-O 3.39Å; L219-F230 HydrophobicContact CD1-CB 4.12Å; L219-F230 HydrophobicContact CD1-CD2 3.88Å; L219-F230 HydrophobicContact CD1-CG 4.49Å
220A95.6Very high93.6Very high24 Ų2467.8 Ų67.820%0.19838%0.378CS..EExtended strand (participates in β ladder)trans-138.6145.217200000110.2F201 T228 R229F201-A220 CarbonylContact O-C 3.52Å; F201-A220 VanDerWaalsContact O-CA 3.25Å; F201-A220 WeakPolarHBondContact O-CA 3.46Å; A220-T228 CarbonylContact O-C 3.49Å; A220-T228 WeakPolarHBondContact O-CA 3.28Å; A220-R229 HydrophobicContact CB-CB 4.39Å; A220-R229 PolarHBondContact N-O 2.89Å; A220-R229 PolarHBondContact O-N 2.81Å
221W95.1Very high93.8Very high89 Ų8965.1 Ų65.134%0.33736%0.361SS..EExtended strand (participates in β ladder)trans-136.6134.8178.3173.577.1000109.9F201 S223 C227F201-W221 HydrophobicContact CB-CE3 4.12Å; F201-W221 AromaticContact CD2-CE3 3.32Å; F201-W221 HydrophobicContact CD2-CE3 3.32Å; F201-W221 AromaticContact CD2-CZ3 3.35Å; F201-W221 HydrophobicContact CD2-CZ3 3.35Å; F201-W221 AromaticContact CE2-CE3 3.98Å; F201-W221 HydrophobicContact CE2-CE3 3.98Å; F201-W221 AromaticContact CE2-CZ3 3.49Å; F201-W221 HydrophobicContact CE2-CZ3 3.49Å; F201-W221 VanDerWaalsContact CE2-CZ3 3.49Å; F201-W221 AromaticContact CG-CE3 3.92Å; F201-W221 HydrophobicContact CG-CE3 3.92Å; F201-W221 HydrophobicContact CG-CZ3 4.19Å; F201-W221 HydrophobicContact CZ-CZ3 4.4Å; F201-W221 PolarHBondContact N-O 3.4Å; F201-W221 PolarHBondContact O-N 2.85Å; W221-S223 VanDerWaalsContact CH2-CB 3.49Å; W221-C227 WeakPolarHBondContact CA-O 3.41Å
222T94.1Very high94Very high20 Ų2060.8 Ų60.812%0.12334%0.343CS..EExtended strand (participates in β ladder)trans-110.5115.9177-56.70000110T199 E200 T225 N226 C227 R229T199-T222 CarbonylContact O-C 3.5Å; T199-T222 WeakPolarHBondContact O-CA 3.45Å; E200-T222 HydrophobicContact CG-CG2 4.29Å; T222-T225 PolarHBondContact O-OG1 3.16Å; T222-N226 PolarHBondContact O-N 2.93Å; T222-N226 VanDerWaalsContact O-N 3.13Å; T222-C227 PolarHBondContact N-O 2.72Å; T222-C227 VanDerWaalsContact N-O 3.09Å; T222-R229 PolarHBondContact OG1-NH1 3.02Å
223S89.3Confident94.2Very high53 Ų5357.2 Ų57.237%0.37132%0.324SS..THydrogen-bonded Turntrans-58.6142.4172.6-170.10000111T199 W221 T225T199-S223 WeakPolarHBondContact O-CB 3.48Å; T199-S223 PolarHBondContact O-N 2.9Å; W221-S223 VanDerWaalsContact CH2-CB 3.49Å; S223-T225 VanDerWaalsContact C-N 3.28Å; S223-T225 PolarHBondContact O-N 3.43Å
224G87.5Confident94.2Very high72 Ų7256.6 Ų56.674%0.74233%0.325SS*.THydrogen-bonded Turntrans86.4-34.6-178.400000115
225T88.3Confident94.3Very high98 Ų9858.4 Ų58.460%0.60133%0.332SS*.THydrogen-bonded Turntrans-98.8-14.6173.4600000113.2T222 S223 C227T222-T225 PolarHBondContact O-OG1 3.16Å; S223-T225 VanDerWaalsContact C-N 3.28Å; S223-T225 PolarHBondContact O-N 3.43Å; T225-C227 PolarHBondContact O-N 2.79Å; T225-C227 VanDerWaalsContact O-N 3.1Å; T225-C227 WeakPolarHBondContact OG1-CB 3.44Å; T225-C227 PolarHBondContact OG1-N 2.73Å
226N82.6Confident94.3Very high119 Ų11961.8 Ų61.864%0.63634%0.342SS*.THydrogen-bonded Turntrans52.724.7-170.2-64.3-41.6000113.2T222 T228T222-N226 PolarHBondContact O-N 2.93Å; T222-N226 VanDerWaalsContact O-N 3.13Å; N226-T228 PolarHBondContact O-N 3.25Å
227C86.8Confident94.2Very high48 Ų4864.1 Ų64.132%0.32435%0.352SS..EExtended strand (participates in β ladder)trans-76111.4179.3-173.10000109.4W221 T222 T225W221-C227 WeakPolarHBondContact CA-O 3.41Å; T222-C227 PolarHBondContact N-O 2.72Å; T222-C227 VanDerWaalsContact N-O 3.09Å; T225-C227 PolarHBondContact O-N 2.79Å; T225-C227 VanDerWaalsContact O-N 3.1Å; T225-C227 WeakPolarHBondContact OG1-CB 3.44Å; T225-C227 PolarHBondContact OG1-N 2.73Å
228T93.6Very high94.1Very high71 Ų7165.7 Ų65.744%0.43636%0.358SS..EExtended strand (participates in β ladder)trans-99.8129.8173.2-57.40000110L219 A220 N226 N250L219-T228 HydrophobicContact CD1-CG2 4.06Å; A220-T228 CarbonylContact O-C 3.49Å; A220-T228 WeakPolarHBondContact O-CA 3.28Å; N226-T228 PolarHBondContact O-N 3.25Å; T228-N250 PolarHBondContact O-ND2 2.92Å
229R93.3Very high94.1Very high126 Ų12665.8 Ų65.848%0.47536%0.359SS..EExtended strand (participates in β ladder)trans-116.2122.7174.2-58.3179.1-17394.9-0.6107.8L219 A220 T222L219-R229 CarbonylContact C-O 3.57Å; L219-R229 WeakPolarHBondContact CA-O 3.39Å; A220-R229 HydrophobicContact CB-CB 4.39Å; A220-R229 PolarHBondContact N-O 2.89Å; A220-R229 PolarHBondContact O-N 2.81Å; T222-R229 PolarHBondContact OG1-NH1 3.02Å
230F96.4Very high93.9Very high83 Ų8367.8 Ų67.836%0.36438%0.377SS..EExtended strand (participates in β ladder)trans-128.6138.2176.8175-97.9000109V217 N218 L219 I232 N249 N250V217-F230 HydrophobicContact CG1-CD2 4.4Å; V217-F230 HydrophobicContact CG1-CE2 3.55Å; V217-F230 HydrophobicContact CG1-CZ 4.06Å; N218-F230 CarbonylContact O-C 3.6Å; N218-F230 WeakPolarHBondContact O-CA 3.44Å; L219-F230 HydrophobicContact CD1-CB 4.12Å; L219-F230 HydrophobicContact CD1-CD2 3.88Å; L219-F230 HydrophobicContact CD1-CG 4.49Å; F230-I232 HydrophobicContact CE1-CD1 3.8Å; F230-I232 HydrophobicContact CE1-CG1 3.66Å; F230-I232 HydrophobicContact CZ-CD1 3.79Å; F230-I232 HydrophobicContact CZ-CG1 3.61Å; F230-N249 CarbonylContact O-C 3.49Å; F230-N249 WeakPolarHBondContact O-CA 3.36Å; F230-N249 VanDerWaalsContact O-CB 3.3Å; F230-N249 WeakPolarHBondContact O-CB 3.27Å; F230-N250 HydrophobicContact CB-CB 4.21Å; F230-N250 PolarHBondContact N-OD1 3.44Å; F230-N250 PolarHBondContact O-N 2.92Å; F230-N250 PolarHBondContact O-OD1 2.85Å
231G97.6Very high94Very high5 Ų569.5 Ų69.55%0.05239%0.385CS..EExtended strand (participates in β ladder)trans-149.5153.8174.700000112.6F29 V217 N218 V248F29-G231 VanDerWaalsContact CZ-C 3.49Å; F29-G231 WeakPolarHBondContact CZ-O 3.36Å; V217-G231 WeakPolarHBondContact CA-O 3.19Å; N218-G231 PolarHBondContact N-O 3.1Å; N218-G231 PolarHBondContact O-N 3.25Å; G231-V248 CarbonylContact C-O 3.51Å; G231-V248 WeakPolarHBondContact CA-O 3.36Å
232I98Very high94.1Very high76 Ų7665.3 Ų65.339%0.3937%0.369SS..EExtended strand (participates in β ladder)trans-125.3136.5172.4-55.5175000107S216 V217 F230 K247 V248S216-I232 CarbonylContact O-C 3.48Å; S216-I232 WeakPolarHBondContact O-CA 3.42Å; V217-I232 HydrophobicContact CG2-CG1 4.43Å; F230-I232 HydrophobicContact CE1-CD1 3.8Å; F230-I232 HydrophobicContact CE1-CG1 3.66Å; F230-I232 HydrophobicContact CZ-CD1 3.79Å; F230-I232 HydrophobicContact CZ-CG1 3.61Å; I232-K247 CarbonylContact O-C 3.52Å; I232-K247 VanDerWaalsContact O-CA 3.24Å; I232-K247 WeakPolarHBondContact O-CA 3.46Å; I232-V248 HydrophobicContact CB-CG1 4.29Å; I232-V248 PolarHBondContact N-O 2.78Å; I232-V248 PolarHBondContact O-N 3.29Å
233A98.3Very high94.3Very high2 Ų264.7 Ų64.72%0.01737%0.366CS..EExtended strand (participates in β ladder)trans-135.8151.1174.200000110.5I28 F29 T215 S216 A246 K247I28-A233 HydrophobicContact CG2-CB 3.76Å; F29-A233 HydrophobicContact CD1-CB 3.67Å; F29-A233 HydrophobicContact CD2-CB 3.92Å; F29-A233 HydrophobicContact CE1-CB 3.56Å; F29-A233 HydrophobicContact CE2-CB 3.83Å; F29-A233 HydrophobicContact CG-CB 3.84Å; F29-A233 HydrophobicContact CZ-CB 3.64Å; T215-A233 CarbonylContact C-O 3.57Å; T215-A233 WeakPolarHBondContact CA-O 3.45Å; S216-A233 PolarHBondContact N-O 2.9Å; S216-A233 PolarHBondContact O-N 2.88Å; A233-A246 CarbonylContact C-O 3.5Å; A233-A246 VanDerWaalsContact CA-O 3.24Å; A233-A246 WeakPolarHBondContact CA-O 3.42Å; A233-K247 HydrophobicContact CB-CB 3.68Å
234A98.2Very high94.7Very high32 Ų3265.5 Ų65.526%0.26437%0.366SS..EExtended strand (participates in β ladder)trans-141.1147.4175.900000109.7L213 D214 T215 S245 A246L213-A234 HydrophobicContact CD1-CB 4.35Å; D214-A234 CarbonylContact O-C 3.54Å; D214-A234 VanDerWaalsContact O-CA 3.27Å; D214-A234 WeakPolarHBondContact O-CA 3.24Å; T215-A234 HydrophobicContact CG2-CB 4.29Å; A234-S245 CarbonylContact O-C 3.54Å; A234-S245 WeakPolarHBondContact O-CA 3.38Å; A234-A246 PolarHBondContact N-O 3Å; A234-A246 PolarHBondContact O-N 3.31Å
235K98.1Very high95.2Very high69 Ų6962.2 Ų62.230%0.333%0.331SS..EExtended strand (participates in β ladder)trans-127.1123.2169.9-176.6-174.3177.2-1500108.1I28 D214 I244I28-K235 HydrophobicContact CD1-CB 4.2Å; D214-K235 HydrophobicContact CB-CB 4.44Å; D214-K235 PolarHBondContact N-O 2.83Å; D214-K235 PolarHBondContact O-N 2.9Å; K235-I244 CarbonylContact C-O 3.56Å; K235-I244 WeakPolarHBondContact CA-O 3.24Å
236Y97.9Very high95.7Very high105 Ų10559.4 Ų59.441%0.41232%0.318SS..EExtended strand (participates in β ladder)trans-114.3127.4178-173.1-104.2000110.2D212 L213 L238 S243 I244D212-Y236 HydrophobicContact CB-CD2 4.49Å; D212-Y236 HydrophobicContact CB-CE2 4.07Å; D212-Y236 CarbonylContact O-C 3.48Å; D212-Y236 VanDerWaalsContact O-CA 3.29Å; D212-Y236 WeakPolarHBondContact O-CA 3.25Å; L213-Y236 HydrophobicContact CB-CD2 4.06Å; L213-Y236 HydrophobicContact CD1-CD2 4.04Å; Y236-L238 HydrophobicContact CD1-CD2 3.9Å; Y236-L238 HydrophobicContact CD1-CG 4.24Å; Y236-L238 HydrophobicContact CE1-CD2 3.91Å; Y236-S243 CarbonylContact O-C 3.57Å; Y236-S243 VanDerWaalsContact O-CA 3.24Å; Y236-S243 WeakPolarHBondContact O-CA 3.41Å; Y236-S243 WeakPolarHBondContact O-CB 3.17Å; Y236-I244 PolarHBondContact N-O 3.09Å; Y236-I244 PolarHBondContact O-N 3.44Å
237Q97.3Very high96.4Very high50 Ų5055.9 Ų55.923%0.23430%0.297CS..EExtended strand (participates in β ladder)trans-85.2114.7171.9-162.469.534.100108D212 D239 A242D212-Q237 HydrophobicContact CB-CB 4.14Å; D212-Q237 PolarHBondContact O-N 2.77Å; Q237-D239 WeakPolarHBondContact CG-O 3.47Å; Q237-D239 PolarHBondContact NE2-O 2.84Å; Q237-A242 PolarHBondContact NE2-O 2.81Å
238L95.8Very high96.9Very high84 Ų8456.7 Ų56.744%0.4430%0.3SS..EExtended strand (participates in β ladder)trans-77.8-42.2179.3-72.1166.7000111.1Y236 A242 I244 Y258Y236-L238 HydrophobicContact CD1-CD2 3.9Å; Y236-L238 HydrophobicContact CD1-CG 4.24Å; Y236-L238 HydrophobicContact CE1-CD2 3.91Å; L238-A242 HydrophobicContact CB-CB 4.07Å; L238-A242 HydrophobicContact CD1-CB 4.19Å; L238-A242 PolarHBondContact N-O 2.91Å; L238-I244 HydrophobicContact CD1-CD1 3.7Å; L238-I244 HydrophobicContact CD1-CG1 3.71Å; L238-I244 HydrophobicContact CD2-CD1 4.02Å; L238-I244 HydrophobicContact CG-CD1 4.09Å; L238-I244 HydrophobicContact CG-CG1 4.17Å; L238-Y258 HydrophobicContact CD1-CD2 4.46Å; L238-Y258 HydrophobicContact CD1-CE2 3.94Å
239D94.9Very high97Very high67 Ų6755.9 Ų55.936%0.35829%0.293SS..EExtended strand (participates in β ladder)trans-157173.6178.56658.1000108.5Q237 T241 A242Q237-D239 WeakPolarHBondContact CG-O 3.47Å; Q237-D239 PolarHBondContact NE2-O 2.84Å; D239-T241 PolarHBondContact O-N 3.17Å; D239-T241 VanDerWaalsContact OD1-CA 3.28Å; D239-T241 WeakPolarHBondContact OD1-CA 3.5Å; D239-T241 WeakPolarHBondContact OD1-CB 3.18Å; D239-T241 PolarHBondContact OD1-N 2.83Å; D239-T241 PolarHBondContact OD1-OG1 2.91Å; D239-A242 PolarHBondContact N-O 3.03Å; D239-A242 PolarHBondContact O-N 3.3Å; D239-A242 VanDerWaalsContact O-N 3.16Å; D239-A242 VanDerWaalsContact O-O 3.07Å; D239-A242 WeakPolarHBondContact OD1-CB 3.29Å; D239-A242 PolarHBondContact OD1-N 2.9Å; D239-A242 VanDerWaalsContact OD2-CB 3.29Å; D239-A242 WeakPolarHBondContact OD2-CB 3.16Å
240P94.2Very high97Very high130 Ų13053.7 Ų53.784%0.84429%0.291SS*.THydrogen-bonded Turntrans-57.3-16.8-177.6-28.237.1000116.1
241T96Very high96.8Very high60 Ų6052.2 Ų52.237%0.36829%0.291SS..THydrogen-bonded Turntrans-109.6-17-178.5660000113.8D239 Q260 T261D239-T241 PolarHBondContact O-N 3.17Å; D239-T241 VanDerWaalsContact OD1-CA 3.28Å; D239-T241 WeakPolarHBondContact OD1-CA 3.5Å; D239-T241 WeakPolarHBondContact OD1-CB 3.18Å; D239-T241 PolarHBondContact OD1-N 2.83Å; D239-T241 PolarHBondContact OD1-OG1 2.91Å; T241-Q260 CarbonylContact O-C 3.57Å; T241-Q260 WeakPolarHBondContact O-CA 3.29Å; T241-Q260 PolarHBondContact OG1-NE2 2.89Å; T241-T261 PolarHBondContact O-N 2.8Å
242A97.5Very high96.6Very high1 Ų154.4 Ų54.41%0.00831%0.306CS..EExtended strand (participates in β ladder)trans-124.4136.6-170.800000113Q237 L238 D239 Y258 T259Q237-A242 PolarHBondContact NE2-O 2.81Å; L238-A242 HydrophobicContact CB-CB 4.07Å; L238-A242 HydrophobicContact CD1-CB 4.19Å; L238-A242 PolarHBondContact N-O 2.91Å; D239-A242 PolarHBondContact N-O 3.03Å; D239-A242 PolarHBondContact O-N 3.3Å; D239-A242 VanDerWaalsContact O-N 3.16Å; D239-A242 VanDerWaalsContact O-O 3.07Å; D239-A242 WeakPolarHBondContact OD1-CB 3.29Å; D239-A242 PolarHBondContact OD1-N 2.9Å; D239-A242 VanDerWaalsContact OD2-CB 3.29Å; D239-A242 WeakPolarHBondContact OD2-CB 3.16Å; A242-Y258 HydrophobicContact CB-CE2 4.35Å; A242-T259 CarbonylContact C-O 3.54Å; A242-T259 WeakPolarHBondContact CA-O 3.4Å
243S97.8Very high96.5Very high7 Ų753.3 Ų53.35%0.04930%0.3CS..EExtended strand (participates in β ladder)trans-141.1146.517260.50000112.9Y236 Y258 T259Y236-S243 CarbonylContact O-C 3.57Å; Y236-S243 VanDerWaalsContact O-CA 3.24Å; Y236-S243 WeakPolarHBondContact O-CA 3.41Å; Y236-S243 WeakPolarHBondContact O-CB 3.17Å; S243-Y258 WeakPolarHBondContact O-CA 3.35Å; S243-T259 PolarHBondContact N-O 2.85Å; S243-T259 PolarHBondContact O-N 3.34Å
244I98.1Very high96.4Very high71 Ų7156.9 Ų56.936%0.36432%0.318SS..EExtended strand (participates in β ladder)trans-107.1135.6171.8-66.5174.1000108.4K235 Y236 L238 G257 Y258K235-I244 CarbonylContact C-O 3.56Å; K235-I244 WeakPolarHBondContact CA-O 3.24Å; Y236-I244 PolarHBondContact N-O 3.09Å; Y236-I244 PolarHBondContact O-N 3.44Å; L238-I244 HydrophobicContact CD1-CD1 3.7Å; L238-I244 HydrophobicContact CD1-CG1 3.71Å; L238-I244 HydrophobicContact CD2-CD1 4.02Å; L238-I244 HydrophobicContact CG-CD1 4.09Å; L238-I244 HydrophobicContact CG-CG1 4.17Å; I244-G257 CarbonylContact C-O 3.57Å; I244-G257 WeakPolarHBondContact CA-O 3.32Å; I244-Y258 HydrophobicContact CG1-CD2 4.03Å
245S98.1Very high96.4Very high2 Ų255.4 Ų55.41%0.01431%0.306CS..EExtended strand (participates in β ladder)trans-119.3134.8170.6-55.70000108.9A234 V256 G257A234-S245 CarbonylContact O-C 3.54Å; A234-S245 WeakPolarHBondContact O-CA 3.38Å; S245-V256 CarbonylContact O-C 3.47Å; S245-V256 WeakPolarHBondContact O-CA 3.24Å; S245-G257 PolarHBondContact N-O 2.82Å; S245-G257 PolarHBondContact O-N 3.11Å
246A98.3Very high96.4Very high40 Ų4055.3 Ų55.333%0.33131%0.311SS..EExtended strand (participates in β ladder)trans-133.9144.2176.500000109.7A233 A234 G255A233-A246 CarbonylContact C-O 3.5Å; A233-A246 VanDerWaalsContact CA-O 3.24Å; A233-A246 WeakPolarHBondContact CA-O 3.42Å; A234-A246 PolarHBondContact N-O 3Å; A234-A246 PolarHBondContact O-N 3.31Å; A246-G255 CarbonylContact C-O 3.52Å; A246-G255 VanDerWaalsContact CA-O 3.28Å; A246-G255 WeakPolarHBondContact CA-O 3.41Å
247K97.9Very high96.4Very high44 Ų4450.5 Ų50.519%0.19129%0.293CS..EExtended strand (participates in β ladder)trans-146.7150173.164.8179.9172.9-176.70111.6F29 F33 I232 A233 I254 G255F29-K247 HydrophobicContact CD1-CB 4.32Å; F29-K247 HydrophobicContact CD1-CD 4.2Å; F29-K247 HydrophobicContact CE1-CB 4.46Å; F29-K247 WeakPolarHBondContact O-CD 3.41Å; F29-K247 PolarHBondContact O-NZ 2.82Å; F33-K247 HydrophobicContact CD2-CD 4.05Å; F33-K247 HydrophobicContact CE1-CD 4.46Å; F33-K247 HydrophobicContact CE1-CG 4.21Å; F33-K247 HydrophobicContact CE2-CD 3.74Å; F33-K247 HydrophobicContact CE2-CG 4.12Å; F33-K247 HydrophobicContact CZ-CB 4.21Å; F33-K247 HydrophobicContact CZ-CD 3.96Å; F33-K247 HydrophobicContact CZ-CG 3.81Å; I232-K247 CarbonylContact O-C 3.52Å; I232-K247 VanDerWaalsContact O-CA 3.24Å; I232-K247 WeakPolarHBondContact O-CA 3.46Å; A233-K247 HydrophobicContact CB-CB 3.68Å; K247-I254 CarbonylContact O-C 3.46Å; K247-I254 WeakPolarHBondContact O-CA 3.47Å; K247-G255 PolarHBondContact N-O 2.81Å; K247-G255 PolarHBondContact O-N 3.4Å
248V97.7Very high96.5Very high66 Ų6652.5 Ų52.540%0.430%0.3SS..EExtended strand (participates in β ladder)trans-140.1148.8175.4630000109.5G231 I232 L253 I254G231-V248 CarbonylContact C-O 3.51Å; G231-V248 WeakPolarHBondContact CA-O 3.36Å; I232-V248 HydrophobicContact CB-CG1 4.29Å; I232-V248 PolarHBondContact N-O 2.78Å; I232-V248 PolarHBondContact O-N 3.29Å; V248-L253 WeakPolarHBondContact CA-O 3.26Å; V248-I254 HydrophobicContact CG2-CG1 4.07Å
249N95.6Very high96.6Very high54 Ų5449 Ų4929%0.28928%0.282SS..EExtended strand (participates in β ladder)trans-130170.9174.271.416.7000112.7F230 S251 S252 L253F230-N249 CarbonylContact O-C 3.49Å; F230-N249 WeakPolarHBondContact O-CA 3.36Å; F230-N249 VanDerWaalsContact O-CB 3.3Å; F230-N249 WeakPolarHBondContact O-CB 3.27Å; N249-S251 PolarHBondContact O-N 2.79Å; N249-S251 VanDerWaalsContact O-N 3.11Å; N249-S251 WeakPolarHBondContact OD1-CA 3.4Å; N249-S251 WeakPolarHBondContact OD1-CB 3.26Å; N249-S251 PolarHBondContact OD1-N 2.78Å; N249-S252 PolarHBondContact O-N 2.85Å; N249-S252 PolarHBondContact OD1-N 2.81Å; N249-L253 PolarHBondContact N-O 2.97Å; N249-L253 WeakPolarHBondContact OD1-CB 3.26Å; N249-L253 PolarHBondContact OD1-N 2.82Å
250N93.8Very high96.7Very high79 Ų7947.4 Ų47.442%0.42227%0.272SS..THydrogen-bonded Turntrans-69-0.5177.368.7-27.3000114.7T228 F230 S252T228-N250 PolarHBondContact O-ND2 2.92Å; F230-N250 HydrophobicContact CB-CB 4.21Å; F230-N250 PolarHBondContact N-OD1 3.44Å; F230-N250 PolarHBondContact O-N 2.92Å; F230-N250 PolarHBondContact O-OD1 2.85Å; N250-S252 VanDerWaalsContact C-N 3.34Å
251S91.9Very high96.9Very high53 Ų5343.6 Ų43.637%0.37125%0.247SC..THydrogen-bonded Turntrans-94.17.5168.3-60.90000112.6N249 L253 K277N249-S251 PolarHBondContact O-N 2.79Å; N249-S251 VanDerWaalsContact O-N 3.11Å; N249-S251 WeakPolarHBondContact OD1-CA 3.4Å; N249-S251 WeakPolarHBondContact OD1-CB 3.26Å; N249-S251 PolarHBondContact OD1-N 2.78Å; S251-L253 PolarHBondContact O-N 2.79Å; S251-K277 VanDerWaalsContact O-CE 3.29Å; S251-K277 WeakPolarHBondContact O-CE 3.44Å
252S93.4Very high96.9Very high51 Ų5145.8 Ų45.836%0.35726%0.256SS..  trans62.724.7-175.8-45.60000113.9N249 N250 G276N249-S252 PolarHBondContact O-N 2.85Å; N249-S252 PolarHBondContact OD1-N 2.81Å; N250-S252 VanDerWaalsContact C-N 3.34Å; S252-G276 VanDerWaalsContact O-CA 3.3Å; S252-G276 WeakPolarHBondContact O-CA 3.44Å; S252-G276 PolarHBondContact O-N 2.85Å
253L95.4Very high96.8Very high52 Ų5254 Ų5427%0.27229%0.286SS..EExtended strand (participates in β ladder)trans-84.5121.4171.4-63.5177.1000109.1V248 N249 S251 L273 D275V248-L253 WeakPolarHBondContact CA-O 3.26Å; N249-L253 PolarHBondContact N-O 2.97Å; N249-L253 WeakPolarHBondContact OD1-CB 3.26Å; N249-L253 PolarHBondContact OD1-N 2.82Å; S251-L253 PolarHBondContact O-N 2.79Å; L253-L273 HydrophobicContact CB-CD1 4.18Å; L253-D275 HydrophobicContact CD2-CB 4.01Å
254I97Very high96.7Very high78 Ų7859.7 Ų59.740%0.432%0.323SS..EExtended strand (participates in β ladder)trans-110.7115.8-179.5-57.5170000108.1K247 V248 L273 V274K247-I254 CarbonylContact O-C 3.46Å; K247-I254 WeakPolarHBondContact O-CA 3.47Å; V248-I254 HydrophobicContact CG2-CG1 4.07Å; I254-L273 CarbonylContact O-C 3.57Å; I254-L273 WeakPolarHBondContact O-CA 3.33Å; I254-V274 HydrophobicContact CB-CB 4.43Å; I254-V274 PolarHBondContact N-O 2.81Å; I254-V274 PolarHBondContact O-N 2.76Å
255G97.9Very high96.6Very high1 Ų157.8 Ų57.81%0.0132%0.321CS..EExtended strand (participates in β ladder)trans-103.7132.4175.700000110.9A246 K247 A272A246-G255 CarbonylContact C-O 3.52Å; A246-G255 VanDerWaalsContact CA-O 3.28Å; A246-G255 WeakPolarHBondContact CA-O 3.41Å; K247-G255 PolarHBondContact N-O 2.81Å; K247-G255 PolarHBondContact O-N 3.4Å; G255-A272 CarbonylContact C-O 3.56Å; G255-A272 WeakPolarHBondContact CA-O 3.38Å
256V98.2Very high96.5Very high66 Ų6658.7 Ų58.740%0.433%0.327SS..EExtended strand (participates in β ladder)trans-125.8146.1170.7-65.60000109.9S245 S271 A272S245-V256 CarbonylContact O-C 3.47Å; S245-V256 WeakPolarHBondContact O-CA 3.24Å; V256-S271 CarbonylContact O-C 3.57Å; V256-S271 VanDerWaalsContact O-CA 3.24Å; V256-S271 WeakPolarHBondContact O-CA 3.29Å; V256-A272 HydrophobicContact CG2-CB 3.9Å; V256-A272 PolarHBondContact N-O 3Å; V256-A272 PolarHBondContact O-N 2.81Å
257G98.3Very high96.5Very high4 Ų459.8 Ų59.84%0.04132%0.324CS..EExtended strand (participates in β ladder)trans-144.1138.7-179.500000110I244 S245 L270I244-G257 CarbonylContact C-O 3.57Å; I244-G257 WeakPolarHBondContact CA-O 3.32Å; S245-G257 PolarHBondContact N-O 2.82Å; S245-G257 PolarHBondContact O-N 3.11Å; G257-L270 CarbonylContact C-O 3.54Å; G257-L270 VanDerWaalsContact CA-O 3.26Å; G257-L270 WeakPolarHBondContact CA-O 3.2Å
258Y98.3Very high96.5Very high92 Ų9259.9 Ų59.936%0.36133%0.326SS..EExtended strand (participates in β ladder)trans-125.6127.3173.1175-100.6000108.1L238 A242 S243 I244 Q260 T269 L270L238-Y258 HydrophobicContact CD1-CD2 4.46Å; L238-Y258 HydrophobicContact CD1-CE2 3.94Å; A242-Y258 HydrophobicContact CB-CE2 4.35Å; S243-Y258 WeakPolarHBondContact O-CA 3.35Å; I244-Y258 HydrophobicContact CG1-CD2 4.03Å; Y258-Q260 HydrophobicContact CE1-CB 3.73Å; Y258-Q260 PolarHBondContact OH-OE1 2.85Å; Y258-T269 CarbonylContact O-C 3.59Å; Y258-T269 WeakPolarHBondContact O-CA 3.37Å; Y258-L270 PolarHBondContact N-O 2.93Å; Y258-L270 PolarHBondContact O-N 3.36Å
259T98.2Very high96.5Very high11 Ų1157.1 Ų57.17%0.06731%0.309CS..EExtended strand (participates in β ladder)trans-123.8126.7-179.6-64.90000109.4A242 S243 K267 L268 T269A242-T259 CarbonylContact C-O 3.54Å; A242-T259 WeakPolarHBondContact CA-O 3.4Å; S243-T259 PolarHBondContact N-O 2.85Å; S243-T259 PolarHBondContact O-N 3.34Å; T259-K267 HydrophobicContact CG2-CD 3.93Å; T259-K267 HydrophobicContact CG2-CG 3.83Å; T259-L268 CarbonylContact C-O 3.57Å; T259-L268 WeakPolarHBondContact CA-O 3.36Å; T259-T269 WeakPolarHBondContact CG2-OG1 3.3Å; T259-T269 WeakPolarHBondContact OG1-CG2 3.34Å; T259-T269 PolarHBondContact OG1-OG1 3.4Å
260Q98.2Very high96.7Very high33 Ų3358.2 Ų58.215%0.15432%0.315CS..EExtended strand (participates in β ladder)trans-127.5125-179.3-177.86539.600110.3T241 Y258 L262 K267 L268T241-Q260 CarbonylContact O-C 3.57Å; T241-Q260 WeakPolarHBondContact O-CA 3.29Å; T241-Q260 PolarHBondContact OG1-NE2 2.89Å; Y258-Q260 HydrophobicContact CE1-CB 3.73Å; Y258-Q260 PolarHBondContact OH-OE1 2.85Å; Q260-L262 HydrophobicContact CG-CD2 3.86Å; Q260-L262 PolarHBondContact O-N 2.88Å; Q260-K267 WeakPolarHBondContact O-CA 3.45Å; Q260-L268 PolarHBondContact N-O 3.05Å; Q260-L268 PolarHBondContact O-N 3.11Å
261T97.9Very high96.9Very high51 Ų5154.8 Ų54.831%0.31330%0.297SS..EExtended strand (participates in β ladder)trans-78.4111.2163.3-57.90000107.8T241 R263T241-T261 PolarHBondContact O-N 2.8Å; T261-R263 WeakPolarHBondContact CG2-O 3.46Å
262L96.4Very high97.1Very high106 Ų10653.5 Ų53.556%0.55529%0.29SS*.EExtended strand (participates in β ladder)trans-79.2-37.1-178-62.5176.8000111.2Q260 V266 L268Q260-L262 HydrophobicContact CG-CD2 3.86Å; Q260-L262 PolarHBondContact O-N 2.88Å; L262-V266 HydrophobicContact CB-CG1 4.19Å; L262-V266 HydrophobicContact CD1-CG1 4.1Å; L262-V266 PolarHBondContact N-O 2.97Å; L262-L268 HydrophobicContact CD1-CB 4.12Å; L262-L268 HydrophobicContact CG-CB 4.35Å
263R95.5Very high97.3Very high173 Ų17352.4 Ų52.465%0.65328%0.28SS*.EExtended strand (participates in β ladder)trans-159.9167.8172.164.2175.8-162-174.54.6108.6T261 G265 V266T261-R263 WeakPolarHBondContact CG2-O 3.46Å; R263-G265 PolarHBondContact O-N 2.64Å; R263-V266 HydrophobicContact CG-CB 3.72Å; R263-V266 HydrophobicContact CG-CG2 3.62Å; R263-V266 PolarHBondContact O-N 3.37Å; R263-V266 VanDerWaalsContact O-O 3.08Å
264P95.1Very high97.3Very high126 Ų12652.4 Ų52.482%0.81828%0.282SS*.THydrogen-bonded Turntrans-50.6129.6173-27.636.4000111.3V266P264-V266 VanDerWaalsContact C-N 3.3Å; P264-V266 PolarHBondContact O-N 2.85Å
265G95Very high97.2Very high32 Ų3250.5 Ų50.533%0.3327%0.273SS..THydrogen-bonded Turntrans76.34.1-177.100000115.7R263 L292 E293R263-G265 PolarHBondContact O-N 2.64Å; G265-L292 CarbonylContact O-C 3.55Å; G265-L292 VanDerWaalsContact O-CA 3.26Å; G265-L292 WeakPolarHBondContact O-CA 3.18Å; G265-E293 VanDerWaalsContact CA-O 3.26Å; G265-E293 WeakPolarHBondContact CA-O 3.41Å; G265-E293 PolarHBondContact O-N 3.14Å
266V97.7Very high96.9Very high20 Ų2051.7 Ų51.712%0.12129%0.285CS..EExtended strand (participates in β ladder)trans-131.9115.7176.9-177.80000110.4L262 R263 P264 L290 E291 L292L262-V266 HydrophobicContact CB-CG1 4.19Å; L262-V266 HydrophobicContact CD1-CG1 4.1Å; L262-V266 PolarHBondContact N-O 2.97Å; R263-V266 HydrophobicContact CG-CB 3.72Å; R263-V266 HydrophobicContact CG-CG2 3.62Å; R263-V266 PolarHBondContact O-N 3.37Å; R263-V266 VanDerWaalsContact O-O 3.08Å; P264-V266 VanDerWaalsContact C-N 3.3Å; P264-V266 PolarHBondContact O-N 2.85Å; V266-L290 HydrophobicContact CG1-CD1 4.12Å; V266-E291 WeakPolarHBondContact CA-O 3.49Å; V266-L292 HydrophobicContact CB-CD2 4.15Å; V266-L292 HydrophobicContact CG1-CD2 3.74Å; V266-L292 HydrophobicContact CG2-CD2 3.77Å
267K97.8Very high96.5Very high64 Ų6455.4 Ų55.428%0.27830%0.296SS..EExtended strand (participates in β ladder)trans-131.4127.7-176.9175.8173.8154.7-121.60110.9T259 Q260 E291T259-K267 HydrophobicContact CG2-CD 3.93Å; T259-K267 HydrophobicContact CG2-CG 3.83Å; Q260-K267 WeakPolarHBondContact O-CA 3.45Å; K267-E291 HydrophobicContact CB-CB 4.25Å; K267-E291 PolarHBondContact N-O 2.93Å; K267-E291 VanDerWaalsContact NZ-CD 3.29Å; K267-E291 IonicContact NZ-OE1 2.78Å; K267-E291 PolarHBondContact NZ-OE1 3.11Å; K267-E291 IonicContact NZ-OE2 2.69Å; K267-E291 PolarHBondContact NZ-OE2 3.26Å; K267-E291 PolarHBondContact O-N 3.13Å
268L98.1Very high96Very high45 Ų4557.5 Ų57.524%0.23631%0.31CS..EExtended strand (participates in β ladder)trans-108.7132.6179.1179.669.2000109.3T259 Q260 L262 L288 L290T259-L268 CarbonylContact C-O 3.57Å; T259-L268 WeakPolarHBondContact CA-O 3.36Å; Q260-L268 PolarHBondContact N-O 3.05Å; Q260-L268 PolarHBondContact O-N 3.11Å; L262-L268 HydrophobicContact CD1-CB 4.12Å; L262-L268 HydrophobicContact CG-CB 4.35Å; L268-L288 HydrophobicContact CD1-CD1 4.4Å; L268-L288 HydrophobicContact CD1-CG 4.3Å; L268-L290 HydrophobicContact CD1-CD1 4.4Å
269T98.3Very high95.5Very high8 Ų858 Ų585%0.04932%0.318CS..EExtended strand (participates in β ladder)trans-124123.5173.2-65.10000109.8Y258 T259 L288 A289Y258-T269 CarbonylContact O-C 3.59Å; Y258-T269 WeakPolarHBondContact O-CA 3.37Å; T259-T269 WeakPolarHBondContact CG2-OG1 3.3Å; T259-T269 WeakPolarHBondContact OG1-CG2 3.34Å; T259-T269 PolarHBondContact OG1-OG1 3.4Å; T269-L288 CarbonylContact O-C 3.53Å; T269-L288 WeakPolarHBondContact O-CA 3.29Å; T269-A289 PolarHBondContact N-O 3.25Å; T269-A289 PolarHBondContact O-N 3.45Å
270L98.2Very high95Very high77 Ų7765.6 Ų65.640%0.40336%0.358SS..EExtended strand (participates in β ladder)trans-104.6140.1169.6-60.5176.2000108.3G257 Y258 L288G257-L270 CarbonylContact C-O 3.54Å; G257-L270 VanDerWaalsContact CA-O 3.26Å; G257-L270 WeakPolarHBondContact CA-O 3.2Å; Y258-L270 PolarHBondContact N-O 2.93Å; Y258-L270 PolarHBondContact O-N 3.36Å; L270-L288 HydrophobicContact CD2-CB 4.37Å; L270-L288 HydrophobicContact CD2-CD1 3.63Å; L270-L288 HydrophobicContact CD2-CG 4.1Å
271S98Very high94.3Very high7 Ų768.2 Ų68.25%0.04939%0.385CS..EExtended strand (participates in β ladder)trans-144.9149.4176.962.40000111.9G34 V256 V286 G287G34-S271 PolarHBondContact N-OG 3.4Å; V256-S271 CarbonylContact O-C 3.57Å; V256-S271 VanDerWaalsContact O-CA 3.24Å; V256-S271 WeakPolarHBondContact O-CA 3.29Å; S271-V286 CarbonylContact O-C 3.52Å; S271-V286 WeakPolarHBondContact O-CA 3.28Å; S271-G287 PolarHBondContact N-O 3.11Å; S271-G287 PolarHBondContact O-N 2.84Å
272A97.3Very high93.7Very high27 Ų2767.1 Ų67.122%0.22338%0.384CS..EExtended strand (participates in β ladder)trans-138.1140.3175.700000110.8F35 G255 V256 K285F35-A272 VanDerWaalsContact CE1-C 3.44Å; F35-A272 WeakPolarHBondContact CE1-O 3.26Å; G255-A272 CarbonylContact C-O 3.56Å; G255-A272 WeakPolarHBondContact CA-O 3.38Å; V256-A272 HydrophobicContact CG2-CB 3.9Å; V256-A272 PolarHBondContact N-O 3Å; V256-A272 PolarHBondContact O-N 2.81Å; A272-K285 CarbonylContact C-O 3.54Å; A272-K285 VanDerWaalsContact CA-O 3.22Å; A272-K285 WeakPolarHBondContact CA-O 3.24Å
273L97.2Very high93.1Very high28 Ų2864.9 Ų64.915%0.14739%0.387CS..EExtended strand (participates in β ladder)trans-114.7120.3172.1-176.167.6000108.3F35 L253 I254 H284 K285F35-L273 HydrophobicContact CB-CB 4.06Å; F35-L273 HydrophobicContact CD1-CB 3.78Å; F35-L273 HydrophobicContact CD2-CB 3.85Å; F35-L273 HydrophobicContact CD2-CD1 4.05Å; F35-L273 HydrophobicContact CD2-CD2 4.01Å; F35-L273 HydrophobicContact CD2-CG 4.2Å; F35-L273 HydrophobicContact CE1-CB 4.11Å; F35-L273 HydrophobicContact CE2-CB 4.16Å; F35-L273 HydrophobicContact CE2-CD1 3.74Å; F35-L273 HydrophobicContact CE2-CG 4.37Å; F35-L273 HydrophobicContact CG-CB 3.65Å; F35-L273 HydrophobicContact CG-CD2 4.4Å; F35-L273 HydrophobicContact CG-CG 4.47Å; F35-L273 HydrophobicContact CZ-CB 4.28Å; F35-L273 HydrophobicContact CZ-CD1 4.14Å; L253-L273 HydrophobicContact CB-CD1 4.18Å; I254-L273 CarbonylContact O-C 3.57Å; I254-L273 WeakPolarHBondContact O-CA 3.33Å; L273-H284 CarbonylContact O-C 3.55Å; L273-H284 WeakPolarHBondContact O-CA 3.22Å; L273-H284 WeakPolarHBondContact O-CB 3.41Å; L273-K285 HydrophobicContact CB-CB 4.2Å; L273-K285 PolarHBondContact N-O 2.91Å; L273-K285 PolarHBondContact O-N 3.28Å
274V96.2Very high93Very high51 Ų5160.5 Ų60.531%0.30937%0.373SS..EExtended strand (participates in β ladder)trans-104.9130.8176.2-178.80000108.6I254I254-V274 HydrophobicContact CB-CB 4.43Å; I254-V274 PolarHBondContact N-O 2.81Å; I254-V274 PolarHBondContact O-N 2.76Å
275D94.4Very high93Very high39 Ų3957.9 Ų57.921%0.20935%0.349CS..EExtended strand (participates in β ladder)trans-92.3103.8172.5-172.4-25.9000108.4L253 K277 S278 I279 H284L253-D275 HydrophobicContact CD2-CB 4.01Å; D275-K277 VanDerWaalsContact C-N 3.26Å; D275-K277 PolarHBondContact O-N 2.88Å; D275-K277 WeakPolarHBondContact OD1-CB 3.48Å; D275-K277 PolarHBondContact OD1-N 2.69Å; D275-S278 CarbonylContact O-C 3.43Å; D275-S278 PolarHBondContact O-N 2.78Å; D275-S278 PolarHBondContact OD1-N 2.79Å; D275-I279 WeakPolarHBondContact O-CG1 3.36Å; D275-I279 PolarHBondContact O-N 2.79Å; D275-I279 VanDerWaalsContact O-N 3.14Å; D275-H284 PolarHBondContact N-CE1 3.26Å; D275-H284 PolarHBondContact N-ND1 2.75Å; D275-H284 VanDerWaalsContact N-ND1 3.11Å
276G91Very high93Very high26 Ų2661.4 Ų61.427%0.26836%0.364SS..SBendtrans-69.2-19.1-178.300000114.1S252S252-G276 VanDerWaalsContact O-CA 3.3Å; S252-G276 WeakPolarHBondContact O-CA 3.44Å; S252-G276 PolarHBondContact O-N 2.85Å
277K89.9Confident93Very high143 Ų14360.5 Ų60.562%0.62236%0.359SS*.SBendtrans-80.9-27.8174.2-67.1-178.9179.91750111.7S251 D275S251-K277 VanDerWaalsContact O-CE 3.29Å; S251-K277 WeakPolarHBondContact O-CE 3.44Å; D275-K277 VanDerWaalsContact C-N 3.26Å; D275-K277 PolarHBondContact O-N 2.88Å; D275-K277 WeakPolarHBondContact OD1-CB 3.48Å; D275-K277 PolarHBondContact OD1-N 2.69Å
278S88.5Confident93Very high48 Ų4860.8 Ų60.834%0.33636%0.363SS..SBendtrans-124.636.5-171.1-70.10000113.2D275 N280 A281 G282D275-S278 CarbonylContact O-C 3.43Å; D275-S278 PolarHBondContact O-N 2.78Å; D275-S278 PolarHBondContact OD1-N 2.79Å; S278-N280 PolarHBondContact O-N 2.84Å; S278-N280 VanDerWaalsContact O-N 3.11Å; S278-A281 PolarHBondContact O-N 2.81Å; S278-G282 PolarHBondContact O-N 2.8Å; S278-G282 VanDerWaalsContact O-N 3.13Å
279I86.3Confident93Very high104 Ų10459.3 Ų59.353%0.53336%0.357SS..THydrogen-bonded Turntrans-50.8-41.2-177.2-63.7173.2000112.8D275 H284D275-I279 WeakPolarHBondContact O-CG1 3.36Å; D275-I279 PolarHBondContact O-N 2.79Å; D275-I279 VanDerWaalsContact O-N 3.14Å; I279-H284 PolarHBondContact O-NE2 2.94Å
280N88.2Confident92.9Very high170 Ų17061.3 Ų61.391%0.90937%0.367SS*.THydrogen-bonded Turntrans-87.4-18.9-179.4-63-24.2000113.4S278S278-N280 PolarHBondContact O-N 2.84Å; S278-N280 VanDerWaalsContact O-N 3.11Å
281A83.9Confident92.9Very high88 Ų8861.1 Ų61.173%0.72736%0.364SS*.THydrogen-bonded Turntrans-93.2-4.2-176.200000112.8S278S278-A281 PolarHBondContact O-N 2.81Å
282G84Confident92.9Very high28 Ų2863.4 Ų63.429%0.28938%0.376SS..  trans85-143.6-178.300000112.4S278 H284S278-G282 PolarHBondContact O-N 2.8Å; S278-G282 VanDerWaalsContact O-N 3.13Å; G282-H284 PolarHBondContact O-N 2.74Å
283G84.4Confident92.8Very high59 Ų5968.5 Ų68.561%0.60840%0.395SS*.  trans79.13.7-171.200000114
284H92.8Very high92.5Very high81 Ų8172.8 Ų72.838%0.37544%0.435SS..  trans-69.8145.7172.3-53.2-30000110.6L273 D275 I279 G282L273-H284 CarbonylContact O-C 3.55Å; L273-H284 WeakPolarHBondContact O-CA 3.22Å; L273-H284 WeakPolarHBondContact O-CB 3.41Å; D275-H284 PolarHBondContact N-CE1 3.26Å; D275-H284 PolarHBondContact N-ND1 2.75Å; D275-H284 VanDerWaalsContact N-ND1 3.11Å; I279-H284 PolarHBondContact O-NE2 2.94Å; G282-H284 PolarHBondContact O-N 2.74Å
285K95.2Very high92.3Very high70 Ų7073.9 Ų73.930%0.30444%0.441SS..EExtended strand (participates in β ladder)trans-124.8139.1179-55.1-165.5-178-157.10110F35 D61 A272 L273F35-K285 HydrophobicContact CB-CB 4.04Å; F35-K285 HydrophobicContact CB-CD 4.48Å; D61-K285 WeakPolarHBondContact OD2-CE 3.37Å; D61-K285 IonicContact OD2-NZ 2.8Å; D61-K285 PolarHBondContact OD2-NZ 3.39Å; A272-K285 CarbonylContact C-O 3.54Å; A272-K285 VanDerWaalsContact CA-O 3.22Å; A272-K285 WeakPolarHBondContact CA-O 3.24Å; L273-K285 HydrophobicContact CB-CB 4.2Å; L273-K285 PolarHBondContact N-O 2.91Å; L273-K285 PolarHBondContact O-N 3.28Å
286V95.8Very high92.2Very high106 Ų10675.7 Ų75.764%0.64245%0.453SS*.EExtended strand (participates in β ladder)trans-113.3144.9170.5-179.10000108.2G36 S271G36-V286 VanDerWaalsContact CA-O 3.29Å; G36-V286 WeakPolarHBondContact CA-O 3.3Å; G36-V286 PolarHBondContact N-O 2.82Å; S271-V286 CarbonylContact O-C 3.52Å; S271-V286 WeakPolarHBondContact O-CA 3.28Å
287G97.2Very high92.3Very high2 Ų278.5 Ų78.52%0.02146%0.463CS..EExtended strand (participates in β ladder)trans-134.6142.918000000111.1G34 L37 S271G34-G287 WeakPolarHBondContact O-CA 3.47Å; L37-G287 CarbonylContact O-C 3.6Å; L37-G287 VanDerWaalsContact O-CA 3.26Å; L37-G287 WeakPolarHBondContact O-CA 3.42Å; S271-G287 PolarHBondContact N-O 3.11Å; S271-G287 PolarHBondContact O-N 2.84Å
288L97.8Very high92.4Very high70 Ų7074.7 Ų74.737%0.36645%0.454SS..EExtended strand (participates in β ladder)trans-133.8127.4176.1-179.5137.8000108.2L37 V38 K39 L268 T269 L270L37-L288 PolarHBondContact O-N 3.43Å; V38-L288 CarbonylContact C-O 3.53Å; V38-L288 VanDerWaalsContact CA-O 3.26Å; V38-L288 WeakPolarHBondContact CA-O 3.35Å; V38-L288 HydrophobicContact CG1-CD2 4.13Å; K39-L288 PolarHBondContact N-O 2.83Å; L268-L288 HydrophobicContact CD1-CD1 4.4Å; L268-L288 HydrophobicContact CD1-CG 4.3Å; T269-L288 CarbonylContact O-C 3.53Å; T269-L288 WeakPolarHBondContact O-CA 3.29Å; L270-L288 HydrophobicContact CD2-CB 4.37Å; L270-L288 HydrophobicContact CD2-CD1 3.63Å; L270-L288 HydrophobicContact CD2-CG 4.1Å
289A97.8Very high92.6Very high13 Ų1376.4 Ų76.411%0.10746%0.462CS..EExtended strand (participates in β ladder)trans-128.5131.7175.200000110.1K39 T269K39-A289 HydrophobicContact CB-CB 4.04Å; K39-A289 CarbonylContact O-C 3.56Å; K39-A289 VanDerWaalsContact O-CA 3.28Å; K39-A289 WeakPolarHBondContact O-CA 3.47Å; T269-A289 PolarHBondContact N-O 3.25Å; T269-A289 PolarHBondContact O-N 3.45Å
290L97.8Very high93.1Very high51 Ų5174.5 Ų74.527%0.26746%0.457SS..EExtended strand (participates in β ladder)trans-115120.7171.9-176.464.3000108.8K39 L40 D41 V266 L268 L292K39-L290 PolarHBondContact O-N 3.37Å; L40-L290 CarbonylContact C-O 3.57Å; L40-L290 WeakPolarHBondContact CA-O 3.36Å; L40-L290 HydrophobicContact CD1-CB 3.98Å; L40-L290 HydrophobicContact CD1-CD2 3.94Å; L40-L290 HydrophobicContact CD1-CG 4.06Å; D41-L290 PolarHBondContact N-O 2.77Å; V266-L290 HydrophobicContact CG1-CD1 4.12Å; L268-L290 HydrophobicContact CD1-CD1 4.4Å; L290-L292 HydrophobicContact CD1-CD2 4.19Å; L290-L292 HydrophobicContact CD2-CD1 4.44Å; L290-L292 HydrophobicContact CD2-CD2 4.24Å; L290-L292 HydrophobicContact CD2-CG 4.41Å; L290-L292 HydrophobicContact CG-CD2 4.04Å; L290-L292 HydrophobicContact CG-CG 4.21Å
291E97.9Very high93.4Very high72 Ų7267.7 Ų67.734%0.33642%0.424SS..EExtended strand (participates in β ladder)trans-107.4122.1175.3-66.6170.3-148.500108.4D41 V266 K267D41-E291 HydrophobicContact CB-CG 4.34Å; D41-E291 CarbonylContact O-C 3.53Å; D41-E291 WeakPolarHBondContact O-CA 3.3Å; V266-E291 WeakPolarHBondContact CA-O 3.49Å; K267-E291 HydrophobicContact CB-CB 4.25Å; K267-E291 PolarHBondContact N-O 2.93Å; K267-E291 VanDerWaalsContact NZ-CD 3.29Å; K267-E291 IonicContact NZ-OE1 2.78Å; K267-E291 PolarHBondContact NZ-OE1 3.11Å; K267-E291 IonicContact NZ-OE2 2.69Å; K267-E291 PolarHBondContact NZ-OE2 3.26Å; K267-E291 PolarHBondContact O-N 3.13Å
292L97.8Very high94.1Very high56 Ų5666.2 Ų66.229%0.29340%0.401SS..EExtended strand (participates in β ladder)trans-117.1130.9176.4-56178.7000109.2L40 D41 V42 K43 G265 V266 L290L40-L292 HydrophobicContact CD1-CD1 4.16Å; L40-L292 HydrophobicContact CD1-CG 4.42Å; D41-L292 PolarHBondContact O-N 3.43Å; V42-L292 CarbonylContact C-O 3.47Å; V42-L292 WeakPolarHBondContact CA-O 3.44Å; V42-L292 HydrophobicContact CG1-CB 4.33Å; V42-L292 HydrophobicContact CG2-CB 4.31Å; V42-L292 HydrophobicContact CG2-CD1 4.13Å; K43-L292 PolarHBondContact N-O 2.86Å; G265-L292 CarbonylContact O-C 3.55Å; G265-L292 VanDerWaalsContact O-CA 3.26Å; G265-L292 WeakPolarHBondContact O-CA 3.18Å; V266-L292 HydrophobicContact CB-CD2 4.15Å; V266-L292 HydrophobicContact CG1-CD2 3.74Å; V266-L292 HydrophobicContact CG2-CD2 3.77Å; L290-L292 HydrophobicContact CD1-CD2 4.19Å; L290-L292 HydrophobicContact CD2-CD1 4.44Å; L290-L292 HydrophobicContact CD2-CD2 4.24Å; L290-L292 HydrophobicContact CD2-CG 4.41Å; L290-L292 HydrophobicContact CG-CD2 4.04Å; L290-L292 HydrophobicContact CG-CG 4.21Å
293E95.7Very high95Very high133 Ų13369.3 Ų69.362%0.62141%0.411SS*.EExtended strand (participates in β ladder)trans-135.2127.6177.9-171.7167.2-170.300109.6K43 G265K43-E293 HydrophobicContact CB-CG 4.26Å; K43-E293 CarbonylContact O-C 3.51Å; K43-E293 VanDerWaalsContact O-CA 3.29Å; K43-E293 WeakPolarHBondContact O-CA 3.28Å; G265-E293 VanDerWaalsContact CA-O 3.26Å; G265-E293 WeakPolarHBondContact CA-O 3.41Å; G265-E293 PolarHBondContact O-N 3.14Å
294A89.7Confident95.9Very high119 Ų11970.3 Ų70.398%0.98339%0.393SS*.  trans-139.70-178.200000113.1K43 T44 K45K43-A294 PolarHBondContact O-N 3.15Å; T44-A294 CarbonylContact C-O 3.48Å; T44-A294 VanDerWaalsContact CA-O 3.23Å; T44-A294 WeakPolarHBondContact CA-O 3.34Å; T44-A294 HydrophobicContact CG2-CB 4.41Å; K45-A294 PolarHBondContact N-O 3.2Å

Retrieved 294 of 294 residues in 59.8 ms (Link to these results)

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