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Non-selective voltage-gated ion channel VDAC2

Non-selective voltage-gated ion channel that mediates the transport of anions and cations through the mitochondrion outer membrane and plasma membrane1. The channel adopts an open conformation at zero mV and a closed conformation at both positive and negative potentials2. There are two populations of channels; the main that functions in a lower open-state conductance with lower ion selectivity, that switch, in a voltage-dependent manner, from the open to a low-conducting 'closed' state and the other that has a normal ion selectivity in the typical high conductance, 'open' state3. Binds various lipids, including the sphingolipid ceramide, the phospholipid phosphatidylcholine, and the sterols cholesterol and oxysterol4. Binding of ceramide promotes the mitochondrial outer membrane permeabilization (MOMP) apoptotic pathway5. Associates with the translocase of the outer mitochondrial membrane (TOM) complex and PINK1 kinase at depolarized mitochondria, this interaction stabilizes PINK1 at the outer mitochondrial membrane and triggers downstream mitophagy by the recruitment of the E3 ubiquitin ligase PRKN6. 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 , UniProt , Accession P45880, 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 450.1 ms (Link to these results)