A0A096M892_POEFO Loading...

Lamin B1

AlphaFold DB , UniProt , Accession A0A096M892, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 274 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
1T63.1Low87.7Confident149 Ų149115.5 Ų115.591%0.91459%0.585SS**  0120.6036.80000109.2G3 S4T1-G3 VanDerWaalsContact C-N 3.3Å; T1-G3 PolarHBondContact O-N 3.07Å; T1-S4 PolarHBondContact O-N 2.97Å; T1-S4 PolarHBondContact OG1-OG 2.73Å
2R76.3Confident88.3Confident221 Ų221116.6 Ų116.683%0.83459%0.586SS**Hα-helixtrans-55.7-41.9-180-104175.9158.7172.6-7.1112.6S4 R5 D6R2-S4 VanDerWaalsContact C-N 3.25Å; R2-S4 PolarHBondContact O-N 3.23Å; R2-S4 VanDerWaalsContact O-N 3.14Å; R2-R5 WeakPolarHBondContact O-CB 3.44Å; R2-R5 PolarHBondContact O-N 3.39Å; R2-D6 PolarHBondContact O-N 3.38Å
3G86.8Confident88.9Confident48 Ų48112.2 Ų112.250%0.49558%0.579SS.*Hα-helixtrans-61.7-24.3-178.300000115.9T1 R7T1-G3 VanDerWaalsContact C-N 3.3Å; T1-G3 PolarHBondContact O-N 3.07Å; G3-R7 WeakPolarHBondContact O-CB 3.5Å; G3-R7 PolarHBondContact O-N 2.97Å
4S86.6Confident89.4Confident64 Ų64107.8 Ų107.845%0.44857%0.567SS.*Hα-helixtrans-71.7-33.4174.8-52.10000111.8T1 R2 I8T1-S4 PolarHBondContact O-N 2.97Å; T1-S4 PolarHBondContact OG1-OG 2.73Å; R2-S4 VanDerWaalsContact C-N 3.25Å; R2-S4 PolarHBondContact O-N 3.23Å; R2-S4 VanDerWaalsContact O-N 3.14Å; S4-I8 WeakPolarHBondContact O-CD1 3.47Å; S4-I8 WeakPolarHBondContact O-CG1 3.49Å; S4-I8 PolarHBondContact O-N 2.97Å; S4-I8 VanDerWaalsContact O-N 3.16Å
5R89.7Confident89.8Confident197 Ų197106.6 Ų106.674%0.74356%0.561SS**Hα-helixtrans-72.1-41.1174.4-76.7-175.4178.1149.1-0.8111.5R2 R7 I8 A9R2-R5 WeakPolarHBondContact O-CB 3.44Å; R2-R5 PolarHBondContact O-N 3.39Å; R5-R7 VanDerWaalsContact C-N 3.3Å; R5-R7 PolarHBondContact O-N 3.14Å; R5-I8 PolarHBondContact O-N 3.35Å; R5-A9 PolarHBondContact O-N 3.22Å
6D92.6Very high90.3Very high105 Ų105102.8 Ų102.856%0.56155%0.55SS*.Hα-helixtrans-62.6-40.7178.1-57.2-29.6000110.7R2 A9 E10R2-D6 PolarHBondContact O-N 3.38Å; D6-A9 PolarHBondContact O-N 3.39Å; D6-E10 WeakPolarHBondContact O-CB 3.45Å; D6-E10 PolarHBondContact O-N 3Å
7R92.8Very high90.7Very high135 Ų135104.5 Ų104.551%0.50955%0.554SS.*Hα-helixtrans-67-36.7175.7-172.656.5176.2179.32.7113.4G3 R5 E10 L11G3-R7 WeakPolarHBondContact O-CB 3.5Å; G3-R7 PolarHBondContact O-N 2.97Å; R5-R7 VanDerWaalsContact C-N 3.3Å; R5-R7 PolarHBondContact O-N 3.14Å; R7-E10 WeakPolarHBondContact CD-OE2 3.34Å; R7-E10 IonicContact CZ-OE2 2.77Å; R7-E10 VanDerWaalsContact NH1-CD 3.26Å; R7-E10 IonicContact NH1-OE1 3.96Å; R7-E10 PolarHBondContact NH1-OE1 3.07Å; R7-E10 IonicContact NH1-OE2 3.78Å; R7-E10 PolarHBondContact NH1-OE2 2.94Å; R7-L11 HydrophobicContact CG-CD1 4.28Å; R7-L11 VanDerWaalsContact O-CG 3.27Å; R7-L11 WeakPolarHBondContact O-CG 3.45Å; R7-L11 PolarHBondContact O-N 3.16Å; R7-L11 VanDerWaalsContact O-N 3.07Å
8I92.9Very high91Very high92 Ų92105.9 Ų105.947%0.47256%0.556SS.*Hα-helixtrans-64.6-47.1174.7-71.4164000109.9S4 R5 E10 L11 E12S4-I8 WeakPolarHBondContact O-CD1 3.47Å; S4-I8 WeakPolarHBondContact O-CG1 3.49Å; S4-I8 PolarHBondContact O-N 2.97Å; S4-I8 VanDerWaalsContact O-N 3.16Å; R5-I8 PolarHBondContact O-N 3.35Å; I8-E10 VanDerWaalsContact C-N 3.32Å; I8-E10 PolarHBondContact O-N 2.95Å; I8-L11 PolarHBondContact O-N 3.38Å; I8-E12 HydrophobicContact CG2-CG 4.33Å; I8-E12 WeakPolarHBondContact CG2-OE1 3.4Å; I8-E12 WeakPolarHBondContact O-CB 3.36Å; I8-E12 WeakPolarHBondContact O-CG 3.34Å; I8-E12 PolarHBondContact O-N 2.9Å
9A94.4Very high91.3Very high53 Ų53109.3 Ų109.344%0.43856%0.561SS.*Hα-helixtrans-61.4-39.4178.400000112.5R5 D6 A13R5-A9 PolarHBondContact O-N 3.22Å; D6-A9 PolarHBondContact O-N 3.39Å; A9-A13 WeakPolarHBondContact O-CB 3.48Å; A9-A13 PolarHBondContact O-N 3.23Å
10E94.8Very high91.6Very high110 Ų110107.3 Ų107.351%0.51455%0.551SS.*Hα-helixtrans-63.9-44.1175.3-171.9-172.3-176.600112.1D6 R7 I8 A13 A14D6-E10 WeakPolarHBondContact O-CB 3.45Å; D6-E10 PolarHBondContact O-N 3Å; R7-E10 WeakPolarHBondContact CD-OE2 3.34Å; R7-E10 IonicContact CZ-OE2 2.77Å; R7-E10 VanDerWaalsContact NH1-CD 3.26Å; R7-E10 IonicContact NH1-OE1 3.96Å; R7-E10 PolarHBondContact NH1-OE1 3.07Å; R7-E10 IonicContact NH1-OE2 3.78Å; R7-E10 PolarHBondContact NH1-OE2 2.94Å; I8-E10 VanDerWaalsContact C-N 3.32Å; I8-E10 PolarHBondContact O-N 2.95Å; E10-A13 PolarHBondContact O-N 3.17Å; E10-A14 WeakPolarHBondContact O-CB 3.27Å; E10-A14 PolarHBondContact O-N 3.44Å
11L94.5Very high91.8Very high96 Ų96105.1 Ų105.150%0.50354%0.543SS..Hα-helixtrans-67.4-38.9177.9-71.6171.7000112.2R7 I8 A14 L15R7-L11 HydrophobicContact CG-CD1 4.28Å; R7-L11 VanDerWaalsContact O-CG 3.27Å; R7-L11 WeakPolarHBondContact O-CG 3.45Å; R7-L11 PolarHBondContact O-N 3.16Å; R7-L11 VanDerWaalsContact O-N 3.07Å; I8-L11 PolarHBondContact O-N 3.38Å; L11-A14 PolarHBondContact O-N 3.22Å; L11-L15 WeakPolarHBondContact O-CB 3.2Å; L11-L15 PolarHBondContact O-N 2.92Å
12E94.7Very high93.4Very high129 Ų129100.9 Ų100.960%0.60352%0.519SS*.Hα-helixtrans-63.2-42.3174-73.8174.1173.600111.4I8 L15 A16I8-E12 HydrophobicContact CG2-CG 4.33Å; I8-E12 WeakPolarHBondContact CG2-OE1 3.4Å; I8-E12 WeakPolarHBondContact O-CB 3.36Å; I8-E12 WeakPolarHBondContact O-CG 3.34Å; I8-E12 PolarHBondContact O-N 2.9Å; E12-L15 PolarHBondContact O-N 2.89Å; E12-A16 WeakPolarHBondContact O-CB 3.42Å; E12-A16 PolarHBondContact O-N 3.33Å
13A96.1Very high94.4Very high59 Ų5998.4 Ų98.449%0.48851%0.51SS..Hα-helixtrans-64.4-43.1175.600000112.3A9 E10 L15 A16 Q17A9-A13 WeakPolarHBondContact O-CB 3.48Å; A9-A13 PolarHBondContact O-N 3.23Å; E10-A13 PolarHBondContact O-N 3.17Å; A13-L15 PolarHBondContact O-N 3.45Å; A13-A16 PolarHBondContact O-N 3Å; A13-Q17 WeakPolarHBondContact O-CB 3.44Å; A13-Q17 PolarHBondContact O-N 2.93Å
14A96Very high94.9Very high51 Ų51103.4 Ų103.442%0.42152%0.518SS..Hα-helixtrans-63.1-41.5176.400000111.9E10 L11 Q17 E18E10-A14 WeakPolarHBondContact O-CB 3.27Å; E10-A14 PolarHBondContact O-N 3.44Å; L11-A14 PolarHBondContact O-N 3.22Å; A14-Q17 PolarHBondContact O-N 3.5Å; A14-E18 PolarHBondContact O-N 3.43Å
15L96.4Very high95.4Very high90 Ų90105.5 Ų105.547%0.47152%0.524SS..Hα-helixtrans-68.6-35.9177.5-174.1143.1000112.2L11 E12 A13 R19L11-L15 WeakPolarHBondContact O-CB 3.2Å; L11-L15 PolarHBondContact O-N 2.92Å; E12-L15 PolarHBondContact O-N 2.89Å; A13-L15 PolarHBondContact O-N 3.45Å; L15-R19 WeakPolarHBondContact O-CG 3.36Å; L15-R19 PolarHBondContact O-N 2.66Å; L15-R19 VanDerWaalsContact O-N 3.1Å
16A96.6Very high95.7Very high46 Ų46101 Ų10138%0.3851%0.514SS..Hα-helixtrans-64.4-43.817200000111.5E12 A13 E18 R19 D20E12-A16 WeakPolarHBondContact O-CB 3.42Å; E12-A16 PolarHBondContact O-N 3.33Å; A13-A16 PolarHBondContact O-N 3Å; A16-E18 PolarHBondContact O-N 3.31Å; A16-R19 PolarHBondContact O-N 3.47Å; A16-D20 PolarHBondContact O-N 3.34Å
17Q96.9Very high96Very high132 Ų13297.8 Ų97.862%0.61751%0.506SS*.Hα-helixtrans-60.4-44.5175.8-176.6178.40.100111.7A13 A14 R19 D20 T21A13-Q17 WeakPolarHBondContact O-CB 3.44Å; A13-Q17 PolarHBondContact O-N 2.93Å; A14-Q17 PolarHBondContact O-N 3.5Å; Q17-R19 VanDerWaalsContact C-N 3.33Å; Q17-R19 PolarHBondContact O-N 3.37Å; Q17-D20 PolarHBondContact O-N 3.42Å; Q17-D20 VanDerWaalsContact O-N 3.17Å; Q17-T21 WeakPolarHBondContact O-CG2 3.35Å; Q17-T21 PolarHBondContact O-N 2.95Å; Q17-T21 PolarHBondContact O-OG1 2.97Å
18E96.6Very high96.1Very high129 Ų12995.2 Ų95.260%0.60350%0.502SS*.Hα-helixtrans-64.8-36.3179.2-169.660.4-155.900112.5A14 A16 T21 S22A14-E18 PolarHBondContact O-N 3.43Å; A16-E18 PolarHBondContact O-N 3.31Å; E18-T21 VanDerWaalsContact CA-OG1 3.32Å; E18-T21 WeakPolarHBondContact CA-OG1 3.32Å; E18-T21 PolarHBondContact O-OG1 3.2Å; E18-S22 VanDerWaalsContact O-CB 3.24Å; E18-S22 WeakPolarHBondContact O-CB 3.32Å; E18-S22 PolarHBondContact O-N 3.44Å
19R97Very high96.2Very high171 Ų17195.6 Ų95.665%0.64550%0.5SS*.Hα-helixtrans-65.7-40.3172.8-75.1174.4170.2166.2-2111.8L15 A16 Q17 R23L15-R19 WeakPolarHBondContact O-CG 3.36Å; L15-R19 PolarHBondContact O-N 2.66Å; L15-R19 VanDerWaalsContact O-N 3.1Å; A16-R19 PolarHBondContact O-N 3.47Å; Q17-R19 VanDerWaalsContact C-N 3.33Å; Q17-R19 PolarHBondContact O-N 3.37Å; R19-R23 VanDerWaalsContact O-CB 3.26Å; R19-R23 WeakPolarHBondContact O-CB 3.26Å; R19-R23 PolarHBondContact O-N 3.01Å
20D96.9Very high96.3Very high68 Ų6897.4 Ų97.436%0.36450%0.503SS..Hα-helixtrans-68.6-40.1178.7-78.2-18.8000112.5A16 Q17 R23 K24A16-D20 PolarHBondContact O-N 3.34Å; Q17-D20 PolarHBondContact O-N 3.42Å; Q17-D20 VanDerWaalsContact O-N 3.17Å; D20-R23 IonicContact OD1-CZ 3.73Å; D20-R23 IonicContact OD1-NE 3.39Å; D20-R23 IonicContact OD1-NH2 2.73Å; D20-R23 PolarHBondContact OD1-NH2 2.96Å; D20-K24 WeakPolarHBondContact O-CG 3.24Å; D20-K24 PolarHBondContact O-N 3.29Å
21T96.6Very high96.4Very high62 Ų6298 Ų9838%0.3850%0.5SS..Hα-helixtrans-65.8-46174.952.80000110.8Q17 E18 R23 K24 L25Q17-T21 WeakPolarHBondContact O-CG2 3.35Å; Q17-T21 PolarHBondContact O-N 2.95Å; Q17-T21 PolarHBondContact O-OG1 2.97Å; E18-T21 VanDerWaalsContact CA-OG1 3.32Å; E18-T21 WeakPolarHBondContact CA-OG1 3.32Å; E18-T21 PolarHBondContact O-OG1 3.2Å; T21-R23 PolarHBondContact O-N 2.94Å; T21-K24 PolarHBondContact O-N 3.27Å; T21-L25 PolarHBondContact O-N 2.92Å
22S96Very high96.5Very high60 Ų6097.6 Ų97.642%0.4250%0.496SS..Hα-helixtrans-59-46.1176.2177.90000111.7E18 K24 L25 L26E18-S22 VanDerWaalsContact O-CB 3.24Å; E18-S22 WeakPolarHBondContact O-CB 3.32Å; E18-S22 PolarHBondContact O-N 3.44Å; S22-K24 PolarHBondContact O-N 3.05Å; S22-L25 PolarHBondContact O-N 3.1Å; S22-L26 WeakPolarHBondContact O-CG 3.45Å; S22-L26 PolarHBondContact O-N 2.86Å
23R97.1Very high96.4Very high170 Ų17096.2 Ų96.264%0.64249%0.491SS*.Hα-helixtrans-61.3-41.1177.1178.1169.156.4166.3-1.4112.9R19 D20 T21 G27R19-R23 VanDerWaalsContact O-CB 3.26Å; R19-R23 WeakPolarHBondContact O-CB 3.26Å; R19-R23 PolarHBondContact O-N 3.01Å; D20-R23 IonicContact OD1-CZ 3.73Å; D20-R23 IonicContact OD1-NE 3.39Å; D20-R23 IonicContact OD1-NH2 2.73Å; D20-R23 PolarHBondContact OD1-NH2 2.96Å; T21-R23 PolarHBondContact O-N 2.94Å; R23-G27 PolarHBondContact O-N 3.03Å
24K97.2Very high96.4Very high152 Ų15295.9 Ų95.966%0.66149%0.488SS*.Hα-helixtrans-64.9-45.4176.2-75.6175-178.9179.80111.6D20 T21 S22 L26 G27 D28D20-K24 WeakPolarHBondContact O-CG 3.24Å; D20-K24 PolarHBondContact O-N 3.29Å; T21-K24 PolarHBondContact O-N 3.27Å; S22-K24 PolarHBondContact O-N 3.05Å; K24-L26 VanDerWaalsContact C-N 3.33Å; K24-L26 PolarHBondContact O-N 3.43Å; K24-G27 PolarHBondContact O-N 3.46Å; K24-D28 PolarHBondContact O-N 2.98Å
25L97.3Very high96.5Very high109 Ų10997.8 Ų97.857%0.57149%0.488SS*.Hα-helixtrans-60.8-43178.7-179.363.3000111.7T21 S22 D28 K29T21-L25 PolarHBondContact O-N 2.92Å; S22-L25 PolarHBondContact O-N 3.1Å; L25-D28 PolarHBondContact O-N 3.49Å; L25-K29 VanDerWaalsContact O-CG 3.26Å; L25-K29 WeakPolarHBondContact O-CG 3.5Å; L25-K29 PolarHBondContact O-N 3.06Å
26L96.5Very high96.4Very high102 Ų10298.3 Ų98.353%0.53449%0.49SS..Hα-helixtrans-60.9-46.6174.6-72.9171.7000111.3S22 K24 D28 K29 D30S22-L26 WeakPolarHBondContact O-CG 3.45Å; S22-L26 PolarHBondContact O-N 2.86Å; K24-L26 VanDerWaalsContact C-N 3.33Å; K24-L26 PolarHBondContact O-N 3.43Å; L26-D28 VanDerWaalsContact C-N 3.32Å; L26-D28 PolarHBondContact O-N 3.1Å; L26-K29 WeakPolarHBondContact O-CB 3.43Å; L26-K29 PolarHBondContact O-N 2.85Å; L26-K29 VanDerWaalsContact O-N 3.1Å; L26-D30 VanDerWaalsContact O-CG 3.31Å; L26-D30 PolarHBondContact O-N 2.77Å
27G97.9Very high96.2Very high37 Ų37102.2 Ų102.238%0.38150%0.501SS..Hα-helixtrans-61-37.4177.300000113.8R23 K24 R31R23-G27 PolarHBondContact O-N 3.03Å; K24-G27 PolarHBondContact O-N 3.46Å; G27-R31 WeakPolarHBondContact O-CB 3.48Å; G27-R31 PolarHBondContact O-N 2.97Å
28D96.5Very high96.1Very high81 Ų8198.8 Ų98.843%0.43350%0.495SS..Hα-helixtrans-66.7-37.8174.3-83.4-38.7000112.3K24 L25 L26 R31 E32K24-D28 PolarHBondContact O-N 2.98Å; L25-D28 PolarHBondContact O-N 3.49Å; L26-D28 VanDerWaalsContact C-N 3.32Å; L26-D28 PolarHBondContact O-N 3.1Å; D28-R31 PolarHBondContact O-N 3.03Å; D28-R31 IonicContact OD1-CZ 2.8Å; D28-R31 IonicContact OD1-NE 3.59Å; D28-R31 IonicContact OD1-NH2 2.62Å; D28-R31 PolarHBondContact OD1-NH2 3.37Å; D28-E32 WeakPolarHBondContact O-CB 3.49Å; D28-E32 PolarHBondContact O-N 3.35Å
29K94.9Very high96Very high100 Ų10098.9 Ų98.944%0.43549%0.493SS..Hα-helixtrans-68.5-42.8176-70-74.2154.4-162.80111.7L25 L26 R31 E32 M33L25-K29 VanDerWaalsContact O-CG 3.26Å; L25-K29 WeakPolarHBondContact O-CG 3.5Å; L25-K29 PolarHBondContact O-N 3.06Å; L26-K29 WeakPolarHBondContact O-CB 3.43Å; L26-K29 PolarHBondContact O-N 2.85Å; L26-K29 VanDerWaalsContact O-N 3.1Å; K29-R31 VanDerWaalsContact C-N 3.29Å; K29-R31 PolarHBondContact O-N 2.96Å; K29-E32 IonicContact NZ-OE2 3.71Å; K29-E32 PolarHBondContact NZ-OE2 2.93Å; K29-E32 PolarHBondContact O-N 2.8Å; K29-M33 WeakPolarHBondContact O-CG 3.26Å; K29-M33 PolarHBondContact O-N 2.97Å
30D95.1Very high95.7Very high92 Ų9295.9 Ų95.949%0.49249%0.488SS..Hα-helixtrans-61.3-39.8175.6-68-21.7000111.4L26 M33 A34L26-D30 VanDerWaalsContact O-CG 3.31Å; L26-D30 PolarHBondContact O-N 2.77Å; D30-M33 HydrophobicContact CB-CE 4.47Å; D30-M33 PolarHBondContact O-N 3.44Å; D30-M33 WeakPolarHBondContact OD1-CE 3.42Å; D30-A34 WeakPolarHBondContact O-CB 3.43Å; D30-A34 PolarHBondContact O-N 3.39Å
31R97.7Very high95.3Very high122 Ų12298.4 Ų98.446%0.4650%0.497SS..Hα-helixtrans-64.6-45.1173.5-178.1-179.153.168.36.4112.1G27 D28 K29 M33 A34 E35G27-R31 WeakPolarHBondContact O-CB 3.48Å; G27-R31 PolarHBondContact O-N 2.97Å; D28-R31 PolarHBondContact O-N 3.03Å; D28-R31 IonicContact OD1-CZ 2.8Å; D28-R31 IonicContact OD1-NE 3.59Å; D28-R31 IonicContact OD1-NH2 2.62Å; D28-R31 PolarHBondContact OD1-NH2 3.37Å; K29-R31 VanDerWaalsContact C-N 3.29Å; K29-R31 PolarHBondContact O-N 2.96Å; R31-M33 VanDerWaalsContact C-N 3.31Å; R31-M33 PolarHBondContact O-N 2.86Å; R31-A34 PolarHBondContact O-N 3.48Å; R31-E35 WeakPolarHBondContact CG-OE1 3.18Å; R31-E35 IonicContact CZ-OE1 3.95Å; R31-E35 IonicContact NH1-OE1 2.65Å; R31-E35 PolarHBondContact NH1-OE1 2.93Å; R31-E35 IonicContact NH1-OE2 3.92Å; R31-E35 WeakPolarHBondContact O-CG 3.48Å; R31-E35 PolarHBondContact O-N 3.01Å
32E96.4Very high95.3Very high88 Ų88101.1 Ų101.141%0.41151%0.506SS..Hα-helixtrans-59.5-42.9176.1-174.3178.2-167.300111.1D28 K29 E35 I36D28-E32 WeakPolarHBondContact O-CB 3.49Å; D28-E32 PolarHBondContact O-N 3.35Å; K29-E32 IonicContact NZ-OE2 3.71Å; K29-E32 PolarHBondContact NZ-OE2 2.93Å; K29-E32 PolarHBondContact O-N 2.8Å; E32-E35 PolarHBondContact O-N 3.28Å; E32-I36 HydrophobicContact CG-CD1 4.12Å; E32-I36 VanDerWaalsContact O-CG1 3.28Å; E32-I36 WeakPolarHBondContact O-CG1 3.47Å; E32-I36 PolarHBondContact O-N 3.45Å
33M93.3Very high95Very high100 Ų100103.5 Ų103.549%0.49351%0.51SS..Hα-helixtrans-62-45.5174.8-71.3-169.5-63.800111.9K29 D30 R31 E35 I36 Q37K29-M33 WeakPolarHBondContact O-CG 3.26Å; K29-M33 PolarHBondContact O-N 2.97Å; D30-M33 HydrophobicContact CB-CE 4.47Å; D30-M33 PolarHBondContact O-N 3.44Å; D30-M33 WeakPolarHBondContact OD1-CE 3.42Å; R31-M33 VanDerWaalsContact C-N 3.31Å; R31-M33 PolarHBondContact O-N 2.86Å; M33-E35 PolarHBondContact O-N 3.25Å; M33-I36 PolarHBondContact O-N 3.42Å; M33-Q37 WeakPolarHBondContact O-CB 3.37Å; M33-Q37 WeakPolarHBondContact O-CG 3.43Å; M33-Q37 PolarHBondContact O-N 2.88Å
34A95.7Very high94.7Very high52 Ų5299.4 Ų99.443%0.4350%0.501SS..Hα-helixtrans-63.3-40.2177.900000112.3D30 R31 Q37 A38D30-A34 WeakPolarHBondContact O-CB 3.43Å; D30-A34 PolarHBondContact O-N 3.39Å; R31-A34 PolarHBondContact O-N 3.48Å; A34-Q37 PolarHBondContact O-N 2.9Å; A34-A38 WeakPolarHBondContact O-CB 3.38Å; A34-A38 PolarHBondContact O-N 3.33Å
35E97.2Very high94.4Very high90 Ų9095.8 Ų95.842%0.42149%0.489SS..Hα-helixtrans-63.4-41.5175.4-74.9174.3-155.900111.9R31 E32 M33 K39R31-E35 WeakPolarHBondContact CG-OE1 3.18Å; R31-E35 IonicContact CZ-OE1 3.95Å; R31-E35 IonicContact NH1-OE1 2.65Å; R31-E35 PolarHBondContact NH1-OE1 2.93Å; R31-E35 IonicContact NH1-OE2 3.92Å; R31-E35 WeakPolarHBondContact O-CG 3.48Å; R31-E35 PolarHBondContact O-N 3.01Å; E32-E35 PolarHBondContact O-N 3.28Å; M33-E35 PolarHBondContact O-N 3.25Å; E35-K39 WeakPolarHBondContact O-CG 3.28Å; E35-K39 PolarHBondContact O-N 3.06Å; E35-K39 VanDerWaalsContact O-N 3.09Å
36I94.3Very high94.2Very high102 Ų10294.5 Ų94.552%0.52348%0.482SS..Hα-helixtrans-66.9-45.2177.1-69.1167.1000110.7E32 M33 A38 K39 M40E32-I36 HydrophobicContact CG-CD1 4.12Å; E32-I36 VanDerWaalsContact O-CG1 3.28Å; E32-I36 WeakPolarHBondContact O-CG1 3.47Å; E32-I36 PolarHBondContact O-N 3.45Å; M33-I36 PolarHBondContact O-N 3.42Å; I36-A38 VanDerWaalsContact C-N 3.34Å; I36-A38 PolarHBondContact O-N 3.02Å; I36-K39 PolarHBondContact O-N 3.4Å; I36-M40 PolarHBondContact O-N 3.41Å
37Q92.7Very high94.1Very high128 Ų12897 Ų9760%0.59849%0.485SS*.Hα-helixtrans-60-43.4176.5-75.7177.5-8.300111.7M33 A34 K39 M40 Q41M33-Q37 WeakPolarHBondContact O-CB 3.37Å; M33-Q37 WeakPolarHBondContact O-CG 3.43Å; M33-Q37 PolarHBondContact O-N 2.88Å; A34-Q37 PolarHBondContact O-N 2.9Å; Q37-K39 PolarHBondContact O-N 2.91Å; Q37-M40 PolarHBondContact O-N 3.2Å; Q37-Q41 PolarHBondContact O-N 3.42Å
38A95.3Very high93.6Very high60 Ų60101.1 Ų101.150%0.49650%0.495SS..Hα-helixtrans-62.1-42.117700000112.2A34 I36 Q41 Q42A34-A38 WeakPolarHBondContact O-CB 3.38Å; A34-A38 PolarHBondContact O-N 3.33Å; I36-A38 VanDerWaalsContact C-N 3.34Å; I36-A38 PolarHBondContact O-N 3.02Å; A38-Q41 PolarHBondContact O-N 3.16Å; A38-Q42 WeakPolarHBondContact O-CB 3.37Å; A38-Q42 PolarHBondContact O-N 2.78Å
39K94.4Very high93.4Very high130 Ų130102 Ų10257%0.56550%0.496SS*.Hα-helixtrans-63.4-42.8175.2-75.2173.8-177.71710112.1E35 I36 Q37 Q41 Q42 Q43E35-K39 WeakPolarHBondContact O-CG 3.28Å; E35-K39 PolarHBondContact O-N 3.06Å; E35-K39 VanDerWaalsContact O-N 3.09Å; I36-K39 PolarHBondContact O-N 3.4Å; Q37-K39 PolarHBondContact O-N 2.91Å; K39-Q41 VanDerWaalsContact C-N 3.35Å; K39-Q42 PolarHBondContact O-N 2.93Å; K39-Q43 WeakPolarHBondContact O-CG 3.12Å; K39-Q43 PolarHBondContact O-N 2.95Å
40M90.6Very high93.4Very high108 Ų108102.4 Ų102.453%0.53250%0.503SS..Hα-helixtrans-60.6-46.4176.9-174.3177.377.400110.9I36 Q37 Q42 Q43 L44I36-M40 PolarHBondContact O-N 3.41Å; Q37-M40 PolarHBondContact O-N 3.2Å; M40-Q42 VanDerWaalsContact C-N 3.31Å; M40-Q42 PolarHBondContact O-N 2.91Å; M40-Q43 PolarHBondContact O-N 3.35Å; M40-L44 PolarHBondContact O-N 2.79Å
41Q89.8Confident93.2Very high122 Ų122101.2 Ų101.257%0.5750%0.496SS*.Hα-helixtrans-62.1-39.8177.3-169.262.336.800112.2Q37 A38 K39 L44 N45Q37-Q41 PolarHBondContact O-N 3.42Å; A38-Q41 PolarHBondContact O-N 3.16Å; K39-Q41 VanDerWaalsContact C-N 3.35Å; Q41-L44 PolarHBondContact O-N 3.43Å; Q41-N45 PolarHBondContact O-N 2.96Å; Q41-N45 VanDerWaalsContact O-N 3.14Å
42Q95.3Very high92.8Very high119 Ų119100 Ų10056%0.55650%0.499SS*.Hα-helixtrans-62.5-45.4175.4-175.4-178.2-18.200111.3A38 K39 M40 L44 N45 D46A38-Q42 WeakPolarHBondContact O-CB 3.37Å; A38-Q42 PolarHBondContact O-N 2.78Å; K39-Q42 PolarHBondContact O-N 2.93Å; M40-Q42 VanDerWaalsContact C-N 3.31Å; M40-Q42 PolarHBondContact O-N 2.91Å; Q42-L44 VanDerWaalsContact C-N 3.33Å; Q42-L44 PolarHBondContact O-N 3.34Å; Q42-N45 PolarHBondContact O-N 3.4Å; Q42-D46 VanDerWaalsContact O-CG 3.3Å; Q42-D46 PolarHBondContact O-N 3.29Å
43Q90.8Very high92.8Very high110 Ų11099.9 Ų99.951%0.51450%0.504SS..Hα-helixtrans-60.5-42.1177.6-72.8-175.2-56.100112.1K39 M40 N45 D46 Y47K39-Q43 WeakPolarHBondContact O-CG 3.12Å; K39-Q43 PolarHBondContact O-N 2.95Å; M40-Q43 PolarHBondContact O-N 3.35Å; Q43-N45 VanDerWaalsContact C-N 3.33Å; Q43-N45 PolarHBondContact O-N 3.34Å; Q43-D46 PolarHBondContact O-N 3.27Å; Q43-Y47 HydrophobicContact CB-CD2 4.46Å; Q43-Y47 HydrophobicContact CB-CE2 4.25Å; Q43-Y47 WeakPolarHBondContact O-CD2 3.17Å; Q43-Y47 PolarHBondContact O-N 3.46Å
44L90.3Very high92.9Very high83 Ų8399.8 Ų99.844%0.43550%0.501SS..Hα-helixtrans-59.3-44.4176.2-71.2174.2000111.9M40 Q41 Q42 Y47 E48M40-L44 PolarHBondContact O-N 2.79Å; Q41-L44 PolarHBondContact O-N 3.43Å; Q42-L44 VanDerWaalsContact C-N 3.33Å; Q42-L44 PolarHBondContact O-N 3.34Å; L44-Y47 PolarHBondContact O-N 3.4Å; L44-E48 PolarHBondContact O-N 3.45Å
45N90.3Very high92.6Very high77 Ų7799.7 Ų99.741%0.41249%0.493SS..Hα-helixtrans-64.5-41176.6-173.85.9000112.1Q41 Q42 Q43 Y47 E48 Q49Q41-N45 PolarHBondContact O-N 2.96Å; Q41-N45 VanDerWaalsContact O-N 3.14Å; Q42-N45 PolarHBondContact O-N 3.4Å; Q43-N45 VanDerWaalsContact C-N 3.33Å; Q43-N45 PolarHBondContact O-N 3.34Å; N45-Y47 VanDerWaalsContact C-N 3.3Å; N45-Y47 PolarHBondContact O-N 2.92Å; N45-E48 PolarHBondContact O-N 2.95Å; N45-Q49 WeakPolarHBondContact O-CG 3.38Å; N45-Q49 PolarHBondContact O-N 3.41Å; N45-Q49 PolarHBondContact O-NE2 3.45Å; N45-Q49 PolarHBondContact OD1-NE2 2.95Å
46D93.7Very high92.4Very high82 Ų8297.7 Ų97.744%0.43949%0.491SS..Hα-helixtrans-64-37.3176.3-67.5-15.8000111.3Q42 Q43 L50Q42-D46 VanDerWaalsContact O-CG 3.3Å; Q42-D46 PolarHBondContact O-N 3.29Å; Q43-D46 PolarHBondContact O-N 3.27Å; D46-L50 WeakPolarHBondContact O-CB 3.39Å; D46-L50 PolarHBondContact O-N 3.09Å
47Y94.4Very high92.4Very high153 Ų15396.9 Ų96.960%0.649%0.488SS*.Hα-helixtrans-67.6-42.4174.5-75.9-59.1000112.7Q43 L44 N45 L50 L51Q43-Y47 HydrophobicContact CB-CD2 4.46Å; Q43-Y47 HydrophobicContact CB-CE2 4.25Å; Q43-Y47 WeakPolarHBondContact O-CD2 3.17Å; Q43-Y47 PolarHBondContact O-N 3.46Å; L44-Y47 PolarHBondContact O-N 3.4Å; N45-Y47 VanDerWaalsContact C-N 3.3Å; N45-Y47 PolarHBondContact O-N 2.92Å; Y47-L50 PolarHBondContact O-N 2.89Å; Y47-L51 PolarHBondContact O-N 2.88Å
48E87.7Confident92.3Very high124 Ų12493.6 Ų93.658%0.57947%0.474SS*.Hα-helixtrans-59-48.1175.4-173.8-179.2174.200111L44 N45 L50 L51 D52L44-E48 PolarHBondContact O-N 3.45Å; N45-E48 PolarHBondContact O-N 2.95Å; E48-L50 VanDerWaalsContact C-N 3.29Å; E48-L50 PolarHBondContact O-N 3.33Å; E48-L51 WeakPolarHBondContact O-CB 3.36Å; E48-L51 PolarHBondContact O-N 2.62Å; E48-L51 VanDerWaalsContact O-N 3.17Å; E48-D52 PolarHBondContact O-N 2.94Å
49Q90.9Very high92Very high99 Ų9997.4 Ų97.446%0.46348%0.484SS..Hα-helixtrans-60.9-37.9175.4-71.81725500112.7N45 D52 V53N45-Q49 WeakPolarHBondContact O-CG 3.38Å; N45-Q49 PolarHBondContact O-N 3.41Å; N45-Q49 PolarHBondContact O-NE2 3.45Å; N45-Q49 PolarHBondContact OD1-NE2 2.95Å; Q49-D52 PolarHBondContact O-N 3.28Å; Q49-V53 WeakPolarHBondContact O-CG2 3.42Å; Q49-V53 PolarHBondContact O-N 3.34Å; Q49-V53 VanDerWaalsContact O-N 3.1Å
50L96.2Very high92Very high109 Ų10995.9 Ų95.957%0.57148%0.479SS*.Hα-helixtrans-68.7-38177.5-176.161.5000111.7D46 Y47 E48 V53 K54D46-L50 WeakPolarHBondContact O-CB 3.39Å; D46-L50 PolarHBondContact O-N 3.09Å; Y47-L50 PolarHBondContact O-N 2.89Å; E48-L50 VanDerWaalsContact C-N 3.29Å; E48-L50 PolarHBondContact O-N 3.33Å; L50-V53 PolarHBondContact O-N 2.81Å; L50-K54 WeakPolarHBondContact O-CB 3.42Å; L50-K54 PolarHBondContact O-N 2.93Å
51L91.5Very high92.1Very high68 Ų6894.4 Ų94.436%0.35647%0.472SS..Hα-helixtrans-61.3-46.4173.6-18062.3000110.9Y47 E48 V53 K54 L55Y47-L51 PolarHBondContact O-N 2.88Å; E48-L51 WeakPolarHBondContact O-CB 3.36Å; E48-L51 PolarHBondContact O-N 2.62Å; E48-L51 VanDerWaalsContact O-N 3.17Å; L51-V53 VanDerWaalsContact C-N 3.33Å; L51-V53 PolarHBondContact O-N 2.76Å; L51-K54 CarbonylContact O-C 3.59Å; L51-K54 WeakPolarHBondContact O-CA 3.46Å; L51-K54 WeakPolarHBondContact O-CB 3.37Å; L51-K54 PolarHBondContact O-N 2.82Å; L51-L55 HydrophobicContact CD1-CG 4.47Å; L51-L55 HydrophobicContact CG-CD1 4.35Å; L51-L55 WeakPolarHBondContact O-CG 3.47Å; L51-L55 PolarHBondContact O-N 2.85Å
52D88.8Confident92.1Very high97 Ų9792.2 Ų92.252%0.51946%0.464SS..Hα-helixtrans-55.9-47.1175.7-80.8-14.2000112E48 Q49 K54 L55 A56E48-D52 PolarHBondContact O-N 2.94Å; Q49-D52 PolarHBondContact O-N 3.28Å; D52-K54 VanDerWaalsContact C-N 3.31Å; D52-K54 PolarHBondContact O-N 2.65Å; D52-L55 PolarHBondContact O-N 3Å; D52-A56 PolarHBondContact O-N 2.82Å
53V95.8Very high91.9Very high84 Ų8489.4 Ų89.451%0.50946%0.461SS..Hα-helixtrans-61.1-41.9176.3171.70000110.8Q49 L50 L51 A56 L57Q49-V53 WeakPolarHBondContact O-CG2 3.42Å; Q49-V53 PolarHBondContact O-N 3.34Å; Q49-V53 VanDerWaalsContact O-N 3.1Å; L50-V53 PolarHBondContact O-N 2.81Å; L51-V53 VanDerWaalsContact C-N 3.33Å; L51-V53 PolarHBondContact O-N 2.76Å; V53-A56 PolarHBondContact O-N 2.9Å; V53-L57 HydrophobicContact CG1-CD1 4.18Å; V53-L57 WeakPolarHBondContact O-CG 3.35Å; V53-L57 PolarHBondContact O-N 2.89Å
54K95.7Very high92.1Very high98 Ų9891.4 Ų91.443%0.42647%0.465SS..Hα-helixtrans-63.5-42.6177.6178.6-91.9171.2-173.90111.7L50 L51 D52 A56 L57 D58L50-K54 WeakPolarHBondContact O-CB 3.42Å; L50-K54 PolarHBondContact O-N 2.93Å; L51-K54 CarbonylContact O-C 3.59Å; L51-K54 WeakPolarHBondContact O-CA 3.46Å; L51-K54 WeakPolarHBondContact O-CB 3.37Å; L51-K54 PolarHBondContact O-N 2.82Å; D52-K54 VanDerWaalsContact C-N 3.31Å; D52-K54 PolarHBondContact O-N 2.65Å; K54-A56 VanDerWaalsContact C-N 3.34Å; K54-L57 PolarHBondContact O-N 3.34Å; K54-D58 WeakPolarHBondContact CE-OD2 3.35Å; K54-D58 IonicContact NZ-OD2 3.2Å; K54-D58 PolarHBondContact NZ-OD2 3.06Å; K54-D58 PolarHBondContact O-N 2.94Å
55L89.3Confident92.1Very high51 Ų5194.7 Ų94.727%0.26747%0.471SS..Hα-helixtrans-63.1-42.3177.2-70174.4000111.1L51 D52 L57 D58 M59L51-L55 HydrophobicContact CD1-CG 4.47Å; L51-L55 HydrophobicContact CG-CD1 4.35Å; L51-L55 WeakPolarHBondContact O-CG 3.47Å; L51-L55 PolarHBondContact O-N 2.85Å; D52-L55 PolarHBondContact O-N 3Å; L55-L57 PolarHBondContact O-N 2.98Å; L55-D58 PolarHBondContact O-N 3.44Å; L55-M59 WeakPolarHBondContact O-CG 3.29Å; L55-M59 PolarHBondContact O-N 2.93Å
56A92.4Very high92Very high47 Ų4798.2 Ų98.239%0.38848%0.483SS..Hα-helixtrans-59.3-45.2173.900000111.9D52 V53 K54 D58 M59 E60D52-A56 PolarHBondContact O-N 2.82Å; V53-A56 PolarHBondContact O-N 2.9Å; K54-A56 VanDerWaalsContact C-N 3.34Å; A56-D58 PolarHBondContact O-N 2.88Å; A56-M59 WeakPolarHBondContact O-CB 3.41Å; A56-M59 PolarHBondContact O-N 2.78Å; A56-E60 WeakPolarHBondContact O-CG 3.22Å; A56-E60 PolarHBondContact O-N 3.4Å
57L94.8Very high91.7Very high85 Ų8599.5 Ų99.545%0.44549%0.49SS..Hα-helixtrans-63.6-40177.2-71.3173.3000112.6V53 K54 L55 M59 E60 I61V53-L57 HydrophobicContact CG1-CD1 4.18Å; V53-L57 WeakPolarHBondContact O-CG 3.35Å; V53-L57 PolarHBondContact O-N 2.89Å; K54-L57 PolarHBondContact O-N 3.34Å; L55-L57 PolarHBondContact O-N 2.98Å; L57-M59 VanDerWaalsContact C-N 3.31Å; L57-M59 PolarHBondContact O-N 3.26Å; L57-E60 WeakPolarHBondContact O-CB 3.25Å; L57-E60 PolarHBondContact O-N 3.08Å; L57-I61 VanDerWaalsContact O-CG1 3.29Å; L57-I61 WeakPolarHBondContact O-CG1 3.36Å; L57-I61 PolarHBondContact O-N 3.03Å
58D90.6Very high91.2Very high60 Ų6097 Ų9732%0.32149%0.486SS..Hα-helixtrans-64.1-38.2175.4-83.7-2.6000112.1K54 L55 A56 I61 N62K54-D58 WeakPolarHBondContact CE-OD2 3.35Å; K54-D58 IonicContact NZ-OD2 3.2Å; K54-D58 PolarHBondContact NZ-OD2 3.06Å; K54-D58 PolarHBondContact O-N 2.94Å; L55-D58 PolarHBondContact O-N 3.44Å; A56-D58 PolarHBondContact O-N 2.88Å; D58-I61 PolarHBondContact O-N 3.44Å; D58-N62 WeakPolarHBondContact O-CB 3.13Å; D58-N62 VanDerWaalsContact O-CG 3.29Å; D58-N62 PolarHBondContact O-N 2.87Å; D58-N62 PolarHBondContact O-ND2 2.82Å
59M88.5Confident90.8Very high140 Ų14096.4 Ų96.469%0.6948%0.483SS*.Hα-helixtrans-62.3-43.5172.6-71.2175.459.500111.3L55 A56 L57 N62 A63L55-M59 WeakPolarHBondContact O-CG 3.29Å; L55-M59 PolarHBondContact O-N 2.93Å; A56-M59 WeakPolarHBondContact O-CB 3.41Å; A56-M59 PolarHBondContact O-N 2.78Å; L57-M59 VanDerWaalsContact C-N 3.31Å; L57-M59 PolarHBondContact O-N 3.26Å; M59-N62 PolarHBondContact O-N 3.07Å; M59-A63 WeakPolarHBondContact O-CB 3.23Å; M59-A63 PolarHBondContact O-N 3.07Å
60E94.4Very high89.8Confident98 Ų9893.5 Ų93.546%0.45848%0.48SS..Hα-helixtrans-62.1-48.4175.8-72.7-177.7-168.300111.8A56 L57 N62 A63 Y64A56-E60 WeakPolarHBondContact O-CG 3.22Å; A56-E60 PolarHBondContact O-N 3.4Å; L57-E60 WeakPolarHBondContact O-CB 3.25Å; L57-E60 PolarHBondContact O-N 3.08Å; E60-N62 VanDerWaalsContact C-N 3.3Å; E60-N62 PolarHBondContact O-N 3.28Å; E60-A63 WeakPolarHBondContact O-CA 3.25Å; E60-A63 WeakPolarHBondContact O-CB 3.16Å; E60-A63 PolarHBondContact O-N 2.92Å; E60-A63 VanDerWaalsContact O-N 3.08Å; E60-Y64 HydrophobicContact CB-CD2 4.39Å; E60-Y64 HydrophobicContact CB-CE2 4.03Å; E60-Y64 WeakPolarHBondContact O-CD2 3.45Å; E60-Y64 PolarHBondContact O-N 3.26Å
61I92.6Very high88.5Confident76 Ų7693 Ų9339%0.3948%0.475SS..Hα-helixtrans-57.6-44.9177.6-70.1165.9000110.6L57 D58 A63 Y64 R65L57-I61 VanDerWaalsContact O-CG1 3.29Å; L57-I61 WeakPolarHBondContact O-CG1 3.36Å; L57-I61 PolarHBondContact O-N 3.03Å; D58-I61 PolarHBondContact O-N 3.44Å; I61-A63 VanDerWaalsContact C-N 3.33Å; I61-A63 PolarHBondContact O-N 3.44Å; I61-Y64 PolarHBondContact O-N 3.35Å; I61-R65 WeakPolarHBondContact O-CG 3.19Å; I61-R65 PolarHBondContact O-N 3.45Å
62N91.3Very high87.2Confident77 Ų7795.5 Ų95.541%0.41248%0.484SS..Hα-helixtrans-65.7-36177.6-76.5-44.1000112.4D58 M59 E60 K66D58-N62 WeakPolarHBondContact O-CB 3.13Å; D58-N62 VanDerWaalsContact O-CG 3.29Å; D58-N62 PolarHBondContact O-N 2.87Å; D58-N62 PolarHBondContact O-ND2 2.82Å; M59-N62 PolarHBondContact O-N 3.07Å; E60-N62 VanDerWaalsContact C-N 3.3Å; E60-N62 PolarHBondContact O-N 3.28Å; N62-K66 WeakPolarHBondContact O-CG 3.29Å; N62-K66 PolarHBondContact O-N 3.14Å; N62-K66 VanDerWaalsContact O-N 3.09Å
63A90.9Very high86Confident59 Ų5996 Ų9649%0.48848%0.484SS..Hα-helixtrans-64.6-43.8173.100000111.3M59 E60 I61 K66 L67M59-A63 WeakPolarHBondContact O-CB 3.23Å; M59-A63 PolarHBondContact O-N 3.07Å; E60-A63 WeakPolarHBondContact O-CA 3.25Å; E60-A63 WeakPolarHBondContact O-CB 3.16Å; E60-A63 PolarHBondContact O-N 2.92Å; E60-A63 VanDerWaalsContact O-N 3.08Å; I61-A63 VanDerWaalsContact C-N 3.33Å; I61-A63 PolarHBondContact O-N 3.44Å; A63-K66 PolarHBondContact O-N 3.05Å; A63-L67 PolarHBondContact O-N 2.92Å
64Y94.2Very high84.5Confident152 Ų152100.3 Ų100.360%0.59649%0.491SS*.Hα-helixtrans-63.7-42.4176.6-68.9-56.6000112.3E60 I61 L67 L68E60-Y64 HydrophobicContact CB-CD2 4.39Å; E60-Y64 HydrophobicContact CB-CE2 4.03Å; E60-Y64 WeakPolarHBondContact O-CD2 3.45Å; E60-Y64 PolarHBondContact O-N 3.26Å; I61-Y64 PolarHBondContact O-N 3.35Å; Y64-L67 PolarHBondContact O-N 3.02Å; Y64-L68 PolarHBondContact O-N 3.22Å; Y64-L68 VanDerWaalsContact O-N 3.11Å
65R91.2Very high82.6Confident152 Ų152104.7 Ų104.757%0.57451%0.505SS*.Hα-helixtrans-58.6-48.8174.7-74.4175.8178.4169.50111.9I61 L67 L68 E69I61-R65 WeakPolarHBondContact O-CG 3.19Å; I61-R65 PolarHBondContact O-N 3.45Å; R65-L67 VanDerWaalsContact C-N 3.29Å; R65-L67 PolarHBondContact O-N 3.03Å; R65-L68 PolarHBondContact O-N 3.21Å; R65-E69 WeakPolarHBondContact O-CG 3.27Å; R65-E69 PolarHBondContact O-N 3.44Å
66K88.1Confident81.1Confident152 Ų152108.8 Ų108.866%0.66153%0.526SS*.Hα-helixtrans-61.7-35178.4-76176.4179.3172.30113.2N62 A63 G70N62-K66 WeakPolarHBondContact O-CG 3.29Å; N62-K66 PolarHBondContact O-N 3.14Å; N62-K66 VanDerWaalsContact O-N 3.09Å; A63-K66 PolarHBondContact O-N 3.05Å; K66-G70 PolarHBondContact O-N 3.42Å; K66-G70 VanDerWaalsContact O-N 3.15Å
67L86.4Confident79.6Confident109 Ų109113.9 Ų113.957%0.57154%0.54SS*.Hα-helixtrans-67.4-44.1176.7-17561.9000111.2A63 Y64 R65 G70 E71A63-L67 PolarHBondContact O-N 2.92Å; Y64-L67 PolarHBondContact O-N 3.02Å; R65-L67 VanDerWaalsContact C-N 3.29Å; R65-L67 PolarHBondContact O-N 3.03Å; L67-G70 PolarHBondContact O-N 3.41Å; L67-E71 PolarHBondContact O-N 3.01Å; L67-E71 VanDerWaalsContact O-N 3.08Å
68L83.9Confident77.7Confident101 Ų101115.6 Ų115.653%0.52955%0.549SS..Hα-helixtrans-62.8-45.3176.3-106.166.9000112.2Y64 R65 G70 E71 E72Y64-L68 PolarHBondContact O-N 3.22Å; Y64-L68 VanDerWaalsContact O-N 3.11Å; R65-L68 PolarHBondContact O-N 3.21Å; L68-G70 VanDerWaalsContact C-N 3.26Å; L68-G70 PolarHBondContact O-N 2.94Å; L68-E71 PolarHBondContact O-N 2.81Å; L68-E71 VanDerWaalsContact O-N 3.08Å; L68-E72 WeakPolarHBondContact O-CG 3.4Å; L68-E72 PolarHBondContact O-N 2.86Å
69E79.1Confident75.4Confident111 Ų111117.1 Ų117.152%0.51956%0.564SS.*Hα-helixtrans-56.9-41.2175.3-72.1168.8-169.900111.4R65 E71 E72 E73R65-E69 WeakPolarHBondContact O-CG 3.27Å; R65-E69 PolarHBondContact O-N 3.44Å; E69-E71 PolarHBondContact O-N 2.86Å; E69-E72 PolarHBondContact O-N 3.28Å; E69-E73 PolarHBondContact O-N 2.78Å
70G69.4Low73.4Confident38 Ų38116 Ų11639%0.39257%0.567SS.*Hα-helixtrans-68.5-28.7176.800000114.5K66 L67 L68K66-G70 PolarHBondContact O-N 3.42Å; K66-G70 VanDerWaalsContact O-N 3.15Å; L67-G70 PolarHBondContact O-N 3.41Å; L68-G70 VanDerWaalsContact C-N 3.26Å; L68-G70 PolarHBondContact O-N 2.94Å
71E69.2Low70.9Confident99 Ų99116 Ų11646%0.46358%0.578SS.*Hα-helixtrans-73.9-47.5171.3-71.8-169.9167.500111L67 L68 E69 E73 R74 W75L67-E71 PolarHBondContact O-N 3.01Å; L67-E71 VanDerWaalsContact O-N 3.08Å; L68-E71 PolarHBondContact O-N 2.81Å; L68-E71 VanDerWaalsContact O-N 3.08Å; E69-E71 PolarHBondContact O-N 2.86Å; E71-E73 VanDerWaalsContact C-N 3.29Å; E71-E73 PolarHBondContact O-N 2.81Å; E71-R74 CarbonylContact O-C 3.58Å; E71-R74 WeakPolarHBondContact O-CA 3.34Å; E71-R74 VanDerWaalsContact O-CB 3.32Å; E71-R74 WeakPolarHBondContact O-CB 3.27Å; E71-R74 PolarHBondContact O-N 2.99Å; E71-W75 PolarHBondContact O-N 2.83Å
72E65.4Low68.7Low119 Ų119118.6 Ų118.656%0.55660%0.6SS**Hα-helixtrans-57.2-40.8178.5-71.2-179.4176.200112.2L68 E69 R74 W75 L76L68-E72 WeakPolarHBondContact O-CG 3.4Å; L68-E72 PolarHBondContact O-N 2.86Å; E69-E72 PolarHBondContact O-N 3.28Å; E72-R74 VanDerWaalsContact C-N 3.28Å; E72-R74 PolarHBondContact O-N 3.27Å; E72-W75 PolarHBondContact O-N 2.84Å; E72-L76 WeakPolarHBondContact O-CB 3.39Å; E72-L76 VanDerWaalsContact O-CG 3.28Å; E72-L76 WeakPolarHBondContact O-CG 3.41Å; E72-L76 PolarHBondContact O-N 2.98Å
73E62.4Low66.1Low108 Ų108120 Ų12051%0.50562%0.615SS.*Hα-helixtrans-62.1-33.5173.1-79-166.7-161.700113.6E69 E71 K77E69-E73 PolarHBondContact O-N 2.78Å; E71-E73 VanDerWaalsContact C-N 3.29Å; E71-E73 PolarHBondContact O-N 2.81Å; E73-K77 WeakPolarHBondContact O-CB 3.49Å; E73-K77 VanDerWaalsContact O-CD 3.3Å; E73-K77 WeakPolarHBondContact O-CD 3.43Å; E73-K77 VanDerWaalsContact O-CG 3.23Å; E73-K77 WeakPolarHBondContact O-CG 3.24Å; E73-K77 PolarHBondContact O-N 3.38Å; E73-K77 IonicContact OE2-NZ 3.85Å; E73-K77 PolarHBondContact OE2-NZ 2.83Å
74R64.6Low63.8Low174 Ų174121.9 Ų121.966%0.65763%0.625SS**Hα-helixtrans-74.4-40.3176.3-169.7-171.3-59.5-90.9-1.1110.7E71 E72 K77 L78E71-R74 CarbonylContact O-C 3.58Å; E71-R74 WeakPolarHBondContact O-CA 3.34Å; E71-R74 VanDerWaalsContact O-CB 3.32Å; E71-R74 WeakPolarHBondContact O-CB 3.27Å; E71-R74 PolarHBondContact O-N 2.99Å; E72-R74 VanDerWaalsContact C-N 3.28Å; E72-R74 PolarHBondContact O-N 3.27Å; R74-K77 PolarHBondContact O-N 2.85Å; R74-L78 HydrophobicContact CG-CD1 4.02Å; R74-L78 WeakPolarHBondContact O-CB 3.33Å; R74-L78 WeakPolarHBondContact O-CD1 3.4Å; R74-L78 VanDerWaalsContact O-CG 3.24Å; R74-L78 WeakPolarHBondContact O-CG 3.4Å; R74-L78 PolarHBondContact O-N 2.85Å
75W55.8Low61.1Low190 Ų190123.6 Ų123.672%0.7264%0.639SS**Hα-helixtrans-63.8-41.1174.2-74.1103.9000111.8E71 E72 K77 L78E71-W75 PolarHBondContact O-N 2.83Å; E72-W75 PolarHBondContact O-N 2.84Å; W75-K77 VanDerWaalsContact C-N 3.29Å; W75-K77 PolarHBondContact O-N 2.8Å; W75-L78 PolarHBondContact O-N 2.74Å
76L58.4Low58.5Low138 Ų138122.3 Ų122.372%0.72365%0.647SS**Hα-helixtrans-63.4-32.9175-75.6166.6000112.8E72E72-L76 WeakPolarHBondContact O-CB 3.39Å; E72-L76 VanDerWaalsContact O-CG 3.28Å; E72-L76 WeakPolarHBondContact O-CG 3.41Å; E72-L76 PolarHBondContact O-N 2.98Å
77K61.5Low56.2Low153 Ų153121.8 Ų121.867%0.66566%0.657SS**THydrogen-bonded Turntrans-83.2-8177.5-69.8165.8-171.2155.60113.7E73 R74 W75E73-K77 WeakPolarHBondContact O-CB 3.49Å; E73-K77 VanDerWaalsContact O-CD 3.3Å; E73-K77 WeakPolarHBondContact O-CD 3.43Å; E73-K77 VanDerWaalsContact O-CG 3.23Å; E73-K77 WeakPolarHBondContact O-CG 3.24Å; E73-K77 PolarHBondContact O-N 3.38Å; E73-K77 IonicContact OE2-NZ 3.85Å; E73-K77 PolarHBondContact OE2-NZ 2.83Å; R74-K77 PolarHBondContact O-N 2.85Å; W75-K77 VanDerWaalsContact C-N 3.29Å; W75-K77 PolarHBondContact O-N 2.8Å
78L53.7Low54.3Low121 Ų121122 Ų12263%0.63466%0.662SS**THydrogen-bonded Turntrans-106.95.7-178.4-72.1172000114.2R74 W75 P80R74-L78 HydrophobicContact CG-CD1 4.02Å; R74-L78 WeakPolarHBondContact O-CB 3.33Å; R74-L78 WeakPolarHBondContact O-CD1 3.4Å; R74-L78 VanDerWaalsContact O-CG 3.24Å; R74-L78 WeakPolarHBondContact O-CG 3.4Å; R74-L78 PolarHBondContact O-N 2.85Å; W75-L78 PolarHBondContact O-N 2.74Å; L78-P80 VanDerWaalsContact C-CD 3.44Å; L78-P80 WeakPolarHBondContact O-CD 3.42Å
79S43.2Very low52.1Low92 Ų92123 Ų12364%0.64368%0.678SS**  trans-98.691170.2-170.20000111.2S81S79-S81 PolarHBondContact O-N 2.78Å; S79-S81 VanDerWaalsContact O-N 3.12Å
80P46.2Very low50.3Low117 Ų117129.1 Ų129.176%0.7670%0.696SS**  trans-73.596.9161.728.8-29000108.2L78L78-P80 VanDerWaalsContact C-CD 3.44Å; L78-P80 WeakPolarHBondContact O-CD 3.42Å
81S41.3Very low48.6Very low99 Ų99132.3 Ų132.369%0.69272%0.719SS**  trans-62125.2164.1-178.90000109.3S79 S83S79-S81 PolarHBondContact O-N 2.78Å; S79-S81 VanDerWaalsContact O-N 3.12Å; S81-S83 PolarHBondContact O-N 3.33Å
82P46.3Very low47.2Very low129 Ų129132.9 Ų132.984%0.83873%0.734SS**  trans-86.394.5177.433.6-27.9000108.5
83S37.5Very low45.9Very low106 Ų106132.5 Ų132.574%0.74174%0.744SS**  trans-112.8105.8159.6-1730000108.9S81 H85S81-S83 PolarHBondContact O-N 3.33Å; S83-H85 PolarHBondContact O-N 2.98Å
84S41.9Very low44.8Very low100 Ų100132.1 Ų132.170%0.69975%0.754SS**  trans-47.2121.2168.5470000112.3
85H37.6Very low44Very low188 Ų188129.6 Ų129.687%0.8776%0.763SS**  -152.6118.1127-107.1-75.6000110S83S83-H85 PolarHBondContact O-N 2.98Å
86V37.4Very low43.3Very low125 Ų125131.5 Ų131.576%0.75877%0.77SS**  trans-67.3122.3169.1165.40000108.9
87T39.7Very low42.3Very low141 Ų141130 Ų13087%0.86577%0.771SS**  trans-142.4122.8137.745.40000109.2
88V46.4Very low41.6Very low113 Ų113129 Ų12969%0.68578%0.777SS**  trans-78.6131.2177177.30000108.4
89S37.5Very low40.9Very low123 Ų123133.3 Ų133.386%0.8679%0.785SS**  trans-157.3127.5142.6-83.50000111.3
90R41.3Very low41.1Very low238 Ų238135.2 Ų135.290%0.89879%0.793SS**  trans-84.9137-179.8-61.7163.7160.7165.5-7.2109
91A34Very low40.6Very low105 Ų105135.1 Ų135.187%0.86879%0.79SS**  -175.6146.8128.300000111.6
92S39.5Very low41.1Very low112 Ų112140.1 Ų140.178%0.78380%0.803SS**  trans-72.6168.1-164.5-45.70000116.6
93S38.8Very low40.6Very low110 Ų110137.2 Ų137.277%0.76980%0.797SS**  trans91.1106.1144.574.40000118.5
94S37.6Very low40.9Very low100 Ų100142.1 Ų142.170%0.69980%0.804SS**  178.6115.4100.9-82.70000111.3
95S48.7Very low41Very low121 Ų121148.9 Ų148.985%0.84682%0.815SS**  trans-51.4122.8162.236.50000113.1
96R40.9Very low41Very low231 Ų231148.8 Ų148.887%0.87281%0.812SS**  trans-149.496.9156.6-64.7-171.2175.5143.7-1.1108.1
97S37Very low41.2Very low106 Ų106154.2 Ų154.274%0.74182%0.819SS**  80.3105.793.3-165.10000112.9
98V47.1Very low41.4Very low131 Ų131154.1 Ų154.179%0.79481%0.812SS**  trans-62.7124.7165.2176.40000108.5
99R37.9Very low40.9Very low212 Ų212155.6 Ų155.680%0.882%0.815SS**  trans-137.3108.5156.3-65.3-170.694.1-169.26109.9
100T48.5Very low41.3Very low133 Ų133154.6 Ų154.682%0.81680%0.804SS**  trans-64.2118.6154.549.50000108.6
101T35.7Very low41.5Very low114 Ų114150.3 Ų150.370%0.69979%0.794SS**  trans-140124.5162.850.50000109.4G103T101-G103 PolarHBondContact O-N 2.96Å; T101-G103 VanDerWaalsContact O-N 3.14Å
102Q50.9Low41.7Very low204 Ų204151.9 Ų151.995%0.95378%0.783SS**  trans-38.3109176-71.3167.4-5500112.8
103G37Very low41.7Very low69 Ų69154.3 Ų154.371%0.71178%0.782SS**  trans-81.911015900000108.6T101 R105T101-G103 PolarHBondContact O-N 2.96Å; T101-G103 VanDerWaalsContact O-N 3.14Å; G103-R105 PolarHBondContact O-N 3.06Å
104K42.4Very low42Very low208 Ų208155 Ų15590%0.90477%0.773SS**  trans-49.1107.6166.8-83.5172.6167.8177.40108.6K106K104-K106 PolarHBondContact O-N 3.1Å
105R44.1Very low42Very low242 Ų242154.3 Ų154.391%0.91377%0.774SS**  trans-63103.4163.3-76.9-179.6168.9172.6-4.1106.4G103 R107G103-R105 PolarHBondContact O-N 3.06Å; R105-R107 VanDerWaalsContact C-N 3.33Å; R105-R107 PolarHBondContact O-N 3.4Å
106K39.1Very low42Very low187 Ų187153 Ų15381%0.81377%0.765SS**  trans-62.5101.2163.9-171.9178.5179-173.90105.3K104 I108K104-K106 PolarHBondContact O-N 3.1Å; K106-I108 PolarHBondContact O-N 3.39Å
107R41.4Very low42.6Very low238 Ų238145.3 Ų145.390%0.89875%0.746SS**  trans-52.6110161.5-102-179.9168.7172.1-6.1104.9R105 D109R105-R107 VanDerWaalsContact C-N 3.33Å; R105-R107 PolarHBondContact O-N 3.4Å; R107-D109 VanDerWaalsContact C-N 3.31Å; R107-D109 PolarHBondContact O-N 3.17Å
108I42.6Very low43.9Very low140 Ų140143.2 Ų143.272%0.71873%0.732SS**  trans-77.4102.3161.2-62.6164.4000102K106 V110K106-I108 PolarHBondContact O-N 3.39Å; I108-V110 HydrophobicContact CG2-CG2 4.27Å; I108-V110 PolarHBondContact O-N 3.46Å; I108-V110 VanDerWaalsContact O-N 3.14Å
109D37Very low45Very low143 Ų143140.5 Ų140.577%0.76572%0.715SS**  trans-65.3102.3166.8-157.322.9000104.9R107 E111R107-D109 VanDerWaalsContact C-N 3.31Å; R107-D109 PolarHBondContact O-N 3.17Å; D109-E111 VanDerWaalsContact C-N 3.26Å; D109-E111 PolarHBondContact O-N 2.89Å
110V45.7Very low47.2Very low102 Ų102133.4 Ų133.462%0.61870%0.699SS**  trans-80.695.1166.6-175.20000102.8I108 E112I108-V110 HydrophobicContact CG2-CG2 4.27Å; I108-V110 PolarHBondContact O-N 3.46Å; I108-V110 VanDerWaalsContact O-N 3.14Å; V110-E112 HydrophobicContact CG1-CG 3.73Å; V110-E112 PolarHBondContact O-N 3.33Å
111E45.8Very low49.1Very low149 Ų149130.5 Ų130.570%0.69668%0.677SS**  trans-64.683.5164.1-167.3179.8143.600105.7D109 Q113D109-E111 VanDerWaalsContact C-N 3.26Å; D109-E111 PolarHBondContact O-N 2.89Å; E111-Q113 PolarHBondContact O-N 3.21Å
112E37.3Very low51.6Low137 Ų137127.1 Ų127.164%0.6466%0.66SS**  trans-66.993.7165.9-72.7-174.3141.300105.6V110 E114V110-E112 HydrophobicContact CG1-CG 3.73Å; V110-E112 PolarHBondContact O-N 3.33Å; E112-E114 PolarHBondContact O-N 2.96Å
113Q39.4Very low53.5Low163 Ų163121.6 Ų121.676%0.76264%0.635SS**  trans-64.685.5160.7-72.5-173.9-28.500107.2E111 A115E111-Q113 PolarHBondContact O-N 3.21Å; Q113-A115 PolarHBondContact O-N 3.44Å
114E44.8Very low56.2Low124 Ų124121.9 Ų121.958%0.57963%0.626SS**  trans-70.880.4159.2-70.7-16314700107.7E112 S116E112-E114 PolarHBondContact O-N 2.96Å; E114-S116 PolarHBondContact O-N 2.95Å
115A39.3Very low58.7Low87 Ų87115.2 Ų115.272%0.71961%0.61SS**  trans-70.781.915500000106.6Q113 S117Q113-A115 PolarHBondContact O-N 3.44Å; A115-S117 PolarHBondContact O-N 3.45Å
116S48.2Very low61.1Low93 Ų93106.9 Ų106.965%0.6559%0.588SS**  trans-75.266.3172.5-151.10000108.6E114 S118E114-S116 PolarHBondContact O-N 2.95Å; S116-S118 PolarHBondContact O-N 2.79Å
117S53Low63.9Low69 Ų69100.4 Ų100.448%0.48357%0.569SS.*  trans-58.9113.4165.766.40000106.8A115 V119A115-S117 PolarHBondContact O-N 3.45Å; S117-V119 PolarHBondContact O-N 3.09Å
118S64Low66.4Low63 Ų6395 Ų9544%0.44156%0.564SS.*  trans-74.383.818047.80000108.9S116 S120 A238S116-S118 PolarHBondContact O-N 2.79Å; S118-S120 PolarHBondContact O-N 3.44Å; S118-A238 WeakPolarHBondContact O-CB 2.98Å; S118-A238 PolarHBondContact O-N 2.83Å; S118-A238 VanDerWaalsContact O-N 3.14Å; S118-A238 WeakPolarHBondContact OG-CB 3.33Å
119V71.6Confident68.7Low73 Ų7390 Ų9044%0.44255%0.546SS..EExtended strand (participates in β ladder)trans-77.2116.7171.763.10000108.9S117 Y235 K236S117-V119 PolarHBondContact O-N 3.09Å; V119-Y235 HydrophobicContact CG2-CD1 4.17Å; V119-K236 CarbonylContact C-O 3.6Å; V119-K236 WeakPolarHBondContact CA-O 3.48Å
120S83.1Confident71.4Confident64 Ų6485.7 Ų85.745%0.44853%0.526SS..EExtended strand (participates in β ladder)trans-98.6134.2172.5630000110.4S118 K236S118-S120 PolarHBondContact O-N 3.44Å; S120-K236 PolarHBondContact N-O 3Å; S120-K236 PolarHBondContact O-N 2.98Å; S120-K236 WeakPolarHBondContact OG-CB 3.38Å; S120-K236 PolarHBondContact OG-O 2.86Å
121I88.3Confident73.9Confident72 Ų7281 Ų8137%0.36950%0.497SS..EExtended strand (participates in β ladder)trans-109.8122.8-178.1-53.1176.9000108.3T138 T233 K234 Y235I121-T138 HydrophobicContact CD1-CG2 3.91Å; I121-T233 HydrophobicContact CG2-CG2 3.64Å; I121-K234 WeakPolarHBondContact CA-O 3.43Å; I121-Y235 HydrophobicContact CD1-CD1 4.1Å; I121-Y235 HydrophobicContact CD1-CE1 3.66Å; I121-Y235 HydrophobicContact CG1-CD1 3.76Å; I121-Y235 HydrophobicContact CG1-CE1 3.82Å; I121-Y235 HydrophobicContact CG2-CE1 4.33Å
122A88.3Confident76.4Confident42 Ų4275.5 Ų75.535%0.34747%0.474SS..EExtended strand (participates in β ladder)trans-112.3129.5177.200000110.6T233 K234A122-T233 WeakPolarHBondContact O-CA 3.46Å; A122-K234 PolarHBondContact N-O 2.87Å; A122-K234 PolarHBondContact O-N 3.03Å
123H91.6Very high79.2Confident88 Ų8869.1 Ų69.141%0.40745%0.445SS..EExtended strand (participates in β ladder)trans-107.7143.7175.4-58.9-74000111.3I232 T233H123-I232 CarbonylContact C-O 3.59Å; H123-I232 WeakPolarHBondContact CA-O 3.36Å; H123-T233 PolarHBondContact CE1-OG1 3.31Å; H123-T233 PolarHBondContact ND1-OG1 2.92Å
124S92.2Very high82Confident76 Ų7663.3 Ų63.353%0.53142%0.419SS..EExtended strand (participates in β ladder)trans-139.1131171.6-61.30000108.9R231 I232S124-R231 CarbonylContact O-C 3.56Å; S124-R231 VanDerWaalsContact O-CA 3.22Å; S124-R231 WeakPolarHBondContact O-CA 3.31Å; S124-I232 PolarHBondContact N-O 3.01Å; S124-I232 PolarHBondContact O-N 2.89Å
125A95.7Very high84.4Confident68 Ų6861.6 Ų61.656%0.56241%0.411SS*.EExtended strand (participates in β ladder)trans-135.8148.8-178.400000111.6K230 R231A125-K230 CarbonylContact C-O 3.57Å; A125-K230 VanDerWaalsContact CA-O 3.25Å; A125-K230 WeakPolarHBondContact CA-O 3.44Å; A125-R231 HydrophobicContact CB-CB 4.23Å; A125-R231 HydrophobicContact CB-CG 4.07Å
126S95.4Very high87Confident66 Ų6657.7 Ų57.746%0.46238%0.378SS..EExtended strand (participates in β ladder)trans-144148.2175.153.20000110.2A229 K230S126-A229 CarbonylContact O-C 3.57Å; S126-A229 VanDerWaalsContact O-CA 3.23Å; S126-A229 WeakPolarHBondContact O-CA 3.36Å; S126-K230 PolarHBondContact N-O 3.23Å; S126-K230 PolarHBondContact O-N 2.85Å
127A96.4Very high89.2Confident51 Ų5154.3 Ų54.342%0.42135%0.352SS..EExtended strand (participates in β ladder)trans-147.4135.1172.800000109.5C132 V228 A229A127-C132 HydrophobicContact CB-CB 3.82Å; A127-V228 CarbonylContact C-O 3.53Å; A127-V228 WeakPolarHBondContact CA-O 3.17Å; A127-A229 HydrophobicContact CB-CB 4.12Å
128T94.4Very high90.8Very high126 Ų12653.5 Ų53.577%0.77335%0.345SS*.SBendtrans-97.3-26.7175.9-50.20000110.8V228T128-V228 PolarHBondContact N-O 3.27Å
129G90.5Very high91.9Very high33 Ų3354.3 Ų54.334%0.3434%0.344SS..SBendtrans-114.3-169.6-178.500000113.9I131G129-I131 PolarHBondContact O-N 2.84Å
130P94.8Very high92.9Very high53 Ų5350.9 Ų50.934%0.34432%0.323SS..SBendtrans-70.8-20.1-178.129.4-35.6000113N148P130-N148 PolarHBondContact O-N 3.46Å
131I97.9Very high93.4Very high5 Ų551.7 Ų51.73%0.02632%0.319CS..EExtended strand (participates in β ladder)trans-93.6127.2179.8-50.1-48.5000109.8G129 L145 L146 N147 Q153 M155 L179 L220 A229G129-I131 PolarHBondContact O-N 2.84Å; I131-L145 HydrophobicContact CG2-CB 4.29Å; I131-L145 HydrophobicContact CG2-CD1 4.46Å; I131-L146 WeakPolarHBondContact CA-O 3.14Å; I131-N147 HydrophobicContact CD1-CB 3.44Å; I131-N147 VanDerWaalsContact CD1-CB 3.44Å; I131-N147 VanDerWaalsContact CD1-CG 3.49Å; I131-Q153 HydrophobicContact CD1-CB 3.77Å; I131-Q153 HydrophobicContact CD1-CG 3.9Å; I131-Q153 HydrophobicContact CG1-CB 4.29Å; I131-Q153 HydrophobicContact CG1-CG 3.83Å; I131-M155 HydrophobicContact CG1-SD 4.11Å; I131-M155 HydrophobicContact CG2-CE 4.45Å; I131-L179 HydrophobicContact CD1-CD2 3.94Å; I131-L179 HydrophobicContact CG2-CD2 4.44Å; I131-L220 HydrophobicContact CB-CD2 3.88Å; I131-L220 HydrophobicContact CG2-CD2 3.47Å; I131-L220 VanDerWaalsContact CG2-CD2 3.47Å; I131-A229 WeakPolarHBondContact O-CB 3.12Å
132C97.3Very high93.8Very high32 Ų3249.7 Ų49.722%0.21631%0.307CS..EExtended strand (participates in β ladder)trans-121.7156.4171.4650000111.6A127 D134 L145 L146A127-C132 HydrophobicContact CB-CB 3.82Å; C132-D134 PolarHBondContact O-N 3.36Å; C132-L145 WeakPolarHBondContact O-CA 3.44Å; C132-L146 PolarHBondContact N-O 3.21Å; C132-L146 PolarHBondContact O-N 2.85Å
133I98Very high94.2Very high3 Ų347.7 Ų47.72%0.01529%0.291CS..EExtended strand (participates in β ladder)trans-85.1101.7170.6-50.2-177.4000107.1I136 V143 L145 M218 A229 R231I133-I136 HydrophobicContact CG2-CG1 4.23Å; I133-V143 HydrophobicContact CG2-CG2 3.66Å; I133-L145 HydrophobicContact CB-CD2 4.08Å; I133-L145 HydrophobicContact CG1-CD2 3.68Å; I133-L145 HydrophobicContact CG2-CD2 4.15Å; I133-M218 HydrophobicContact CD1-CB 3.62Å; I133-M218 WeakPolarHBondContact CD1-O 3.5Å; I133-M218 HydrophobicContact CG2-CB 4.33Å; I133-A229 HydrophobicContact CG1-CB 4.14Å; I133-R231 HydrophobicContact CB-CB 3.78Å; I133-R231 HydrophobicContact CD1-CB 4.36Å; I133-R231 HydrophobicContact CG2-CB 3.79Å; I133-R231 VanDerWaalsContact O-CD 3.29Å; I133-R231 WeakPolarHBondContact O-CD 3.21Å; I133-R231 PolarHBondContact O-NH1 3.2Å
134D97.1Very high94.5Very high41 Ų4143.7 Ų43.722%0.21927%0.273CS..EExtended strand (participates in β ladder)trans-79.1-34.3-169.7-175.659000112.7C132 C144 L146 K184 R231C132-D134 PolarHBondContact O-N 3.36Å; D134-C144 PolarHBondContact N-O 2.81Å; D134-L146 HydrophobicContact CB-CB 3.79Å; D134-K184 IonicContact OD1-NZ 3.84Å; D134-K184 WeakPolarHBondContact OD2-CE 3.42Å; D134-K184 IonicContact OD2-NZ 2.66Å; D134-K184 PolarHBondContact OD2-NZ 3.03Å; D134-R231 PolarHBondContact O-NH1 3.3Å; D134-R231 PolarHBondContact O-NH2 3.27Å
135E95.1Very high94.8Very high89 Ų8940.1 Ų40.142%0.41625%0.248SC..EExtended strand (participates in β ladder)trans-154.8145-178.3-164.1174.8168.400111.6F142 V143 C144E135-F142 HydrophobicContact CG-CE2 4.42Å; E135-V143 WeakPolarHBondContact O-CA 3.46Å; E135-V143 WeakPolarHBondContact O-CG2 3.23Å; E135-C144 HydrophobicContact CB-CB 3.93Å; E135-C144 PolarHBondContact N-O 3.43Å; E135-C144 PolarHBondContact O-N 3.28Å
136I94.7Very high94.9Very high5 Ų538.1 Ų38.13%0.02623%0.228CC..EExtended strand (participates in β ladder)trans-124.3123.2166.6-61.6171.1000105.4I133 V143 W210 V216 M218 R231I133-I136 HydrophobicContact CG2-CG1 4.23Å; I136-V143 HydrophobicContact CG1-CG2 4.16Å; I136-W210 HydrophobicContact CG2-CZ2 4.23Å; I136-V216 HydrophobicContact CG2-CG1 4.33Å; I136-M218 HydrophobicContact CD1-CB 3.94Å; I136-M218 HydrophobicContact CD1-CG 3.43Å; I136-M218 VanDerWaalsContact CD1-CG 3.43Å; I136-M218 HydrophobicContact CG1-CB 4.49Å; I136-M218 HydrophobicContact CG1-CG 3.81Å; I136-M218 HydrophobicContact CG2-CE 4.41Å; I136-R231 HydrophobicContact CD1-CB 3.9Å; I136-R231 HydrophobicContact CD1-CG 3.72Å; I136-R231 HydrophobicContact CG1-CG 4.27Å
137D92.9Very high95.1Very high21 Ų2135 Ų3511%0.11221%0.206CC..  trans-63.4134.7178.5-177.247.6000111.2D139 G140 K141 F142D137-D139 VanDerWaalsContact C-N 3.27Å; D137-D139 PolarHBondContact O-N 2.83Å; D137-D139 WeakPolarHBondContact OD2-CB 3.38Å; D137-D139 PolarHBondContact OD2-N 3.08Å; D137-G140 PolarHBondContact O-N 2.79Å; D137-G140 VanDerWaalsContact O-N 3.09Å; D137-G140 PolarHBondContact OD2-N 2.86Å; D137-K141 WeakPolarHBondContact OD2-CA 3.33Å; D137-K141 WeakPolarHBondContact OD2-CB 3.35Å; D137-K141 WeakPolarHBondContact OD2-CG 3.45Å; D137-K141 PolarHBondContact OD2-N 2.79Å; D137-F142 HydrophobicContact CB-CD1 3.56Å; D137-F142 HydrophobicContact CB-CD2 4.23Å; D137-F142 HydrophobicContact CB-CE1 3.55Å; D137-F142 HydrophobicContact CB-CE2 4.22Å; D137-F142 HydrophobicContact CB-CG 3.91Å; D137-F142 HydrophobicContact CB-CZ 3.89Å; D137-F142 VanDerWaalsContact CB-O 3.29Å; D137-F142 WeakPolarHBondContact CB-O 3.43Å; D137-F142 PolarHBondContact N-O 3.48Å; D137-F142 WeakPolarHBondContact OD1-CE1 3.29Å
138T87.6Confident95.1Very high53 Ų5338.6 Ų38.633%0.32522%0.218SC..THydrogen-bonded Turntrans-70.6-26.6-179.5500000112.4I121 G140 S212 Y235I121-T138 HydrophobicContact CD1-CG2 3.91Å; T138-G140 PolarHBondContact O-N 2.86Å; T138-S212 WeakPolarHBondContact O-CA 3.36Å; T138-Y235 VanDerWaalsContact CA-OH 3.31Å; T138-Y235 WeakPolarHBondContact CA-OH 3.37Å; T138-Y235 PolarHBondContact O-OH 3.42Å
139D87.9Confident95.1Very high80 Ų8033.5 Ų33.543%0.42819%0.191SC..THydrogen-bonded Turntrans-84.7-0.4174-65.3-5.1000112.5D137 K141D137-D139 VanDerWaalsContact C-N 3.27Å; D137-D139 PolarHBondContact O-N 2.83Å; D137-D139 WeakPolarHBondContact OD2-CB 3.38Å; D137-D139 PolarHBondContact OD2-N 3.08Å; D139-K141 VanDerWaalsContact C-N 3.35Å; D139-K141 HydrophobicContact CB-CD 4.35Å; D139-K141 HydrophobicContact CB-CG 4.04Å; D139-K141 PolarHBondContact O-N 2.81Å; D139-K141 WeakPolarHBondContact OD2-CE 3.41Å; D139-K141 IonicContact OD2-NZ 2.6Å
140G91.5Very high95.4Very high0 Ų039.8 Ų39.80%022%0.216CC..SBendtrans65.930.5178.100000115.3D137 T138 S209 W210D137-G140 PolarHBondContact O-N 2.79Å; D137-G140 VanDerWaalsContact O-N 3.09Å; D137-G140 PolarHBondContact OD2-N 2.86Å; T138-G140 PolarHBondContact O-N 2.86Å; G140-S209 VanDerWaalsContact O-CA 3.24Å; G140-S209 WeakPolarHBondContact O-CA 3.35Å; G140-S209 WeakPolarHBondContact O-CB 3.46Å; G140-W210 WeakPolarHBondContact O-CZ3 3.41Å; G140-W210 PolarHBondContact O-N 2.65Å
141K94.2Very high95.5Very high81 Ų8145 Ų4535%0.35224%0.236SC..SBendtrans-91.4-25.8179.4-53.4-176.3-153.7-55.20113.2D137 D139 A189 A192D137-K141 WeakPolarHBondContact OD2-CA 3.33Å; D137-K141 WeakPolarHBondContact OD2-CB 3.35Å; D137-K141 WeakPolarHBondContact OD2-CG 3.45Å; D137-K141 PolarHBondContact OD2-N 2.79Å; D139-K141 VanDerWaalsContact C-N 3.35Å; D139-K141 HydrophobicContact CB-CD 4.35Å; D139-K141 HydrophobicContact CB-CG 4.04Å; D139-K141 PolarHBondContact O-N 2.81Å; D139-K141 WeakPolarHBondContact OD2-CE 3.41Å; D139-K141 IonicContact OD2-NZ 2.6Å; K141-A189 WeakPolarHBondContact O-CB 3.39Å; K141-A189 PolarHBondContact O-N 3.24Å; K141-A192 HydrophobicContact CB-CB 4.18Å
142F96.3Very high95.5Very high30 Ų3049.2 Ų49.213%0.13226%0.259CS..EExtended strand (participates in β ladder)trans-154.1165.7-178.870.7-92.6000114.2E135 D137 T186 I187 W188E135-F142 HydrophobicContact CG-CE2 4.42Å; D137-F142 HydrophobicContact CB-CD1 3.56Å; D137-F142 HydrophobicContact CB-CD2 4.23Å; D137-F142 HydrophobicContact CB-CE1 3.55Å; D137-F142 HydrophobicContact CB-CE2 4.22Å; D137-F142 HydrophobicContact CB-CG 3.91Å; D137-F142 HydrophobicContact CB-CZ 3.89Å; D137-F142 VanDerWaalsContact CB-O 3.29Å; D137-F142 WeakPolarHBondContact CB-O 3.43Å; D137-F142 PolarHBondContact N-O 3.48Å; D137-F142 WeakPolarHBondContact OD1-CE1 3.29Å; F142-T186 HydrophobicContact CB-CG2 3.66Å; F142-T186 HydrophobicContact CD2-CG2 3.55Å; F142-T186 HydrophobicContact CE2-CG2 4.42Å; F142-T186 HydrophobicContact CG-CG2 3.75Å; F142-I187 VanDerWaalsContact CA-O 3.27Å; F142-I187 WeakPolarHBondContact CA-O 3.49Å; F142-I187 WeakPolarHBondContact CB-O 3.31Å; F142-W188 HydrophobicContact CB-CD2 3.95Å; F142-W188 HydrophobicContact CB-CE3 3.68Å; F142-W188 HydrophobicContact CB-CG 4.45Å; F142-W188 HydrophobicContact CB-CZ3 4.04Å; F142-W188 AromaticContact CD1-CE3 3.99Å; F142-W188 HydrophobicContact CD1-CE3 3.99Å; F142-W188 AromaticContact CD1-CH2 3.8Å; F142-W188 HydrophobicContact CD1-CH2 3.8Å; F142-W188 AromaticContact CD1-CZ3 3.44Å; F142-W188 HydrophobicContact CD1-CZ3 3.44Å; F142-W188 VanDerWaalsContact CD1-CZ3 3.44Å; F142-W188 HydrophobicContact CE1-CH2 4.27Å; F142-W188 HydrophobicContact CE1-CZ3 4.23Å; F142-W188 HydrophobicContact CG-CE3 4.17Å; F142-W188 HydrophobicContact CG-CH2 4.28Å; F142-W188 HydrophobicContact CG-CZ3 4.01Å
143V97.3Very high95.5Very high0 Ų050 Ų500%026%0.259CS..EExtended strand (participates in β ladder)trans-132.9137.4167.557.30000108.9I133 E135 I136 M160 I187 M218I133-V143 HydrophobicContact CG2-CG2 3.66Å; E135-V143 WeakPolarHBondContact O-CA 3.46Å; E135-V143 WeakPolarHBondContact O-CG2 3.23Å; I136-V143 HydrophobicContact CG1-CG2 4.16Å; V143-M160 HydrophobicContact CG1-CE 3.34Å; V143-M160 HydrophobicContact CG1-SD 3.55Å; V143-M160 VanDerWaalsContact CG1-SD 3.55Å; V143-M160 HydrophobicContact CG2-SD 4.19Å; V143-I187 HydrophobicContact CG1-CB 3.98Å; V143-I187 HydrophobicContact CG1-CD1 4.35Å; V143-I187 PolarHBondContact N-O 2.98Å; V143-I187 PolarHBondContact O-N 2.98Å; V143-M218 HydrophobicContact CB-CE 4.28Å; V143-M218 HydrophobicContact CG2-CG 4.13Å
144C97.8Very high95.5Very high5 Ų552 Ų523%0.03428%0.276CS..EExtended strand (participates in β ladder)trans-110.5131.3-179.6-173.70000110.3D134 E135 V185D134-C144 PolarHBondContact N-O 2.81Å; E135-C144 HydrophobicContact CB-CB 3.93Å; E135-C144 PolarHBondContact N-O 3.43Å; E135-C144 PolarHBondContact O-N 3.28Å; C144-V185 CarbonylContact C-O 3.53Å; C144-V185 WeakPolarHBondContact CA-O 3Å
145L98.3Very high95.5Very high0 Ų050 Ų500%027%0.266CS..EExtended strand (participates in β ladder)trans-106.6145.8170-53.2-176.7000109.6I131 C132 I133 M160 F173 L179 K184 V185 I187 L220I131-L145 HydrophobicContact CG2-CB 4.29Å; I131-L145 HydrophobicContact CG2-CD1 4.46Å; C132-L145 WeakPolarHBondContact O-CA 3.44Å; I133-L145 HydrophobicContact CB-CD2 4.08Å; I133-L145 HydrophobicContact CG1-CD2 3.68Å; I133-L145 HydrophobicContact CG2-CD2 4.15Å; L145-M160 HydrophobicContact CD2-SD 4.41Å; L145-F173 HydrophobicContact CD1-CE1 4.32Å; L145-F173 HydrophobicContact CD1-CE2 4.34Å; L145-F173 HydrophobicContact CD1-CZ 3.52Å; L145-L179 HydrophobicContact CB-CD2 4.48Å; L145-K184 CarbonylContact O-C 3.49Å; L145-K184 WeakPolarHBondContact O-CA 3.43Å; L145-V185 HydrophobicContact CB-CG1 3.82Å; L145-V185 HydrophobicContact CD1-CG1 4.42Å; L145-V185 HydrophobicContact CG-CG1 4.39Å; L145-V185 PolarHBondContact N-O 3.3Å; L145-V185 PolarHBondContact O-N 2.89Å; L145-I187 HydrophobicContact CD1-CD1 4.06Å; L145-I187 HydrophobicContact CG-CD1 4.21Å; L145-L220 HydrophobicContact CD1-CD1 4.42Å
146L98.2Very high95.6Very high27 Ų2749.2 Ų49.214%0.14127%0.267CS..EExtended strand (participates in β ladder)trans-122.8133.4174.5170.266.6000108.8I131 C132 D134 N148 K184I131-L146 WeakPolarHBondContact CA-O 3.14Å; C132-L146 PolarHBondContact N-O 3.21Å; C132-L146 PolarHBondContact O-N 2.85Å; D134-L146 HydrophobicContact CB-CB 3.79Å; L146-N148 HydrophobicContact CD2-CB 4.36Å; L146-N148 HydrophobicContact CG-CB 4.39Å; L146-K184 HydrophobicContact CB-CG 4.15Å; L146-K184 HydrophobicContact CD1-CG 3.64Å; L146-K184 HydrophobicContact CG-CG 4.47Å
147N98.1Very high95.7Very high0 Ų050.9 Ų50.90%029%0.285CS..EExtended strand (participates in β ladder)trans-87.3104.6161.5-176.5-2.5000108.6I131 G149 E151 L179 K180 G182 H183I131-N147 HydrophobicContact CD1-CB 3.44Å; I131-N147 VanDerWaalsContact CD1-CB 3.44Å; I131-N147 VanDerWaalsContact CD1-CG 3.49Å; N147-G149 VanDerWaalsContact C-N 3.34Å; N147-G149 WeakPolarHBondContact OD1-CA 3.5Å; N147-G149 PolarHBondContact OD1-N 2.93Å; N147-E151 PolarHBondContact ND2-O 3.3Å; N147-L179 HydrophobicContact CB-CD2 3.84Å; N147-L179 HydrophobicContact CB-CG 3.75Å; N147-L179 PolarHBondContact ND2-O 3.28Å; N147-K180 WeakPolarHBondContact CB-O 2.93Å; N147-K180 PolarHBondContact ND2-O 3.13Å; N147-G182 WeakPolarHBondContact O-CA 3.21Å; N147-G182 PolarHBondContact O-N 3.01Å; N147-H183 PolarHBondContact N-O 2.93Å
148N96.4Very high95.9Very high127 Ų12751.2 Ų51.268%0.67929%0.285SS*.  trans-94.28.8176.8-164.647.3000112.5P130 L146P130-N148 PolarHBondContact O-N 3.46Å; L146-N148 HydrophobicContact CD2-CB 4.36Å; L146-N148 HydrophobicContact CG-CB 4.39Å
149G94.8Very high96.4Very high19 Ų1951.2 Ų51.220%0.19628%0.281CS..SBendtrans-88.2170.2170.600000112.6N147 A181N147-G149 VanDerWaalsContact C-N 3.34Å; N147-G149 WeakPolarHBondContact OD1-CA 3.5Å; N147-G149 PolarHBondContact OD1-N 2.93Å; G149-A181 WeakPolarHBondContact O-CB 3.27Å
150D96.8Very high96.8Very high165 Ų16547.4 Ų47.488%0.88226%0.261SS*.SBendtrans-88.9-5.7-179.7-58.8-41000113.3A181D150-A181 VanDerWaalsContact C-CB 3.5Å; D150-A181 WeakPolarHBondContact O-CB 3.38Å
151E97.8Very high97.1Very high162 Ų16248.4 Ų48.476%0.75727%0.266SS*.SBendtrans-118.9150.9-178.1-64-171.2167.200112.2N147 Q153N147-E151 PolarHBondContact ND2-O 3.3Å; E151-Q153 PolarHBondContact O-N 3.27Å
152D98Very high97.2Very high94 Ų9444.6 Ų44.650%0.50325%0.25SS..PPolyproline II helixtrans-67127174.5-75.10.2000110.4V178 K180 A181D152-V178 HydrophobicContact CB-CG1 3.9Å; D152-K180 WeakPolarHBondContact OD1-CA 3.44Å; D152-K180 WeakPolarHBondContact OD1-CB 3.45Å; D152-A181 PolarHBondContact OD1-N 2.98Å
153Q97.5Very high97.1Very high48 Ų4845.7 Ų45.722%0.22426%0.257CS..EExtended strand (participates in β ladder)trans-101.8116.2-178.6-178.161.762.300110.8I131 E151 M155 Y158 V178 L179I131-Q153 HydrophobicContact CD1-CB 3.77Å; I131-Q153 HydrophobicContact CD1-CG 3.9Å; I131-Q153 HydrophobicContact CG1-CB 4.29Å; I131-Q153 HydrophobicContact CG1-CG 3.83Å; E151-Q153 PolarHBondContact O-N 3.27Å; Q153-M155 HydrophobicContact CB-SD 4.46Å; Q153-M155 HydrophobicContact CG-SD 3.73Å; Q153-M155 PolarHBondContact O-N 3.46Å; Q153-Y158 PolarHBondContact NE2-OH 3.35Å; Q153-V178 CarbonylContact O-C 3.16Å; Q153-V178 WeakPolarHBondContact O-CA 3.36Å; Q153-L179 PolarHBondContact N-O 2.97Å; Q153-L179 PolarHBondContact O-N 2.77Å
154A97.6Very high96.8Very high45 Ų4546.5 Ų46.537%0.37226%0.262SS..EExtended strand (participates in β ladder)trans-69.9126.2166.800000109.7V156 Y158 V178A154-V156 HydrophobicContact CB-CG1 4.38Å; A154-Y158 WeakPolarHBondContact O-CE2 3.43Å; A154-V178 HydrophobicContact CB-CG2 4.49Å
155M97.3Very high96.1Very high0 Ų049.1 Ų49.10%029%0.29CS..  trans-97.812.7-178-57-62.8-67.900112.6I131 Q153 G157 Y158 F173 Y177 L179 L220I131-M155 HydrophobicContact CG1-SD 4.11Å; I131-M155 HydrophobicContact CG2-CE 4.45Å; Q153-M155 HydrophobicContact CB-SD 4.46Å; Q153-M155 HydrophobicContact CG-SD 3.73Å; Q153-M155 PolarHBondContact O-N 3.46Å; M155-G157 PolarHBondContact O-N 2.86Å; M155-Y158 HydrophobicContact CB-CD2 4.41Å; M155-Y158 HydrophobicContact CE-CD1 3.9Å; M155-Y158 HydrophobicContact CE-CD2 4.49Å; M155-Y158 HydrophobicContact CE-CG 3.88Å; M155-Y158 WeakPolarHBondContact O-CB 3.47Å; M155-Y158 PolarHBondContact O-N 3.04Å; M155-Y158 VanDerWaalsContact O-N 3.08Å; M155-Y158 HydrophobicContact SD-CD2 4.48Å; M155-Y158 HydrophobicContact SD-CG 4.42Å; M155-F173 HydrophobicContact CB-CB 3.86Å; M155-F173 HydrophobicContact CB-CD1 3.95Å; M155-F173 HydrophobicContact CB-CD2 4.25Å; M155-F173 HydrophobicContact CB-CG 3.74Å; M155-F173 HydrophobicContact CE-CD2 4.17Å; M155-F173 HydrophobicContact CE-CE1 4.37Å; M155-F173 HydrophobicContact CE-CE2 3.86Å; M155-F173 HydrophobicContact CE-CZ 3.99Å; M155-F173 HydrophobicContact CG-CD1 4.38Å; M155-F173 VanDerWaalsContact O-CB 3.29Å; M155-F173 WeakPolarHBondContact O-CB 3.41Å; M155-Y177 HydrophobicContact CB-CD1 3.8Å; M155-Y177 HydrophobicContact CG-CD1 3.63Å; M155-Y177 HydrophobicContact CG-CE1 3.96Å; M155-Y177 PolarHBondContact N-O 3.27Å; M155-L179 HydrophobicContact CG-CB 4.2Å; M155-L179 HydrophobicContact SD-CB 4.45Å; M155-L220 HydrophobicContact CE-CD1 4.2Å; M155-L220 HydrophobicContact CE-CD2 4.2Å
156V96.9Very high95.4Very high72 Ų7257.5 Ų57.544%0.43634%0.335SS..THydrogen-bonded Turntrans-58.6126.4177.258.80000110.6A154 Y158 P175 P223A154-V156 HydrophobicContact CB-CG1 4.38Å; V156-Y158 PolarHBondContact O-N 3.21Å; V156-P175 HydrophobicContact CG2-CB 3.93Å; V156-P223 VanDerWaalsContact O-CG 3.24Å; V156-P223 WeakPolarHBondContact O-CG 3.44Å
157G95.7Very high95Very high39 Ų3961 Ų6140%0.40236%0.357SS..THydrogen-bonded Turntrans78.1-2.9-179.300000114.8M155 P223M155-G157 PolarHBondContact O-N 2.86Å; G157-P223 WeakPolarHBondContact O-CA 3.35Å
158Y97.7Very high94.8Very high29 Ų2964 Ų6411%0.11438%0.382CS..  trans-71.3144.7170-76.5-107000110.2Q153 A154 M155 V156 F173 L220 M221 N222 P223 V228Q153-Y158 PolarHBondContact NE2-OH 3.35Å; A154-Y158 WeakPolarHBondContact O-CE2 3.43Å; M155-Y158 HydrophobicContact CB-CD2 4.41Å; M155-Y158 HydrophobicContact CE-CD1 3.9Å; M155-Y158 HydrophobicContact CE-CD2 4.49Å; M155-Y158 HydrophobicContact CE-CG 3.88Å; M155-Y158 WeakPolarHBondContact O-CB 3.47Å; M155-Y158 PolarHBondContact O-N 3.04Å; M155-Y158 VanDerWaalsContact O-N 3.08Å; M155-Y158 HydrophobicContact SD-CD2 4.48Å; M155-Y158 HydrophobicContact SD-CG 4.42Å; V156-Y158 PolarHBondContact O-N 3.21Å; Y158-F173 WeakPolarHBondContact O-CD2 3.48Å; Y158-F173 PolarHBondContact O-N 3.33Å; Y158-L220 HydrophobicContact CD1-CD1 4.16Å; Y158-L220 HydrophobicContact CD1-CD2 4.29Å; Y158-L220 HydrophobicContact CD1-CG 4.11Å; Y158-M221 WeakPolarHBondContact CA-O 3.36Å; Y158-M221 WeakPolarHBondContact CD1-O 3.38Å; Y158-N222 HydrophobicContact CD1-CB 4.46Å; Y158-N222 HydrophobicContact CE1-CB 4Å; Y158-P223 HydrophobicContact CD2-CG 4.09Å; Y158-P223 HydrophobicContact CE2-CG 4.21Å; Y158-V228 HydrophobicContact CD1-CG2 4.47Å; Y158-V228 HydrophobicContact CE1-CG2 4.07Å
159E97.8Very high94.7Very high53 Ų5359 Ų5925%0.24836%0.357CS..EExtended strand (participates in β ladder)trans-130.5131.2177.7-58.1-168.2165.700109.1T170 Y171 K172 M221E159-T170 HydrophobicContact CB-CG2 3.92Å; E159-T170 HydrophobicContact CG-CG2 4.48Å; E159-Y171 CarbonylContact C-O 3.52Å; E159-Y171 WeakPolarHBondContact CA-O 3.23Å; E159-K172 HydrophobicContact CG-CD 4.36Å; E159-K172 HydrophobicContact CG-CG 4.09Å; E159-K172 WeakPolarHBondContact OE1-CD 3.29Å; E159-K172 WeakPolarHBondContact OE1-CE 3.43Å; E159-K172 IonicContact OE1-NZ 3.86Å; E159-K172 PolarHBondContact OE1-NZ 3.41Å; E159-K172 IonicContact OE2-NZ 3.01Å; E159-M221 HydrophobicContact CB-CE 4.13Å; E159-M221 PolarHBondContact N-O 3.48Å; E159-M221 PolarHBondContact O-N 3.08Å
160M97.6Very high94.8Very high0 Ų061.1 Ų61.10%037%0.366CS..EExtended strand (participates in β ladder)trans-102.9119.9173-178.2-177.771.400108.5V143 L145 T170 Y171 F173 I187 W204 V219 L220V143-M160 HydrophobicContact CG1-CE 3.34Å; V143-M160 HydrophobicContact CG1-SD 3.55Å; V143-M160 VanDerWaalsContact CG1-SD 3.55Å; V143-M160 HydrophobicContact CG2-SD 4.19Å; L145-M160 HydrophobicContact CD2-SD 4.41Å; M160-T170 CarbonylContact O-C 3.56Å; M160-T170 WeakPolarHBondContact O-CA 3.04Å; M160-Y171 HydrophobicContact CE-CD1 4.42Å; M160-Y171 HydrophobicContact CE-CG 4.35Å; M160-Y171 PolarHBondContact N-O 2.84Å; M160-Y171 PolarHBondContact O-N 3.14Å; M160-F173 HydrophobicContact CB-CE2 4.45Å; M160-I187 HydrophobicContact CE-CB 4.3Å; M160-I187 HydrophobicContact CE-CD1 3.8Å; M160-I187 HydrophobicContact CE-CG2 4.1Å; M160-I187 HydrophobicContact SD-CD1 3.91Å; M160-W204 HydrophobicContact CE-CE3 4.01Å; M160-W204 HydrophobicContact CE-CZ3 3.69Å; M160-V219 CarbonylContact C-O 3.51Å; M160-V219 WeakPolarHBondContact CA-O 3.37Å; M160-L220 HydrophobicContact CB-CD1 4.29Å
161V97.3Very high94.8Very high20 Ų2054.3 Ų54.312%0.12133%0.328CS..EExtended strand (participates in β ladder)trans-103.6119.9180-175.50000108.6S169 T170 M218 V219 M221V161-S169 WeakPolarHBondContact CA-O 3Å; V161-T170 HydrophobicContact CG2-CG2 4.26Å; V161-M218 CarbonylContact O-C 3.57Å; V161-M218 WeakPolarHBondContact O-CA 3.4Å; V161-V219 HydrophobicContact CB-CB 4.47Å; V161-V219 PolarHBondContact N-O 3.08Å; V161-V219 PolarHBondContact O-N 3.08Å; V161-M221 HydrophobicContact CG2-CE 3.5Å; V161-M221 HydrophobicContact CG2-CG 4.45Å; V161-M221 HydrophobicContact CG2-SD 4.09Å
162Q95.7Very high94.8Very high2 Ų253 Ų531%0.00932%0.32CS..EExtended strand (participates in β ladder)trans-92.9133.6168.5170.5178.26200108.7V164 A168 S169 W204 S217 M218Q162-V164 HydrophobicContact CG-CG2 3.76Å; Q162-A168 CarbonylContact O-C 3.59Å; Q162-A168 VanDerWaalsContact O-CA 3.23Å; Q162-A168 WeakPolarHBondContact O-CA 3.32Å; Q162-S169 PolarHBondContact N-O 3.49Å; Q162-S169 PolarHBondContact O-N 3.18Å; Q162-W204 HydrophobicContact CB-CH2 3.94Å; Q162-W204 HydrophobicContact CB-CZ3 4.21Å; Q162-S217 CarbonylContact C-O 3.6Å; Q162-S217 WeakPolarHBondContact CA-O 3.42Å; Q162-M218 HydrophobicContact CB-CE 4.2Å; Q162-M218 HydrophobicContact CB-SD 3.59Å; Q162-M218 VanDerWaalsContact CB-SD 3.59Å; Q162-M218 HydrophobicContact CG-CE 3.92Å; Q162-M218 HydrophobicContact CG-SD 3.87Å
163N94.5Very high94.7Very high52 Ų5249 Ų4928%0.27830%0.298SS..EExtended strand (participates in β ladder)trans-122124.1163.7-41.6-74.5000109.5V167 A168 S217N163-V167 WeakPolarHBondContact CA-O 3.47Å; N163-A168 WeakPolarHBondContact OD1-CB 3.47Å; N163-S217 WeakPolarHBondContact CB-OG 3.44Å; N163-S217 PolarHBondContact N-O 3.41Å; N163-S217 PolarHBondContact ND2-OG 2.86Å; N163-S217 VanDerWaalsContact ND2-OG 3.08Å; N163-S217 PolarHBondContact O-N 3.06Å
164V91.6Very high94.6Very high17 Ų1750.6 Ų50.610%0.10331%0.311CS..EExtended strand (participates in β ladder)trans-127.1114.7174.4-177.50000106.6Q162 N166 V167 W210 E214 V216Q162-V164 HydrophobicContact CG-CG2 3.76Å; V164-N166 PolarHBondContact O-N 3.25Å; V164-N166 VanDerWaalsContact O-N 3.13Å; V164-V167 PolarHBondContact N-O 2.81Å; V164-V167 PolarHBondContact O-N 3.47Å; V164-W210 HydrophobicContact CG2-CB 4.03Å; V164-W210 HydrophobicContact CG2-CG 4.22Å; V164-E214 HydrophobicContact CG1-CB 4.15Å; V164-E214 VanDerWaalsContact CG1-OE2 3.27Å; V164-E214 WeakPolarHBondContact CG1-OE2 3.41Å; V164-V216 HydrophobicContact CG2-CB 4.39Å; V164-V216 HydrophobicContact CG2-CG1 3.99Å; V164-V216 HydrophobicContact CG2-CG2 4.01Å
165G83.4Confident94.5Very high60 Ų6053.4 Ų53.462%0.61933%0.326SS*.THydrogen-bonded Turntrans53.4-117.7-168.500000112.2
166N83.5Confident94.4Very high177 Ų17762.8 Ų62.895%0.94737%0.367SS*.THydrogen-bonded Turntrans-99.23.4178.8-73.3-16.1000114V164V164-N166 PolarHBondContact O-N 3.25Å; V164-N166 VanDerWaalsContact O-N 3.13Å
167V88.8Confident94.4Very high99 Ų9960.1 Ų60.160%0.635%0.349SS*.EExtended strand (participates in β ladder)trans-103123.9-176.5-1760000109.4N163 V164N163-V167 WeakPolarHBondContact CA-O 3.47Å; V164-V167 PolarHBondContact N-O 2.81Å; V164-V167 PolarHBondContact O-N 3.47Å
168A93.3Very high94.5Very high65 Ų6561.1 Ų61.154%0.53735%0.347SS..EExtended strand (participates in β ladder)trans-107.3133.1173.900000110.6Q162 N163Q162-A168 CarbonylContact O-C 3.59Å; Q162-A168 VanDerWaalsContact O-CA 3.23Å; Q162-A168 WeakPolarHBondContact O-CA 3.32Å; N163-A168 WeakPolarHBondContact OD1-CB 3.47Å
169S95.3Very high94.5Very high21 Ų2159.9 Ų59.915%0.14734%0.343CS..EExtended strand (participates in β ladder)trans-127.9141.4176.7-62.90000109.9V161 Q162 W204 Q207V161-S169 WeakPolarHBondContact CA-O 3Å; Q162-S169 PolarHBondContact N-O 3.49Å; Q162-S169 PolarHBondContact O-N 3.18Å; S169-W204 WeakPolarHBondContact O-CH2 3.31Å; S169-Q207 PolarHBondContact OG-NE2 3.48Å
170T96.9Very high94.5Very high64 Ų6462.8 Ų62.839%0.39335%0.354SS..EExtended strand (participates in β ladder)trans-120.1127.5-176.9-51.50000112.3E159 M160 V161 K172 W204E159-T170 HydrophobicContact CB-CG2 3.92Å; E159-T170 HydrophobicContact CG-CG2 4.48Å; M160-T170 CarbonylContact O-C 3.56Å; M160-T170 WeakPolarHBondContact O-CA 3.04Å; V161-T170 HydrophobicContact CG2-CG2 4.26Å; T170-K172 HydrophobicContact CG2-CG 4.4Å; T170-W204 WeakPolarHBondContact O-CZ2 3.27Å
171Y97.6Very high94.5Very high22 Ų2264.3 Ų64.39%0.08637%0.367CS..EExtended strand (participates in β ladder)trans-101133.1170.3-179.1-98.5000109.8E159 M160 F173 I187 L202 W204E159-Y171 CarbonylContact C-O 3.52Å; E159-Y171 WeakPolarHBondContact CA-O 3.23Å; M160-Y171 HydrophobicContact CE-CD1 4.42Å; M160-Y171 HydrophobicContact CE-CG 4.35Å; M160-Y171 PolarHBondContact N-O 2.84Å; M160-Y171 PolarHBondContact O-N 3.14Å; Y171-F173 HydrophobicContact CD1-CD2 4.48Å; Y171-F173 HydrophobicContact CD1-CE2 4.26Å; Y171-F173 HydrophobicContact CD1-CZ 4.25Å; Y171-F173 AromaticContact CE1-CD1 3.99Å; Y171-F173 HydrophobicContact CE1-CD1 3.99Å; Y171-F173 HydrophobicContact CE1-CD2 4.47Å; Y171-F173 AromaticContact CE1-CE1 3.95Å; Y171-F173 HydrophobicContact CE1-CE1 3.95Å; Y171-F173 HydrophobicContact CE1-CE2 4.43Å; Y171-F173 HydrophobicContact CE1-CG 4.24Å; Y171-F173 HydrophobicContact CE1-CZ 4.14Å; Y171-I187 HydrophobicContact CD1-CD1 4.41Å; Y171-I187 HydrophobicContact CD1-CG2 4.37Å; Y171-I187 HydrophobicContact CD2-CG2 4.05Å; Y171-I187 HydrophobicContact CE1-CD1 4.34Å; Y171-I187 HydrophobicContact CE1-CG1 4.18Å; Y171-I187 HydrophobicContact CE1-CG2 4.34Å; Y171-I187 HydrophobicContact CE2-CG2 4.01Å; Y171-I187 HydrophobicContact CG-CG2 4.24Å; Y171-L202 WeakPolarHBondContact OH-CD1 3.46Å; Y171-W204 HydrophobicContact CD2-CB 3.9Å; Y171-W204 AromaticContact CD2-CD1 3.89Å; Y171-W204 AromaticContact CD2-CD2 3.76Å; Y171-W204 HydrophobicContact CD2-CD2 3.76Å; Y171-W204 HydrophobicContact CD2-CE3 4.28Å; Y171-W204 AromaticContact CD2-CG 3.57Å; Y171-W204 HydrophobicContact CD2-CG 3.57Å; Y171-W204 HydrophobicContact CE2-CB 4.24Å; Y171-W204 HydrophobicContact CE2-CG 4.35Å; Y171-W204 HydrophobicContact CG-CD2 4.15Å; Y171-W204 HydrophobicContact CG-CE3 4.32Å; Y171-W204 HydrophobicContact CG-CG 4.42Å
172K96.9Very high94.5Very high133 Ų13366 Ų6658%0.57839%0.389SS*.EExtended strand (participates in β ladder)trans-114.3129.4177.9-54.7-163.8-176.2-1510110.3E159 T170E159-K172 HydrophobicContact CG-CD 4.36Å; E159-K172 HydrophobicContact CG-CG 4.09Å; E159-K172 WeakPolarHBondContact OE1-CD 3.29Å; E159-K172 WeakPolarHBondContact OE1-CE 3.43Å; E159-K172 IonicContact OE1-NZ 3.86Å; E159-K172 PolarHBondContact OE1-NZ 3.41Å; E159-K172 IonicContact OE2-NZ 3.01Å; T170-K172 HydrophobicContact CG2-CG 4.4Å
173F96.9Very high94.6Very high11 Ų1170.4 Ų70.45%0.04841%0.409CS..  trans-69.9147.4176-70.2-87000111.1L145 M155 Y158 M160 Y171 Y177 I187 L202 L220L145-F173 HydrophobicContact CD1-CE1 4.32Å; L145-F173 HydrophobicContact CD1-CE2 4.34Å; L145-F173 HydrophobicContact CD1-CZ 3.52Å; M155-F173 HydrophobicContact CB-CB 3.86Å; M155-F173 HydrophobicContact CB-CD1 3.95Å; M155-F173 HydrophobicContact CB-CD2 4.25Å; M155-F173 HydrophobicContact CB-CG 3.74Å; M155-F173 HydrophobicContact CE-CD2 4.17Å; M155-F173 HydrophobicContact CE-CE1 4.37Å; M155-F173 HydrophobicContact CE-CE2 3.86Å; M155-F173 HydrophobicContact CE-CZ 3.99Å; M155-F173 HydrophobicContact CG-CD1 4.38Å; M155-F173 VanDerWaalsContact O-CB 3.29Å; M155-F173 WeakPolarHBondContact O-CB 3.41Å; Y158-F173 WeakPolarHBondContact O-CD2 3.48Å; Y158-F173 PolarHBondContact O-N 3.33Å; M160-F173 HydrophobicContact CB-CE2 4.45Å; Y171-F173 HydrophobicContact CD1-CD2 4.48Å; Y171-F173 HydrophobicContact CD1-CE2 4.26Å; Y171-F173 HydrophobicContact CD1-CZ 4.25Å; Y171-F173 AromaticContact CE1-CD1 3.99Å; Y171-F173 HydrophobicContact CE1-CD1 3.99Å; Y171-F173 HydrophobicContact CE1-CD2 4.47Å; Y171-F173 AromaticContact CE1-CE1 3.95Å; Y171-F173 HydrophobicContact CE1-CE1 3.95Å; Y171-F173 HydrophobicContact CE1-CE2 4.43Å; Y171-F173 HydrophobicContact CE1-CG 4.24Å; Y171-F173 HydrophobicContact CE1-CZ 4.14Å; F173-Y177 AromaticContact CD1-CD1 3.75Å; F173-Y177 HydrophobicContact CD1-CD1 3.75Å; F173-Y177 HydrophobicContact CD1-CE1 4.17Å; F173-Y177 HydrophobicContact CD1-CG 4.32Å; F173-Y177 HydrophobicContact CE1-CD1 4.34Å; F173-Y177 HydrophobicContact CE1-CE1 4.31Å; F173-I187 HydrophobicContact CE1-CD1 4.16Å; F173-I187 HydrophobicContact CZ-CD1 3.91Å; F173-L202 HydrophobicContact CD1-CD1 4.35Å; F173-L202 HydrophobicContact CE1-CD1 4.29Å; F173-L220 HydrophobicContact CE2-CD1 3.91Å
174T95.3Very high94.8Very high82 Ų8273 Ų7350%0.50342%0.417SS..  trans-69.7147.317571.20000110.4K176 Y177T174-K176 PolarHBondContact O-N 2.8Å; T174-Y177 WeakPolarHBondContact O-CB 3.41Å; T174-Y177 PolarHBondContact O-N 3.23Å
175P94.1Very high95.1Very high104 Ų10472.1 Ų72.168%0.67541%0.413SS*.THydrogen-bonded Turntrans-61.3-16.9-175.5-26.534.6000116V156V156-P175 HydrophobicContact CG2-CB 3.93Å
176K94.9Very high95.8Very high197 Ų19770.5 Ų70.586%0.85739%0.39SS*.THydrogen-bonded Turntrans-99.3-1.5179.6-63.5-175.6179.3-179.40113.1T174T174-K176 PolarHBondContact O-N 2.8Å
177Y97.4Very high96.5Very high15 Ų1562.1 Ų62.16%0.05935%0.346CS..  trans-75.7128.5-175.6-170.5-93.3000111M155 F173 T174 L179 V185 P199 L202M155-Y177 HydrophobicContact CB-CD1 3.8Å; M155-Y177 HydrophobicContact CG-CD1 3.63Å; M155-Y177 HydrophobicContact CG-CE1 3.96Å; M155-Y177 PolarHBondContact N-O 3.27Å; F173-Y177 AromaticContact CD1-CD1 3.75Å; F173-Y177 HydrophobicContact CD1-CD1 3.75Å; F173-Y177 HydrophobicContact CD1-CE1 4.17Å; F173-Y177 HydrophobicContact CD1-CG 4.32Å; F173-Y177 HydrophobicContact CE1-CD1 4.34Å; F173-Y177 HydrophobicContact CE1-CE1 4.31Å; T174-Y177 WeakPolarHBondContact O-CB 3.41Å; T174-Y177 PolarHBondContact O-N 3.23Å; Y177-L179 HydrophobicContact CE1-CB 4.09Å; Y177-V185 HydrophobicContact CE1-CG1 4.41Å; Y177-V185 HydrophobicContact CE2-CG2 4.45Å; Y177-V185 WeakPolarHBondContact OH-CB 3.36Å; Y177-V185 WeakPolarHBondContact OH-CG2 3.22Å; Y177-P199 HydrophobicContact CE2-CB 3.87Å; Y177-P199 WeakPolarHBondContact CE2-O 3.47Å; Y177-P199 PolarHBondContact OH-O 2.81Å; Y177-L202 HydrophobicContact CD2-CD1 4.09Å; Y177-L202 HydrophobicContact CD2-CD2 4.32Å; Y177-L202 HydrophobicContact CE2-CD1 3.8Å; Y177-L202 HydrophobicContact CE2-CD2 4.06Å; Y177-L202 HydrophobicContact CE2-CG 4.29Å
178V97.8Very high96.9Very high61 Ų6159.7 Ų59.737%0.3733%0.326SS..EExtended strand (participates in β ladder)trans-128.5124.3177.5179.70000107.9D152 Q153 A154D152-V178 HydrophobicContact CB-CG1 3.9Å; Q153-V178 CarbonylContact O-C 3.16Å; Q153-V178 WeakPolarHBondContact O-CA 3.36Å; A154-V178 HydrophobicContact CB-CG2 4.49Å
179L97.9Very high97.1Very high3 Ų356.7 Ų56.72%0.01630%0.301CS..EExtended strand (participates in β ladder)trans-93.7109.5173.5-173.158.7000108.8I131 L145 N147 Q153 M155 Y177 H183 V185I131-L179 HydrophobicContact CD1-CD2 3.94Å; I131-L179 HydrophobicContact CG2-CD2 4.44Å; L145-L179 HydrophobicContact CB-CD2 4.48Å; N147-L179 HydrophobicContact CB-CD2 3.84Å; N147-L179 HydrophobicContact CB-CG 3.75Å; N147-L179 PolarHBondContact ND2-O 3.28Å; Q153-L179 PolarHBondContact N-O 2.97Å; Q153-L179 PolarHBondContact O-N 2.77Å; M155-L179 HydrophobicContact CG-CB 4.2Å; M155-L179 HydrophobicContact SD-CB 4.45Å; Y177-L179 HydrophobicContact CE1-CB 4.09Å; L179-H183 HydrophobicContact CD1-CB 4.32Å; L179-V185 HydrophobicContact CD1-CB 3.95Å; L179-V185 HydrophobicContact CD1-CG1 3.81Å; L179-V185 HydrophobicContact CD2-CG1 3.97Å; L179-V185 HydrophobicContact CG-CG1 4.5Å
180K98Very high97.1Very high114 Ų11458.4 Ų58.450%0.49631%0.313SS..  trans-64.5153-177.1-65.4-170.1174.5-172.60112.6N147 D152 G182 H183N147-K180 WeakPolarHBondContact CB-O 2.93Å; N147-K180 PolarHBondContact ND2-O 3.13Å; D152-K180 WeakPolarHBondContact OD1-CA 3.44Å; D152-K180 WeakPolarHBondContact OD1-CB 3.45Å; K180-G182 PolarHBondContact O-N 3.16Å; K180-H183 HydrophobicContact CB-CB 4.09Å; K180-H183 WeakPolarHBondContact O-CB 3.43Å; K180-H183 PolarHBondContact O-N 3.05Å
181A97.9Very high97Very high32 Ų3259.3 Ų59.326%0.26432%0.315SS..THydrogen-bonded Turntrans-52.9132.1173.700000111.3G149 D150 D152 H183G149-A181 WeakPolarHBondContact O-CB 3.27Å; D150-A181 VanDerWaalsContact C-CB 3.5Å; D150-A181 WeakPolarHBondContact O-CB 3.38Å; D152-A181 PolarHBondContact OD1-N 2.98Å; A181-H183 PolarHBondContact O-CD2 3.43Å; A181-H183 PolarHBondContact O-N 3.04Å; A181-H183 VanDerWaalsContact O-N 3.16Å
182G96.7Very high96.8Very high56 Ų5659.4 Ų59.458%0.57732%0.321SS*.THydrogen-bonded Turntrans69.91.3-178.300000115.9N147 K180N147-G182 WeakPolarHBondContact O-CA 3.21Å; N147-G182 PolarHBondContact O-N 3.01Å; K180-G182 PolarHBondContact O-N 3.16Å
183H97.8Very high96.5Very high94 Ų9456.9 Ų56.944%0.43533%0.333SS..  trans-95.5153.4-178.6-76.7-141.7000112.4N147 L179 K180 A181N147-H183 PolarHBondContact N-O 2.93Å; L179-H183 HydrophobicContact CD1-CB 4.32Å; K180-H183 HydrophobicContact CB-CB 4.09Å; K180-H183 WeakPolarHBondContact O-CB 3.43Å; K180-H183 PolarHBondContact O-N 3.05Å; A181-H183 PolarHBondContact O-CD2 3.43Å; A181-H183 PolarHBondContact O-N 3.04Å; A181-H183 VanDerWaalsContact O-N 3.16Å
184K98Very high96.3Very high105 Ų10559 Ų5946%0.45735%0.346SS..EExtended strand (participates in β ladder)trans-104.7153.4173.4-64.3-173.5-176.1-168.80111.9D134 L145 L146D134-K184 IonicContact OD1-NZ 3.84Å; D134-K184 WeakPolarHBondContact OD2-CE 3.42Å; D134-K184 IonicContact OD2-NZ 2.66Å; D134-K184 PolarHBondContact OD2-NZ 3.03Å; L145-K184 CarbonylContact O-C 3.49Å; L145-K184 WeakPolarHBondContact O-CA 3.43Å; L146-K184 HydrophobicContact CB-CG 4.15Å; L146-K184 HydrophobicContact CD1-CG 3.64Å; L146-K184 HydrophobicContact CG-CG 4.47Å
185V98.3Very high96.1Very high0 Ų059.2 Ų59.20%035%0.351CS..EExtended strand (participates in β ladder)trans-132.8132.8166.856.70000110.4C144 L145 Y177 L179 P199 S200 L202C144-V185 CarbonylContact C-O 3.53Å; C144-V185 WeakPolarHBondContact CA-O 3Å; L145-V185 HydrophobicContact CB-CG1 3.82Å; L145-V185 HydrophobicContact CD1-CG1 4.42Å; L145-V185 HydrophobicContact CG-CG1 4.39Å; L145-V185 PolarHBondContact N-O 3.3Å; L145-V185 PolarHBondContact O-N 2.89Å; Y177-V185 HydrophobicContact CE1-CG1 4.41Å; Y177-V185 HydrophobicContact CE2-CG2 4.45Å; Y177-V185 WeakPolarHBondContact OH-CB 3.36Å; Y177-V185 WeakPolarHBondContact OH-CG2 3.22Å; L179-V185 HydrophobicContact CD1-CB 3.95Å; L179-V185 HydrophobicContact CD1-CG1 3.81Å; L179-V185 HydrophobicContact CD2-CG1 3.97Å; L179-V185 HydrophobicContact CG-CG1 4.5Å; V185-P199 WeakPolarHBondContact CG2-O 3.5Å; V185-S200 WeakPolarHBondContact CA-O 3.36Å; V185-L202 HydrophobicContact CG2-CD1 3.69Å; V185-L202 HydrophobicContact CG2-CG 3.77Å
186T98.2Very high96.1Very high25 Ų2556.9 Ų56.915%0.15334%0.338CS..EExtended strand (participates in β ladder)trans-105126.1177.1-52.20000109.3F142 W188 S200 L202F142-T186 HydrophobicContact CB-CG2 3.66Å; F142-T186 HydrophobicContact CD2-CG2 3.55Å; F142-T186 HydrophobicContact CE2-CG2 4.42Å; F142-T186 HydrophobicContact CG-CG2 3.75Å; T186-W188 HydrophobicContact CG2-CD2 4.02Å; T186-W188 VanDerWaalsContact CG2-CE2 3.45Å; T186-W188 HydrophobicContact CG2-CG 4.3Å; T186-W188 HydrophobicContact CG2-CZ2 3.76Å; T186-S200 PolarHBondContact N-O 2.97Å; T186-L202 PolarHBondContact O-N 2.95Å
187I98.1Very high96Very high1 Ų154.1 Ų54.11%0.00533%0.325CS..EExtended strand (participates in β ladder)trans-105.7109175.3-60136.9000107.1F142 V143 L145 M160 Y171 F173 L202 W204F142-I187 VanDerWaalsContact CA-O 3.27Å; F142-I187 WeakPolarHBondContact CA-O 3.49Å; F142-I187 WeakPolarHBondContact CB-O 3.31Å; V143-I187 HydrophobicContact CG1-CB 3.98Å; V143-I187 HydrophobicContact CG1-CD1 4.35Å; V143-I187 PolarHBondContact N-O 2.98Å; V143-I187 PolarHBondContact O-N 2.98Å; L145-I187 HydrophobicContact CD1-CD1 4.06Å; L145-I187 HydrophobicContact CG-CD1 4.21Å; M160-I187 HydrophobicContact CE-CB 4.3Å; M160-I187 HydrophobicContact CE-CD1 3.8Å; M160-I187 HydrophobicContact CE-CG2 4.1Å; M160-I187 HydrophobicContact SD-CD1 3.91Å; Y171-I187 HydrophobicContact CD1-CD1 4.41Å; Y171-I187 HydrophobicContact CD1-CG2 4.37Å; Y171-I187 HydrophobicContact CD2-CG2 4.05Å; Y171-I187 HydrophobicContact CE1-CD1 4.34Å; Y171-I187 HydrophobicContact CE1-CG1 4.18Å; Y171-I187 HydrophobicContact CE1-CG2 4.34Å; Y171-I187 HydrophobicContact CE2-CG2 4.01Å; Y171-I187 HydrophobicContact CG-CG2 4.24Å; F173-I187 HydrophobicContact CE1-CD1 4.16Å; F173-I187 HydrophobicContact CZ-CD1 3.91Å; I187-L202 WeakPolarHBondContact CA-O 3.24Å; I187-L202 HydrophobicContact CG1-CB 4.24Å; I187-L202 HydrophobicContact CG1-CD1 4.39Å; I187-W204 HydrophobicContact CG2-CB 4.1Å; I187-W204 HydrophobicContact CG2-CE3 4.35Å
188W97.8Very high95.8Very high48 Ų4857.7 Ų57.718%0.18235%0.35CS..EExtended strand (participates in β ladder)trans-90.3143.1-176.8-62.791.6000111.2F142 T186 A192 V194 D201 L202 V203 W204F142-W188 HydrophobicContact CB-CD2 3.95Å; F142-W188 HydrophobicContact CB-CE3 3.68Å; F142-W188 HydrophobicContact CB-CG 4.45Å; F142-W188 HydrophobicContact CB-CZ3 4.04Å; F142-W188 AromaticContact CD1-CE3 3.99Å; F142-W188 HydrophobicContact CD1-CE3 3.99Å; F142-W188 AromaticContact CD1-CH2 3.8Å; F142-W188 HydrophobicContact CD1-CH2 3.8Å; F142-W188 AromaticContact CD1-CZ3 3.44Å; F142-W188 HydrophobicContact CD1-CZ3 3.44Å; F142-W188 VanDerWaalsContact CD1-CZ3 3.44Å; F142-W188 HydrophobicContact CE1-CH2 4.27Å; F142-W188 HydrophobicContact CE1-CZ3 4.23Å; F142-W188 HydrophobicContact CG-CE3 4.17Å; F142-W188 HydrophobicContact CG-CH2 4.28Å; F142-W188 HydrophobicContact CG-CZ3 4.01Å; T186-W188 HydrophobicContact CG2-CD2 4.02Å; T186-W188 VanDerWaalsContact CG2-CE2 3.45Å; T186-W188 HydrophobicContact CG2-CG 4.3Å; T186-W188 HydrophobicContact CG2-CZ2 3.76Å; W188-A192 HydrophobicContact CB-CB 4.34Å; W188-A192 HydrophobicContact CE3-CB 3.85Å; W188-V194 HydrophobicContact CD2-CB 4.01Å; W188-V194 HydrophobicContact CD2-CG1 4.2Å; W188-V194 HydrophobicContact CD2-CG2 3.81Å; W188-V194 HydrophobicContact CE3-CB 4.34Å; W188-V194 HydrophobicContact CE3-CG2 3.72Å; W188-V194 HydrophobicContact CG-CB 4.09Å; W188-V194 HydrophobicContact CG-CG1 4.2Å; W188-V194 HydrophobicContact CG-CG2 4.42Å; W188-V194 HydrophobicContact CH2-CG2 4.23Å; W188-V194 HydrophobicContact CZ2-CG2 4.3Å; W188-V194 HydrophobicContact CZ3-CG2 3.94Å; W188-D201 PolarHBondContact NE1-OD1 2.85Å; W188-L202 PolarHBondContact N-O 2.86Å; W188-V203 HydrophobicContact CB-CG2 4.44Å; W188-V203 CarbonylContact O-C 3.54Å; W188-V203 WeakPolarHBondContact O-CA 3.41Å; W188-W204 PolarHBondContact O-N 3.11Å
189A96.6Very high95.6Very high2 Ų258.1 Ų58.12%0.01735%0.354CS..EExtended strand (participates in β ladder)trans-62.1155.3165.400000111K141 D191 A192K141-A189 WeakPolarHBondContact O-CB 3.39Å; K141-A189 PolarHBondContact O-N 3.24Å; A189-D191 WeakPolarHBondContact CB-OD1 3.44Å; A189-D191 PolarHBondContact O-N 3.27Å; A189-A192 WeakPolarHBondContact O-CB 3.39Å; A189-A192 PolarHBondContact O-N 2.97Å
190S95.9Very high95.5Very high57 Ų5760.7 Ų60.740%0.39937%0.373SS..THydrogen-bonded Turntrans-63.6-25.7-175.859.40000114.6K205 Q207S190-K205 WeakPolarHBondContact CB-O 3.06Å; S190-Q207 WeakPolarHBondContact CB-O 3.37Å; S190-Q207 PolarHBondContact N-O 2.86Å; S190-Q207 PolarHBondContact OG-O 2.72Å
191D94.6Very high95.4Very high83 Ų8357.1 Ų57.144%0.44436%0.359SS..THydrogen-bonded Turntrans-101.32.6-17861.4-19.6000113.2A189 G193 S209A189-D191 WeakPolarHBondContact CB-OD1 3.44Å; A189-D191 PolarHBondContact O-N 3.27Å; D191-G193 PolarHBondContact O-N 3.49Å; D191-S209 VanDerWaalsContact CG-N 3.3Å; D191-S209 PolarHBondContact OD1-N 3.48Å; D191-S209 WeakPolarHBondContact OD2-CB 3.37Å; D191-S209 PolarHBondContact OD2-N 3.08Å; D191-S209 VanDerWaalsContact OD2-N 3.12Å; D191-S209 PolarHBondContact OD2-OG 3.35Å
192A92.8Very high95.4Very high25 Ų2556.2 Ų56.221%0.20735%0.35CS..SBendtrans-67.4-7179.500000113.9K141 W188 A189 V194K141-A192 HydrophobicContact CB-CB 4.18Å; W188-A192 HydrophobicContact CB-CB 4.34Å; W188-A192 HydrophobicContact CE3-CB 3.85Å; A189-A192 WeakPolarHBondContact O-CB 3.39Å; A189-A192 PolarHBondContact O-N 2.97Å; A192-V194 PolarHBondContact O-N 2.99Å
193G91Very high95.4Very high80 Ų8054.8 Ų54.883%0.82533%0.33SS*.  trans74.59.3-179.800000114.5D191D191-G193 PolarHBondContact O-N 3.49Å
194V93Very high95.3Very high54 Ų5451.2 Ų51.233%0.32731%0.312SS..PPolyproline II helixtrans-97.7134.1-179.3-177.30000110.9W188 A192W188-V194 HydrophobicContact CD2-CB 4.01Å; W188-V194 HydrophobicContact CD2-CG1 4.2Å; W188-V194 HydrophobicContact CD2-CG2 3.81Å; W188-V194 HydrophobicContact CE3-CB 4.34Å; W188-V194 HydrophobicContact CE3-CG2 3.72Å; W188-V194 HydrophobicContact CG-CB 4.09Å; W188-V194 HydrophobicContact CG-CG1 4.2Å; W188-V194 HydrophobicContact CG-CG2 4.42Å; W188-V194 HydrophobicContact CH2-CG2 4.23Å; W188-V194 HydrophobicContact CZ2-CG2 4.3Å; W188-V194 HydrophobicContact CZ3-CG2 3.94Å; A192-V194 PolarHBondContact O-N 2.99Å
195S91.3Very high95Very high88 Ų8854 Ų5462%0.61533%0.325SS*.PPolyproline II helixtrans-82.8137.1172.3-169.50000110.8K197S195-K197 PolarHBondContact O-N 2.92Å
196S93.5Very high94.6Very high55 Ų5561.4 Ų61.439%0.38536%0.364SS..PPolyproline II helixtrans-61.1124.5177.9-173.70000111.7
197K94.3Very high94.3Very high138 Ų13861.9 Ų61.960%0.637%0.365SS*.BIsolated β-bridgetrans-13377.9177.5-63.5173.1-173170.70110.3S195 S200 D201S195-K197 PolarHBondContact O-N 2.92Å; K197-S200 PolarHBondContact O-N 2.95Å; K197-D201 CarbonylContact C-O 3.5Å; K197-D201 HydrophobicContact CB-CB 4.15Å; K197-D201 PolarHBondContact N-O 2.6Å; K197-D201 PolarHBondContact O-N 2.77Å
198P92.2Very high94Very high90 Ų9065 Ų6558%0.58439%0.386SS*.THydrogen-bonded Turntrans-61143.7177.8-21.533.1000111.9L202P198-L202 HydrophobicContact CB-CD2 4.09Å; P198-L202 HydrophobicContact CG-CD2 4.02Å
199P93.6Very high93.7Very high70 Ų7064.6 Ų64.646%0.45539%0.391SS..THydrogen-bonded Turncis-87.7-18.6734.1-34.6000114.4Y177 V185Y177-P199 HydrophobicContact CE2-CB 3.87Å; Y177-P199 WeakPolarHBondContact CE2-O 3.47Å; Y177-P199 PolarHBondContact OH-O 2.81Å; V185-P199 WeakPolarHBondContact CG2-O 3.5Å
200S95.2Very high93.2Very high58 Ų5865.7 Ų65.741%0.40640%0.395SS..THydrogen-bonded Turntrans-72.1-37.6-168.5-600000114.2V185 T186 K197V185-S200 WeakPolarHBondContact CA-O 3.36Å; T186-S200 PolarHBondContact N-O 2.97Å; K197-S200 PolarHBondContact O-N 2.95Å
201D96.8Very high92.4Very high39 Ų3964.7 Ų64.721%0.20939%0.393CS..EExtended strand (participates in β ladder)trans-121.3118.1-177.2-60.5-73.1000110.6W188 K197W188-D201 PolarHBondContact NE1-OD1 2.85Å; K197-D201 CarbonylContact C-O 3.5Å; K197-D201 HydrophobicContact CB-CB 4.15Å; K197-D201 PolarHBondContact N-O 2.6Å; K197-D201 PolarHBondContact O-N 2.77Å
202L97.3Very high91.7Very high12 Ų1264.9 Ų64.96%0.06340%0.401CS..EExtended strand (participates in β ladder)trans-114.2152.3174.9-55.8-179.4000109.6Y171 F173 Y177 V185 T186 I187 W188 P198Y171-L202 WeakPolarHBondContact OH-CD1 3.46Å; F173-L202 HydrophobicContact CD1-CD1 4.35Å; F173-L202 HydrophobicContact CE1-CD1 4.29Å; Y177-L202 HydrophobicContact CD2-CD1 4.09Å; Y177-L202 HydrophobicContact CD2-CD2 4.32Å; Y177-L202 HydrophobicContact CE2-CD1 3.8Å; Y177-L202 HydrophobicContact CE2-CD2 4.06Å; Y177-L202 HydrophobicContact CE2-CG 4.29Å; V185-L202 HydrophobicContact CG2-CD1 3.69Å; V185-L202 HydrophobicContact CG2-CG 3.77Å; T186-L202 PolarHBondContact O-N 2.95Å; I187-L202 WeakPolarHBondContact CA-O 3.24Å; I187-L202 HydrophobicContact CG1-CB 4.24Å; I187-L202 HydrophobicContact CG1-CD1 4.39Å; W188-L202 PolarHBondContact N-O 2.86Å; P198-L202 HydrophobicContact CB-CD2 4.09Å; P198-L202 HydrophobicContact CG-CD2 4.02Å
203V97Very high91Very high27 Ų2765.6 Ų65.616%0.16441%0.411CS..EExtended strand (participates in β ladder)trans-118.4127.4178.2177.90000110.3W188 K205W188-V203 HydrophobicContact CB-CG2 4.44Å; W188-V203 CarbonylContact O-C 3.54Å; W188-V203 WeakPolarHBondContact O-CA 3.41Å; V203-K205 HydrophobicContact CG1-CG 4.34Å; V203-K205 PolarHBondContact O-N 3.06Å; V203-K205 VanDerWaalsContact O-N 3.16Å
204W96.6Very high90.8Very high18 Ų1867.3 Ų67.37%0.06840%0.398CS..EExtended strand (participates in β ladder)trans-82.881.6171.6-163.7-19.6000109.9M160 Q162 S169 T170 Y171 I187 W188 N206 Q207M160-W204 HydrophobicContact CE-CE3 4.01Å; M160-W204 HydrophobicContact CE-CZ3 3.69Å; Q162-W204 HydrophobicContact CB-CH2 3.94Å; Q162-W204 HydrophobicContact CB-CZ3 4.21Å; S169-W204 WeakPolarHBondContact O-CH2 3.31Å; T170-W204 WeakPolarHBondContact O-CZ2 3.27Å; Y171-W204 HydrophobicContact CD2-CB 3.9Å; Y171-W204 AromaticContact CD2-CD1 3.89Å; Y171-W204 AromaticContact CD2-CD2 3.76Å; Y171-W204 HydrophobicContact CD2-CD2 3.76Å; Y171-W204 HydrophobicContact CD2-CE3 4.28Å; Y171-W204 AromaticContact CD2-CG 3.57Å; Y171-W204 HydrophobicContact CD2-CG 3.57Å; Y171-W204 HydrophobicContact CE2-CB 4.24Å; Y171-W204 HydrophobicContact CE2-CG 4.35Å; Y171-W204 HydrophobicContact CG-CD2 4.15Å; Y171-W204 HydrophobicContact CG-CE3 4.32Å; Y171-W204 HydrophobicContact CG-CG 4.42Å; I187-W204 HydrophobicContact CG2-CB 4.1Å; I187-W204 HydrophobicContact CG2-CE3 4.35Å; W188-W204 PolarHBondContact O-N 3.11Å; W204-N206 PolarHBondContact O-N 3.26Å; W204-Q207 HydrophobicContact CB-CB 4.22Å; W204-Q207 HydrophobicContact CD2-CB 3.63Å; W204-Q207 HydrophobicContact CD2-CG 4.07Å; W204-Q207 HydrophobicContact CE3-CB 4.35Å; W204-Q207 HydrophobicContact CE3-CG 4.32Å; W204-Q207 HydrophobicContact CG-CB 3.54Å; W204-Q207 HydrophobicContact CG-CG 4.44Å; W204-Q207 HydrophobicContact CZ2-CB 4.38Å; W204-Q207 HydrophobicContact CZ2-CG 4.38Å; W204-Q207 PolarHBondContact O-N 3.12Å
205K91.9Very high90.7Very high165 Ų16568.2 Ų68.272%0.71740%0.401SS*.THydrogen-bonded Turntrans-56.2-28-168.8-63.9-175.2178.3-177.60116.2S190 V203S190-K205 WeakPolarHBondContact CB-O 3.06Å; V203-K205 HydrophobicContact CG1-CG 4.34Å; V203-K205 PolarHBondContact O-N 3.06Å; V203-K205 VanDerWaalsContact O-N 3.16Å
206N89.5Confident90.8Very high155 Ų15564.2 Ų64.283%0.82937%0.373SS*.THydrogen-bonded Turntrans-104.113.5-176-60.1-14000112.6W204W204-N206 PolarHBondContact O-N 3.26Å
207Q91.9Very high90.9Very high35 Ų3562.7 Ų62.716%0.16436%0.362CS..  trans-129.1120.6-179.9-17159.6-2.900109.7S169 S190 W204S169-Q207 PolarHBondContact OG-NE2 3.48Å; S190-Q207 WeakPolarHBondContact CB-O 3.37Å; S190-Q207 PolarHBondContact N-O 2.86Å; S190-Q207 PolarHBondContact OG-O 2.72Å; W204-Q207 HydrophobicContact CB-CB 4.22Å; W204-Q207 HydrophobicContact CD2-CB 3.63Å; W204-Q207 HydrophobicContact CD2-CG 4.07Å; W204-Q207 HydrophobicContact CE3-CB 4.35Å; W204-Q207 HydrophobicContact CE3-CG 4.32Å; W204-Q207 HydrophobicContact CG-CB 3.54Å; W204-Q207 HydrophobicContact CG-CG 4.44Å; W204-Q207 HydrophobicContact CZ2-CB 4.38Å; W204-Q207 HydrophobicContact CZ2-CG 4.38Å; W204-Q207 PolarHBondContact O-N 3.12Å
208S91.7Very high91Very high65 Ų6556.1 Ų56.146%0.45533%0.333SS..  trans-76.9168.4168.555.80000110W210S208-W210 PolarHBondContact O-N 2.77Å
209S90.4Very high91.3Very high40 Ų4052.5 Ų52.528%0.2831%0.31SS..  trans-53141.2169.956.90000109.8G140 D191 G211G140-S209 VanDerWaalsContact O-CA 3.24Å; G140-S209 WeakPolarHBondContact O-CA 3.35Å; G140-S209 WeakPolarHBondContact O-CB 3.46Å; D191-S209 VanDerWaalsContact CG-N 3.3Å; D191-S209 PolarHBondContact OD1-N 3.48Å; D191-S209 WeakPolarHBondContact OD2-CB 3.37Å; D191-S209 PolarHBondContact OD2-N 3.08Å; D191-S209 VanDerWaalsContact OD2-N 3.12Å; D191-S209 PolarHBondContact OD2-OG 3.35Å; S209-G211 VanDerWaalsContact C-N 3.31Å
210W87Confident91.5Very high25 Ų2549.2 Ų49.210%0.09529%0.288CS..  trans-94.310.3-175.151.587.5000113.2I136 G140 V164 S208 M218I136-W210 HydrophobicContact CG2-CZ2 4.23Å; G140-W210 WeakPolarHBondContact O-CZ3 3.41Å; G140-W210 PolarHBondContact O-N 2.65Å; V164-W210 HydrophobicContact CG2-CB 4.03Å; V164-W210 HydrophobicContact CG2-CG 4.22Å; S208-W210 PolarHBondContact O-N 2.77Å; W210-M218 HydrophobicContact CD2-CE 4.47Å; W210-M218 HydrophobicContact CH2-CE 3.66Å; W210-M218 HydrophobicContact CZ2-CE 3.42Å; W210-M218 VanDerWaalsContact CZ2-CE 3.42Å; W210-M218 HydrophobicContact CZ3-CE 4.28Å
211G79.5Confident91.6Very high36 Ų3648.9 Ų48.937%0.37128%0.281SS..  trans77.1173.117800000114S209S209-G211 VanDerWaalsContact C-N 3.31Å
212S80Confident91.6Very high87 Ų8747.8 Ų47.861%0.60828%0.275SS*.SBendtrans-104.8148.5177.656.30000110.7T138T138-S212 WeakPolarHBondContact O-CA 3.36Å
213G78.3Confident91.5Very high41 Ų4150.6 Ų50.642%0.42329%0.294SS..SBendtrans91.2-2.2168.800000116.4Y235G213-Y235 WeakPolarHBondContact O-CB 2.97Å
214E85.1Confident91.4Very high115 Ų11556 Ų5654%0.53732%0.317SS..SBendtrans-103.7145.7173.8-68.2-169.8179.700112V164 V216 Y235V164-E214 HydrophobicContact CG1-CB 4.15Å; V164-E214 VanDerWaalsContact CG1-OE2 3.27Å; V164-E214 WeakPolarHBondContact CG1-OE2 3.41Å; E214-V216 VanDerWaalsContact O-CG2 3.31Å; E214-V216 WeakPolarHBondContact O-CG2 3.48Å; E214-V216 PolarHBondContact O-N 2.76Å; E214-Y235 VanDerWaalsContact C-CD2 3.4Å; E214-Y235 WeakPolarHBondContact O-CD2 3.5Å; E214-Y235 WeakPolarHBondContact O-CE2 3.23Å
215D91.1Very high91.2Very high74 Ų7457.7 Ų57.740%0.39634%0.341SS..  trans-59.5123.1174.7-81.516000111T233 K234 Y235D215-T233 WeakPolarHBondContact CA-O 3.28Å; D215-K234 WeakPolarHBondContact OD1-CA 3.39Å; D215-K234 WeakPolarHBondContact OD2-CG 3.3Å; D215-Y235 PolarHBondContact OD1-N 3.06Å
216V93.8Very high91.4Very high4 Ų455.7 Ų55.72%0.02433%0.334CS..EExtended strand (participates in β ladder)trans-117133.4-179.9-176.50000109.4I136 V164 E214 M218 I232 T233I136-V216 HydrophobicContact CG2-CG1 4.33Å; V164-V216 HydrophobicContact CG2-CB 4.39Å; V164-V216 HydrophobicContact CG2-CG1 3.99Å; V164-V216 HydrophobicContact CG2-CG2 4.01Å; E214-V216 VanDerWaalsContact O-CG2 3.31Å; E214-V216 WeakPolarHBondContact O-CG2 3.48Å; E214-V216 PolarHBondContact O-N 2.76Å; V216-M218 HydrophobicContact CG1-CE 3.84Å; V216-M218 HydrophobicContact CG1-CG 4.35Å; V216-M218 HydrophobicContact CG1-SD 4.5Å; V216-I232 CarbonylContact O-C 3.56Å; V216-I232 VanDerWaalsContact O-CA 3.31Å; V216-I232 WeakPolarHBondContact O-CA 3.49Å; V216-T233 PolarHBondContact N-O 3.35Å; V216-T233 PolarHBondContact O-N 2.88Å
217S95.1Very high91.8Very high22 Ų2252.7 Ų52.715%0.15432%0.315CS..EExtended strand (participates in β ladder)trans-119.6135164.469.10000110.9Q162 N163 R231Q162-S217 CarbonylContact C-O 3.6Å; Q162-S217 WeakPolarHBondContact CA-O 3.42Å; N163-S217 WeakPolarHBondContact CB-OG 3.44Å; N163-S217 PolarHBondContact N-O 3.41Å; N163-S217 PolarHBondContact ND2-OG 2.86Å; N163-S217 VanDerWaalsContact ND2-OG 3.08Å; N163-S217 PolarHBondContact O-N 3.06Å; S217-R231 CarbonylContact C-O 3.46Å; S217-R231 WeakPolarHBondContact CA-O 3.41Å
218M97Very high92.1Very high0 Ų052 Ų520%031%0.313CS..EExtended strand (participates in β ladder)trans-115.5131.9172.4-62.1-69-172.900107.6I133 I136 V143 V161 Q162 W210 V216 K230 R231I133-M218 HydrophobicContact CD1-CB 3.62Å; I133-M218 WeakPolarHBondContact CD1-O 3.5Å; I133-M218 HydrophobicContact CG2-CB 4.33Å; I136-M218 HydrophobicContact CD1-CB 3.94Å; I136-M218 HydrophobicContact CD1-CG 3.43Å; I136-M218 VanDerWaalsContact CD1-CG 3.43Å; I136-M218 HydrophobicContact CG1-CB 4.49Å; I136-M218 HydrophobicContact CG1-CG 3.81Å; I136-M218 HydrophobicContact CG2-CE 4.41Å; V143-M218 HydrophobicContact CB-CE 4.28Å; V143-M218 HydrophobicContact CG2-CG 4.13Å; V161-M218 CarbonylContact O-C 3.57Å; V161-M218 WeakPolarHBondContact O-CA 3.4Å; Q162-M218 HydrophobicContact CB-CE 4.2Å; Q162-M218 HydrophobicContact CB-SD 3.59Å; Q162-M218 VanDerWaalsContact CB-SD 3.59Å; Q162-M218 HydrophobicContact CG-CE 3.92Å; Q162-M218 HydrophobicContact CG-SD 3.87Å; W210-M218 HydrophobicContact CD2-CE 4.47Å; W210-M218 HydrophobicContact CH2-CE 3.66Å; W210-M218 HydrophobicContact CZ2-CE 3.42Å; W210-M218 VanDerWaalsContact CZ2-CE 3.42Å; W210-M218 HydrophobicContact CZ3-CE 4.28Å; V216-M218 HydrophobicContact CG1-CE 3.84Å; V216-M218 HydrophobicContact CG1-CG 4.35Å; V216-M218 HydrophobicContact CG1-SD 4.5Å; M218-K230 CarbonylContact O-C 3.56Å; M218-K230 VanDerWaalsContact O-CA 3.25Å; M218-K230 WeakPolarHBondContact O-CA 3.49Å; M218-R231 PolarHBondContact N-O 3.38Å; M218-R231 PolarHBondContact O-N 3.18Å
219V98.1Very high92.4Very high15 Ų1549 Ų499%0.09129%0.292CS..EExtended strand (participates in β ladder)trans-129.3129.1-179.3-177.30000108M160 V161 M221 E227 A229 K230M160-V219 CarbonylContact C-O 3.51Å; M160-V219 WeakPolarHBondContact CA-O 3.37Å; V161-V219 HydrophobicContact CB-CB 4.47Å; V161-V219 PolarHBondContact N-O 3.08Å; V161-V219 PolarHBondContact O-N 3.08Å; V219-M221 HydrophobicContact CG1-CG 4.3Å; V219-E227 HydrophobicContact CG1-CB 4.2Å; V219-E227 HydrophobicContact CG1-CG 3.74Å; V219-A229 CarbonylContact C-O 3.55Å; V219-A229 WeakPolarHBondContact CA-O 3.36Å; V219-K230 HydrophobicContact CG2-CB 4.45Å; V219-K230 HydrophobicContact CG2-CD 4.08Å; V219-K230 HydrophobicContact CG2-CG 4Å
220L98.4Very high92.7Very high0 Ų050.1 Ų50.10%029%0.292CS..EExtended strand (participates in β ladder)trans-99.8122.3172-175.866.8000108.7I131 L145 M155 Y158 M160 F173 V228 A229I131-L220 HydrophobicContact CB-CD2 3.88Å; I131-L220 HydrophobicContact CG2-CD2 3.47Å; I131-L220 VanDerWaalsContact CG2-CD2 3.47Å; L145-L220 HydrophobicContact CD1-CD1 4.42Å; M155-L220 HydrophobicContact CE-CD1 4.2Å; M155-L220 HydrophobicContact CE-CD2 4.2Å; Y158-L220 HydrophobicContact CD1-CD1 4.16Å; Y158-L220 HydrophobicContact CD1-CD2 4.29Å; Y158-L220 HydrophobicContact CD1-CG 4.11Å; M160-L220 HydrophobicContact CB-CD1 4.29Å; F173-L220 HydrophobicContact CE2-CD1 3.91Å; L220-V228 HydrophobicContact CB-CG2 4.17Å; L220-V228 HydrophobicContact CD2-CG2 3.94Å; L220-V228 HydrophobicContact CG-CG2 3.83Å; L220-V228 VanDerWaalsContact O-CG2 3.27Å; L220-V228 WeakPolarHBondContact O-CG2 3.38Å; L220-V228 PolarHBondContact O-N 2.97Å; L220-A229 HydrophobicContact CB-CB 4.09Å; L220-A229 PolarHBondContact N-O 3.21Å; L220-A229 PolarHBondContact O-N 3.14Å
221M97.9Very high93.2Very high52 Ų5251 Ų5126%0.25630%0.296SS..EExtended strand (participates in β ladder)trans-106.3138.7176.1-57.8-170.3-52.800110.4Y158 E159 V161 V219 E226Y158-M221 WeakPolarHBondContact CA-O 3.36Å; Y158-M221 WeakPolarHBondContact CD1-O 3.38Å; E159-M221 HydrophobicContact CB-CE 4.13Å; E159-M221 PolarHBondContact N-O 3.48Å; E159-M221 PolarHBondContact O-N 3.08Å; V161-M221 HydrophobicContact CG2-CE 3.5Å; V161-M221 HydrophobicContact CG2-CG 4.45Å; V161-M221 HydrophobicContact CG2-SD 4.09Å; V219-M221 HydrophobicContact CG1-CG 4.3Å; M221-E226 CarbonylContact C-O 3.49Å; M221-E226 VanDerWaalsContact CA-O 3.27Å; M221-E226 WeakPolarHBondContact CA-O 3.46Å
222N96.3Very high93.9Very high15 Ų1551.5 Ų51.58%0.0829%0.289CS..  trans-77.9170.317271.810000111.2Y158 Q224 G225 E226 V228Y158-N222 HydrophobicContact CD1-CB 4.46Å; Y158-N222 HydrophobicContact CE1-CB 4Å; N222-Q224 PolarHBondContact ND2-OE1 2.95Å; N222-Q224 PolarHBondContact O-N 3.32Å; N222-Q224 WeakPolarHBondContact OD1-CA 3.48Å; N222-Q224 WeakPolarHBondContact OD1-CB 3.33Å; N222-Q224 PolarHBondContact OD1-N 2.92Å; N222-Q224 VanDerWaalsContact OD1-N 3.07Å; N222-Q224 PolarHBondContact OD1-OE1 3.21Å; N222-G225 PolarHBondContact O-N 3.28Å; N222-G225 PolarHBondContact OD1-N 3.34Å; N222-E226 PolarHBondContact N-O 3.09Å; N222-E226 PolarHBondContact ND2-OE2 2.85Å; N222-E226 WeakPolarHBondContact OD1-CB 3.39Å; N222-E226 PolarHBondContact OD1-N 3.15Å; N222-E226 PolarHBondContact OD1-O 2.83Å; N222-V228 HydrophobicContact CB-CG1 3.81Å
223P96.1Very high94.6Very high71 Ų7147.4 Ų47.446%0.46126%0.26SS..THydrogen-bonded Turntrans-58.8-18.5177.2-25.534.4000115.2V156 G157 Y158 G225V156-P223 VanDerWaalsContact O-CG 3.24Å; V156-P223 WeakPolarHBondContact O-CG 3.44Å; G157-P223 WeakPolarHBondContact O-CA 3.35Å; Y158-P223 HydrophobicContact CD2-CG 4.09Å; Y158-P223 HydrophobicContact CE2-CG 4.21Å; P223-G225 VanDerWaalsContact C-N 3.31Å
224Q94.6Very high95.1Very high140 Ų14050.1 Ų50.165%0.65426%0.26SS*.THydrogen-bonded Turntrans-84.2-7.8177.2-59.782.5-18.500112.3N222 E226N222-Q224 PolarHBondContact ND2-OE1 2.95Å; N222-Q224 PolarHBondContact O-N 3.32Å; N222-Q224 WeakPolarHBondContact OD1-CA 3.48Å; N222-Q224 WeakPolarHBondContact OD1-CB 3.33Å; N222-Q224 PolarHBondContact OD1-N 2.92Å; N222-Q224 VanDerWaalsContact OD1-N 3.07Å; N222-Q224 PolarHBondContact OD1-OE1 3.21Å; Q224-E226 HydrophobicContact CB-CG 4.33Å
225G92.8Very high95.2Very high55 Ų5546 Ų4657%0.56724%0.24SC*.SBendtrans8513.9-178.400000114.3N222 P223N222-G225 PolarHBondContact O-N 3.28Å; N222-G225 PolarHBondContact OD1-N 3.34Å; P223-G225 VanDerWaalsContact C-N 3.31Å
226E96Very high94.6Very high122 Ų12248.7 Ų48.757%0.5725%0.248SC*.  trans-92140.6178-52.6172.4150.800110.9M221 N222 Q224 V228M221-E226 CarbonylContact C-O 3.49Å; M221-E226 VanDerWaalsContact CA-O 3.27Å; M221-E226 WeakPolarHBondContact CA-O 3.46Å; N222-E226 PolarHBondContact N-O 3.09Å; N222-E226 PolarHBondContact ND2-OE2 2.85Å; N222-E226 WeakPolarHBondContact OD1-CB 3.39Å; N222-E226 PolarHBondContact OD1-N 3.15Å; N222-E226 PolarHBondContact OD1-O 2.83Å; Q224-E226 HydrophobicContact CB-CG 4.33Å; E226-V228 PolarHBondContact O-N 3.11Å
227E97.4Very high93.7Very high92 Ų9254.4 Ų54.443%0.4328%0.277SS..EExtended strand (participates in β ladder)trans-68.8118.1171.2173.8176.5148.600110.1V219 K230V219-E227 HydrophobicContact CG1-CB 4.2Å; V219-E227 HydrophobicContact CG1-CG 3.74Å; E227-K230 WeakPolarHBondContact OE1-CB 3.24Å; E227-K230 VanDerWaalsContact OE1-CD 3.23Å; E227-K230 WeakPolarHBondContact OE1-CD 3.32Å
228V97.5Very high92Very high21 Ų2155.4 Ų55.413%0.12729%0.287CS..EExtended strand (participates in β ladder)trans-109.8-19.6178.5-670000113.3A127 T128 Y158 L220 N222 E226A127-V228 CarbonylContact C-O 3.53Å; A127-V228 WeakPolarHBondContact CA-O 3.17Å; T128-V228 PolarHBondContact N-O 3.27Å; Y158-V228 HydrophobicContact CD1-CG2 4.47Å; Y158-V228 HydrophobicContact CE1-CG2 4.07Å; L220-V228 HydrophobicContact CB-CG2 4.17Å; L220-V228 HydrophobicContact CD2-CG2 3.94Å; L220-V228 HydrophobicContact CG-CG2 3.83Å; L220-V228 VanDerWaalsContact O-CG2 3.27Å; L220-V228 WeakPolarHBondContact O-CG2 3.38Å; L220-V228 PolarHBondContact O-N 2.97Å; N222-V228 HydrophobicContact CB-CG1 3.81Å; E226-V228 PolarHBondContact O-N 3.11Å
229A97.9Very high89.8Confident1 Ų163.8 Ų63.81%0.00833%0.326CS..EExtended strand (participates in β ladder)trans-154.4151.817000000111.1S126 A127 I131 I133 V219 L220S126-A229 CarbonylContact O-C 3.57Å; S126-A229 VanDerWaalsContact O-CA 3.23Å; S126-A229 WeakPolarHBondContact O-CA 3.36Å; A127-A229 HydrophobicContact CB-CB 4.12Å; I131-A229 WeakPolarHBondContact O-CB 3.12Å; I133-A229 HydrophobicContact CG1-CB 4.14Å; V219-A229 CarbonylContact C-O 3.55Å; V219-A229 WeakPolarHBondContact CA-O 3.36Å; L220-A229 HydrophobicContact CB-CB 4.09Å; L220-A229 PolarHBondContact N-O 3.21Å; L220-A229 PolarHBondContact O-N 3.14Å
230K97.6Very high87.5Confident64 Ų6470.6 Ų70.628%0.27836%0.357SS..EExtended strand (participates in β ladder)trans-147.1145.5176.9177.1171.3-170.7177.10110.5A125 S126 M218 V219 E227 I232A125-K230 CarbonylContact C-O 3.57Å; A125-K230 VanDerWaalsContact CA-O 3.25Å; A125-K230 WeakPolarHBondContact CA-O 3.44Å; S126-K230 PolarHBondContact N-O 3.23Å; S126-K230 PolarHBondContact O-N 2.85Å; M218-K230 CarbonylContact O-C 3.56Å; M218-K230 VanDerWaalsContact O-CA 3.25Å; M218-K230 WeakPolarHBondContact O-CA 3.49Å; V219-K230 HydrophobicContact CG2-CB 4.45Å; V219-K230 HydrophobicContact CG2-CD 4.08Å; V219-K230 HydrophobicContact CG2-CG 4Å; E227-K230 WeakPolarHBondContact OE1-CB 3.24Å; E227-K230 VanDerWaalsContact OE1-CD 3.23Å; E227-K230 WeakPolarHBondContact OE1-CD 3.32Å; K230-I232 HydrophobicContact CG-CG1 4.3Å
231R97.3Very high84.7Confident45 Ų4577.4 Ų77.417%0.1739%0.394CS..EExtended strand (participates in β ladder)trans-141138.8169.3-175.1169.4-171.3135.4-9.8110.1S124 A125 I133 D134 I136 S217 M218S124-R231 CarbonylContact O-C 3.56Å; S124-R231 VanDerWaalsContact O-CA 3.22Å; S124-R231 WeakPolarHBondContact O-CA 3.31Å; A125-R231 HydrophobicContact CB-CB 4.23Å; A125-R231 HydrophobicContact CB-CG 4.07Å; I133-R231 HydrophobicContact CB-CB 3.78Å; I133-R231 HydrophobicContact CD1-CB 4.36Å; I133-R231 HydrophobicContact CG2-CB 3.79Å; I133-R231 VanDerWaalsContact O-CD 3.29Å; I133-R231 WeakPolarHBondContact O-CD 3.21Å; I133-R231 PolarHBondContact O-NH1 3.2Å; D134-R231 PolarHBondContact O-NH1 3.3Å; D134-R231 PolarHBondContact O-NH2 3.27Å; I136-R231 HydrophobicContact CD1-CB 3.9Å; I136-R231 HydrophobicContact CD1-CG 3.72Å; I136-R231 HydrophobicContact CG1-CG 4.27Å; S217-R231 CarbonylContact C-O 3.46Å; S217-R231 WeakPolarHBondContact CA-O 3.41Å; M218-R231 PolarHBondContact N-O 3.38Å; M218-R231 PolarHBondContact O-N 3.18Å
232I94.6Very high82Confident45 Ų4582.2 Ų82.223%0.23142%0.42CS..EExtended strand (participates in β ladder)trans-123.8131.7-179.9-50.2176.1000107H123 S124 V216 K230 K234H123-I232 CarbonylContact C-O 3.59Å; H123-I232 WeakPolarHBondContact CA-O 3.36Å; S124-I232 PolarHBondContact N-O 3.01Å; S124-I232 PolarHBondContact O-N 2.89Å; V216-I232 CarbonylContact O-C 3.56Å; V216-I232 VanDerWaalsContact O-CA 3.31Å; V216-I232 WeakPolarHBondContact O-CA 3.49Å; K230-I232 HydrophobicContact CG-CG1 4.3Å; I232-K234 HydrophobicContact CG2-CG 3.82Å
233T92.9Very high79.8Confident1 Ų190.4 Ų90.41%0.00646%0.458CS..EExtended strand (participates in β ladder)trans-113.2120.1167.9-620000107I121 A122 H123 D215 V216 Y235I121-T233 HydrophobicContact CG2-CG2 3.64Å; A122-T233 WeakPolarHBondContact O-CA 3.46Å; H123-T233 PolarHBondContact CE1-OG1 3.31Å; H123-T233 PolarHBondContact ND1-OG1 2.92Å; D215-T233 WeakPolarHBondContact CA-O 3.28Å; V216-T233 PolarHBondContact N-O 3.35Å; V216-T233 PolarHBondContact O-N 2.88Å; T233-Y235 HydrophobicContact CG2-CD2 4.36Å; T233-Y235 HydrophobicContact CG2-CE2 3.68Å
234K90.1Very high77.1Confident98 Ų9889.1 Ų89.143%0.42646%0.458SS..EExtended strand (participates in β ladder)trans-112.2135.3177.5-61.2-164.8174.3-173.10111.2I121 A122 D215 I232I121-K234 WeakPolarHBondContact CA-O 3.43Å; A122-K234 PolarHBondContact N-O 2.87Å; A122-K234 PolarHBondContact O-N 3.03Å; D215-K234 WeakPolarHBondContact OD1-CA 3.39Å; D215-K234 WeakPolarHBondContact OD2-CG 3.3Å; I232-K234 HydrophobicContact CG2-CG 3.82Å
235Y86.3Confident74.5Confident29 Ų2989.3 Ų89.311%0.11446%0.464CS..EExtended strand (participates in β ladder)trans-105.6120.7176.3-63.8-96000108.6V119 I121 T138 G213 E214 D215 T233V119-Y235 HydrophobicContact CG2-CD1 4.17Å; I121-Y235 HydrophobicContact CD1-CD1 4.1Å; I121-Y235 HydrophobicContact CD1-CE1 3.66Å; I121-Y235 HydrophobicContact CG1-CD1 3.76Å; I121-Y235 HydrophobicContact CG1-CE1 3.82Å; I121-Y235 HydrophobicContact CG2-CE1 4.33Å; T138-Y235 VanDerWaalsContact CA-OH 3.31Å; T138-Y235 WeakPolarHBondContact CA-OH 3.37Å; T138-Y235 PolarHBondContact O-OH 3.42Å; G213-Y235 WeakPolarHBondContact O-CB 2.97Å; E214-Y235 VanDerWaalsContact C-CD2 3.4Å; E214-Y235 WeakPolarHBondContact O-CD2 3.5Å; E214-Y235 WeakPolarHBondContact O-CE2 3.23Å; D215-Y235 PolarHBondContact OD1-N 3.06Å; T233-Y235 HydrophobicContact CG2-CD2 4.36Å; T233-Y235 HydrophobicContact CG2-CE2 3.68Å
236K80.1Confident72.1Confident131 Ų13196.4 Ų96.457%0.5748%0.482SS*.EExtended strand (participates in β ladder)trans-110.7115.2172.7-68.8-178.9-179.1-176.60108V119 S120V119-K236 CarbonylContact C-O 3.6Å; V119-K236 WeakPolarHBondContact CA-O 3.48Å; S120-K236 PolarHBondContact N-O 3Å; S120-K236 PolarHBondContact O-N 2.98Å; S120-K236 WeakPolarHBondContact OG-CB 3.38Å; S120-K236 PolarHBondContact OG-O 2.86Å
237I72.8Confident69.4Low123 Ų12397.2 Ų97.263%0.63149%0.49SS*.EExtended strand (participates in β ladder)trans-78.1121.8165.5-58.1168.8000105.3E239I237-E239 PolarHBondContact O-N 2.99Å
238A60.1Low67.2Low44 Ų44100 Ų10036%0.36451%0.508SS..  trans-64.4115.716500000106.9S118 E240S118-A238 WeakPolarHBondContact O-CB 2.98Å; S118-A238 PolarHBondContact O-N 2.83Å; S118-A238 VanDerWaalsContact O-N 3.14Å; S118-A238 WeakPolarHBondContact OG-CB 3.33Å; A238-E240 PolarHBondContact O-N 2.99Å
239E51.8Low64.5Low176 Ų176109.8 Ų109.882%0.82255%0.545SS*.  trans-63.4119.1165.2-66.6-175.1166.600106.1I237 D241I237-E239 PolarHBondContact O-N 2.99Å; E239-D241 PolarHBondContact O-N 3.2Å; E239-D241 VanDerWaalsContact O-N 3.08Å
240E48Very low61.8Low157 Ų157113.1 Ų113.173%0.73458%0.578SS**  trans-60.9110.2163.8-70.2176.4179.200105.6A238 D242A238-E240 PolarHBondContact O-N 2.99Å; E240-D242 VanDerWaalsContact C-N 3.29Å; E240-D242 PolarHBondContact O-N 3.02Å
241D40.8Very low59Low143 Ų143118.3 Ų118.377%0.76561%0.608SS**  trans-57100.8165.1-78.9-36.4000106.5E239 Q243E239-D241 PolarHBondContact O-N 3.2Å; E239-D241 VanDerWaalsContact O-N 3.08Å; D241-Q243 PolarHBondContact O-N 3.12Å
242D40.6Very low56.7Low153 Ų153125.4 Ų125.482%0.81864%0.643SS**  trans-64.180.4167.1-17135.7000107.5E240 G244E240-D242 VanDerWaalsContact C-N 3.29Å; E240-D242 PolarHBondContact O-N 3.02Å; D242-G244 PolarHBondContact O-N 3.24Å
243Q51.4Low54.4Low187 Ų187127.8 Ų127.887%0.87467%0.669SS**  trans-73.776.2160.4-85.7173.3200107.6D241D241-Q243 PolarHBondContact O-N 3.12Å
244G38.6Very low52.1Low45 Ų45135.1 Ų135.146%0.46471%0.707SS.*  trans-118.691.3168.700000110D242D242-G244 PolarHBondContact O-N 3.24Å
245D40.7Very low49.9Very low144 Ų144139.5 Ų139.577%0.7773%0.729SS**  trans57.781155.8-53.3-29.3000118.3D247D245-D247 VanDerWaalsContact C-N 3.3Å; D245-D247 PolarHBondContact O-N 3.23Å; D245-D247 VanDerWaalsContact O-N 3.11Å
246E42.1Very low47.9Very low203 Ų203147.1 Ų147.195%0.94976%0.762SS**  trans-72.892.6147.6-84.1-170.9165.800108.4D248E246-D248 PolarHBondContact O-N 3.14Å
247D38.3Very low46Very low139 Ų139147 Ų14774%0.74377%0.768SS**  trans-55.8107.8162.8-67.9-30.2000109.3D245 Y249D245-D247 VanDerWaalsContact C-N 3.3Å; D245-D247 PolarHBondContact O-N 3.23Å; D245-D247 VanDerWaalsContact O-N 3.11Å; D247-Y249 VanDerWaalsContact C-N 3.33Å; D247-Y249 PolarHBondContact O-N 3.37Å
248D50.9Low44.6Very low152 Ų152148 Ų14881%0.81377%0.774SS**  trans-52.888.9164.217443.6000110.7E246E246-D248 PolarHBondContact O-N 3.14Å
249Y42.2Very low43.9Very low226 Ų226152.5 Ų152.589%0.88679%0.787SS**  trans-147.198.7162.5-87.5-76.9000111.3D247D247-Y249 VanDerWaalsContact C-N 3.33Å; D247-Y249 PolarHBondContact O-N 3.37Å
250G39.6Very low43.6Very low70 Ų70151.8 Ų151.872%0.72278%0.784SS**  trans121.359.8142.300000118.3
251I40.8Very low43.6Very low174 Ų174151.8 Ų151.889%0.89278%0.784SS**  trans-111.672.8152.4-52.4-171.1000109.4
252E47.7Very low43.7Very low194 Ų194153 Ų15391%0.90778%0.782SS**  trans-144.375.1160.3-83-159.2155.700109.7
253A46.6Very low43.9Very low95 Ų95151.7 Ų151.779%0.78578%0.775SS**SBendtrans-159.5-0.6167.100000117.9
254I45.3Very low43.7Very low154 Ų154146.8 Ų146.879%0.7977%0.767SS**SBendtrans-119.7-8.3-171.2-56.5-178.6000114.2
255E43.2Very low44.1Very low191 Ų191153.4 Ų153.489%0.89379%0.785SS**THydrogen-bonded Turntrans-94.711.1-179.3-140.2175.3-168.300115.5
256K43.4Very low44.4Very low188 Ų188151 Ų15182%0.81779%0.785SS**THydrogen-bonded Turntrans-102.6-9.5174.2-90.7-178.7179167.30116.3
257D40.4Very low44.8Very low130 Ų130145.2 Ų145.270%0.69577%0.773SS**SBendtrans-100-10.1-176.6-105.18.8000115.2
258L44Very low45.6Very low143 Ų143148.3 Ų148.375%0.74978%0.78SS**SBendtrans-91.5-12.2178.6-114.373000115
259Q46Very low45.6Very low139 Ų139153.3 Ų153.365%0.6579%0.787SS**SBendtrans-95.1-13.7179.8-157.661.223.500113.4
260Q45.4Very low45.4Very low161 Ų161146.2 Ų146.275%0.75278%0.783SS**SBendtrans-92-7.1-180-142.1156.144.400114
261Q46.8Very low45.4Very low157 Ų157148.7 Ų148.773%0.73479%0.787SS**SBendtrans-99.5-6.6179.7-145.2176.63.900114.6
262K44.7Very low45.2Very low168 Ų168145.3 Ų145.373%0.7378%0.78SS**SBendtrans-93.4-17.8175.9-86.4-177175.8173.30115.1
263D43.9Very low44.8Very low125 Ų125142.8 Ų142.867%0.66877%0.771SS**SBendtrans-93.9-9.4-179.1-71.2-21.1000114.3
264A47.4Very low44.4Very low84 Ų84150.7 Ų150.769%0.69480%0.795SS**SBendtrans-82.3-13.2178.700000114.4
265H47.9Very low44.4Very low184 Ų184150.6 Ų150.685%0.85280%0.795SS**SBendtrans-103.9-6.6-173.9-112.9-72.3000115.4
266A46.2Very low44.4Very low93 Ų93148.4 Ų148.477%0.76979%0.79SS**SBendtrans-98-10.1-178.300000114.7
267A50.6Low44.5Very low83 Ų83146.2 Ų146.269%0.68679%0.788SS**SBendtrans-114.262.9-174.200000112.9
268K54.3Low44.7Very low204 Ų204147.2 Ų147.289%0.88779%0.794SS**  trans-164.255.4166-112.2165.4-165.5-179.70114.3
269R52Low44.8Very low256 Ų256147.4 Ų147.497%0.96680%0.797SS**  trans-14497.6154.8-68.3-165.9-174.1-159.51.9109.7
270G37.5Very low44.7Very low78 Ų78148 Ų14880%0.80481%0.806SS**  trans175.686.6175.500000114.8
271C39.6Very low44.6Very low121 Ų121147.1 Ų147.182%0.81881%0.81SS**  trans74.3122.5147.5-144.20000121.9
272S36.6Very low44.5Very low104 Ų104146.3 Ų146.373%0.72782%0.816SS**  166.199.9117.2-171.30000108.8
273I39.2Very low44.4Very low141 Ų141144.5 Ų144.572%0.72382%0.823SS**  64.3111.398.8-63164.5000113.7
274M38.1Very low44.5Very low261 Ų261146.3 Ų146.3100%1.28684%0.837SS**  -159.60123.2-96.6-177.5-154.300109

Retrieved 274 of 274 residues in 235.8 ms (Link to these results)